NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24942 | 2k5r | 15847 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -7.313 -24.858 -24.758 2 H2 MET 1 2H MET 1 -8.432 -24.315 -23.616 3 H3 MET 1 3H MET 1 -6.907 -24.837 -23.119 4 HA MET 1 HA MET 1 -7.072 -22.425 -23.080 5 HB2 MET 1 2HB MET 1 -5.204 -23.604 -25.152 6 HB3 MET 1 3HB MET 1 -5.048 -21.976 -24.503 7 HG2 MET 1 2HG MET 1 -3.534 -23.596 -23.431 8 HG3 MET 1 3HG MET 1 -4.644 -22.836 -22.294 9 HE1 MET 1 3HE MET 1 -2.958 -25.484 -21.653 10 HE2 MET 1 1HE MET 1 -4.180 -26.453 -20.831 11 HE3 MET 1 2HE MET 1 -4.059 -24.725 -20.499 12 H ASP 2 H ASP 2 -8.597 -21.045 -23.805 13 HA ASP 2 HA ASP 2 -8.915 -20.697 -26.729 14 HB2 ASP 2 2HB ASP 2 -11.173 -20.662 -24.707 15 HB3 ASP 2 3HB ASP 2 -11.324 -20.486 -26.453 16 H ARG 3 H ARG 3 -7.361 -19.121 -24.794 17 HA ARG 3 HA ARG 3 -8.571 -16.945 -23.656 18 HB2 ARG 3 2HB ARG 3 -6.458 -15.836 -23.658 19 HB3 ARG 3 3HB ARG 3 -6.133 -17.557 -23.513 20 HG2 ARG 3 2HG ARG 3 -5.568 -17.662 -25.889 21 HG3 ARG 3 3HG ARG 3 -5.923 -15.943 -26.054 22 HD2 ARG 3 2HD ARG 3 -4.146 -15.581 -24.247 23 HD3 ARG 3 3HD ARG 3 -3.673 -17.254 -24.546 24 HE ARG 3 HE ARG 3 -3.781 -15.397 -26.804 25 HH11 ARG 3 1HH1 ARG 3 -1.889 -17.313 -24.650 26 HH12 ARG 3 2HH1 ARG 3 -0.443 -17.088 -25.565 27 HH21 ARG 3 1HH2 ARG 3 -1.933 -15.128 -27.962 28 HH22 ARG 3 2HH2 ARG 3 -0.466 -15.872 -27.429 29 H LYS 4 H LYS 4 -7.745 -17.296 -27.091 30 HA LYS 4 HA LYS 4 -8.304 -14.522 -27.688 31 HB2 LYS 4 2HB LYS 4 -7.918 -16.821 -29.619 32 HB3 LYS 4 3HB LYS 4 -7.826 -15.104 -29.999 33 HG2 LYS 4 2HG LYS 4 -5.884 -14.956 -28.399 34 HG3 LYS 4 3HG LYS 4 -5.927 -16.717 -28.301 35 HD2 LYS 4 2HD LYS 4 -4.263 -16.123 -29.915 36 HD3 LYS 4 3HD LYS 4 -5.643 -16.783 -30.794 37 HE2 LYS 4 2HE LYS 4 -6.403 -14.515 -31.317 38 HE3 LYS 4 3HE LYS 4 -5.037 -13.845 -30.423 39 HZ1 LYS 4 3HZ LYS 4 -4.913 -15.486 -32.894 40 HZ2 LYS 4 1HZ LYS 4 -3.559 -14.999 -32.003 41 HZ3 LYS 4 2HZ LYS 4 -4.540 -13.841 -32.748 42 H LEU 5 H LEU 5 -10.119 -17.467 -27.623 43 HA LEU 5 HA LEU 5 -12.360 -16.375 -29.127 44 HB2 LEU 5 2HB LEU 5 -12.002 -18.961 -27.604 45 HB3 LEU 5 3HB LEU 5 -13.502 -18.510 -28.389 46 HG LEU 5 HG LEU 5 -12.307 -20.064 -29.795 47 HD11 LEU 5 1HD1 LEU 5 -13.564 -18.318 -30.935 48 HD12 LEU 5 2HD1 LEU 5 -12.138 -18.777 -31.864 49 HD13 LEU 5 3HD1 LEU 5 -12.141 -17.274 -30.938 50 HD21 LEU 5 3HD2 LEU 5 -10.090 -19.583 -30.706 51 HD22 LEU 5 1HD2 LEU 5 -10.045 -19.684 -28.948 52 HD23 LEU 5 2HD2 LEU 5 -10.000 -18.111 -29.741 53 H LEU 6 H LEU 6 -11.330 -16.712 -25.817 54 HA LEU 6 HA LEU 6 -13.840 -16.134 -24.597 55 HB2 LEU 6 2HB LEU 6 -11.040 -15.739 -23.518 56 HB3 LEU 6 3HB LEU 6 -12.513 -15.678 -22.567 57 HG LEU 6 HG LEU 6 -11.432 -18.119 -23.998 58 HD11 LEU 6 1HD1 LEU 6 -11.028 -18.992 -21.753 59 HD12 LEU 6 2HD1 LEU 6 -11.582 -17.471 -21.052 60 HD13 LEU 6 3HD1 LEU 6 -10.117 -17.510 -22.034 61 HD21 LEU 6 3HD2 LEU 6 -13.224 -19.337 -22.834 62 HD22 LEU 6 1HD2 LEU 6 -13.861 -18.149 -23.968 63 HD23 LEU 6 2HD2 LEU 6 -13.868 -17.807 -22.239 64 H HIS 7 H HIS 7 -14.651 -14.373 -25.789 65 HA HIS 7 HA HIS 7 -13.174 -11.913 -26.010 66 HB2 HIS 7 2HB HIS 7 -16.061 -12.549 -26.664 67 HB3 HIS 7 3HB HIS 7 -15.245 -11.044 -27.074 68 HD1 HIS 7 HD1 HIS 7 -15.892 -14.394 -28.349 69 HD2 HIS 7 HD2 HIS 7 -13.016 -11.458 -28.953 70 HE1 HIS 7 HE1 HIS 7 -14.746 -15.009 -30.493 71 HE2 HIS 7 HE2 HIS 7 -13.017 -13.220 -30.850 72 H LEU 8 H LEU 8 -14.952 -13.262 -23.515 73 HA LEU 8 HA LEU 8 -14.930 -10.706 -22.116 74 HB2 LEU 8 2HB LEU 8 -17.159 -11.104 -21.108 75 HB3 LEU 8 3HB LEU 8 -17.209 -10.779 -22.826 76 HG LEU 8 HG LEU 8 -17.421 -13.567 -21.656 77 HD11 LEU 8 1HD1 LEU 8 -19.829 -13.389 -22.072 78 HD12 LEU 8 2HD1 LEU 8 -19.628 -11.699 -22.537 79 HD13 LEU 8 3HD1 LEU 8 -19.294 -12.203 -20.880 80 HD21 LEU 8 3HD2 LEU 8 -16.681 -13.515 -23.979 81 HD22 LEU 8 1HD2 LEU 8 -18.036 -12.469 -24.407 82 HD23 LEU 8 2HD2 LEU 8 -18.331 -14.125 -23.872 83 H LEU 9 H LEU 9 -13.178 -11.412 -20.926 84 HA LEU 9 HA LEU 9 -13.702 -13.615 -19.019 85 HB2 LEU 9 2HB LEU 9 -11.825 -13.880 -20.742 86 HB3 LEU 9 3HB LEU 9 -10.977 -12.618 -19.875 87 HG LEU 9 HG LEU 9 -11.826 -15.223 -18.583 88 HD11 LEU 9 1HD1 LEU 9 -9.155 -14.511 -19.802 89 HD12 LEU 9 2HD1 LEU 9 -10.297 -15.698 -20.429 90 HD13 LEU 9 3HD1 LEU 9 -9.512 -15.969 -18.875 91 HD21 LEU 9 3HD2 LEU 9 -11.392 -13.431 -16.989 92 HD22 LEU 9 1HD2 LEU 9 -9.835 -13.102 -17.751 93 HD23 LEU 9 2HD2 LEU 9 -10.105 -14.631 -16.916 94 H CYS 10 H CYS 10 -13.857 -13.038 -16.927 95 HA CYS 10 HA CYS 10 -12.349 -10.745 -15.906 96 HB2 CYS 10 2HB CYS 10 -15.351 -10.995 -15.576 97 HB3 CYS 10 3HB CYS 10 -14.335 -9.793 -14.786 98 HG CYS 10 HG CYS 10 -13.610 -9.385 -17.856 99 H SER 11 H SER 11 -11.801 -10.909 -13.742 100 HA SER 11 HA SER 11 -12.697 -13.357 -12.333 101 HB2 SER 11 2HB SER 11 -10.317 -13.443 -13.160 102 HB3 SER 11 3HB SER 11 -9.955 -12.085 -12.096 103 HG SER 11 HG SER 11 -10.707 -13.452 -10.342 104 HA PRO 12 HA PRO 12 -13.852 -10.642 -8.955 105 HB2 PRO 12 2HB PRO 12 -13.343 -12.922 -7.143 106 HB3 PRO 12 3HB PRO 12 -14.851 -12.065 -7.478 107 HG2 PRO 12 2HG PRO 12 -14.429 -14.563 -8.368 108 HG3 PRO 12 3HG PRO 12 -15.342 -13.376 -9.323 109 HD2 PRO 12 2HD PRO 12 -12.482 -14.254 -9.624 110 HD3 PRO 12 3HD PRO 12 -13.716 -13.989 -10.876 111 H ASP 13 H ASP 13 -11.448 -9.800 -9.535 112 HA ASP 13 HA ASP 13 -9.304 -10.392 -7.815 113 HB2 ASP 13 2HB ASP 13 -9.931 -7.820 -9.285 114 HB3 ASP 13 3HB ASP 13 -8.385 -8.188 -8.528 115 H THR 14 H THR 14 -12.134 -8.432 -7.294 116 HA THR 14 HA THR 14 -11.025 -7.120 -4.933 117 HB THR 14 HB THR 14 -13.235 -6.053 -4.694 118 HG1 THR 14 HG1 THR 14 -14.848 -6.459 -6.250 119 HG21 THR 14 3HG2 THR 14 -11.584 -4.986 -6.140 120 HG22 THR 14 1HG2 THR 14 -13.213 -4.746 -6.779 121 HG23 THR 14 2HG2 THR 14 -12.145 -5.945 -7.512 122 H ARG 15 H ARG 15 -12.259 -10.148 -5.511 123 HA ARG 15 HA ARG 15 -13.010 -10.455 -2.678 124 HB2 ARG 15 2HB ARG 15 -14.496 -11.603 -5.049 125 HB3 ARG 15 3HB ARG 15 -14.749 -12.126 -3.386 126 HG2 ARG 15 2HG ARG 15 -15.382 -9.810 -2.786 127 HG3 ARG 15 3HG ARG 15 -15.215 -9.354 -4.481 128 HD2 ARG 15 2HD ARG 15 -16.995 -10.897 -5.097 129 HD3 ARG 15 3HD ARG 15 -17.124 -11.440 -3.421 130 HE ARG 15 HE ARG 15 -17.536 -8.603 -3.951 131 HH11 ARG 15 1HH1 ARG 15 -18.926 -11.668 -3.206 132 HH12 ARG 15 2HH1 ARG 15 -20.430 -10.978 -2.702 133 HH21 ARG 15 1HH2 ARG 15 -19.458 -7.739 -3.293 134 HH22 ARG 15 2HH2 ARG 15 -20.729 -8.786 -2.761 135 H GLN 16 H GLN 16 -10.615 -11.151 -4.518 136 HA GLN 16 HA GLN 16 -10.349 -14.000 -4.113 137 HB2 GLN 16 2HB GLN 16 -7.898 -13.508 -4.757 138 HB3 GLN 16 3HB GLN 16 -9.135 -13.249 -5.974 139 HG2 GLN 16 2HG GLN 16 -7.619 -11.444 -6.118 140 HG3 GLN 16 3HG GLN 16 -9.095 -10.820 -5.394 141 HE21 GLN 16 1HE2 GLN 16 -8.199 -9.113 -4.349 142 HE22 GLN 16 2HE2 GLN 16 -7.089 -9.269 -3.036 143 HA PRO 17 HA PRO 17 -8.955 -14.301 0.027 144 HB2 PRO 17 2HB PRO 17 -6.521 -15.760 -0.893 145 HB3 PRO 17 3HB PRO 17 -7.760 -16.249 0.271 146 HG2 PRO 17 2HG PRO 17 -7.712 -17.310 -2.169 147 HG3 PRO 17 3HG PRO 17 -9.254 -16.900 -1.393 148 HD2 PRO 17 2HD PRO 17 -7.762 -15.430 -3.539 149 HD3 PRO 17 3HD PRO 17 -9.508 -15.697 -3.360 150 H LEU 18 H LEU 18 -8.353 -12.327 0.814 151 HA LEU 18 HA LEU 18 -5.969 -10.935 0.141 152 HB2 LEU 18 2HB LEU 18 -7.751 -10.707 2.575 153 HB3 LEU 18 3HB LEU 18 -6.457 -9.587 2.190 154 HG LEU 18 HG LEU 18 -8.886 -10.060 0.448 155 HD11 LEU 18 1HD1 LEU 18 -9.484 -8.997 2.577 156 HD12 LEU 18 2HD1 LEU 18 -9.657 -7.883 1.221 157 HD13 LEU 18 3HD1 LEU 18 -8.265 -7.753 2.297 158 HD21 LEU 18 3HD2 LEU 18 -6.705 -7.972 0.288 159 HD22 LEU 18 1HD2 LEU 18 -8.133 -8.060 -0.746 160 HD23 LEU 18 2HD2 LEU 18 -6.916 -9.336 -0.812 161 H SER 19 H SER 19 -3.979 -10.837 1.132 162 HA SER 19 HA SER 19 -3.454 -12.707 3.369 163 HB2 SER 19 2HB SER 19 -2.589 -13.670 1.279 164 HB3 SER 19 3HB SER 19 -1.671 -12.199 0.967 165 HG SER 19 HG SER 19 -1.211 -14.240 2.835 166 H LEU 20 H LEU 20 -1.109 -12.184 4.278 167 HA LEU 20 HA LEU 20 -1.157 -9.352 5.002 168 HB2 LEU 20 2HB LEU 20 -0.812 -11.468 6.569 169 HB3 LEU 20 3HB LEU 20 0.864 -11.280 6.102 170 HG LEU 20 HG LEU 20 0.357 -10.218 8.272 171 HD11 LEU 20 1HD1 LEU 20 1.389 -8.054 7.867 172 HD12 LEU 20 2HD1 LEU 20 1.082 -8.221 6.136 173 HD13 LEU 20 3HD1 LEU 20 2.190 -9.329 6.947 174 HD21 LEU 20 3HD2 LEU 20 -1.966 -9.603 7.839 175 HD22 LEU 20 1HD2 LEU 20 -1.436 -8.383 6.679 176 HD23 LEU 20 2HD2 LEU 20 -1.027 -8.215 8.388 177 H LEU 21 H LEU 21 0.370 -7.872 4.395 178 HA LEU 21 HA LEU 21 1.886 -8.398 2.063 179 HB2 LEU 21 2HB LEU 21 0.890 -6.216 2.587 180 HB3 LEU 21 3HB LEU 21 1.995 -6.031 3.934 181 HG LEU 21 HG LEU 21 3.905 -5.967 2.374 182 HD11 LEU 21 1HD1 LEU 21 1.812 -6.104 0.198 183 HD12 LEU 21 2HD1 LEU 21 2.986 -7.360 0.590 184 HD13 LEU 21 3HD1 LEU 21 3.535 -5.807 -0.038 185 HD21 LEU 21 3HD2 LEU 21 1.719 -3.998 1.671 186 HD22 LEU 21 1HD2 LEU 21 3.451 -3.771 1.407 187 HD23 LEU 21 2HD2 LEU 21 2.816 -3.878 3.048 188 H GLU 22 H GLU 22 3.911 -9.036 1.776 189 HA GLU 22 HA GLU 22 5.617 -9.969 3.792 190 HB2 GLU 22 2HB GLU 22 7.353 -9.992 1.966 191 HB3 GLU 22 3HB GLU 22 5.848 -10.810 1.561 192 HG2 GLU 22 2HG GLU 22 5.118 -8.821 0.309 193 HG3 GLU 22 3HG GLU 22 6.645 -8.033 0.694 194 H SER 23 H SER 23 7.756 -9.172 4.438 195 HA SER 23 HA SER 23 7.637 -6.491 5.359 196 HB2 SER 23 2HB SER 23 9.864 -6.874 6.273 197 HB3 SER 23 3HB SER 23 8.868 -8.304 6.533 198 HG SER 23 HG SER 23 10.942 -8.853 5.745 199 H LYS 24 H LYS 24 9.630 -7.994 2.816 200 HA LYS 24 HA LYS 24 11.078 -5.701 2.075 201 HB2 LYS 24 2HB LYS 24 11.606 -8.055 1.398 202 HB3 LYS 24 3HB LYS 24 10.262 -7.990 0.268 203 HG2 LYS 24 2HG LYS 24 12.415 -7.621 -0.840 204 HG3 LYS 24 3HG LYS 24 11.355 -6.218 -0.984 205 HD2 LYS 24 2HD LYS 24 12.566 -5.070 0.777 206 HD3 LYS 24 3HD LYS 24 13.561 -6.498 1.070 207 HE2 LYS 24 2HE LYS 24 13.491 -4.975 -1.538 208 HE3 LYS 24 3HE LYS 24 14.690 -4.718 -0.270 209 HZ1 LYS 24 3HZ LYS 24 15.436 -6.222 -2.066 210 HZ2 LYS 24 1HZ LYS 24 14.236 -7.320 -1.619 211 HZ3 LYS 24 2HZ LYS 24 15.476 -6.940 -0.539 212 H GLY 25 H GLY 25 7.889 -6.833 1.121 213 HA2 GLY 25 2HA GLY 25 7.416 -4.753 -0.802 214 HA3 GLY 25 3HA GLY 25 6.201 -5.798 -0.074 215 H LEU 26 H LEU 26 6.582 -5.217 2.611 216 HA LEU 26 HA LEU 26 4.948 -3.024 3.045 217 HB2 LEU 26 2HB LEU 26 5.329 -4.830 4.668 218 HB3 LEU 26 3HB LEU 26 6.965 -4.260 4.927 219 HG LEU 26 HG LEU 26 6.036 -2.124 5.831 220 HD11 LEU 26 1HD1 LEU 26 3.398 -3.577 5.621 221 HD12 LEU 26 2HD1 LEU 26 3.878 -2.141 4.715 222 HD13 LEU 26 3HD1 LEU 26 3.670 -2.050 6.463 223 HD21 LEU 26 3HD2 LEU 26 6.734 -3.893 7.347 224 HD22 LEU 26 1HD2 LEU 26 5.148 -4.657 7.221 225 HD23 LEU 26 2HD2 LEU 26 5.308 -3.073 7.980 226 H GLU 27 H GLU 27 8.495 -3.208 3.446 227 HA GLU 27 HA GLU 27 8.885 -0.499 4.099 228 HB2 GLU 27 2HB GLU 27 11.206 -0.843 3.674 229 HB3 GLU 27 3HB GLU 27 10.586 -2.343 4.351 230 HG2 GLU 27 2HG GLU 27 10.489 -3.319 2.118 231 HG3 GLU 27 3HG GLU 27 11.069 -1.816 1.422 232 H ALA 28 H ALA 28 8.465 -2.108 1.001 233 HA ALA 28 HA ALA 28 9.444 -0.019 -0.655 234 HB1 ALA 28 3HB ALA 28 9.172 -2.314 -1.458 235 HB2 ALA 28 1HB ALA 28 8.291 -1.173 -2.475 236 HB3 ALA 28 2HB ALA 28 7.420 -2.166 -1.305 237 H LEU 29 H LEU 29 6.217 -0.777 0.611 238 HA LEU 29 HA LEU 29 4.807 1.308 -0.670 239 HB2 LEU 29 2HB LEU 29 4.348 -0.307 1.821 240 HB3 LEU 29 3HB LEU 29 3.315 1.068 1.488 241 HG LEU 29 HG LEU 29 2.303 -1.051 0.762 242 HD11 LEU 29 1HD1 LEU 29 1.687 -0.364 -1.504 243 HD12 LEU 29 2HD1 LEU 29 3.018 0.792 -1.515 244 HD13 LEU 29 3HD1 LEU 29 1.682 0.996 -0.382 245 HD21 LEU 29 3HD2 LEU 29 4.625 -1.224 -1.161 246 HD22 LEU 29 1HD2 LEU 29 3.203 -2.267 -1.163 247 HD23 LEU 29 2HD2 LEU 29 4.316 -2.299 0.204 248 H ASN 30 H ASN 30 6.200 1.174 2.618 249 HA ASN 30 HA ASN 30 5.668 3.821 3.353 250 HB2 ASN 30 2HB ASN 30 7.904 1.978 4.232 251 HB3 ASN 30 3HB ASN 30 7.488 3.493 5.034 252 HD21 ASN 30 1HD2 ASN 30 7.369 0.590 5.825 253 HD22 ASN 30 2HD2 ASN 30 5.771 0.404 6.461 254 H LYS 31 H LYS 31 8.562 2.461 1.790 255 HA LYS 31 HA LYS 31 10.105 4.774 1.574 256 HB2 LYS 31 2HB LYS 31 9.857 2.305 -0.129 257 HB3 LYS 31 3HB LYS 31 10.939 3.610 -0.608 258 HG2 LYS 31 2HG LYS 31 12.207 3.351 1.445 259 HG3 LYS 31 3HG LYS 31 11.072 2.127 2.020 260 HD2 LYS 31 2HD LYS 31 11.700 0.634 0.219 261 HD3 LYS 31 3HD LYS 31 12.733 1.873 -0.493 262 HE2 LYS 31 2HE LYS 31 14.071 0.243 0.715 263 HE3 LYS 31 3HE LYS 31 14.163 1.812 1.497 264 HZ1 LYS 31 3HZ LYS 31 13.912 0.187 3.170 265 HZ2 LYS 31 1HZ LYS 31 12.602 -0.536 2.382 266 HZ3 LYS 31 2HZ LYS 31 12.433 1.002 3.065 267 H ALA 32 H ALA 32 7.598 3.524 -0.609 268 HA ALA 32 HA ALA 32 7.785 5.617 -2.524 269 HB1 ALA 32 3HB ALA 32 5.691 4.722 -3.407 270 HB2 ALA 32 1HB ALA 32 5.481 3.749 -1.952 271 HB3 ALA 32 2HB ALA 32 6.827 3.422 -3.044 272 H ILE 33 H ILE 33 5.943 5.239 0.451 273 HA ILE 33 HA ILE 33 4.192 7.438 0.159 274 HB ILE 33 HB ILE 33 5.325 6.122 2.637 275 HG12 ILE 33 2HG1 ILE 33 2.583 5.977 1.349 276 HG13 ILE 33 3HG1 ILE 33 3.825 4.737 1.239 277 HG21 ILE 33 1HG2 ILE 33 3.141 8.207 2.490 278 HG22 ILE 33 2HG2 ILE 33 4.740 8.423 3.201 279 HG23 ILE 33 3HG2 ILE 33 3.597 7.296 3.930 280 HD11 ILE 33 3HD1 ILE 33 2.142 4.127 2.855 281 HD12 ILE 33 1HD1 ILE 33 2.419 5.622 3.747 282 HD13 ILE 33 2HD1 ILE 33 3.687 4.398 3.658 283 H VAL 34 H VAL 34 7.309 7.219 1.909 284 HA VAL 34 HA VAL 34 7.548 9.977 2.465 285 HB VAL 34 HB VAL 34 9.805 7.987 2.091 286 HG11 VAL 34 1HG1 VAL 34 11.067 9.465 3.586 287 HG12 VAL 34 2HG1 VAL 34 9.705 10.584 3.638 288 HG13 VAL 34 3HG1 VAL 34 10.563 10.311 2.123 289 HG21 VAL 34 3HG2 VAL 34 8.169 7.158 3.707 290 HG22 VAL 34 1HG2 VAL 34 8.250 8.682 4.593 291 HG23 VAL 34 2HG2 VAL 34 9.663 7.628 4.517 292 H SER 35 H SER 35 8.480 8.039 -0.319 293 HA SER 35 HA SER 35 9.858 10.057 -1.765 294 HB2 SER 35 2HB SER 35 10.050 7.695 -2.365 295 HB3 SER 35 3HB SER 35 8.335 7.628 -2.756 296 HG SER 35 HG SER 35 9.662 9.608 -4.110 297 H GLY 36 H GLY 36 6.453 9.330 -1.350 298 HA2 GLY 36 2HA GLY 36 4.664 10.774 -1.713 299 HA3 GLY 36 3HA GLY 36 5.743 11.871 -2.556 300 H THR 37 H THR 37 5.223 8.445 -3.316 301 HA THR 37 HA THR 37 3.945 9.281 -5.858 302 HB THR 37 HB THR 37 6.178 8.385 -6.298 303 HG1 THR 37 HG1 THR 37 3.958 6.802 -7.103 304 HG21 THR 37 3HG2 THR 37 5.198 5.846 -4.983 305 HG22 THR 37 1HG2 THR 37 6.419 6.941 -4.332 306 HG23 THR 37 2HG2 THR 37 6.736 6.051 -5.822 307 H VAL 38 H VAL 38 3.329 7.733 -2.982 308 HA VAL 38 HA VAL 38 1.610 5.641 -3.987 309 HB VAL 38 HB VAL 38 1.829 6.786 -1.190 310 HG11 VAL 38 1HG1 VAL 38 0.420 4.290 -2.151 311 HG12 VAL 38 2HG1 VAL 38 -0.354 5.753 -1.539 312 HG13 VAL 38 3HG1 VAL 38 0.636 4.764 -0.465 313 HG21 VAL 38 3HG2 VAL 38 2.985 4.263 -2.381 314 HG22 VAL 38 1HG2 VAL 38 3.087 4.742 -0.687 315 HG23 VAL 38 2HG2 VAL 38 3.887 5.709 -1.925 316 H GLN 39 H GLN 39 -0.036 6.494 -5.243 317 HA GLN 39 HA GLN 39 -1.800 8.461 -3.950 318 HB2 GLN 39 2HB GLN 39 -2.843 8.717 -6.201 319 HB3 GLN 39 3HB GLN 39 -1.149 9.174 -6.141 320 HG2 GLN 39 2HG GLN 39 -0.522 7.067 -7.181 321 HG3 GLN 39 3HG GLN 39 -2.211 6.561 -7.199 322 HE21 GLN 39 1HE2 GLN 39 -0.382 6.903 -9.439 323 HE22 GLN 39 2HE2 GLN 39 -1.110 8.067 -10.481 324 H ARG 40 H ARG 40 -3.674 7.873 -3.129 325 HA ARG 40 HA ARG 40 -4.517 5.142 -3.125 326 HB2 ARG 40 2HB ARG 40 -6.360 5.937 -1.723 327 HB3 ARG 40 3HB ARG 40 -4.824 6.598 -1.181 328 HG2 ARG 40 2HG ARG 40 -5.352 8.712 -2.345 329 HG3 ARG 40 3HG ARG 40 -6.920 8.040 -2.800 330 HD2 ARG 40 2HD ARG 40 -7.237 9.420 -0.869 331 HD3 ARG 40 3HD ARG 40 -7.424 7.738 -0.375 332 HE ARG 40 HE ARG 40 -5.079 9.432 0.191 333 HH11 ARG 40 1HH1 ARG 40 -7.019 6.671 0.868 334 HH12 ARG 40 2HH1 ARG 40 -6.237 6.352 2.377 335 HH21 ARG 40 1HH2 ARG 40 -4.069 9.006 2.129 336 HH22 ARG 40 2HH2 ARG 40 -4.576 7.652 3.076 337 H ALA 41 H ALA 41 -7.141 4.933 -3.364 338 HA ALA 41 HA ALA 41 -7.690 4.709 -6.055 339 HB1 ALA 41 3HB ALA 41 -10.023 4.381 -5.431 340 HB2 ALA 41 1HB ALA 41 -9.708 5.079 -3.843 341 HB3 ALA 41 2HB ALA 41 -8.947 3.556 -4.303 342 H ASP 42 H ASP 42 -8.433 7.457 -3.946 343 HA ASP 42 HA ASP 42 -9.964 8.963 -5.782 344 HB2 ASP 42 2HB ASP 42 -8.197 10.057 -3.578 345 HB3 ASP 42 3HB ASP 42 -9.616 10.828 -4.281 346 H GLY 43 H GLY 43 -6.552 8.423 -5.550 347 HA2 GLY 43 2HA GLY 43 -5.010 9.022 -7.275 348 HA3 GLY 43 3HA GLY 43 -6.031 10.391 -7.681 349 H SER 44 H SER 44 -6.034 10.538 -4.476 350 HA SER 44 HA SER 44 -3.981 12.577 -4.356 351 HB2 SER 44 2HB SER 44 -5.792 11.539 -2.154 352 HB3 SER 44 3HB SER 44 -4.820 13.011 -2.096 353 HG SER 44 HG SER 44 -6.135 13.465 -4.167 354 H ILE 45 H ILE 45 -2.204 12.595 -2.885 355 HA ILE 45 HA ILE 45 -0.897 10.029 -2.751 356 HB ILE 45 HB ILE 45 0.057 12.752 -1.828 357 HG12 ILE 45 2HG1 ILE 45 -0.372 12.658 -4.248 358 HG13 ILE 45 3HG1 ILE 45 1.354 12.770 -3.924 359 HG21 ILE 45 1HG2 ILE 45 2.316 11.772 -1.860 360 HG22 ILE 45 2HG2 ILE 45 1.614 10.191 -2.203 361 HG23 ILE 45 3HG2 ILE 45 1.270 10.993 -0.671 362 HD11 ILE 45 3HD1 ILE 45 1.556 10.349 -4.311 363 HD12 ILE 45 1HD1 ILE 45 0.934 11.212 -5.714 364 HD13 ILE 45 2HD1 ILE 45 -0.164 10.284 -4.694 365 H GLN 46 H GLN 46 -0.240 8.890 -0.945 366 HA GLN 46 HA GLN 46 -1.584 9.480 1.588 367 HB2 GLN 46 2HB GLN 46 -1.825 7.221 0.761 368 HB3 GLN 46 3HB GLN 46 -0.085 7.054 0.570 369 HG2 GLN 46 2HG GLN 46 0.209 7.148 2.983 370 HG3 GLN 46 3HG GLN 46 -1.528 7.369 3.201 371 HE21 GLN 46 1HE2 GLN 46 -1.696 5.488 4.441 372 HE22 GLN 46 2HE2 GLN 46 -1.575 3.915 3.743 373 H ASN 47 H ASN 47 -0.513 10.101 3.423 374 HA ASN 47 HA ASN 47 2.418 10.432 3.225 375 HB2 ASN 47 2HB ASN 47 0.429 12.034 4.854 376 HB3 ASN 47 3HB ASN 47 2.173 12.289 4.842 377 HD21 ASN 47 1HD2 ASN 47 3.147 13.095 2.943 378 HD22 ASN 47 2HD2 ASN 47 2.222 13.938 1.753 379 H GLN 48 H GLN 48 -0.156 9.102 5.177 380 HA GLN 48 HA GLN 48 1.519 8.667 7.489 381 HB2 GLN 48 2HB GLN 48 -1.247 7.631 6.838 382 HB3 GLN 48 3HB GLN 48 -0.426 7.395 8.374 383 HG2 GLN 48 2HG GLN 48 -1.357 9.995 7.177 384 HG3 GLN 48 3HG GLN 48 -1.973 9.190 8.621 385 HE21 GLN 48 1HE2 GLN 48 -0.636 9.144 10.490 386 HE22 GLN 48 2HE2 GLN 48 0.603 10.326 10.722 387 H SER 49 H SER 49 3.126 7.238 7.337 388 HA SER 49 HA SER 49 3.058 4.897 5.699 389 HB2 SER 49 2HB SER 49 5.181 4.299 6.858 390 HB3 SER 49 3HB SER 49 5.194 5.943 6.222 391 HG SER 49 HG SER 49 5.992 5.648 8.435 392 H LEU 50 H LEU 50 2.929 2.693 6.348 393 HA LEU 50 HA LEU 50 1.517 2.326 8.915 394 HB2 LEU 50 2HB LEU 50 0.342 0.390 7.672 395 HB3 LEU 50 3HB LEU 50 -0.183 2.036 7.392 396 HG LEU 50 HG LEU 50 1.207 2.036 5.283 397 HD11 LEU 50 1HD1 LEU 50 1.841 -0.122 4.322 398 HD12 LEU 50 2HD1 LEU 50 1.379 -0.930 5.821 399 HD13 LEU 50 3HD1 LEU 50 2.727 0.209 5.812 400 HD21 LEU 50 3HD2 LEU 50 -1.017 -0.000 5.465 401 HD22 LEU 50 1HD2 LEU 50 -0.437 0.766 3.985 402 HD23 LEU 50 2HD2 LEU 50 -1.215 1.738 5.237 403 H HIS 51 H HIS 51 1.592 0.193 9.864 404 HA HIS 51 HA HIS 51 4.209 -1.097 9.433 405 HB2 HIS 51 2HB HIS 51 2.410 -1.159 11.872 406 HB3 HIS 51 3HB HIS 51 4.002 -1.900 11.748 407 HD1 HIS 51 HD1 HIS 51 2.312 1.341 12.374 408 HD2 HIS 51 HD2 HIS 51 6.175 -0.039 11.697 409 HE1 HIS 51 HE1 HIS 51 3.826 3.233 13.025 410 HE2 HIS 51 HE2 HIS 51 6.155 2.384 12.604 411 H GLU 52 H GLU 52 0.748 -1.720 9.613 412 HA GLU 52 HA GLU 52 1.267 -4.449 8.593 413 HB2 GLU 52 2HB GLU 52 -1.168 -3.492 10.124 414 HB3 GLU 52 3HB GLU 52 -0.967 -5.094 9.435 415 HG2 GLU 52 2HG GLU 52 -0.499 -5.391 11.687 416 HG3 GLU 52 3HG GLU 52 1.094 -5.293 10.938 417 H ALA 53 H ALA 53 0.189 -5.118 6.767 418 HA ALA 53 HA ALA 53 -1.887 -3.492 5.566 419 HB1 ALA 53 3HB ALA 53 0.164 -2.347 4.840 420 HB2 ALA 53 1HB ALA 53 -0.702 -3.068 3.484 421 HB3 ALA 53 2HB ALA 53 0.743 -3.851 4.123 422 H LEU 54 H LEU 54 -2.998 -4.539 3.866 423 HA LEU 54 HA LEU 54 -2.568 -7.451 3.750 424 HB2 LEU 54 2HB LEU 54 -4.982 -5.810 2.964 425 HB3 LEU 54 3HB LEU 54 -4.884 -7.559 2.914 426 HG LEU 54 HG LEU 54 -4.687 -5.896 5.434 427 HD11 LEU 54 1HD1 LEU 54 -6.916 -5.744 4.503 428 HD12 LEU 54 2HD1 LEU 54 -6.931 -6.774 5.933 429 HD13 LEU 54 3HD1 LEU 54 -6.995 -7.498 4.326 430 HD21 LEU 54 3HD2 LEU 54 -3.473 -8.017 5.578 431 HD22 LEU 54 1HD2 LEU 54 -4.914 -8.887 5.050 432 HD23 LEU 54 2HD2 LEU 54 -4.913 -8.036 6.596 433 H ILE 55 H ILE 55 -2.536 -8.551 1.734 434 HA ILE 55 HA ILE 55 -2.122 -6.836 -0.630 435 HB ILE 55 HB ILE 55 0.062 -7.503 0.272 436 HG12 ILE 55 2HG1 ILE 55 0.979 -8.565 -1.799 437 HG13 ILE 55 3HG1 ILE 55 -0.669 -8.849 -2.343 438 HG21 ILE 55 1HG2 ILE 55 0.783 -9.844 0.272 439 HG22 ILE 55 2HG2 ILE 55 -0.841 -10.348 -0.198 440 HG23 ILE 55 3HG2 ILE 55 -0.575 -9.588 1.372 441 HD11 ILE 55 3HD1 ILE 55 0.275 -6.904 -3.420 442 HD12 ILE 55 1HD1 ILE 55 0.606 -6.167 -1.854 443 HD13 ILE 55 2HD1 ILE 55 -1.059 -6.430 -2.372 444 H THR 56 H THR 56 -3.012 -7.521 -2.495 445 HA THR 56 HA THR 56 -4.870 -9.666 -2.607 446 HB THR 56 HB THR 56 -4.975 -9.216 -5.039 447 HG1 THR 56 HG1 THR 56 -2.599 -7.807 -4.465 448 HG21 THR 56 3HG2 THR 56 -5.639 -6.841 -4.924 449 HG22 THR 56 1HG2 THR 56 -4.851 -6.706 -3.351 450 HG23 THR 56 2HG2 THR 56 -6.253 -7.759 -3.548 451 H ARG 57 H ARG 57 -4.786 -11.644 -3.853 452 HA ARG 57 HA ARG 57 -2.426 -13.145 -3.653 453 HB2 ARG 57 2HB ARG 57 -4.841 -13.573 -5.424 454 HB3 ARG 57 3HB ARG 57 -3.558 -14.756 -5.224 455 HG2 ARG 57 2HG ARG 57 -5.405 -13.733 -3.070 456 HG3 ARG 57 3HG ARG 57 -5.450 -15.322 -3.836 457 HD2 ARG 57 2HD ARG 57 -3.282 -14.209 -2.052 458 HD3 ARG 57 3HD ARG 57 -4.384 -15.535 -1.691 459 HE ARG 57 HE ARG 57 -3.010 -16.286 -3.962 460 HH11 ARG 57 1HH1 ARG 57 -2.270 -15.581 -0.670 461 HH12 ARG 57 2HH1 ARG 57 -0.806 -16.502 -0.694 462 HH21 ARG 57 1HH2 ARG 57 -1.143 -17.481 -3.963 463 HH22 ARG 57 2HH2 ARG 57 -0.181 -17.562 -2.527 464 H ASP 58 H ASP 58 -3.696 -11.264 -6.365 465 HA ASP 58 HA ASP 58 -1.658 -12.047 -8.225 466 HB2 ASP 58 2HB ASP 58 -3.469 -9.620 -8.274 467 HB3 ASP 58 3HB ASP 58 -2.555 -10.264 -9.636 468 H ARG 59 H ARG 59 -1.560 -10.076 -5.522 469 HA ARG 59 HA ARG 59 -0.096 -8.561 -4.673 470 HB2 ARG 59 2HB ARG 59 1.646 -9.397 -7.009 471 HB3 ARG 59 3HB ARG 59 2.189 -8.472 -5.615 472 HG2 ARG 59 2HG ARG 59 1.108 -11.291 -5.528 473 HG3 ARG 59 3HG ARG 59 2.813 -10.840 -5.462 474 HD2 ARG 59 2HD ARG 59 2.371 -9.568 -3.395 475 HD3 ARG 59 3HD ARG 59 0.685 -10.080 -3.459 476 HE ARG 59 HE ARG 59 1.432 -12.346 -3.075 477 HH11 ARG 59 1HH1 ARG 59 3.740 -9.863 -2.498 478 HH12 ARG 59 2HH1 ARG 59 4.699 -10.840 -1.448 479 HH21 ARG 59 1HH2 ARG 59 2.651 -13.585 -1.705 480 HH22 ARG 59 2HH2 ARG 59 4.084 -12.925 -0.994 481 H LYS 60 H LYS 60 -2.069 -7.805 -6.804 482 HA LYS 60 HA LYS 60 -0.791 -5.629 -8.240 483 HB2 LYS 60 2HB LYS 60 -3.068 -5.235 -9.185 484 HB3 LYS 60 3HB LYS 60 -2.443 -6.854 -9.460 485 HG2 LYS 60 2HG LYS 60 -3.850 -7.728 -7.677 486 HG3 LYS 60 3HG LYS 60 -4.436 -6.103 -7.319 487 HD2 LYS 60 2HD LYS 60 -6.046 -7.388 -8.669 488 HD3 LYS 60 3HD LYS 60 -5.463 -5.957 -9.524 489 HE2 LYS 60 2HE LYS 60 -3.909 -7.346 -10.804 490 HE3 LYS 60 3HE LYS 60 -4.443 -8.775 -9.924 491 HZ1 LYS 60 3HZ LYS 60 -6.200 -7.103 -11.627 492 HZ2 LYS 60 1HZ LYS 60 -6.615 -8.557 -10.873 493 HZ3 LYS 60 2HZ LYS 60 -5.478 -8.544 -12.125 494 H GLN 61 H GLN 61 -3.134 -5.931 -5.565 495 HA GLN 61 HA GLN 61 -2.760 -3.045 -5.052 496 HB2 GLN 61 2HB GLN 61 -5.336 -4.614 -4.887 497 HB3 GLN 61 3HB GLN 61 -5.136 -2.998 -4.220 498 HG2 GLN 61 2HG GLN 61 -4.596 -2.160 -6.473 499 HG3 GLN 61 3HG GLN 61 -4.861 -3.777 -7.117 500 HE21 GLN 61 1HE2 GLN 61 -6.820 -2.391 -4.568 501 HE22 GLN 61 2HE2 GLN 61 -8.257 -2.228 -5.509 502 H VAL 62 H VAL 62 -2.984 -2.331 -2.908 503 HA VAL 62 HA VAL 62 -2.609 -4.382 -0.810 504 HB VAL 62 HB VAL 62 -1.272 -1.663 -0.983 505 HG11 VAL 62 1HG1 VAL 62 0.015 -2.378 0.986 506 HG12 VAL 62 2HG1 VAL 62 -0.941 -3.857 1.066 507 HG13 VAL 62 3HG1 VAL 62 -1.713 -2.294 1.328 508 HG21 VAL 62 3HG2 VAL 62 -0.281 -3.179 -2.590 509 HG22 VAL 62 1HG2 VAL 62 -0.107 -4.425 -1.352 510 HG23 VAL 62 2HG2 VAL 62 0.833 -2.937 -1.242 511 H PHE 63 H PHE 63 -3.666 -4.009 1.153 512 HA PHE 63 HA PHE 63 -5.406 -1.622 1.294 513 HB2 PHE 63 2HB PHE 63 -5.868 -4.419 2.339 514 HB3 PHE 63 3HB PHE 63 -6.826 -3.040 2.862 515 HD1 PHE 63 HD2 PHE 63 -6.018 -5.237 0.022 516 HD2 PHE 63 HD1 PHE 63 -8.479 -2.052 1.428 517 HE1 PHE 63 HE2 PHE 63 -7.511 -5.534 -1.914 518 HE2 PHE 63 HE1 PHE 63 -9.967 -2.342 -0.507 519 HZ PHE 63 HZ PHE 63 -9.486 -4.087 -2.182 520 H ARG 64 H ARG 64 -5.788 -0.715 3.405 521 HA ARG 64 HA ARG 64 -3.309 -0.659 4.946 522 HB2 ARG 64 2HB ARG 64 -4.222 1.463 4.192 523 HB3 ARG 64 3HB ARG 64 -5.757 1.121 4.977 524 HG2 ARG 64 2HG ARG 64 -4.605 1.169 7.170 525 HG3 ARG 64 3HG ARG 64 -3.111 1.612 6.343 526 HD2 ARG 64 2HD ARG 64 -4.178 3.653 5.503 527 HD3 ARG 64 3HD ARG 64 -5.681 3.202 6.305 528 HE ARG 64 HE ARG 64 -3.430 3.376 8.083 529 HH11 ARG 64 1HH1 ARG 64 -5.997 5.120 6.579 530 HH12 ARG 64 2HH1 ARG 64 -5.977 6.379 7.766 531 HH21 ARG 64 1HH2 ARG 64 -3.426 4.998 9.606 532 HH22 ARG 64 2HH2 ARG 64 -4.523 6.327 9.442 533 H ILE 65 H ILE 65 -3.103 -1.302 7.074 534 HA ILE 65 HA ILE 65 -5.577 -2.017 8.536 535 HB ILE 65 HB ILE 65 -2.780 -3.069 9.061 536 HG12 ILE 65 2HG1 ILE 65 -5.185 -4.467 7.844 537 HG13 ILE 65 3HG1 ILE 65 -3.739 -3.970 6.968 538 HG21 ILE 65 1HG2 ILE 65 -5.438 -3.808 10.308 539 HG22 ILE 65 2HG2 ILE 65 -4.133 -2.921 11.093 540 HG23 ILE 65 3HG2 ILE 65 -3.899 -4.605 10.628 541 HD11 ILE 65 3HD1 ILE 65 -2.401 -5.521 8.280 542 HD12 ILE 65 1HD1 ILE 65 -3.721 -6.349 7.459 543 HD13 ILE 65 2HD1 ILE 65 -3.836 -6.008 9.185 544 H GLU 66 H GLU 66 -6.058 -0.771 10.262 545 HA GLU 66 HA GLU 66 -3.908 0.846 11.460 546 HB2 GLU 66 2HB GLU 66 -5.127 2.207 9.786 547 HB3 GLU 66 3HB GLU 66 -6.623 1.925 10.666 548 HG2 GLU 66 2HG GLU 66 -5.637 4.129 11.125 549 HG3 GLU 66 3HG GLU 66 -5.796 3.132 12.569 550 H ASP 67 H ASP 67 -3.955 1.049 13.618 551 HA ASP 67 HA ASP 67 -4.533 0.811 15.804 552 HB2 ASP 67 2HB ASP 67 -6.650 1.956 15.220 553 HB3 ASP 67 3HB ASP 67 -7.363 0.404 14.797 554 H SER 68 H SER 68 -6.117 -1.529 13.705 555 HA SER 68 HA SER 68 -5.185 -3.916 14.573 556 HB2 SER 68 2HB SER 68 -5.954 -3.323 16.861 557 HB3 SER 68 3HB SER 68 -7.598 -3.147 16.255 558 HG SER 68 HG SER 68 -7.828 -5.248 16.257 559 H ILE 69 H ILE 69 -7.751 -1.952 13.432 560 HA ILE 69 HA ILE 69 -9.329 -4.123 12.316 561 HB ILE 69 HB ILE 69 -9.677 -1.145 11.903 562 HG12 ILE 69 2HG1 ILE 69 -9.699 -1.601 14.302 563 HG13 ILE 69 3HG1 ILE 69 -11.325 -1.224 13.746 564 HG21 ILE 69 1HG2 ILE 69 -10.901 -2.503 10.309 565 HG22 ILE 69 2HG2 ILE 69 -12.023 -1.750 11.443 566 HG23 ILE 69 3HG2 ILE 69 -11.603 -3.454 11.617 567 HD11 ILE 69 3HD1 ILE 69 -11.335 -3.038 15.347 568 HD12 ILE 69 1HD1 ILE 69 -10.247 -3.976 14.323 569 HD13 ILE 69 2HD1 ILE 69 -11.879 -3.601 13.766 570 HA PRO 70 HA PRO 70 -7.034 -3.856 8.384 571 HB2 PRO 70 2HB PRO 70 -8.617 -5.679 7.067 572 HB3 PRO 70 3HB PRO 70 -7.258 -6.123 8.102 573 HG2 PRO 70 2HG PRO 70 -10.183 -6.088 8.732 574 HG3 PRO 70 3HG PRO 70 -8.955 -7.287 9.177 575 HD2 PRO 70 2HD PRO 70 -9.843 -5.423 10.923 576 HD3 PRO 70 3HD PRO 70 -8.168 -6.013 10.945 577 H VAL 71 H VAL 71 -7.529 -1.862 7.581 578 HA VAL 71 HA VAL 71 -10.207 -0.983 7.076 579 HB VAL 71 HB VAL 71 -7.629 0.311 6.146 580 HG11 VAL 71 1HG1 VAL 71 -10.385 1.464 6.600 581 HG12 VAL 71 2HG1 VAL 71 -9.605 1.196 5.040 582 HG13 VAL 71 3HG1 VAL 71 -8.948 2.386 6.163 583 HG21 VAL 71 3HG2 VAL 71 -7.721 1.660 8.210 584 HG22 VAL 71 1HG2 VAL 71 -7.536 -0.056 8.565 585 HG23 VAL 71 2HG2 VAL 71 -9.107 0.717 8.760 586 H LEU 72 H LEU 72 -11.218 -2.200 5.538 587 HA LEU 72 HA LEU 72 -9.899 -2.866 3.022 588 HB2 LEU 72 2HB LEU 72 -12.668 -3.532 4.038 589 HB3 LEU 72 3HB LEU 72 -11.950 -4.164 2.568 590 HG LEU 72 HG LEU 72 -10.990 -4.697 5.388 591 HD11 LEU 72 1HD1 LEU 72 -13.059 -5.875 4.819 592 HD12 LEU 72 2HD1 LEU 72 -11.702 -6.990 4.966 593 HD13 LEU 72 3HD1 LEU 72 -12.294 -6.527 3.369 594 HD21 LEU 72 3HD2 LEU 72 -9.108 -4.599 3.849 595 HD22 LEU 72 1HD2 LEU 72 -9.924 -5.711 2.749 596 HD23 LEU 72 2HD2 LEU 72 -9.410 -6.263 4.344 597 H LEU 73 H LEU 73 -10.933 -0.057 3.816 598 HA LEU 73 HA LEU 73 -13.024 0.607 2.016 599 HB2 LEU 73 2HB LEU 73 -10.893 2.347 3.263 600 HB3 LEU 73 3HB LEU 73 -12.275 2.963 2.374 601 HG LEU 73 HG LEU 73 -12.401 1.384 4.954 602 HD11 LEU 73 1HD1 LEU 73 -11.533 3.631 5.298 603 HD12 LEU 73 2HD1 LEU 73 -13.166 3.486 5.948 604 HD13 LEU 73 3HD1 LEU 73 -12.899 4.314 4.413 605 HD21 LEU 73 3HD2 LEU 73 -14.787 1.914 4.935 606 HD22 LEU 73 1HD2 LEU 73 -14.338 0.954 3.524 607 HD23 LEU 73 2HD2 LEU 73 -14.612 2.689 3.360 608 HA PRO 74 HA PRO 74 -10.923 0.460 -1.935 609 HB2 PRO 74 2HB PRO 74 -12.802 2.687 -2.596 610 HB3 PRO 74 3HB PRO 74 -12.506 1.170 -3.456 611 HG2 PRO 74 2HG PRO 74 -14.715 1.505 -2.000 612 HG3 PRO 74 3HG PRO 74 -13.874 -0.054 -2.036 613 HD2 PRO 74 2HD PRO 74 -13.914 2.028 0.104 614 HD3 PRO 74 3HD PRO 74 -13.869 0.260 0.248 615 H GLU 75 H GLU 75 -11.720 3.627 -0.545 616 HA GLU 75 HA GLU 75 -9.761 5.111 -1.955 617 HB2 GLU 75 2HB GLU 75 -10.245 6.907 -0.383 618 HB3 GLU 75 3HB GLU 75 -11.736 6.133 -0.903 619 HG2 GLU 75 2HG GLU 75 -11.783 4.848 1.200 620 HG3 GLU 75 3HG GLU 75 -10.323 5.686 1.724 621 H GLU 76 H GLU 76 -9.441 2.954 0.664 622 HA GLU 76 HA GLU 76 -6.843 4.072 1.492 623 HB2 GLU 76 2HB GLU 76 -8.634 1.972 2.741 624 HB3 GLU 76 3HB GLU 76 -7.038 2.379 3.356 625 HG2 GLU 76 2HG GLU 76 -9.062 4.550 3.008 626 HG3 GLU 76 3HG GLU 76 -9.204 3.454 4.378 627 H ALA 77 H ALA 77 -7.772 2.225 -0.916 628 HA ALA 77 HA ALA 77 -5.858 0.033 -0.573 629 HB1 ALA 77 3HB ALA 77 -7.816 0.558 -2.813 630 HB2 ALA 77 1HB ALA 77 -8.089 -0.504 -1.433 631 HB3 ALA 77 2HB ALA 77 -6.835 -0.892 -2.610 632 H ILE 78 H ILE 78 -3.865 0.125 -1.377 633 HA ILE 78 HA ILE 78 -3.122 2.289 -3.214 634 HB ILE 78 HB ILE 78 -1.368 0.414 -1.601 635 HG12 ILE 78 2HG1 ILE 78 -0.797 2.609 -0.385 636 HG13 ILE 78 3HG1 ILE 78 -2.236 3.277 -1.144 637 HG21 ILE 78 1HG2 ILE 78 0.487 1.885 -2.233 638 HG22 ILE 78 2HG2 ILE 78 -0.601 2.810 -3.269 639 HG23 ILE 78 3HG2 ILE 78 -0.252 1.122 -3.641 640 HD11 ILE 78 3HD1 ILE 78 -2.669 2.549 1.132 641 HD12 ILE 78 1HD1 ILE 78 -2.160 0.913 0.716 642 HD13 ILE 78 2HD1 ILE 78 -3.604 1.602 -0.023 643 H ALA 79 H ALA 79 -2.240 1.937 -5.238 644 HA ALA 79 HA ALA 79 -2.411 -0.783 -6.321 645 HB1 ALA 79 3HB ALA 79 -3.518 0.995 -7.572 646 HB2 ALA 79 1HB ALA 79 -2.199 0.300 -8.517 647 HB3 ALA 79 2HB ALA 79 -1.990 1.862 -7.723 648 H THR 80 H THR 80 -0.626 -2.029 -6.417 649 HA THR 80 HA THR 80 1.944 -1.113 -5.663 650 HB THR 80 HB THR 80 2.781 -3.322 -6.219 651 HG1 THR 80 HG1 THR 80 0.621 -4.587 -7.093 652 HG21 THR 80 3HG2 THR 80 1.255 -4.705 -4.885 653 HG22 THR 80 1HG2 THR 80 -0.007 -3.483 -5.054 654 HG23 THR 80 2HG2 THR 80 1.466 -3.111 -4.158 655 H ILE 81 H ILE 81 0.415 -1.387 -8.778 656 HA ILE 81 HA ILE 81 2.650 -1.333 -10.464 657 HB ILE 81 HB ILE 81 0.364 -1.775 -11.259 658 HG12 ILE 81 2HG1 ILE 81 0.449 -0.428 -13.351 659 HG13 ILE 81 3HG1 ILE 81 1.681 0.597 -12.621 660 HG21 ILE 81 1HG2 ILE 81 -0.112 1.173 -10.811 661 HG22 ILE 81 2HG2 ILE 81 -0.851 -0.155 -9.917 662 HG23 ILE 81 3HG2 ILE 81 -1.219 0.068 -11.626 663 HD11 ILE 81 3HD1 ILE 81 1.954 -2.351 -13.169 664 HD12 ILE 81 1HD1 ILE 81 3.196 -1.299 -12.486 665 HD13 ILE 81 2HD1 ILE 81 2.639 -1.047 -14.140 666 H GLN 82 H GLN 82 1.341 1.141 -8.442 667 HA GLN 82 HA GLN 82 2.776 3.291 -9.809 668 HB2 GLN 82 2HB GLN 82 1.089 3.353 -7.294 669 HB3 GLN 82 3HB GLN 82 1.756 4.761 -8.111 670 HG2 GLN 82 2HG GLN 82 -0.307 2.860 -9.219 671 HG3 GLN 82 3HG GLN 82 -0.600 4.490 -8.621 672 HE21 GLN 82 1HE2 GLN 82 0.675 2.585 -11.221 673 HE22 GLN 82 2HE2 GLN 82 0.842 3.875 -12.353 674 H ILE 83 H ILE 83 3.311 1.032 -7.313 675 HA ILE 83 HA ILE 83 5.086 2.654 -5.714 676 HB ILE 83 HB ILE 83 4.704 -0.348 -5.639 677 HG12 ILE 83 2HG1 ILE 83 2.571 0.778 -5.256 678 HG13 ILE 83 3HG1 ILE 83 3.165 0.092 -3.748 679 HG21 ILE 83 1HG2 ILE 83 5.584 -0.171 -3.347 680 HG22 ILE 83 2HG2 ILE 83 5.868 1.552 -3.597 681 HG23 ILE 83 3HG2 ILE 83 6.761 0.362 -4.546 682 HD11 ILE 83 3HD1 ILE 83 2.211 2.284 -3.392 683 HD12 ILE 83 1HD1 ILE 83 3.323 2.987 -4.565 684 HD13 ILE 83 2HD1 ILE 83 3.941 2.308 -3.058 685 H ALA 84 H ALA 84 6.778 3.334 -6.976 686 HA ALA 84 HA ALA 84 8.181 1.796 -8.859 687 HB1 ALA 84 3HB ALA 84 9.164 4.214 -7.344 688 HB2 ALA 84 1HB ALA 84 8.179 4.247 -8.808 689 HB3 ALA 84 2HB ALA 84 9.813 3.590 -8.862 690 H ASN 85 H ASN 85 8.225 1.331 -5.548 691 HA ASN 85 HA ASN 85 10.999 0.324 -5.562 692 HB2 ASN 85 2HB ASN 85 9.233 0.920 -3.170 693 HB3 ASN 85 3HB ASN 85 10.929 0.444 -3.124 694 HD21 ASN 85 1HD2 ASN 85 8.704 3.015 -3.645 695 HD22 ASN 85 2HD2 ASN 85 9.868 4.280 -3.804 696 H PHE 86 H PHE 86 7.833 -0.785 -5.821 697 HA PHE 86 HA PHE 86 7.741 -2.991 -4.115 698 HB2 PHE 86 2HB PHE 86 5.871 -1.907 -5.534 699 HB3 PHE 86 3HB PHE 86 6.422 -2.969 -6.826 700 HD1 PHE 86 HD1 PHE 86 5.138 -2.914 -3.374 701 HD2 PHE 86 HD2 PHE 86 5.745 -5.241 -6.886 702 HE1 PHE 86 HE1 PHE 86 3.769 -4.727 -2.409 703 HE2 PHE 86 HE2 PHE 86 4.377 -7.054 -5.935 704 HZ PHE 86 HZ PHE 86 3.387 -6.800 -3.692 705 HA PRO 87 HA PRO 87 10.690 -5.644 -6.270 706 HB2 PRO 87 2HB PRO 87 10.833 -7.593 -4.441 707 HB3 PRO 87 3HB PRO 87 11.511 -5.990 -4.129 708 HG2 PRO 87 2HG PRO 87 8.903 -7.154 -3.202 709 HG3 PRO 87 3HG PRO 87 10.088 -6.198 -2.291 710 HD2 PRO 87 2HD PRO 87 7.798 -5.158 -3.414 711 HD3 PRO 87 3HD PRO 87 9.258 -4.209 -3.067 712 H ASP 88 H ASP 88 10.339 -7.086 -7.869 713 HA ASP 88 HA ASP 88 7.801 -8.197 -8.399 714 HB2 ASP 88 2HB ASP 88 9.396 -7.651 -10.168 715 HB3 ASP 88 3HB ASP 88 10.498 -8.894 -9.586 716 H LYS 89 H LYS 89 7.109 -10.397 -8.479 717 HA LYS 89 HA LYS 89 8.282 -11.994 -6.305 718 HB2 LYS 89 2HB LYS 89 5.484 -11.958 -7.431 719 HB3 LYS 89 3HB LYS 89 6.028 -13.092 -6.204 720 HG2 LYS 89 2HG LYS 89 6.189 -10.113 -5.799 721 HG3 LYS 89 3HG LYS 89 4.733 -11.033 -5.427 722 HD2 LYS 89 2HD LYS 89 5.857 -10.915 -3.380 723 HD3 LYS 89 3HD LYS 89 6.264 -12.517 -3.986 724 HE2 LYS 89 2HE LYS 89 8.254 -11.552 -3.092 725 HE3 LYS 89 3HE LYS 89 8.417 -11.551 -4.844 726 HZ1 LYS 89 3HZ LYS 89 9.160 -9.472 -3.976 727 HZ2 LYS 89 1HZ LYS 89 7.722 -9.234 -3.122 728 HZ3 LYS 89 2HZ LYS 89 7.721 -9.195 -4.814 729 H LEU 90 H LEU 90 8.043 -12.027 -9.645 730 HA LEU 90 HA LEU 90 8.500 -13.556 -11.268 731 HB2 LEU 90 2HB LEU 90 9.925 -14.873 -8.955 732 HB3 LEU 90 3HB LEU 90 10.052 -15.437 -10.609 733 HG LEU 90 HG LEU 90 10.997 -13.181 -11.224 734 HD11 LEU 90 1HD1 LEU 90 10.165 -11.860 -9.369 735 HD12 LEU 90 2HD1 LEU 90 11.929 -11.802 -9.408 736 HD13 LEU 90 3HD1 LEU 90 11.104 -12.824 -8.228 737 HD21 LEU 90 3HD2 LEU 90 13.226 -13.676 -10.319 738 HD22 LEU 90 1HD2 LEU 90 12.423 -15.129 -10.911 739 HD23 LEU 90 2HD2 LEU 90 12.507 -14.812 -9.179 740 H GLU 91 H GLU 91 6.034 -14.031 -9.523 741 HA GLU 91 HA GLU 91 5.678 -16.918 -10.054 742 HB2 GLU 91 2HB GLU 91 5.335 -16.317 -7.700 743 HB3 GLU 91 3HB GLU 91 4.124 -15.129 -8.164 744 HG2 GLU 91 2HG GLU 91 2.704 -16.926 -9.056 745 HG3 GLU 91 3HG GLU 91 3.914 -18.112 -8.578 746 H HIS 92 H HIS 92 4.016 -17.651 -11.319 747 HA HIS 92 HA HIS 92 2.564 -15.720 -12.933 748 HB2 HIS 92 2HB HIS 92 2.440 -18.749 -12.929 749 HB3 HIS 92 3HB HIS 92 1.708 -17.693 -14.134 750 HD1 HIS 92 HD1 HIS 92 4.820 -19.422 -13.304 751 HD2 HIS 92 HD2 HIS 92 3.682 -16.243 -15.720 752 HE1 HIS 92 HE1 HIS 92 6.725 -19.073 -14.893 753 HE2 HIS 92 HE2 HIS 92 6.109 -17.004 -16.181 754 H HIS 93 H HIS 93 1.138 -14.704 -11.541 755 HA HIS 93 HA HIS 93 -0.349 -16.042 -9.531 756 HB2 HIS 93 2HB HIS 93 -0.737 -13.292 -10.737 757 HB3 HIS 93 3HB HIS 93 -1.511 -13.868 -9.262 758 HD1 HIS 93 HD1 HIS 93 1.411 -12.084 -10.402 759 HD2 HIS 93 HD2 HIS 93 0.516 -14.580 -7.201 760 HE1 HIS 93 HE1 HIS 93 3.201 -11.662 -8.698 761 HE2 HIS 93 HE2 HIS 93 2.706 -13.263 -6.820 762 H HIS 94 H HIS 94 -1.867 -17.500 -9.997 763 HA HIS 94 HA HIS 94 -3.976 -16.761 -11.936 764 HB2 HIS 94 2HB HIS 94 -2.858 -19.535 -11.434 765 HB3 HIS 94 3HB HIS 94 -4.238 -19.173 -12.462 766 HD1 HIS 94 HD1 HIS 94 -1.432 -20.492 -13.308 767 HD2 HIS 94 HD2 HIS 94 -2.691 -16.594 -14.028 768 HE1 HIS 94 HE1 HIS 94 -0.109 -19.708 -15.292 769 HE2 HIS 94 HE2 HIS 94 -0.815 -17.324 -15.654 770 H HIS 95 H HIS 95 -5.909 -16.554 -11.000 771 HA HIS 95 HA HIS 95 -6.645 -18.407 -8.849 772 HB2 HIS 95 2HB HIS 95 -7.730 -16.618 -7.553 773 HB3 HIS 95 3HB HIS 95 -5.999 -16.356 -7.696 774 HD1 HIS 95 HD1 HIS 95 -9.028 -14.539 -7.803 775 HD2 HIS 95 HD2 HIS 95 -5.516 -14.413 -10.013 776 HE1 HIS 95 HE1 HIS 95 -8.967 -12.257 -8.825 777 HE2 HIS 95 HE2 HIS 95 -6.692 -12.113 -9.874 778 H HIS 96 H HIS 96 -8.264 -19.561 -9.691 779 HA HIS 96 HA HIS 96 -10.117 -18.583 -11.618 780 HB2 HIS 96 2HB HIS 96 -11.384 -20.665 -11.180 781 HB3 HIS 96 3HB HIS 96 -9.671 -20.967 -11.442 782 HD1 HIS 96 HD1 HIS 96 -12.350 -21.202 -8.862 783 HD2 HIS 96 HD2 HIS 96 -8.269 -21.921 -9.187 784 HE1 HIS 96 HE1 HIS 96 -11.730 -22.523 -6.818 785 HE2 HIS 96 HE2 HIS 96 -9.300 -23.085 -7.124 786 H HIS 97 H HIS 97 -9.835 -17.868 -8.403 787 HA HIS 97 HA HIS 97 -12.470 -16.585 -8.434 788 HB2 HIS 97 2HB HIS 97 -12.711 -18.566 -6.988 789 HB3 HIS 97 3HB HIS 97 -11.322 -18.054 -6.034 790 HD1 HIS 97 HD1 HIS 97 -14.956 -17.541 -6.430 791 HD2 HIS 97 HD2 HIS 97 -11.810 -15.737 -4.402 792 HE1 HIS 97 HE1 HIS 97 -16.027 -16.015 -4.750 793 HE2 HIS 97 HE2 HIS 97 -14.107 -15.072 -3.426 Start of MODEL 2 1 H1 MET 1 1H MET 1 12.884 -16.954 -13.854 2 H2 MET 1 2H MET 1 13.643 -18.431 -14.181 3 H3 MET 1 3H MET 1 11.997 -18.238 -14.507 4 HA MET 1 HA MET 1 14.205 -16.785 -15.844 5 HB2 MET 1 2HB MET 1 13.852 -19.296 -16.331 6 HB3 MET 1 3HB MET 1 12.342 -18.821 -17.087 7 HG2 MET 1 2HG MET 1 14.164 -19.126 -18.705 8 HG3 MET 1 3HG MET 1 13.528 -17.480 -18.708 9 HE1 MET 1 3HE MET 1 16.311 -18.339 -20.034 10 HE2 MET 1 1HE MET 1 17.350 -17.011 -19.519 11 HE3 MET 1 2HE MET 1 15.704 -16.684 -20.062 12 H ASP 2 H ASP 2 12.997 -16.175 -18.186 13 HA ASP 2 HA ASP 2 11.536 -13.935 -17.901 14 HB2 ASP 2 2HB ASP 2 11.335 -16.013 -20.083 15 HB3 ASP 2 3HB ASP 2 10.625 -14.406 -20.207 16 H ARG 3 H ARG 3 9.569 -13.339 -17.250 17 HA ARG 3 HA ARG 3 7.519 -15.060 -16.406 18 HB2 ARG 3 2HB ARG 3 6.083 -13.044 -16.412 19 HB3 ARG 3 3HB ARG 3 7.650 -12.736 -15.673 20 HG2 ARG 3 2HG ARG 3 8.408 -11.740 -17.826 21 HG3 ARG 3 3HG ARG 3 6.766 -11.934 -18.443 22 HD2 ARG 3 2HD ARG 3 7.527 -10.325 -16.005 23 HD3 ARG 3 3HD ARG 3 7.236 -9.654 -17.608 24 HE ARG 3 HE ARG 3 5.022 -11.186 -16.627 25 HH11 ARG 3 1HH1 ARG 3 6.549 -8.099 -16.513 26 HH12 ARG 3 2HH1 ARG 3 5.086 -7.267 -16.117 27 HH21 ARG 3 1HH2 ARG 3 3.154 -10.115 -16.137 28 HH22 ARG 3 2HH2 ARG 3 3.172 -8.401 -15.914 29 H LYS 4 H LYS 4 8.404 -14.030 -19.558 30 HA LYS 4 HA LYS 4 5.909 -14.560 -20.875 31 HB2 LYS 4 2HB LYS 4 8.701 -14.461 -22.045 32 HB3 LYS 4 3HB LYS 4 7.191 -14.337 -22.938 33 HG2 LYS 4 2HG LYS 4 6.692 -12.217 -21.900 34 HG3 LYS 4 3HG LYS 4 8.114 -12.350 -20.863 35 HD2 LYS 4 2HD LYS 4 8.118 -12.120 -23.881 36 HD3 LYS 4 3HD LYS 4 8.540 -10.843 -22.740 37 HE2 LYS 4 2HE LYS 4 10.409 -12.264 -21.914 38 HE3 LYS 4 3HE LYS 4 10.015 -13.451 -23.156 39 HZ1 LYS 4 3HZ LYS 4 10.445 -11.721 -24.832 40 HZ2 LYS 4 1HZ LYS 4 11.810 -12.068 -23.895 41 HZ3 LYS 4 2HZ LYS 4 10.920 -10.660 -23.606 42 H LEU 5 H LEU 5 8.871 -16.390 -20.265 43 HA LEU 5 HA LEU 5 8.044 -18.619 -21.927 44 HB2 LEU 5 2HB LEU 5 10.505 -17.962 -20.348 45 HB3 LEU 5 3HB LEU 5 10.244 -19.598 -20.910 46 HG LEU 5 HG LEU 5 11.703 -18.398 -22.436 47 HD11 LEU 5 1HD1 LEU 5 10.225 -20.096 -23.371 48 HD12 LEU 5 2HD1 LEU 5 10.514 -18.797 -24.528 49 HD13 LEU 5 3HD1 LEU 5 8.983 -18.874 -23.655 50 HD21 LEU 5 3HD2 LEU 5 9.415 -16.473 -22.862 51 HD22 LEU 5 1HD2 LEU 5 10.961 -16.471 -23.709 52 HD23 LEU 5 2HD2 LEU 5 10.903 -16.119 -21.985 53 H LEU 6 H LEU 6 7.044 -17.752 -18.970 54 HA LEU 6 HA LEU 6 7.213 -20.132 -17.458 55 HB2 LEU 6 2HB LEU 6 5.079 -17.991 -17.432 56 HB3 LEU 6 3HB LEU 6 5.244 -19.252 -16.225 57 HG LEU 6 HG LEU 6 7.277 -17.076 -16.774 58 HD11 LEU 6 1HD1 LEU 6 6.600 -16.185 -14.609 59 HD12 LEU 6 2HD1 LEU 6 5.377 -17.447 -14.457 60 HD13 LEU 6 3HD1 LEU 6 5.233 -16.228 -15.724 61 HD21 LEU 6 3HD2 LEU 6 8.410 -17.904 -14.781 62 HD22 LEU 6 1HD2 LEU 6 8.309 -19.170 -16.003 63 HD23 LEU 6 2HD2 LEU 6 7.219 -19.193 -14.617 64 H HIS 7 H HIS 7 6.659 -22.017 -18.445 65 HA HIS 7 HA HIS 7 4.364 -22.248 -20.170 66 HB2 HIS 7 2HB HIS 7 6.485 -23.605 -20.379 67 HB3 HIS 7 3HB HIS 7 5.979 -24.499 -18.950 68 HD1 HIS 7 HD1 HIS 7 4.729 -23.721 -22.445 69 HD2 HIS 7 HD2 HIS 7 4.375 -26.639 -19.511 70 HE1 HIS 7 HE1 HIS 7 3.360 -25.551 -23.483 71 HE2 HIS 7 HE2 HIS 7 3.331 -27.383 -21.756 72 H LEU 8 H LEU 8 4.898 -22.507 -16.791 73 HA LEU 8 HA LEU 8 2.556 -24.128 -16.257 74 HB2 LEU 8 2HB LEU 8 4.399 -22.599 -14.411 75 HB3 LEU 8 3HB LEU 8 3.037 -23.553 -13.855 76 HG LEU 8 HG LEU 8 5.011 -24.857 -13.535 77 HD11 LEU 8 1HD1 LEU 8 3.580 -25.877 -15.988 78 HD12 LEU 8 2HD1 LEU 8 3.058 -26.093 -14.317 79 HD13 LEU 8 3HD1 LEU 8 4.555 -26.838 -14.874 80 HD21 LEU 8 3HD2 LEU 8 5.659 -24.395 -16.448 81 HD22 LEU 8 1HD2 LEU 8 6.550 -25.443 -15.347 82 HD23 LEU 8 2HD2 LEU 8 6.511 -23.704 -15.068 83 H LEU 9 H LEU 9 0.710 -23.151 -16.880 84 HA LEU 9 HA LEU 9 0.185 -20.359 -16.547 85 HB2 LEU 9 2HB LEU 9 -0.779 -21.729 -18.359 86 HB3 LEU 9 3HB LEU 9 -1.683 -22.657 -17.183 87 HG LEU 9 HG LEU 9 -2.133 -19.690 -17.364 88 HD11 LEU 9 1HD1 LEU 9 -2.276 -20.440 -19.673 89 HD12 LEU 9 2HD1 LEU 9 -3.880 -20.068 -19.049 90 HD13 LEU 9 3HD1 LEU 9 -3.365 -21.748 -19.203 91 HD21 LEU 9 3HD2 LEU 9 -3.958 -22.016 -16.717 92 HD22 LEU 9 1HD2 LEU 9 -4.393 -20.308 -16.661 93 HD23 LEU 9 2HD2 LEU 9 -3.193 -20.947 -15.540 94 H CYS 10 H CYS 10 -0.633 -19.320 -14.809 95 HA CYS 10 HA CYS 10 -1.073 -20.805 -12.378 96 HB2 CYS 10 2HB CYS 10 -1.400 -18.566 -11.347 97 HB3 CYS 10 3HB CYS 10 0.105 -18.686 -12.250 98 HG CYS 10 HG CYS 10 -2.568 -17.415 -13.891 99 H SER 11 H SER 11 -2.966 -21.232 -11.367 100 HA SER 11 HA SER 11 -5.322 -21.167 -13.038 101 HB2 SER 11 2HB SER 11 -4.806 -22.424 -10.336 102 HB3 SER 11 3HB SER 11 -6.299 -22.610 -11.251 103 HG SER 11 HG SER 11 -4.810 -24.347 -11.570 104 HA PRO 12 HA PRO 12 -7.033 -17.428 -11.183 105 HB2 PRO 12 2HB PRO 12 -9.530 -18.557 -12.369 106 HB3 PRO 12 3HB PRO 12 -8.828 -16.942 -12.541 107 HG2 PRO 12 2HG PRO 12 -8.665 -18.705 -14.531 108 HG3 PRO 12 3HG PRO 12 -7.302 -17.632 -14.155 109 HD2 PRO 12 2HD PRO 12 -7.668 -20.537 -13.508 110 HD3 PRO 12 3HD PRO 12 -6.203 -19.672 -14.020 111 H ASP 13 H ASP 13 -8.458 -20.653 -10.840 112 HA ASP 13 HA ASP 13 -10.294 -20.032 -8.787 113 HB2 ASP 13 2HB ASP 13 -10.269 -22.513 -8.359 114 HB3 ASP 13 3HB ASP 13 -10.603 -22.047 -10.024 115 H THR 14 H THR 14 -6.887 -20.171 -8.641 116 HA THR 14 HA THR 14 -6.799 -20.746 -5.779 117 HB THR 14 HB THR 14 -4.422 -20.484 -5.873 118 HG1 THR 14 HG1 THR 14 -4.464 -19.664 -8.580 119 HG21 THR 14 3HG2 THR 14 -3.775 -22.028 -7.688 120 HG22 THR 14 1HG2 THR 14 -5.370 -21.822 -8.413 121 HG23 THR 14 2HG2 THR 14 -5.214 -22.576 -6.826 122 H ARG 15 H ARG 15 -8.100 -18.301 -7.205 123 HA ARG 15 HA ARG 15 -6.935 -15.937 -6.380 124 HB2 ARG 15 2HB ARG 15 -9.196 -14.976 -6.409 125 HB3 ARG 15 3HB ARG 15 -8.934 -16.028 -7.793 126 HG2 ARG 15 2HG ARG 15 -10.167 -17.826 -6.630 127 HG3 ARG 15 3HG ARG 15 -10.477 -16.719 -5.292 128 HD2 ARG 15 2HD ARG 15 -11.623 -15.200 -6.933 129 HD3 ARG 15 3HD ARG 15 -11.450 -16.475 -8.142 130 HE ARG 15 HE ARG 15 -12.801 -17.185 -5.660 131 HH11 ARG 15 1HH1 ARG 15 -13.055 -16.413 -9.001 132 HH12 ARG 15 2HH1 ARG 15 -14.712 -16.890 -9.097 133 HH21 ARG 15 1HH2 ARG 15 -14.918 -17.827 -5.794 134 HH22 ARG 15 2HH2 ARG 15 -15.755 -17.698 -7.302 135 H GLN 16 H GLN 16 -6.540 -15.010 -4.465 136 HA GLN 16 HA GLN 16 -7.961 -15.981 -2.075 137 HB2 GLN 16 2HB GLN 16 -5.026 -15.519 -2.493 138 HB3 GLN 16 3HB GLN 16 -5.711 -15.311 -0.888 139 HG2 GLN 16 2HG GLN 16 -5.900 -17.832 -2.535 140 HG3 GLN 16 3HG GLN 16 -4.741 -17.543 -1.235 141 HE21 GLN 16 1HE2 GLN 16 -8.085 -18.115 -2.006 142 HE22 GLN 16 2HE2 GLN 16 -8.593 -18.488 -0.398 143 HA PRO 17 HA PRO 17 -8.989 -11.726 -1.282 144 HB2 PRO 17 2HB PRO 17 -9.073 -12.483 1.575 145 HB3 PRO 17 3HB PRO 17 -10.370 -11.894 0.531 146 HG2 PRO 17 2HG PRO 17 -10.299 -14.440 1.350 147 HG3 PRO 17 3HG PRO 17 -10.859 -14.014 -0.279 148 HD2 PRO 17 2HD PRO 17 -8.181 -15.064 0.591 149 HD3 PRO 17 3HD PRO 17 -9.182 -15.555 -0.796 150 H LEU 18 H LEU 18 -8.460 -10.223 0.918 151 HA LEU 18 HA LEU 18 -5.787 -9.424 0.415 152 HB2 LEU 18 2HB LEU 18 -7.762 -8.555 2.524 153 HB3 LEU 18 3HB LEU 18 -6.216 -7.774 2.252 154 HG LEU 18 HG LEU 18 -8.462 -7.966 0.235 155 HD11 LEU 18 1HD1 LEU 18 -8.700 -5.569 0.561 156 HD12 LEU 18 2HD1 LEU 18 -7.433 -5.595 1.787 157 HD13 LEU 18 3HD1 LEU 18 -8.957 -6.434 2.076 158 HD21 LEU 18 3HD2 LEU 18 -5.805 -6.537 0.060 159 HD22 LEU 18 1HD2 LEU 18 -7.096 -6.473 -1.138 160 HD23 LEU 18 2HD2 LEU 18 -6.254 -7.992 -0.830 161 H SER 19 H SER 19 -3.989 -10.207 1.198 162 HA SER 19 HA SER 19 -4.020 -11.753 3.718 163 HB2 SER 19 2HB SER 19 -2.045 -11.884 1.420 164 HB3 SER 19 3HB SER 19 -2.067 -12.936 2.837 165 HG SER 19 HG SER 19 -4.274 -12.720 1.059 166 H LEU 20 H LEU 20 -1.991 -11.660 5.026 167 HA LEU 20 HA LEU 20 -1.295 -8.956 5.593 168 HB2 LEU 20 2HB LEU 20 -1.346 -11.099 7.129 169 HB3 LEU 20 3HB LEU 20 0.315 -11.285 6.608 170 HG LEU 20 HG LEU 20 0.128 -10.175 8.802 171 HD11 LEU 20 1HD1 LEU 20 1.601 -8.268 8.369 172 HD12 LEU 20 2HD1 LEU 20 1.213 -8.357 6.649 173 HD13 LEU 20 3HD1 LEU 20 2.078 -9.683 7.426 174 HD21 LEU 20 3HD2 LEU 20 -2.009 -9.050 8.464 175 HD22 LEU 20 1HD2 LEU 20 -1.268 -7.969 7.283 176 HD23 LEU 20 2HD2 LEU 20 -0.767 -7.907 8.976 177 H LEU 21 H LEU 21 0.212 -7.720 4.645 178 HA LEU 21 HA LEU 21 1.878 -8.735 2.560 179 HB2 LEU 21 2HB LEU 21 0.924 -6.506 2.444 180 HB3 LEU 21 3HB LEU 21 1.791 -6.023 3.889 181 HG LEU 21 HG LEU 21 3.930 -6.217 2.694 182 HD11 LEU 21 1HD1 LEU 21 2.268 -6.880 0.263 183 HD12 LEU 21 2HD1 LEU 21 3.293 -8.015 1.140 184 HD13 LEU 21 3HD1 LEU 21 4.013 -6.637 0.306 185 HD21 LEU 21 3HD2 LEU 21 2.720 -4.077 2.678 186 HD22 LEU 21 1HD2 LEU 21 1.909 -4.551 1.184 187 HD23 LEU 21 2HD2 LEU 21 3.659 -4.311 1.203 188 H GLU 22 H GLU 22 3.815 -9.608 2.695 189 HA GLU 22 HA GLU 22 5.285 -10.074 5.001 190 HB2 GLU 22 2HB GLU 22 7.120 -10.715 3.478 191 HB3 GLU 22 3HB GLU 22 5.572 -11.371 2.967 192 HG2 GLU 22 2HG GLU 22 5.383 -9.513 1.322 193 HG3 GLU 22 3HG GLU 22 7.001 -8.992 1.785 194 H SER 23 H SER 23 7.208 -9.195 5.872 195 HA SER 23 HA SER 23 7.342 -6.435 6.134 196 HB2 SER 23 2HB SER 23 9.523 -6.776 7.211 197 HB3 SER 23 3HB SER 23 8.377 -8.011 7.723 198 HG SER 23 HG SER 23 10.756 -8.317 6.523 199 H LYS 24 H LYS 24 9.336 -8.490 4.009 200 HA LYS 24 HA LYS 24 11.081 -6.541 3.049 201 HB2 LYS 24 2HB LYS 24 11.270 -9.000 2.657 202 HB3 LYS 24 3HB LYS 24 9.970 -8.881 1.479 203 HG2 LYS 24 2HG LYS 24 12.071 -8.953 0.323 204 HG3 LYS 24 3HG LYS 24 11.381 -7.337 0.139 205 HD2 LYS 24 2HD LYS 24 12.860 -6.485 1.883 206 HD3 LYS 24 3HD LYS 24 13.505 -8.106 2.155 207 HE2 LYS 24 2HE LYS 24 14.348 -8.121 -0.174 208 HE3 LYS 24 3HE LYS 24 13.768 -6.469 -0.373 209 HZ1 LYS 24 3HZ LYS 24 15.793 -7.337 1.619 210 HZ2 LYS 24 1HZ LYS 24 15.279 -5.746 1.348 211 HZ3 LYS 24 2HZ LYS 24 16.138 -6.574 0.151 212 H GLY 25 H GLY 25 7.849 -7.415 1.882 213 HA2 GLY 25 2HA GLY 25 7.836 -5.489 -0.252 214 HA3 GLY 25 3HA GLY 25 6.443 -6.365 0.371 215 H LEU 26 H LEU 26 6.467 -5.588 3.020 216 HA LEU 26 HA LEU 26 4.977 -3.255 2.997 217 HB2 LEU 26 2HB LEU 26 4.919 -4.945 4.778 218 HB3 LEU 26 3HB LEU 26 6.521 -4.456 5.298 219 HG LEU 26 HG LEU 26 5.627 -2.222 5.896 220 HD11 LEU 26 1HD1 LEU 26 2.949 -3.434 5.206 221 HD12 LEU 26 2HD1 LEU 26 3.757 -2.129 4.336 222 HD13 LEU 26 3HD1 LEU 26 3.208 -1.874 5.992 223 HD21 LEU 26 3HD2 LEU 26 5.799 -3.957 7.596 224 HD22 LEU 26 1HD2 LEU 26 4.192 -4.552 7.174 225 HD23 LEU 26 2HD2 LEU 26 4.385 -2.945 7.878 226 H GLU 27 H GLU 27 8.435 -3.633 3.817 227 HA GLU 27 HA GLU 27 8.873 -0.919 4.480 228 HB2 GLU 27 2HB GLU 27 11.256 -1.395 4.222 229 HB3 GLU 27 3HB GLU 27 10.450 -2.669 5.126 230 HG2 GLU 27 2HG GLU 27 10.536 -4.155 3.279 231 HG3 GLU 27 3HG GLU 27 11.039 -2.871 2.182 232 H ALA 28 H ALA 28 8.855 -2.609 1.395 233 HA ALA 28 HA ALA 28 9.995 -0.517 -0.162 234 HB1 ALA 28 3HB ALA 28 8.112 -2.729 -1.003 235 HB2 ALA 28 1HB ALA 28 9.874 -2.809 -0.993 236 HB3 ALA 28 2HB ALA 28 9.047 -1.706 -2.093 237 H LEU 29 H LEU 29 6.636 -1.422 0.587 238 HA LEU 29 HA LEU 29 5.306 0.607 -0.808 239 HB2 LEU 29 2HB LEU 29 4.638 -1.017 1.626 240 HB3 LEU 29 3HB LEU 29 3.587 0.306 1.167 241 HG LEU 29 HG LEU 29 2.776 -1.873 0.347 242 HD11 LEU 29 1HD1 LEU 29 3.626 0.008 -1.853 243 HD12 LEU 29 2HD1 LEU 29 2.173 0.148 -0.861 244 HD13 LEU 29 3HD1 LEU 29 2.356 -1.212 -1.965 245 HD21 LEU 29 3HD2 LEU 29 5.295 -1.905 -1.321 246 HD22 LEU 29 1HD2 LEU 29 3.944 -3.030 -1.470 247 HD23 LEU 29 2HD2 LEU 29 4.910 -3.001 0.004 248 H ASN 30 H ASN 30 6.327 0.595 2.628 249 HA ASN 30 HA ASN 30 5.520 3.221 3.192 250 HB2 ASN 30 2HB ASN 30 7.522 1.386 4.486 251 HB3 ASN 30 3HB ASN 30 7.321 3.042 5.055 252 HD21 ASN 30 1HD2 ASN 30 5.881 -0.105 4.862 253 HD22 ASN 30 2HD2 ASN 30 4.556 0.230 5.919 254 H LYS 31 H LYS 31 8.671 2.030 2.010 255 HA LYS 31 HA LYS 31 9.995 4.507 2.008 256 HB2 LYS 31 2HB LYS 31 10.358 1.964 0.469 257 HB3 LYS 31 3HB LYS 31 11.242 3.393 -0.053 258 HG2 LYS 31 2HG LYS 31 12.157 3.594 2.260 259 HG3 LYS 31 3HG LYS 31 11.388 2.056 2.650 260 HD2 LYS 31 2HD LYS 31 13.253 2.289 0.302 261 HD3 LYS 31 3HD LYS 31 13.889 2.089 1.934 262 HE2 LYS 31 2HE LYS 31 11.853 0.221 0.732 263 HE3 LYS 31 3HE LYS 31 13.592 -0.031 0.584 264 HZ1 LYS 31 3HZ LYS 31 12.770 -1.283 2.436 265 HZ2 LYS 31 1HZ LYS 31 12.034 0.087 3.112 266 HZ3 LYS 31 2HZ LYS 31 13.719 -0.020 3.027 267 H ALA 32 H ALA 32 7.821 3.079 -0.399 268 HA ALA 32 HA ALA 32 8.122 5.130 -2.351 269 HB1 ALA 32 3HB ALA 32 7.195 2.925 -2.890 270 HB2 ALA 32 1HB ALA 32 6.088 4.220 -3.351 271 HB3 ALA 32 2HB ALA 32 5.782 3.273 -1.894 272 H ILE 33 H ILE 33 5.896 4.671 0.360 273 HA ILE 33 HA ILE 33 4.243 6.905 -0.005 274 HB ILE 33 HB ILE 33 5.118 5.530 2.546 275 HG12 ILE 33 2HG1 ILE 33 2.571 5.300 0.913 276 HG13 ILE 33 3HG1 ILE 33 3.870 4.114 0.953 277 HG21 ILE 33 1HG2 ILE 33 4.374 7.786 3.078 278 HG22 ILE 33 2HG2 ILE 33 3.192 6.599 3.631 279 HG23 ILE 33 3HG2 ILE 33 2.885 7.529 2.164 280 HD11 ILE 33 3HD1 ILE 33 2.009 3.418 2.333 281 HD12 ILE 33 1HD1 ILE 33 2.125 4.902 3.277 282 HD13 ILE 33 2HD1 ILE 33 3.434 3.721 3.325 283 H VAL 34 H VAL 34 7.244 6.605 1.909 284 HA VAL 34 HA VAL 34 7.404 9.295 2.746 285 HB VAL 34 HB VAL 34 9.676 7.338 2.291 286 HG11 VAL 34 1HG1 VAL 34 10.914 8.706 3.928 287 HG12 VAL 34 2HG1 VAL 34 9.581 9.863 3.953 288 HG13 VAL 34 3HG1 VAL 34 10.510 9.619 2.474 289 HG21 VAL 34 3HG2 VAL 34 9.475 6.852 4.688 290 HG22 VAL 34 1HG2 VAL 34 7.993 6.448 3.820 291 HG23 VAL 34 2HG2 VAL 34 8.074 7.921 4.788 292 H SER 35 H SER 35 8.357 7.706 -0.220 293 HA SER 35 HA SER 35 9.890 9.867 -1.299 294 HB2 SER 35 2HB SER 35 10.199 7.588 -2.125 295 HB3 SER 35 3HB SER 35 8.531 7.542 -2.689 296 HG SER 35 HG SER 35 10.272 9.564 -3.606 297 H GLY 36 H GLY 36 6.525 9.389 -0.920 298 HA2 GLY 36 2HA GLY 36 4.709 10.651 -1.556 299 HA3 GLY 36 3HA GLY 36 5.847 11.900 -2.037 300 H THR 37 H THR 37 5.771 8.655 -3.391 301 HA THR 37 HA THR 37 4.996 9.805 -6.008 302 HB THR 37 HB THR 37 7.271 8.854 -5.965 303 HG1 THR 37 HG1 THR 37 5.917 6.961 -7.513 304 HG21 THR 37 3HG2 THR 37 6.954 7.141 -4.235 305 HG22 THR 37 1HG2 THR 37 7.614 6.435 -5.711 306 HG23 THR 37 2HG2 THR 37 5.907 6.229 -5.323 307 H VAL 38 H VAL 38 3.351 8.566 -3.703 308 HA VAL 38 HA VAL 38 2.049 6.388 -5.224 309 HB VAL 38 HB VAL 38 2.039 6.806 -2.225 310 HG11 VAL 38 1HG1 VAL 38 1.069 4.478 -3.891 311 HG12 VAL 38 2HG1 VAL 38 0.050 5.645 -3.048 312 HG13 VAL 38 3HG1 VAL 38 1.084 4.555 -2.126 313 HG21 VAL 38 3HG2 VAL 38 3.640 4.867 -3.900 314 HG22 VAL 38 1HG2 VAL 38 3.546 4.859 -2.137 315 HG23 VAL 38 2HG2 VAL 38 4.274 6.229 -2.976 316 H GLN 39 H GLN 39 -0.055 6.633 -5.781 317 HA GLN 39 HA GLN 39 -1.652 8.672 -4.356 318 HB2 GLN 39 2HB GLN 39 -1.981 7.628 -7.182 319 HB3 GLN 39 3HB GLN 39 -3.146 8.671 -6.376 320 HG2 GLN 39 2HG GLN 39 -1.958 10.192 -7.609 321 HG3 GLN 39 3HG GLN 39 -1.107 10.264 -6.071 322 HE21 GLN 39 1HE2 GLN 39 -0.161 10.965 -8.712 323 HE22 GLN 39 2HE2 GLN 39 1.225 9.986 -9.014 324 H ARG 40 H ARG 40 -3.155 7.894 -3.031 325 HA ARG 40 HA ARG 40 -3.985 5.180 -2.943 326 HB2 ARG 40 2HB ARG 40 -5.787 6.032 -1.402 327 HB3 ARG 40 3HB ARG 40 -4.149 6.474 -0.931 328 HG2 ARG 40 2HG ARG 40 -4.448 8.715 -1.714 329 HG3 ARG 40 3HG ARG 40 -6.001 8.311 -2.448 330 HD2 ARG 40 2HD ARG 40 -6.150 9.540 -0.266 331 HD3 ARG 40 3HD ARG 40 -7.021 8.007 -0.317 332 HE ARG 40 HE ARG 40 -4.324 8.020 0.818 333 HH11 ARG 40 1HH1 ARG 40 -7.725 7.949 1.349 334 HH12 ARG 40 2HH1 ARG 40 -7.574 7.242 2.918 335 HH21 ARG 40 1HH2 ARG 40 -4.143 7.145 2.846 336 HH22 ARG 40 2HH2 ARG 40 -5.574 6.773 3.753 337 H ALA 41 H ALA 41 -6.123 4.312 -3.380 338 HA ALA 41 HA ALA 41 -7.027 4.807 -5.968 339 HB1 ALA 41 3HB ALA 41 -8.891 3.332 -5.458 340 HB2 ALA 41 1HB ALA 41 -8.578 3.504 -3.733 341 HB3 ALA 41 2HB ALA 41 -7.398 2.701 -4.767 342 H ASP 42 H ASP 42 -8.007 6.319 -2.978 343 HA ASP 42 HA ASP 42 -10.433 7.489 -3.807 344 HB2 ASP 42 2HB ASP 42 -9.708 7.353 -1.462 345 HB3 ASP 42 3HB ASP 42 -8.402 8.486 -1.792 346 H GLY 43 H GLY 43 -7.178 8.235 -4.655 347 HA2 GLY 43 2HA GLY 43 -6.622 9.585 -6.517 348 HA3 GLY 43 3HA GLY 43 -8.102 10.495 -6.287 349 H SER 44 H SER 44 -5.304 9.739 -4.200 350 HA SER 44 HA SER 44 -4.490 12.513 -4.086 351 HB2 SER 44 2HB SER 44 -6.312 12.518 -2.429 352 HB3 SER 44 3HB SER 44 -5.561 11.169 -1.581 353 HG SER 44 HG SER 44 -5.061 13.809 -1.370 354 H ILE 45 H ILE 45 -2.440 12.812 -3.036 355 HA ILE 45 HA ILE 45 -0.654 10.637 -3.339 356 HB ILE 45 HB ILE 45 -0.213 13.272 -1.905 357 HG12 ILE 45 2HG1 ILE 45 -0.838 13.513 -4.293 358 HG13 ILE 45 3HG1 ILE 45 0.817 14.022 -3.992 359 HG21 ILE 45 1HG2 ILE 45 2.185 12.837 -2.229 360 HG22 ILE 45 2HG2 ILE 45 1.806 11.249 -2.898 361 HG23 ILE 45 3HG2 ILE 45 1.430 11.608 -1.211 362 HD11 ILE 45 3HD1 ILE 45 0.003 11.365 -5.146 363 HD12 ILE 45 1HD1 ILE 45 1.650 11.946 -4.916 364 HD13 ILE 45 2HD1 ILE 45 0.583 12.749 -6.069 365 H GLN 46 H GLN 46 -0.401 8.952 -2.020 366 HA GLN 46 HA GLN 46 -1.398 8.918 0.668 367 HB2 GLN 46 2HB GLN 46 -1.411 6.922 -0.824 368 HB3 GLN 46 3HB GLN 46 0.345 6.886 -0.750 369 HG2 GLN 46 2HG GLN 46 -0.375 5.256 0.775 370 HG3 GLN 46 3HG GLN 46 0.108 6.631 1.763 371 HE21 GLN 46 1HE2 GLN 46 -1.708 4.435 2.383 372 HE22 GLN 46 2HE2 GLN 46 -3.219 5.160 2.793 373 H ASN 47 H ASN 47 -0.259 10.443 1.853 374 HA ASN 47 HA ASN 47 2.637 10.069 2.197 375 HB2 ASN 47 2HB ASN 47 0.750 12.266 3.071 376 HB3 ASN 47 3HB ASN 47 2.440 12.196 3.560 377 HD21 ASN 47 1HD2 ASN 47 0.971 14.159 1.933 378 HD22 ASN 47 2HD2 ASN 47 1.836 14.258 0.444 379 H GLN 48 H GLN 48 -0.149 8.917 3.492 380 HA GLN 48 HA GLN 48 0.662 8.956 6.288 381 HB2 GLN 48 2HB GLN 48 -1.755 7.674 4.977 382 HB3 GLN 48 3HB GLN 48 -1.490 7.852 6.707 383 HG2 GLN 48 2HG GLN 48 -3.033 9.533 6.028 384 HG3 GLN 48 3HG GLN 48 -1.505 10.327 6.394 385 HE21 GLN 48 1HE2 GLN 48 -1.983 12.124 5.124 386 HE22 GLN 48 2HE2 GLN 48 -2.032 12.062 3.402 387 H SER 49 H SER 49 2.292 7.583 6.723 388 HA SER 49 HA SER 49 2.783 5.177 5.284 389 HB2 SER 49 2HB SER 49 4.557 4.777 6.978 390 HB3 SER 49 3HB SER 49 4.629 6.401 6.299 391 HG SER 49 HG SER 49 4.731 5.997 8.743 392 H LEU 50 H LEU 50 2.245 3.107 5.703 393 HA LEU 50 HA LEU 50 0.458 2.633 7.990 394 HB2 LEU 50 2HB LEU 50 -0.099 0.499 6.553 395 HB3 LEU 50 3HB LEU 50 -0.827 2.051 6.199 396 HG LEU 50 HG LEU 50 0.931 2.375 4.412 397 HD11 LEU 50 1HD1 LEU 50 2.603 0.815 5.174 398 HD12 LEU 50 2HD1 LEU 50 2.063 0.381 3.552 399 HD13 LEU 50 3HD1 LEU 50 1.492 -0.535 4.951 400 HD21 LEU 50 3HD2 LEU 50 -0.901 -0.003 4.094 401 HD22 LEU 50 1HD2 LEU 50 -0.189 0.947 2.790 402 HD23 LEU 50 2HD2 LEU 50 -1.352 1.690 3.884 403 H HIS 51 H HIS 51 0.953 1.232 9.563 404 HA HIS 51 HA HIS 51 3.614 0.113 9.630 405 HB2 HIS 51 2HB HIS 51 1.331 0.038 11.620 406 HB3 HIS 51 3HB HIS 51 2.917 -0.668 11.921 407 HD1 HIS 51 HD1 HIS 51 4.789 0.899 12.605 408 HD2 HIS 51 HD2 HIS 51 1.314 2.907 11.519 409 HE1 HIS 51 HE1 HIS 51 5.162 3.292 13.261 410 HE2 HIS 51 HE2 HIS 51 2.995 4.454 12.738 411 H GLU 52 H GLU 52 0.355 -1.092 9.197 412 HA GLU 52 HA GLU 52 1.507 -3.651 8.305 413 HB2 GLU 52 2HB GLU 52 -1.098 -3.332 9.822 414 HB3 GLU 52 3HB GLU 52 -0.535 -4.822 9.088 415 HG2 GLU 52 2HG GLU 52 0.016 -5.127 11.300 416 HG3 GLU 52 3HG GLU 52 1.529 -4.529 10.625 417 H ALA 53 H ALA 53 0.588 -4.517 6.426 418 HA ALA 53 HA ALA 53 -1.563 -2.981 5.133 419 HB1 ALA 53 3HB ALA 53 -0.315 -2.899 3.026 420 HB2 ALA 53 1HB ALA 53 1.076 -3.640 3.821 421 HB3 ALA 53 2HB ALA 53 0.529 -2.038 4.314 422 H LEU 54 H LEU 54 -2.338 -4.080 3.104 423 HA LEU 54 HA LEU 54 -2.329 -7.017 3.454 424 HB2 LEU 54 2HB LEU 54 -4.607 -5.212 2.629 425 HB3 LEU 54 3HB LEU 54 -4.673 -6.963 2.629 426 HG LEU 54 HG LEU 54 -4.225 -5.282 5.103 427 HD11 LEU 54 1HD1 LEU 54 -6.451 -4.891 4.179 428 HD12 LEU 54 2HD1 LEU 54 -6.534 -5.808 5.680 429 HD13 LEU 54 3HD1 LEU 54 -6.745 -6.629 4.134 430 HD21 LEU 54 3HD2 LEU 54 -4.718 -7.374 6.294 431 HD22 LEU 54 1HD2 LEU 54 -3.284 -7.523 5.282 432 HD23 LEU 54 2HD2 LEU 54 -4.812 -8.227 4.754 433 H ILE 55 H ILE 55 -1.633 -8.133 1.729 434 HA ILE 55 HA ILE 55 -1.440 -6.771 -0.875 435 HB ILE 55 HB ILE 55 0.656 -7.656 0.046 436 HG12 ILE 55 2HG1 ILE 55 1.362 -9.031 -1.916 437 HG13 ILE 55 3HG1 ILE 55 -0.327 -9.154 -2.401 438 HG21 ILE 55 1HG2 ILE 55 1.031 -10.060 0.295 439 HG22 ILE 55 2HG2 ILE 55 -0.659 -10.370 -0.110 440 HG23 ILE 55 3HG2 ILE 55 -0.251 -9.495 1.367 441 HD11 ILE 55 3HD1 ILE 55 0.840 -7.460 -3.686 442 HD12 ILE 55 1HD1 ILE 55 1.278 -6.612 -2.206 443 HD13 ILE 55 2HD1 ILE 55 -0.415 -6.728 -2.688 444 H THR 56 H THR 56 -2.326 -7.633 -2.745 445 HA THR 56 HA THR 56 -4.440 -9.593 -2.417 446 HB THR 56 HB THR 56 -5.025 -9.168 -4.732 447 HG1 THR 56 HG1 THR 56 -3.549 -8.543 -6.093 448 HG21 THR 56 3HG2 THR 56 -5.790 -7.522 -3.082 449 HG22 THR 56 1HG2 THR 56 -5.476 -6.759 -4.638 450 HG23 THR 56 2HG2 THR 56 -4.316 -6.585 -3.323 451 H ARG 57 H ARG 57 -4.683 -11.456 -3.802 452 HA ARG 57 HA ARG 57 -2.617 -13.282 -3.781 453 HB2 ARG 57 2HB ARG 57 -4.910 -13.956 -3.998 454 HB3 ARG 57 3HB ARG 57 -5.078 -13.102 -5.523 455 HG2 ARG 57 2HG ARG 57 -4.962 -15.466 -5.921 456 HG3 ARG 57 3HG ARG 57 -3.520 -14.690 -6.571 457 HD2 ARG 57 2HD ARG 57 -2.209 -15.443 -4.689 458 HD3 ARG 57 3HD ARG 57 -3.648 -16.086 -3.895 459 HE ARG 57 HE ARG 57 -3.788 -17.570 -5.958 460 HH11 ARG 57 1HH1 ARG 57 -0.829 -16.508 -4.541 461 HH12 ARG 57 2HH1 ARG 57 0.070 -17.850 -5.162 462 HH21 ARG 57 1HH2 ARG 57 -2.650 -19.275 -6.735 463 HH22 ARG 57 2HH2 ARG 57 -0.960 -19.411 -6.393 464 H ASP 58 H ASP 58 -3.408 -10.971 -6.327 465 HA ASP 58 HA ASP 58 -1.581 -12.209 -8.236 466 HB2 ASP 58 2HB ASP 58 -3.080 -9.625 -8.630 467 HB3 ASP 58 3HB ASP 58 -2.537 -10.777 -9.849 468 H ARG 59 H ARG 59 -0.988 -10.237 -5.687 469 HA ARG 59 HA ARG 59 0.428 -8.512 -5.167 470 HB2 ARG 59 2HB ARG 59 1.945 -9.663 -7.533 471 HB3 ARG 59 3HB ARG 59 2.618 -8.517 -6.379 472 HG2 ARG 59 2HG ARG 59 1.534 -11.198 -5.538 473 HG3 ARG 59 3HG ARG 59 3.201 -10.976 -6.065 474 HD2 ARG 59 2HD ARG 59 3.641 -9.449 -4.271 475 HD3 ARG 59 3HD ARG 59 1.938 -9.403 -3.820 476 HE ARG 59 HE ARG 59 2.286 -11.885 -3.335 477 HH11 ARG 59 1HH1 ARG 59 4.832 -9.571 -3.005 478 HH12 ARG 59 2HH1 ARG 59 5.557 -10.418 -1.678 479 HH21 ARG 59 1HH2 ARG 59 3.265 -12.955 -1.655 480 HH22 ARG 59 2HH2 ARG 59 4.691 -12.284 -0.931 481 H LYS 60 H LYS 60 -1.733 -7.596 -6.491 482 HA LYS 60 HA LYS 60 -0.733 -5.756 -8.583 483 HB2 LYS 60 2HB LYS 60 -2.971 -5.757 -9.543 484 HB3 LYS 60 3HB LYS 60 -2.365 -7.402 -9.415 485 HG2 LYS 60 2HG LYS 60 -3.703 -7.611 -7.282 486 HG3 LYS 60 3HG LYS 60 -4.439 -6.061 -7.686 487 HD2 LYS 60 2HD LYS 60 -5.265 -7.001 -9.796 488 HD3 LYS 60 3HD LYS 60 -4.515 -8.549 -9.406 489 HE2 LYS 60 2HE LYS 60 -5.947 -8.564 -7.308 490 HE3 LYS 60 3HE LYS 60 -6.816 -7.195 -8.001 491 HZ1 LYS 60 3HZ LYS 60 -7.312 -8.606 -9.943 492 HZ2 LYS 60 1HZ LYS 60 -7.972 -9.210 -8.505 493 HZ3 LYS 60 2HZ LYS 60 -6.583 -9.919 -9.159 494 H GLN 61 H GLN 61 -2.655 -5.986 -5.636 495 HA GLN 61 HA GLN 61 -2.547 -3.058 -5.405 496 HB2 GLN 61 2HB GLN 61 -5.034 -4.745 -5.012 497 HB3 GLN 61 3HB GLN 61 -4.885 -3.080 -4.463 498 HG2 GLN 61 2HG GLN 61 -4.633 -2.298 -6.726 499 HG3 GLN 61 3HG GLN 61 -4.599 -3.953 -7.333 500 HE21 GLN 61 1HE2 GLN 61 -6.367 -3.558 -8.684 501 HE22 GLN 61 2HE2 GLN 61 -7.972 -3.416 -8.066 502 H VAL 62 H VAL 62 -2.664 -2.261 -3.240 503 HA VAL 62 HA VAL 62 -2.268 -4.250 -1.101 504 HB VAL 62 HB VAL 62 -0.613 -1.735 -1.468 505 HG11 VAL 62 1HG1 VAL 62 0.693 -2.575 0.454 506 HG12 VAL 62 2HG1 VAL 62 -0.472 -3.881 0.656 507 HG13 VAL 62 3HG1 VAL 62 -0.977 -2.208 0.886 508 HG21 VAL 62 3HG2 VAL 62 0.046 -3.449 -3.063 509 HG22 VAL 62 1HG2 VAL 62 0.177 -4.635 -1.763 510 HG23 VAL 62 2HG2 VAL 62 1.284 -3.262 -1.819 511 H PHE 63 H PHE 63 -3.744 -3.931 0.460 512 HA PHE 63 HA PHE 63 -4.986 -1.294 0.779 513 HB2 PHE 63 2HB PHE 63 -5.760 -4.050 1.734 514 HB3 PHE 63 3HB PHE 63 -6.547 -2.601 2.343 515 HD1 PHE 63 HD2 PHE 63 -5.604 -4.085 -0.966 516 HD2 PHE 63 HD1 PHE 63 -8.529 -2.001 1.335 517 HE1 PHE 63 HE2 PHE 63 -7.133 -4.106 -2.893 518 HE2 PHE 63 HE1 PHE 63 -10.060 -2.023 -0.590 519 HZ PHE 63 HZ PHE 63 -9.365 -3.077 -2.706 520 H ARG 64 H ARG 64 -5.697 -0.994 3.273 521 HA ARG 64 HA ARG 64 -3.105 -0.889 4.694 522 HB2 ARG 64 2HB ARG 64 -3.879 1.283 3.865 523 HB3 ARG 64 3HB ARG 64 -5.396 1.090 4.732 524 HG2 ARG 64 2HG ARG 64 -4.182 1.123 6.863 525 HG3 ARG 64 3HG ARG 64 -2.664 1.322 5.986 526 HD2 ARG 64 2HD ARG 64 -3.463 3.445 5.068 527 HD3 ARG 64 3HD ARG 64 -4.998 3.240 5.918 528 HE ARG 64 HE ARG 64 -2.742 3.155 7.671 529 HH11 ARG 64 1HH1 ARG 64 -4.908 5.280 6.023 530 HH12 ARG 64 2HH1 ARG 64 -4.642 6.572 7.148 531 HH21 ARG 64 1HH2 ARG 64 -2.438 4.806 9.094 532 HH22 ARG 64 2HH2 ARG 64 -3.266 6.305 8.864 533 H ILE 65 H ILE 65 -3.028 -1.214 6.929 534 HA ILE 65 HA ILE 65 -5.531 -2.093 8.241 535 HB ILE 65 HB ILE 65 -2.675 -2.899 8.862 536 HG12 ILE 65 2HG1 ILE 65 -5.030 -4.503 7.819 537 HG13 ILE 65 3HG1 ILE 65 -3.607 -4.035 6.896 538 HG21 ILE 65 1HG2 ILE 65 -3.632 -4.370 10.588 539 HG22 ILE 65 2HG2 ILE 65 -5.226 -3.683 10.280 540 HG23 ILE 65 3HG2 ILE 65 -3.941 -2.666 10.929 541 HD11 ILE 65 3HD1 ILE 65 -3.496 -6.361 7.573 542 HD12 ILE 65 1HD1 ILE 65 -3.647 -5.895 9.266 543 HD13 ILE 65 2HD1 ILE 65 -2.217 -5.427 8.350 544 H GLU 66 H GLU 66 -6.274 -0.802 9.820 545 HA GLU 66 HA GLU 66 -4.459 1.229 10.958 546 HB2 GLU 66 2HB GLU 66 -6.411 2.164 9.844 547 HB3 GLU 66 3HB GLU 66 -7.483 1.155 10.802 548 HG2 GLU 66 2HG GLU 66 -7.535 3.386 11.668 549 HG3 GLU 66 3HG GLU 66 -6.735 2.339 12.835 550 H ASP 67 H ASP 67 -4.137 1.396 13.138 551 HA ASP 67 HA ASP 67 -3.827 0.632 15.255 552 HB2 ASP 67 2HB ASP 67 -6.224 1.283 15.420 553 HB3 ASP 67 3HB ASP 67 -6.681 -0.356 14.983 554 H SER 68 H SER 68 -6.068 -1.995 14.610 555 HA SER 68 HA SER 68 -3.937 -3.874 13.926 556 HB2 SER 68 2HB SER 68 -5.760 -4.228 16.325 557 HB3 SER 68 3HB SER 68 -4.806 -5.534 15.620 558 HG SER 68 HG SER 68 -3.989 -3.320 17.120 559 H ILE 69 H ILE 69 -6.602 -2.594 12.937 560 HA ILE 69 HA ILE 69 -8.104 -5.060 12.330 561 HB ILE 69 HB ILE 69 -9.119 -2.208 12.247 562 HG12 ILE 69 2HG1 ILE 69 -8.563 -2.794 14.551 563 HG13 ILE 69 3HG1 ILE 69 -10.311 -2.756 14.354 564 HG21 ILE 69 1HG2 ILE 69 -10.338 -3.745 10.782 565 HG22 ILE 69 2HG2 ILE 69 -11.338 -3.226 12.140 566 HG23 ILE 69 3HG2 ILE 69 -10.610 -4.832 12.144 567 HD11 ILE 69 3HD1 ILE 69 -10.372 -5.180 14.274 568 HD12 ILE 69 1HD1 ILE 69 -9.569 -4.618 15.739 569 HD13 ILE 69 2HD1 ILE 69 -8.614 -5.241 14.396 570 HA PRO 70 HA PRO 70 -6.865 -4.485 8.029 571 HB2 PRO 70 2HB PRO 70 -9.169 -6.275 7.484 572 HB3 PRO 70 3HB PRO 70 -7.466 -6.471 7.059 573 HG2 PRO 70 2HG PRO 70 -8.592 -7.945 8.987 574 HG3 PRO 70 3HG PRO 70 -6.915 -7.374 9.121 575 HD2 PRO 70 2HD PRO 70 -9.395 -6.305 10.429 576 HD3 PRO 70 3HD PRO 70 -7.766 -6.525 11.107 577 H VAL 71 H VAL 71 -7.424 -2.522 7.196 578 HA VAL 71 HA VAL 71 -10.192 -1.650 7.116 579 HB VAL 71 HB VAL 71 -7.717 -0.290 6.017 580 HG11 VAL 71 1HG1 VAL 71 -10.503 0.790 6.501 581 HG12 VAL 71 2HG1 VAL 71 -9.744 0.517 4.933 582 HG13 VAL 71 3HG1 VAL 71 -9.105 1.750 6.018 583 HG21 VAL 71 3HG2 VAL 71 -7.563 -0.591 8.432 584 HG22 VAL 71 1HG2 VAL 71 -9.161 0.129 8.641 585 HG23 VAL 71 2HG2 VAL 71 -7.824 1.107 8.037 586 H LEU 72 H LEU 72 -11.410 -2.667 5.614 587 HA LEU 72 HA LEU 72 -10.289 -3.453 3.047 588 HB2 LEU 72 2HB LEU 72 -13.111 -3.822 4.066 589 HB3 LEU 72 3HB LEU 72 -12.358 -4.658 2.719 590 HG LEU 72 HG LEU 72 -11.625 -4.965 5.642 591 HD11 LEU 72 1HD1 LEU 72 -13.721 -6.070 5.057 592 HD12 LEU 72 2HD1 LEU 72 -12.449 -7.252 5.376 593 HD13 LEU 72 3HD1 LEU 72 -12.926 -6.896 3.716 594 HD21 LEU 72 3HD2 LEU 72 -10.457 -6.329 3.212 595 HD22 LEU 72 1HD2 LEU 72 -10.087 -6.719 4.891 596 HD23 LEU 72 2HD2 LEU 72 -9.641 -5.146 4.233 597 H LEU 73 H LEU 73 -11.022 -0.576 3.908 598 HA LEU 73 HA LEU 73 -13.083 0.218 2.053 599 HB2 LEU 73 2HB LEU 73 -11.170 1.931 3.655 600 HB3 LEU 73 3HB LEU 73 -12.624 2.485 2.845 601 HG LEU 73 HG LEU 73 -12.482 0.647 5.242 602 HD11 LEU 73 1HD1 LEU 73 -13.635 2.462 6.404 603 HD12 LEU 73 2HD1 LEU 73 -13.560 3.452 4.946 604 HD13 LEU 73 3HD1 LEU 73 -12.074 2.986 5.775 605 HD21 LEU 73 3HD2 LEU 73 -14.914 1.604 3.726 606 HD22 LEU 73 1HD2 LEU 73 -14.927 0.693 5.238 607 HD23 LEU 73 2HD2 LEU 73 -14.298 -0.050 3.769 608 HA PRO 74 HA PRO 74 -10.249 0.325 -1.443 609 HB2 PRO 74 2HB PRO 74 -11.965 1.816 -3.062 610 HB3 PRO 74 3HB PRO 74 -11.957 0.058 -2.921 611 HG2 PRO 74 2HG PRO 74 -13.714 2.060 -1.565 612 HG3 PRO 74 3HG PRO 74 -14.131 0.467 -2.226 613 HD2 PRO 74 2HD PRO 74 -13.834 0.838 0.408 614 HD3 PRO 74 3HD PRO 74 -13.280 -0.660 -0.372 615 H GLU 75 H GLU 75 -11.635 3.150 0.107 616 HA GLU 75 HA GLU 75 -10.213 5.144 -1.300 617 HB2 GLU 75 2HB GLU 75 -10.718 6.595 0.627 618 HB3 GLU 75 3HB GLU 75 -12.127 5.687 0.097 619 HG2 GLU 75 2HG GLU 75 -11.574 4.029 1.942 620 HG3 GLU 75 3HG GLU 75 -10.440 5.236 2.547 621 H GLU 76 H GLU 76 -9.269 3.051 1.359 622 HA GLU 76 HA GLU 76 -6.707 4.425 1.707 623 HB2 GLU 76 2HB GLU 76 -7.886 1.998 3.087 624 HB3 GLU 76 3HB GLU 76 -6.318 2.689 3.469 625 HG2 GLU 76 2HG GLU 76 -8.961 4.115 3.750 626 HG3 GLU 76 3HG GLU 76 -8.077 3.335 5.059 627 H ALA 77 H ALA 77 -7.815 2.396 -0.560 628 HA ALA 77 HA ALA 77 -5.820 0.319 -0.546 629 HB1 ALA 77 3HB ALA 77 -7.758 1.107 -2.723 630 HB2 ALA 77 1HB ALA 77 -8.051 -0.085 -1.457 631 HB3 ALA 77 2HB ALA 77 -6.801 -0.375 -2.669 632 H ILE 78 H ILE 78 -4.057 0.071 -1.849 633 HA ILE 78 HA ILE 78 -3.128 2.447 -3.344 634 HB ILE 78 HB ILE 78 -1.466 0.427 -1.814 635 HG12 ILE 78 2HG1 ILE 78 -2.640 1.955 -0.305 636 HG13 ILE 78 3HG1 ILE 78 -0.919 2.329 -0.324 637 HG21 ILE 78 1HG2 ILE 78 0.438 1.909 -2.333 638 HG22 ILE 78 2HG2 ILE 78 -0.614 2.872 -3.370 639 HG23 ILE 78 3HG2 ILE 78 -0.274 1.190 -3.777 640 HD11 ILE 78 3HD1 ILE 78 -2.236 4.351 -0.320 641 HD12 ILE 78 1HD1 ILE 78 -3.083 3.835 -1.776 642 HD13 ILE 78 2HD1 ILE 78 -1.358 4.203 -1.843 643 H ALA 79 H ALA 79 -2.564 2.152 -5.438 644 HA ALA 79 HA ALA 79 -2.645 -0.536 -6.577 645 HB1 ALA 79 3HB ALA 79 -3.844 1.281 -7.707 646 HB2 ALA 79 1HB ALA 79 -2.602 0.579 -8.743 647 HB3 ALA 79 2HB ALA 79 -2.320 2.134 -7.954 648 H THR 80 H THR 80 -0.873 -1.702 -7.131 649 HA THR 80 HA THR 80 1.688 -0.952 -6.224 650 HB THR 80 HB THR 80 2.548 -2.946 -7.409 651 HG1 THR 80 HG1 THR 80 -0.115 -3.412 -8.287 652 HG21 THR 80 3HG2 THR 80 1.198 -4.612 -6.202 653 HG22 THR 80 1HG2 THR 80 -0.052 -3.395 -5.929 654 HG23 THR 80 2HG2 THR 80 1.539 -3.206 -5.195 655 H ILE 81 H ILE 81 0.162 -0.383 -9.292 656 HA ILE 81 HA ILE 81 2.464 0.073 -10.867 657 HB ILE 81 HB ILE 81 0.327 -0.224 -11.925 658 HG12 ILE 81 2HG1 ILE 81 1.275 2.617 -12.405 659 HG13 ILE 81 3HG1 ILE 81 2.031 1.176 -13.081 660 HG21 ILE 81 1HG2 ILE 81 -0.529 2.355 -10.617 661 HG22 ILE 81 2HG2 ILE 81 -1.104 0.738 -10.212 662 HG23 ILE 81 3HG2 ILE 81 -1.471 1.432 -11.793 663 HD11 ILE 81 3HD1 ILE 81 -0.005 0.669 -14.303 664 HD12 ILE 81 1HD1 ILE 81 0.593 2.279 -14.696 665 HD13 ILE 81 2HD1 ILE 81 -0.785 2.094 -13.613 666 H GLN 82 H GLN 82 0.896 2.044 -8.445 667 HA GLN 82 HA GLN 82 2.451 4.419 -9.092 668 HB2 GLN 82 2HB GLN 82 0.418 3.733 -6.993 669 HB3 GLN 82 3HB GLN 82 1.458 5.127 -6.761 670 HG2 GLN 82 2HG GLN 82 -0.691 5.755 -7.704 671 HG3 GLN 82 3HG GLN 82 0.628 6.128 -8.806 672 HE21 GLN 82 1HE2 GLN 82 0.784 5.010 -10.744 673 HE22 GLN 82 2HE2 GLN 82 -0.501 4.032 -11.350 674 H ILE 83 H ILE 83 3.176 1.541 -7.603 675 HA ILE 83 HA ILE 83 4.996 2.724 -5.617 676 HB ILE 83 HB ILE 83 4.304 -0.204 -5.993 677 HG12 ILE 83 2HG1 ILE 83 2.299 1.064 -5.356 678 HG13 ILE 83 3HG1 ILE 83 2.844 0.058 -4.019 679 HG21 ILE 83 1HG2 ILE 83 5.265 -0.476 -3.752 680 HG22 ILE 83 2HG2 ILE 83 5.673 1.241 -3.717 681 HG23 ILE 83 3HG2 ILE 83 6.451 0.173 -4.887 682 HD11 ILE 83 3HD1 ILE 83 2.143 2.233 -3.235 683 HD12 ILE 83 1HD1 ILE 83 3.301 3.018 -4.307 684 HD13 ILE 83 2HD1 ILE 83 3.872 2.013 -2.973 685 H ALA 84 H ALA 84 6.793 3.368 -6.745 686 HA ALA 84 HA ALA 84 8.014 1.893 -8.843 687 HB1 ALA 84 3HB ALA 84 9.198 4.058 -7.103 688 HB2 ALA 84 1HB ALA 84 8.281 4.314 -8.588 689 HB3 ALA 84 2HB ALA 84 9.844 3.497 -8.645 690 H ASN 85 H ASN 85 8.171 1.536 -5.431 691 HA ASN 85 HA ASN 85 10.774 0.192 -5.507 692 HB2 ASN 85 2HB ASN 85 9.015 0.762 -3.110 693 HB3 ASN 85 3HB ASN 85 10.697 0.239 -3.083 694 HD21 ASN 85 1HD2 ASN 85 9.466 2.605 -1.945 695 HD22 ASN 85 2HD2 ASN 85 10.281 3.961 -2.642 696 H PHE 86 H PHE 86 7.658 -0.757 -6.054 697 HA PHE 86 HA PHE 86 7.273 -2.977 -4.406 698 HB2 PHE 86 2HB PHE 86 5.606 -1.804 -5.963 699 HB3 PHE 86 3HB PHE 86 6.268 -2.808 -7.249 700 HD1 PHE 86 HD1 PHE 86 4.846 -3.032 -3.841 701 HD2 PHE 86 HD2 PHE 86 5.328 -4.925 -7.622 702 HE1 PHE 86 HE1 PHE 86 3.344 -4.855 -3.115 703 HE2 PHE 86 HE2 PHE 86 3.829 -6.745 -6.911 704 HZ PHE 86 HZ PHE 86 2.838 -6.714 -4.653 705 HA PRO 87 HA PRO 87 10.258 -6.007 -5.960 706 HB2 PRO 87 2HB PRO 87 8.195 -7.866 -4.861 707 HB3 PRO 87 3HB PRO 87 9.939 -7.827 -4.577 708 HG2 PRO 87 2HG PRO 87 8.262 -6.957 -2.708 709 HG3 PRO 87 3HG PRO 87 9.781 -6.096 -3.025 710 HD2 PRO 87 2HD PRO 87 6.988 -5.389 -3.856 711 HD3 PRO 87 3HD PRO 87 8.302 -4.330 -3.298 712 H ASP 88 H ASP 88 10.365 -7.414 -7.742 713 HA ASP 88 HA ASP 88 8.644 -6.857 -9.844 714 HB2 ASP 88 2HB ASP 88 9.797 -8.675 -11.063 715 HB3 ASP 88 3HB ASP 88 10.912 -7.601 -10.230 716 H LYS 89 H LYS 89 6.551 -7.295 -9.900 717 HA LYS 89 HA LYS 89 5.400 -9.650 -8.714 718 HB2 LYS 89 2HB LYS 89 3.264 -8.762 -9.777 719 HB3 LYS 89 3HB LYS 89 4.041 -7.719 -8.595 720 HG2 LYS 89 2HG LYS 89 4.962 -6.337 -10.343 721 HG3 LYS 89 3HG LYS 89 4.349 -7.429 -11.580 722 HD2 LYS 89 2HD LYS 89 2.563 -5.958 -9.635 723 HD3 LYS 89 3HD LYS 89 3.004 -5.320 -11.220 724 HE2 LYS 89 2HE LYS 89 0.947 -6.339 -11.615 725 HE3 LYS 89 3HE LYS 89 2.106 -7.561 -12.133 726 HZ1 LYS 89 3HZ LYS 89 0.818 -7.529 -9.464 727 HZ2 LYS 89 1HZ LYS 89 1.765 -8.763 -10.124 728 HZ3 LYS 89 2HZ LYS 89 0.248 -8.425 -10.786 729 H LEU 90 H LEU 90 5.515 -11.572 -9.646 730 HA LEU 90 HA LEU 90 6.111 -11.895 -12.440 731 HB2 LEU 90 2HB LEU 90 6.986 -13.354 -10.570 732 HB3 LEU 90 3HB LEU 90 5.380 -14.040 -10.441 733 HG LEU 90 HG LEU 90 5.565 -14.840 -12.793 734 HD11 LEU 90 1HD1 LEU 90 7.750 -14.842 -13.884 735 HD12 LEU 90 2HD1 LEU 90 8.420 -13.881 -12.565 736 HD13 LEU 90 3HD1 LEU 90 7.175 -13.198 -13.612 737 HD21 LEU 90 3HD2 LEU 90 7.760 -15.769 -10.934 738 HD22 LEU 90 1HD2 LEU 90 7.127 -16.667 -12.316 739 HD23 LEU 90 2HD2 LEU 90 6.087 -16.332 -10.933 740 H GLU 91 H GLU 91 4.164 -10.790 -13.216 741 HA GLU 91 HA GLU 91 1.652 -12.292 -12.959 742 HB2 GLU 91 2HB GLU 91 1.718 -9.849 -12.437 743 HB3 GLU 91 3HB GLU 91 2.134 -9.535 -14.115 744 HG2 GLU 91 2HG GLU 91 0.006 -10.413 -14.847 745 HG3 GLU 91 3HG GLU 91 -0.400 -10.883 -13.196 746 H HIS 92 H HIS 92 0.387 -12.847 -14.841 747 HA HIS 92 HA HIS 92 1.783 -12.854 -17.418 748 HB2 HIS 92 2HB HIS 92 2.552 -14.845 -16.089 749 HB3 HIS 92 3HB HIS 92 0.893 -15.424 -16.073 750 HD1 HIS 92 HD1 HIS 92 3.856 -15.001 -18.325 751 HD2 HIS 92 HD2 HIS 92 0.036 -16.627 -18.447 752 HE1 HIS 92 HE1 HIS 92 3.786 -16.383 -20.412 753 HE2 HIS 92 HE2 HIS 92 1.567 -17.557 -20.310 754 H HIS 93 H HIS 93 0.331 -12.245 -18.897 755 HA HIS 93 HA HIS 93 -1.536 -12.078 -20.177 756 HB2 HIS 93 2HB HIS 93 -2.219 -14.662 -18.779 757 HB3 HIS 93 3HB HIS 93 -3.265 -13.951 -20.000 758 HD1 HIS 93 HD1 HIS 93 -2.011 -16.716 -20.424 759 HD2 HIS 93 HD2 HIS 93 -0.353 -13.169 -21.813 760 HE1 HIS 93 HE1 HIS 93 -0.536 -17.370 -22.344 761 HE2 HIS 93 HE2 HIS 93 0.352 -15.201 -23.250 762 H HIS 94 H HIS 94 -1.584 -11.132 -17.149 763 HA HIS 94 HA HIS 94 -4.412 -11.055 -16.587 764 HB2 HIS 94 2HB HIS 94 -2.797 -11.066 -14.757 765 HB3 HIS 94 3HB HIS 94 -2.110 -9.551 -15.324 766 HD1 HIS 94 HD1 HIS 94 -2.688 -7.930 -13.535 767 HD2 HIS 94 HD2 HIS 94 -5.940 -10.303 -14.580 768 HE1 HIS 94 HE1 HIS 94 -4.639 -7.001 -12.256 769 HE2 HIS 94 HE2 HIS 94 -6.619 -8.356 -13.020 770 H HIS 95 H HIS 95 -2.240 -9.103 -18.424 771 HA HIS 95 HA HIS 95 -4.498 -7.287 -19.010 772 HB2 HIS 95 2HB HIS 95 -1.539 -6.623 -19.048 773 HB3 HIS 95 3HB HIS 95 -2.807 -5.560 -19.653 774 HD1 HIS 95 HD1 HIS 95 -0.894 -6.241 -16.680 775 HD2 HIS 95 HD2 HIS 95 -4.725 -4.848 -17.484 776 HE1 HIS 95 HE1 HIS 95 -1.658 -5.119 -14.570 777 HE2 HIS 95 HE2 HIS 95 -4.018 -4.384 -15.040 778 H HIS 96 H HIS 96 -5.339 -7.970 -20.891 779 HA HIS 96 HA HIS 96 -3.518 -8.449 -23.148 780 HB2 HIS 96 2HB HIS 96 -4.026 -10.663 -22.241 781 HB3 HIS 96 3HB HIS 96 -5.755 -10.324 -22.324 782 HD1 HIS 96 HD1 HIS 96 -2.782 -11.014 -24.541 783 HD2 HIS 96 HD2 HIS 96 -6.923 -10.740 -24.810 784 HE1 HIS 96 HE1 HIS 96 -3.364 -11.821 -26.847 785 HE2 HIS 96 HE2 HIS 96 -5.840 -11.458 -27.044 786 H HIS 97 H HIS 97 -4.085 -7.261 -24.828 787 HA HIS 97 HA HIS 97 -6.781 -6.234 -25.150 788 HB2 HIS 97 2HB HIS 97 -4.950 -4.747 -25.680 789 HB3 HIS 97 3HB HIS 97 -4.267 -5.914 -26.809 790 HD1 HIS 97 HD1 HIS 97 -5.341 -6.098 -29.125 791 HD2 HIS 97 HD2 HIS 97 -7.141 -3.270 -26.677 792 HE1 HIS 97 HE1 HIS 97 -6.826 -4.758 -30.629 793 HE2 HIS 97 HE2 HIS 97 -8.067 -3.212 -29.089 Start of MODEL 3 1 H1 MET 1 1H MET 1 5.885 -16.856 -15.719 2 H2 MET 1 2H MET 1 7.420 -16.642 -15.053 3 H3 MET 1 3H MET 1 6.651 -18.140 -14.929 4 HA MET 1 HA MET 1 7.606 -16.866 -17.433 5 HB2 MET 1 2HB MET 1 8.600 -19.263 -15.866 6 HB3 MET 1 3HB MET 1 9.154 -18.847 -17.482 7 HG2 MET 1 2HG MET 1 9.464 -17.156 -15.007 8 HG3 MET 1 3HG MET 1 10.731 -18.087 -15.806 9 HE1 MET 1 3HE MET 1 10.111 -17.632 -18.872 10 HE2 MET 1 1HE MET 1 11.733 -17.506 -18.192 11 HE3 MET 1 2HE MET 1 11.105 -16.219 -19.221 12 H ASP 2 H ASP 2 4.948 -17.488 -17.239 13 HA ASP 2 HA ASP 2 4.385 -20.243 -17.881 14 HB2 ASP 2 2HB ASP 2 2.485 -17.896 -17.967 15 HB3 ASP 2 3HB ASP 2 2.107 -19.590 -17.645 16 H ARG 3 H ARG 3 6.044 -19.168 -19.893 17 HA ARG 3 HA ARG 3 4.538 -18.024 -22.040 18 HB2 ARG 3 2HB ARG 3 6.668 -18.321 -23.347 19 HB3 ARG 3 3HB ARG 3 6.804 -17.369 -21.877 20 HG2 ARG 3 2HG ARG 3 7.740 -19.328 -20.714 21 HG3 ARG 3 3HG ARG 3 7.650 -20.243 -22.221 22 HD2 ARG 3 2HD ARG 3 9.909 -19.276 -21.728 23 HD3 ARG 3 3HD ARG 3 9.229 -18.800 -23.284 24 HE ARG 3 HE ARG 3 8.576 -16.891 -21.300 25 HH11 ARG 3 1HH1 ARG 3 11.247 -17.974 -23.183 26 HH12 ARG 3 2HH1 ARG 3 11.997 -16.417 -23.208 27 HH21 ARG 3 1HH2 ARG 3 9.531 -14.904 -21.353 28 HH22 ARG 3 2HH2 ARG 3 11.048 -14.701 -22.162 29 H LYS 4 H LYS 4 5.075 -21.313 -21.128 30 HA LYS 4 HA LYS 4 4.246 -22.234 -23.777 31 HB2 LYS 4 2HB LYS 4 5.049 -23.676 -21.262 32 HB3 LYS 4 3HB LYS 4 4.218 -24.528 -22.561 33 HG2 LYS 4 2HG LYS 4 6.005 -23.780 -24.124 34 HG3 LYS 4 3HG LYS 4 6.866 -23.093 -22.743 35 HD2 LYS 4 2HD LYS 4 7.102 -25.271 -21.739 36 HD3 LYS 4 3HD LYS 4 6.076 -26.001 -22.976 37 HE2 LYS 4 2HE LYS 4 8.454 -26.443 -23.393 38 HE3 LYS 4 3HE LYS 4 7.737 -25.488 -24.687 39 HZ1 LYS 4 3HZ LYS 4 9.925 -24.667 -24.035 40 HZ2 LYS 4 1HZ LYS 4 9.371 -24.392 -22.461 41 HZ3 LYS 4 2HZ LYS 4 8.728 -23.507 -23.750 42 H LEU 5 H LEU 5 2.826 -21.405 -20.758 43 HA LEU 5 HA LEU 5 0.323 -22.772 -21.240 44 HB2 LEU 5 2HB LEU 5 1.107 -20.664 -19.213 45 HB3 LEU 5 3HB LEU 5 -0.490 -21.378 -19.300 46 HG LEU 5 HG LEU 5 0.719 -22.437 -17.519 47 HD11 LEU 5 1HD1 LEU 5 -0.753 -23.870 -18.819 48 HD12 LEU 5 2HD1 LEU 5 0.628 -24.776 -18.201 49 HD13 LEU 5 3HD1 LEU 5 0.578 -24.289 -19.896 50 HD21 LEU 5 3HD2 LEU 5 2.998 -21.925 -18.272 51 HD22 LEU 5 1HD2 LEU 5 2.857 -23.149 -19.534 52 HD23 LEU 5 2HD2 LEU 5 2.817 -23.622 -17.835 53 H LEU 6 H LEU 6 0.901 -19.296 -20.695 54 HA LEU 6 HA LEU 6 0.219 -17.409 -21.752 55 HB2 LEU 6 2HB LEU 6 -0.173 -19.230 -24.124 56 HB3 LEU 6 3HB LEU 6 -0.146 -17.478 -24.183 57 HG LEU 6 HG LEU 6 2.175 -19.255 -23.407 58 HD11 LEU 6 1HD1 LEU 6 3.167 -18.503 -25.504 59 HD12 LEU 6 2HD1 LEU 6 1.707 -17.589 -25.882 60 HD13 LEU 6 3HD1 LEU 6 1.647 -19.349 -25.792 61 HD21 LEU 6 3HD2 LEU 6 2.028 -16.253 -23.717 62 HD22 LEU 6 1HD2 LEU 6 3.490 -17.191 -23.412 63 HD23 LEU 6 2HD2 LEU 6 2.212 -17.132 -22.196 64 H HIS 7 H HIS 7 -1.995 -19.987 -21.438 65 HA HIS 7 HA HIS 7 -4.221 -18.812 -22.790 66 HB2 HIS 7 2HB HIS 7 -4.196 -21.053 -20.760 67 HB3 HIS 7 3HB HIS 7 -5.518 -20.659 -21.856 68 HD1 HIS 7 HD1 HIS 7 -2.804 -22.929 -21.552 69 HD2 HIS 7 HD2 HIS 7 -4.502 -20.844 -24.720 70 HE1 HIS 7 HE1 HIS 7 -2.055 -24.126 -23.624 71 HE2 HIS 7 HE2 HIS 7 -3.177 -22.917 -25.518 72 H LEU 8 H LEU 8 -2.832 -18.121 -19.797 73 HA LEU 8 HA LEU 8 -5.221 -17.532 -18.330 74 HB2 LEU 8 2HB LEU 8 -2.357 -16.679 -17.853 75 HB3 LEU 8 3HB LEU 8 -3.678 -16.384 -16.740 76 HG LEU 8 HG LEU 8 -2.475 -18.252 -15.899 77 HD11 LEU 8 1HD1 LEU 8 -4.890 -18.456 -15.728 78 HD12 LEU 8 2HD1 LEU 8 -4.137 -20.040 -15.916 79 HD13 LEU 8 3HD1 LEU 8 -4.946 -19.279 -17.288 80 HD21 LEU 8 3HD2 LEU 8 -1.248 -18.873 -17.917 81 HD22 LEU 8 1HD2 LEU 8 -2.722 -19.539 -18.622 82 HD23 LEU 8 2HD2 LEU 8 -2.018 -20.283 -17.189 83 H LEU 9 H LEU 9 -6.311 -16.263 -19.969 84 HA LEU 9 HA LEU 9 -5.384 -13.782 -20.936 85 HB2 LEU 9 2HB LEU 9 -7.583 -13.391 -21.715 86 HB3 LEU 9 3HB LEU 9 -7.321 -15.117 -21.837 87 HG LEU 9 HG LEU 9 -8.916 -13.743 -19.655 88 HD11 LEU 9 1HD1 LEU 9 -9.868 -15.375 -22.009 89 HD12 LEU 9 2HD1 LEU 9 -10.024 -13.626 -21.830 90 HD13 LEU 9 3HD1 LEU 9 -10.878 -14.704 -20.727 91 HD21 LEU 9 3HD2 LEU 9 -8.558 -16.689 -20.236 92 HD22 LEU 9 1HD2 LEU 9 -9.634 -15.995 -19.021 93 HD23 LEU 9 2HD2 LEU 9 -7.887 -15.810 -18.858 94 H CYS 10 H CYS 10 -6.824 -14.668 -17.919 95 HA CYS 10 HA CYS 10 -6.282 -12.061 -16.787 96 HB2 CYS 10 2HB CYS 10 -8.577 -11.750 -17.652 97 HB3 CYS 10 3HB CYS 10 -9.108 -13.172 -16.761 98 HG CYS 10 HG CYS 10 -9.962 -10.706 -15.562 99 H SER 11 H SER 11 -6.962 -12.141 -14.349 100 HA SER 11 HA SER 11 -6.054 -14.745 -13.323 101 HB2 SER 11 2HB SER 11 -5.944 -11.985 -12.086 102 HB3 SER 11 3HB SER 11 -5.478 -13.460 -11.240 103 HG SER 11 HG SER 11 -3.669 -13.497 -12.314 104 HA PRO 12 HA PRO 12 -10.329 -15.018 -11.691 105 HB2 PRO 12 2HB PRO 12 -10.316 -17.715 -11.423 106 HB3 PRO 12 3HB PRO 12 -10.635 -16.925 -12.972 107 HG2 PRO 12 2HG PRO 12 -8.085 -18.134 -11.953 108 HG3 PRO 12 3HG PRO 12 -8.830 -18.291 -13.555 109 HD2 PRO 12 2HD PRO 12 -6.777 -16.582 -13.053 110 HD3 PRO 12 3HD PRO 12 -8.029 -16.240 -14.265 111 H ASP 13 H ASP 13 -7.307 -15.257 -10.456 112 HA ASP 13 HA ASP 13 -7.864 -16.386 -7.864 113 HB2 ASP 13 2HB ASP 13 -5.638 -16.442 -9.072 114 HB3 ASP 13 3HB ASP 13 -5.497 -14.719 -8.752 115 H THR 14 H THR 14 -8.324 -13.369 -9.375 116 HA THR 14 HA THR 14 -7.929 -11.586 -7.198 117 HB THR 14 HB THR 14 -9.355 -10.005 -8.558 118 HG1 THR 14 HG1 THR 14 -9.262 -11.539 -10.818 119 HG21 THR 14 3HG2 THR 14 -6.912 -10.099 -8.834 120 HG22 THR 14 1HG2 THR 14 -7.719 -9.762 -10.364 121 HG23 THR 14 2HG2 THR 14 -7.099 -11.380 -10.033 122 H ARG 15 H ARG 15 -10.448 -13.817 -7.814 123 HA ARG 15 HA ARG 15 -12.467 -12.398 -6.288 124 HB2 ARG 15 2HB ARG 15 -13.798 -14.490 -6.551 125 HB3 ARG 15 3HB ARG 15 -13.255 -13.806 -8.078 126 HG2 ARG 15 2HG ARG 15 -11.497 -15.448 -8.241 127 HG3 ARG 15 3HG ARG 15 -11.897 -16.088 -6.648 128 HD2 ARG 15 2HD ARG 15 -13.842 -16.065 -8.952 129 HD3 ARG 15 3HD ARG 15 -12.752 -17.411 -8.622 130 HE ARG 15 HE ARG 15 -14.662 -16.486 -6.579 131 HH11 ARG 15 1HH1 ARG 15 -13.425 -18.974 -8.612 132 HH12 ARG 15 2HH1 ARG 15 -14.348 -20.213 -7.837 133 HH21 ARG 15 1HH2 ARG 15 -15.851 -18.098 -5.600 134 HH22 ARG 15 2HH2 ARG 15 -15.686 -19.729 -6.149 135 H GLN 16 H GLN 16 -9.728 -14.061 -5.404 136 HA GLN 16 HA GLN 16 -10.804 -15.369 -3.047 137 HB2 GLN 16 2HB GLN 16 -7.924 -14.877 -3.860 138 HB3 GLN 16 3HB GLN 16 -8.453 -15.912 -2.540 139 HG2 GLN 16 2HG GLN 16 -8.921 -16.333 -5.485 140 HG3 GLN 16 3HG GLN 16 -7.872 -17.275 -4.425 141 HE21 GLN 16 1HE2 GLN 16 -8.844 -18.674 -2.890 142 HE22 GLN 16 2HE2 GLN 16 -10.469 -19.228 -3.100 143 HA PRO 17 HA PRO 17 -10.511 -12.018 -0.172 144 HB2 PRO 17 2HB PRO 17 -9.546 -13.203 2.089 145 HB3 PRO 17 3HB PRO 17 -11.190 -13.455 1.491 146 HG2 PRO 17 2HG PRO 17 -8.758 -15.179 1.124 147 HG3 PRO 17 3HG PRO 17 -10.406 -15.659 1.572 148 HD2 PRO 17 2HD PRO 17 -9.498 -15.923 -0.947 149 HD3 PRO 17 3HD PRO 17 -11.185 -15.482 -0.611 150 H LEU 18 H LEU 18 -9.002 -10.938 1.501 151 HA LEU 18 HA LEU 18 -6.501 -10.400 0.133 152 HB2 LEU 18 2HB LEU 18 -7.757 -9.115 2.563 153 HB3 LEU 18 3HB LEU 18 -6.299 -8.550 1.769 154 HG LEU 18 HG LEU 18 -9.048 -8.645 0.510 155 HD11 LEU 18 1HD1 LEU 18 -8.959 -6.206 0.635 156 HD12 LEU 18 2HD1 LEU 18 -7.416 -6.300 1.483 157 HD13 LEU 18 3HD1 LEU 18 -8.879 -6.933 2.240 158 HD21 LEU 18 3HD2 LEU 18 -7.999 -7.359 -1.310 159 HD22 LEU 18 1HD2 LEU 18 -7.309 -8.976 -1.152 160 HD23 LEU 18 2HD2 LEU 18 -6.424 -7.578 -0.541 161 H SER 19 H SER 19 -4.428 -10.428 1.109 162 HA SER 19 HA SER 19 -4.198 -12.250 3.435 163 HB2 SER 19 2HB SER 19 -3.434 -13.356 1.394 164 HB3 SER 19 3HB SER 19 -2.349 -12.011 1.046 165 HG SER 19 HG SER 19 -2.055 -14.111 2.815 166 H LEU 20 H LEU 20 -2.103 -12.036 4.643 167 HA LEU 20 HA LEU 20 -1.728 -9.301 5.414 168 HB2 LEU 20 2HB LEU 20 -1.668 -11.349 6.918 169 HB3 LEU 20 3HB LEU 20 -0.081 -11.689 6.267 170 HG LEU 20 HG LEU 20 -0.109 -10.581 8.523 171 HD11 LEU 20 1HD1 LEU 20 1.881 -10.522 7.104 172 HD12 LEU 20 2HD1 LEU 20 1.725 -9.061 8.076 173 HD13 LEU 20 3HD1 LEU 20 1.309 -9.029 6.361 174 HD21 LEU 20 3HD2 LEU 20 -1.991 -9.063 8.142 175 HD22 LEU 20 1HD2 LEU 20 -1.031 -8.160 6.967 176 HD23 LEU 20 2HD2 LEU 20 -0.549 -8.194 8.664 177 H LEU 21 H LEU 21 -0.301 -7.871 4.602 178 HA LEU 21 HA LEU 21 1.554 -8.666 2.551 179 HB2 LEU 21 2HB LEU 21 0.371 -6.555 2.357 180 HB3 LEU 21 3HB LEU 21 1.064 -5.987 3.862 181 HG LEU 21 HG LEU 21 3.287 -5.895 2.852 182 HD11 LEU 21 1HD1 LEU 21 3.637 -6.330 0.481 183 HD12 LEU 21 2HD1 LEU 21 1.957 -6.840 0.308 184 HD13 LEU 21 3HD1 LEU 21 3.068 -7.784 1.301 185 HD21 LEU 21 3HD2 LEU 21 1.197 -4.540 1.140 186 HD22 LEU 21 1HD2 LEU 21 2.895 -4.080 1.261 187 HD23 LEU 21 2HD2 LEU 21 1.842 -3.932 2.665 188 H GLU 22 H GLU 22 3.331 -9.712 3.118 189 HA GLU 22 HA GLU 22 4.721 -9.708 5.496 190 HB2 GLU 22 2HB GLU 22 5.129 -11.363 3.795 191 HB3 GLU 22 3HB GLU 22 5.711 -10.144 2.671 192 HG2 GLU 22 2HG GLU 22 7.671 -9.767 4.037 193 HG3 GLU 22 3HG GLU 22 7.072 -10.889 5.255 194 H SER 23 H SER 23 6.310 -8.487 6.433 195 HA SER 23 HA SER 23 6.431 -5.760 5.931 196 HB2 SER 23 2HB SER 23 8.470 -7.444 7.408 197 HB3 SER 23 3HB SER 23 8.324 -5.689 7.516 198 HG SER 23 HG SER 23 6.593 -5.889 8.747 199 H LYS 24 H LYS 24 8.517 -8.312 4.710 200 HA LYS 24 HA LYS 24 10.568 -6.857 3.550 201 HB2 LYS 24 2HB LYS 24 10.538 -9.289 3.551 202 HB3 LYS 24 3HB LYS 24 9.144 -9.306 2.487 203 HG2 LYS 24 2HG LYS 24 11.035 -9.873 1.176 204 HG3 LYS 24 3HG LYS 24 10.575 -8.234 0.723 205 HD2 LYS 24 2HD LYS 24 12.684 -8.689 2.816 206 HD3 LYS 24 3HD LYS 24 13.094 -8.834 1.109 207 HE2 LYS 24 2HE LYS 24 12.410 -6.550 0.707 208 HE3 LYS 24 3HE LYS 24 11.825 -6.395 2.360 209 HZ1 LYS 24 3HZ LYS 24 14.638 -6.741 1.496 210 HZ2 LYS 24 1HZ LYS 24 14.129 -6.777 3.110 211 HZ3 LYS 24 2HZ LYS 24 13.947 -5.365 2.194 212 H GLY 25 H GLY 25 7.421 -7.691 2.047 213 HA2 GLY 25 2HA GLY 25 7.833 -5.964 -0.221 214 HA3 GLY 25 3HA GLY 25 6.326 -6.747 0.233 215 H LEU 26 H LEU 26 6.242 -5.654 2.889 216 HA LEU 26 HA LEU 26 4.669 -3.400 2.476 217 HB2 LEU 26 2HB LEU 26 4.544 -4.846 4.443 218 HB3 LEU 26 3HB LEU 26 6.111 -4.275 4.974 219 HG LEU 26 HG LEU 26 5.153 -1.992 5.241 220 HD11 LEU 26 1HD1 LEU 26 2.708 -1.745 5.266 221 HD12 LEU 26 2HD1 LEU 26 2.546 -3.379 4.623 222 HD13 LEU 26 3HD1 LEU 26 3.327 -2.124 3.660 223 HD21 LEU 26 3HD2 LEU 26 5.341 -3.505 7.151 224 HD22 LEU 26 1HD2 LEU 26 3.751 -4.172 6.791 225 HD23 LEU 26 2HD2 LEU 26 3.910 -2.486 7.287 226 H GLU 27 H GLU 27 8.116 -3.567 3.362 227 HA GLU 27 HA GLU 27 8.477 -0.850 3.962 228 HB2 GLU 27 2HB GLU 27 10.842 -1.202 3.615 229 HB3 GLU 27 3HB GLU 27 10.162 -2.593 4.442 230 HG2 GLU 27 2HG GLU 27 10.288 -3.937 2.505 231 HG3 GLU 27 3HG GLU 27 10.587 -2.542 1.468 232 H ALA 28 H ALA 28 8.323 -2.499 0.846 233 HA ALA 28 HA ALA 28 9.393 -0.491 -0.793 234 HB1 ALA 28 3HB ALA 28 7.147 -2.400 -1.465 235 HB2 ALA 28 1HB ALA 28 8.872 -2.752 -1.598 236 HB3 ALA 28 2HB ALA 28 8.148 -1.512 -2.620 237 H LEU 29 H LEU 29 6.122 -0.943 0.463 238 HA LEU 29 HA LEU 29 4.936 1.278 -0.847 239 HB2 LEU 29 2HB LEU 29 4.177 -0.207 1.675 240 HB3 LEU 29 3HB LEU 29 3.208 1.086 1.001 241 HG LEU 29 HG LEU 29 2.240 -1.024 0.372 242 HD11 LEU 29 1HD1 LEU 29 3.625 0.241 -1.991 243 HD12 LEU 29 2HD1 LEU 29 2.088 0.737 -1.281 244 HD13 LEU 29 3HD1 LEU 29 2.227 -0.835 -2.065 245 HD21 LEU 29 3HD2 LEU 29 3.428 -2.689 -0.969 246 HD22 LEU 29 1HD2 LEU 29 4.206 -2.450 0.595 247 HD23 LEU 29 2HD2 LEU 29 4.907 -1.735 -0.856 248 H ASN 30 H ASN 30 6.199 0.894 2.475 249 HA ASN 30 HA ASN 30 5.711 3.514 3.346 250 HB2 ASN 30 2HB ASN 30 7.740 1.461 4.232 251 HB3 ASN 30 3HB ASN 30 7.574 3.026 5.026 252 HD21 ASN 30 1HD2 ASN 30 6.084 -0.065 4.459 253 HD22 ASN 30 2HD2 ASN 30 4.842 0.108 5.649 254 H LYS 31 H LYS 31 8.699 2.173 1.908 255 HA LYS 31 HA LYS 31 10.216 4.531 1.970 256 HB2 LYS 31 2HB LYS 31 10.304 2.235 -0.005 257 HB3 LYS 31 3HB LYS 31 11.520 3.506 0.091 258 HG2 LYS 31 2HG LYS 31 12.064 2.834 2.373 259 HG3 LYS 31 3HG LYS 31 10.829 1.578 2.308 260 HD2 LYS 31 2HD LYS 31 13.293 1.737 0.558 261 HD3 LYS 31 3HD LYS 31 13.067 0.650 1.929 262 HE2 LYS 31 2HE LYS 31 11.117 -0.345 0.744 263 HE3 LYS 31 3HE LYS 31 11.499 0.661 -0.653 264 HZ1 LYS 31 3HZ LYS 31 13.662 -0.425 -0.780 265 HZ2 LYS 31 1HZ LYS 31 12.408 -1.550 -0.899 266 HZ3 LYS 31 2HZ LYS 31 13.273 -1.397 0.547 267 H ALA 32 H ALA 32 7.973 3.305 -0.496 268 HA ALA 32 HA ALA 32 8.296 5.417 -2.341 269 HB1 ALA 32 3HB ALA 32 6.208 4.622 -3.325 270 HB2 ALA 32 1HB ALA 32 5.886 3.653 -1.890 271 HB3 ALA 32 2HB ALA 32 7.265 3.271 -2.920 272 H ILE 33 H ILE 33 6.222 5.050 0.498 273 HA ILE 33 HA ILE 33 4.643 7.363 0.179 274 HB ILE 33 HB ILE 33 5.541 5.919 2.686 275 HG12 ILE 33 2HG1 ILE 33 2.865 5.950 1.255 276 HG13 ILE 33 3HG1 ILE 33 4.066 4.672 1.109 277 HG21 ILE 33 1HG2 ILE 33 3.490 8.124 2.440 278 HG22 ILE 33 2HG2 ILE 33 5.037 8.220 3.283 279 HG23 ILE 33 3HG2 ILE 33 3.771 7.147 3.884 280 HD11 ILE 33 3HD1 ILE 33 2.596 5.456 3.614 281 HD12 ILE 33 1HD1 ILE 33 3.830 4.200 3.504 282 HD13 ILE 33 2HD1 ILE 33 2.310 4.023 2.627 283 H VAL 34 H VAL 34 7.681 6.887 1.999 284 HA VAL 34 HA VAL 34 8.074 9.565 2.771 285 HB VAL 34 HB VAL 34 10.204 7.484 2.190 286 HG11 VAL 34 1HG1 VAL 34 11.587 8.762 3.773 287 HG12 VAL 34 2HG1 VAL 34 10.309 9.971 3.908 288 HG13 VAL 34 3HG1 VAL 34 11.137 9.732 2.370 289 HG21 VAL 34 3HG2 VAL 34 10.093 6.933 4.566 290 HG22 VAL 34 1HG2 VAL 34 8.530 6.665 3.791 291 HG23 VAL 34 2HG2 VAL 34 8.786 8.096 4.791 292 H SER 35 H SER 35 8.923 7.831 -0.180 293 HA SER 35 HA SER 35 10.334 9.999 -1.413 294 HB2 SER 35 2HB SER 35 10.622 7.632 -2.112 295 HB3 SER 35 3HB SER 35 8.967 7.627 -2.722 296 HG SER 35 HG SER 35 11.221 9.029 -3.697 297 H GLY 36 H GLY 36 6.964 9.142 -1.123 298 HA2 GLY 36 2HA GLY 36 5.134 10.543 -1.462 299 HA3 GLY 36 3HA GLY 36 6.183 11.695 -2.265 300 H THR 37 H THR 37 6.112 8.355 -3.298 301 HA THR 37 HA THR 37 4.800 9.223 -5.807 302 HB THR 37 HB THR 37 7.098 8.430 -6.106 303 HG1 THR 37 HG1 THR 37 5.056 6.743 -7.179 304 HG21 THR 37 3HG2 THR 37 7.688 6.073 -5.735 305 HG22 THR 37 1HG2 THR 37 6.104 5.788 -5.012 306 HG23 THR 37 2HG2 THR 37 7.250 6.875 -4.227 307 H VAL 38 H VAL 38 3.617 8.080 -3.182 308 HA VAL 38 HA VAL 38 2.293 5.676 -4.228 309 HB VAL 38 HB VAL 38 2.245 6.881 -1.449 310 HG11 VAL 38 1HG1 VAL 38 0.142 5.749 -1.902 311 HG12 VAL 38 2HG1 VAL 38 1.110 4.791 -0.780 312 HG13 VAL 38 3HG1 VAL 38 1.005 4.322 -2.478 313 HG21 VAL 38 3HG2 VAL 38 3.593 4.400 -2.525 314 HG22 VAL 38 1HG2 VAL 38 3.565 4.902 -0.836 315 HG23 VAL 38 2HG2 VAL 38 4.393 5.893 -2.037 316 H GLN 39 H GLN 39 0.453 5.945 -5.313 317 HA GLN 39 HA GLN 39 -1.350 8.153 -4.591 318 HB2 GLN 39 2HB GLN 39 -1.261 6.427 -7.075 319 HB3 GLN 39 3HB GLN 39 -2.472 7.664 -6.765 320 HG2 GLN 39 2HG GLN 39 -0.678 9.360 -6.666 321 HG3 GLN 39 3HG GLN 39 0.495 8.106 -7.076 322 HE21 GLN 39 1HE2 GLN 39 1.084 9.145 -8.990 323 HE22 GLN 39 2HE2 GLN 39 0.046 9.201 -10.367 324 H ARG 40 H ARG 40 -3.097 7.749 -3.454 325 HA ARG 40 HA ARG 40 -3.958 5.142 -2.682 326 HB2 ARG 40 2HB ARG 40 -4.115 7.386 -1.415 327 HB3 ARG 40 3HB ARG 40 -5.526 7.710 -2.404 328 HG2 ARG 40 2HG ARG 40 -6.589 5.661 -1.480 329 HG3 ARG 40 3HG ARG 40 -5.189 5.465 -0.416 330 HD2 ARG 40 2HD ARG 40 -5.653 7.822 0.409 331 HD3 ARG 40 3HD ARG 40 -7.183 7.731 -0.460 332 HE ARG 40 HE ARG 40 -6.580 5.689 1.557 333 HH11 ARG 40 1HH1 ARG 40 -8.455 8.404 0.535 334 HH12 ARG 40 2HH1 ARG 40 -9.573 8.251 1.848 335 HH21 ARG 40 1HH2 ARG 40 -8.029 5.531 3.238 336 HH22 ARG 40 2HH2 ARG 40 -9.336 6.663 3.345 337 H ALA 41 H ALA 41 -6.409 4.562 -2.929 338 HA ALA 41 HA ALA 41 -6.959 3.895 -5.545 339 HB1 ALA 41 3HB ALA 41 -9.210 3.321 -4.810 340 HB2 ALA 41 1HB ALA 41 -8.994 4.288 -3.351 341 HB3 ALA 41 2HB ALA 41 -8.019 2.842 -3.600 342 H ASP 42 H ASP 42 -7.891 6.851 -3.874 343 HA ASP 42 HA ASP 42 -9.649 7.734 -6.006 344 HB2 ASP 42 2HB ASP 42 -9.998 9.709 -4.623 345 HB3 ASP 42 3HB ASP 42 -10.136 8.255 -3.637 346 H GLY 43 H GLY 43 -6.317 8.052 -5.177 347 HA2 GLY 43 2HA GLY 43 -4.824 8.847 -6.970 348 HA3 GLY 43 3HA GLY 43 -5.964 10.156 -7.238 349 H SER 44 H SER 44 -5.869 9.784 -3.975 350 HA SER 44 HA SER 44 -4.348 12.164 -3.554 351 HB2 SER 44 2HB SER 44 -6.195 11.702 -2.076 352 HB3 SER 44 3HB SER 44 -5.495 10.158 -1.597 353 HG SER 44 HG SER 44 -4.496 11.210 -0.095 354 H ILE 45 H ILE 45 -2.262 12.457 -2.900 355 HA ILE 45 HA ILE 45 -0.418 10.269 -2.953 356 HB ILE 45 HB ILE 45 0.011 13.119 -2.011 357 HG12 ILE 45 2HG1 ILE 45 -0.673 12.975 -4.371 358 HG13 ILE 45 3HG1 ILE 45 1.007 13.473 -4.237 359 HG21 ILE 45 1HG2 ILE 45 1.706 11.632 -1.083 360 HG22 ILE 45 2HG2 ILE 45 2.410 12.662 -2.331 361 HG23 ILE 45 3HG2 ILE 45 2.036 10.975 -2.688 362 HD11 ILE 45 3HD1 ILE 45 1.717 11.192 -4.769 363 HD12 ILE 45 1HD1 ILE 45 0.712 11.888 -6.040 364 HD13 ILE 45 2HD1 ILE 45 0.027 10.711 -4.920 365 H GLN 46 H GLN 46 -0.278 8.811 -1.368 366 HA GLN 46 HA GLN 46 -1.292 9.291 1.258 367 HB2 GLN 46 2HB GLN 46 -1.451 7.081 0.226 368 HB3 GLN 46 3HB GLN 46 0.302 6.954 0.185 369 HG2 GLN 46 2HG GLN 46 0.370 6.980 2.631 370 HG3 GLN 46 3HG GLN 46 -1.386 7.123 2.682 371 HE21 GLN 46 1HE2 GLN 46 -1.586 5.203 3.837 372 HE22 GLN 46 2HE2 GLN 46 -1.341 3.660 3.107 373 H ASN 47 H ASN 47 -0.250 10.579 2.636 374 HA ASN 47 HA ASN 47 2.667 10.477 2.895 375 HB2 ASN 47 2HB ASN 47 0.601 12.201 4.303 376 HB3 ASN 47 3HB ASN 47 2.347 12.347 4.505 377 HD21 ASN 47 1HD2 ASN 47 3.096 11.944 1.810 378 HD22 ASN 47 2HD2 ASN 47 2.571 13.320 0.908 379 H GLN 48 H GLN 48 -0.095 9.073 4.266 380 HA GLN 48 HA GLN 48 0.866 8.634 6.929 381 HB2 GLN 48 2HB GLN 48 -1.365 7.274 5.397 382 HB3 GLN 48 3HB GLN 48 -1.098 7.154 7.132 383 HG2 GLN 48 2HG GLN 48 -1.608 9.465 7.449 384 HG3 GLN 48 3HG GLN 48 -1.639 9.754 5.710 385 HE21 GLN 48 1HE2 GLN 48 -3.702 10.203 7.733 386 HE22 GLN 48 2HE2 GLN 48 -5.080 9.305 7.211 387 H SER 49 H SER 49 2.633 7.390 7.244 388 HA SER 49 HA SER 49 3.340 5.192 5.519 389 HB2 SER 49 2HB SER 49 4.523 6.042 8.185 390 HB3 SER 49 3HB SER 49 5.225 4.851 7.091 391 HG SER 49 HG SER 49 4.632 7.367 6.042 392 H LEU 50 H LEU 50 2.327 3.285 5.605 393 HA LEU 50 HA LEU 50 0.868 2.498 7.981 394 HB2 LEU 50 2HB LEU 50 0.384 0.435 6.354 395 HB3 LEU 50 3HB LEU 50 -0.484 1.952 6.262 396 HG LEU 50 HG LEU 50 1.047 2.666 4.415 397 HD11 LEU 50 1HD1 LEU 50 2.379 0.956 3.266 398 HD12 LEU 50 2HD1 LEU 50 2.031 -0.180 4.570 399 HD13 LEU 50 3HD1 LEU 50 2.972 1.275 4.897 400 HD21 LEU 50 3HD2 LEU 50 -0.492 0.105 3.962 401 HD22 LEU 50 1HD2 LEU 50 0.019 1.233 2.704 402 HD23 LEU 50 2HD2 LEU 50 -1.149 1.742 3.924 403 H HIS 51 H HIS 51 1.635 1.276 9.549 404 HA HIS 51 HA HIS 51 4.218 0.023 9.367 405 HB2 HIS 51 2HB HIS 51 3.470 1.182 11.406 406 HB3 HIS 51 3HB HIS 51 2.172 0.011 11.602 407 HD1 HIS 51 HD1 HIS 51 2.691 -1.943 13.035 408 HD2 HIS 51 HD2 HIS 51 6.134 -0.087 11.626 409 HE1 HIS 51 HE1 HIS 51 4.599 -3.098 14.186 410 HE2 HIS 51 HE2 HIS 51 6.673 -2.019 13.261 411 H GLU 52 H GLU 52 1.008 -1.004 8.823 412 HA GLU 52 HA GLU 52 1.921 -3.656 8.114 413 HB2 GLU 52 2HB GLU 52 1.361 -3.819 10.554 414 HB3 GLU 52 3HB GLU 52 -0.291 -3.363 10.166 415 HG2 GLU 52 2HG GLU 52 -0.626 -5.374 8.912 416 HG3 GLU 52 3HG GLU 52 1.083 -5.795 9.029 417 H ALA 53 H ALA 53 0.412 -4.752 6.689 418 HA ALA 53 HA ALA 53 -1.899 -3.222 5.788 419 HB1 ALA 53 3HB ALA 53 -0.029 -2.099 4.689 420 HB2 ALA 53 1HB ALA 53 -1.054 -2.922 3.515 421 HB3 ALA 53 2HB ALA 53 0.489 -3.633 3.987 422 H LEU 54 H LEU 54 -2.957 -4.231 3.864 423 HA LEU 54 HA LEU 54 -2.676 -7.174 3.851 424 HB2 LEU 54 2HB LEU 54 -5.138 -5.469 3.398 425 HB3 LEU 54 3HB LEU 54 -5.082 -7.204 3.156 426 HG LEU 54 HG LEU 54 -4.639 -5.809 5.804 427 HD11 LEU 54 1HD1 LEU 54 -6.953 -5.611 5.065 428 HD12 LEU 54 2HD1 LEU 54 -6.819 -6.729 6.423 429 HD13 LEU 54 3HD1 LEU 54 -7.027 -7.353 4.786 430 HD21 LEU 54 3HD2 LEU 54 -3.408 -7.900 5.664 431 HD22 LEU 54 1HD2 LEU 54 -4.858 -8.744 5.115 432 HD23 LEU 54 2HD2 LEU 54 -4.789 -8.078 6.748 433 H ILE 55 H ILE 55 -2.058 -8.043 1.961 434 HA ILE 55 HA ILE 55 -1.994 -6.304 -0.411 435 HB ILE 55 HB ILE 55 0.170 -7.180 0.344 436 HG12 ILE 55 2HG1 ILE 55 0.938 -8.151 -1.808 437 HG13 ILE 55 3HG1 ILE 55 -0.737 -8.383 -2.292 438 HG21 ILE 55 1HG2 ILE 55 0.702 -9.569 0.191 439 HG22 ILE 55 2HG2 ILE 55 -0.980 -9.920 -0.205 440 HG23 ILE 55 3HG2 ILE 55 -0.566 -9.259 1.377 441 HD11 ILE 55 3HD1 ILE 55 0.577 -5.731 -1.736 442 HD12 ILE 55 1HD1 ILE 55 -1.089 -5.976 -2.266 443 HD13 ILE 55 2HD1 ILE 55 0.251 -6.417 -3.328 444 H THR 56 H THR 56 -3.025 -6.806 -2.272 445 HA THR 56 HA THR 56 -4.835 -8.996 -2.476 446 HB THR 56 HB THR 56 -4.962 -8.407 -4.909 447 HG1 THR 56 HG1 THR 56 -3.110 -6.349 -4.204 448 HG21 THR 56 3HG2 THR 56 -6.426 -7.295 -3.289 449 HG22 THR 56 1HG2 THR 56 -5.969 -6.193 -4.590 450 HG23 THR 56 2HG2 THR 56 -5.193 -6.062 -3.011 451 H ARG 57 H ARG 57 -4.613 -10.970 -3.494 452 HA ARG 57 HA ARG 57 -2.178 -12.238 -3.123 453 HB2 ARG 57 2HB ARG 57 -4.647 -13.060 -4.633 454 HB3 ARG 57 3HB ARG 57 -3.267 -14.135 -4.451 455 HG2 ARG 57 2HG ARG 57 -3.503 -14.201 -2.093 456 HG3 ARG 57 3HG ARG 57 -4.664 -12.873 -2.102 457 HD2 ARG 57 2HD ARG 57 -5.664 -15.142 -1.759 458 HD3 ARG 57 3HD ARG 57 -6.335 -14.238 -3.113 459 HE ARG 57 HE ARG 57 -5.157 -15.676 -4.609 460 HH11 ARG 57 1HH1 ARG 57 -4.940 -16.663 -1.314 461 HH12 ARG 57 2HH1 ARG 57 -4.623 -18.311 -1.717 462 HH21 ARG 57 1HH2 ARG 57 -4.782 -17.788 -5.110 463 HH22 ARG 57 2HH2 ARG 57 -4.547 -18.949 -3.846 464 H ASP 58 H ASP 58 -3.389 -10.808 -6.135 465 HA ASP 58 HA ASP 58 -1.052 -11.900 -7.550 466 HB2 ASP 58 2HB ASP 58 -3.431 -12.080 -8.482 467 HB3 ASP 58 3HB ASP 58 -3.320 -10.353 -8.815 468 H ARG 59 H ARG 59 -1.252 -9.479 -5.618 469 HA ARG 59 HA ARG 59 -0.236 -7.471 -5.320 470 HB2 ARG 59 2HB ARG 59 1.474 -8.492 -7.596 471 HB3 ARG 59 3HB ARG 59 1.839 -7.037 -6.686 472 HG2 ARG 59 2HG ARG 59 3.201 -8.745 -5.795 473 HG3 ARG 59 3HG ARG 59 1.920 -8.468 -4.614 474 HD2 ARG 59 2HD ARG 59 2.433 -10.874 -4.993 475 HD3 ARG 59 3HD ARG 59 0.755 -10.449 -5.332 476 HE ARG 59 HE ARG 59 2.021 -10.250 -7.746 477 HH11 ARG 59 1HH1 ARG 59 1.737 -12.743 -5.390 478 HH12 ARG 59 2HH1 ARG 59 1.735 -14.004 -6.566 479 HH21 ARG 59 1HH2 ARG 59 2.015 -11.893 -9.254 480 HH22 ARG 59 2HH2 ARG 59 1.869 -13.531 -8.725 481 H LYS 60 H LYS 60 -2.504 -6.866 -6.405 482 HA LYS 60 HA LYS 60 -1.938 -5.042 -8.661 483 HB2 LYS 60 2HB LYS 60 -4.573 -6.204 -7.717 484 HB3 LYS 60 3HB LYS 60 -4.417 -5.014 -9.005 485 HG2 LYS 60 2HG LYS 60 -3.251 -7.801 -9.020 486 HG3 LYS 60 3HG LYS 60 -4.684 -7.267 -9.902 487 HD2 LYS 60 2HD LYS 60 -3.298 -5.669 -11.169 488 HD3 LYS 60 3HD LYS 60 -1.869 -6.228 -10.298 489 HE2 LYS 60 2HE LYS 60 -2.191 -8.479 -11.224 490 HE3 LYS 60 3HE LYS 60 -3.614 -7.914 -12.100 491 HZ1 LYS 60 3HZ LYS 60 -0.840 -6.921 -12.486 492 HZ2 LYS 60 1HZ LYS 60 -2.202 -6.389 -13.332 493 HZ3 LYS 60 2HZ LYS 60 -1.659 -7.979 -13.517 494 H GLN 61 H GLN 61 -3.897 -5.198 -5.676 495 HA GLN 61 HA GLN 61 -3.332 -2.331 -5.267 496 HB2 GLN 61 2HB GLN 61 -5.905 -3.788 -4.619 497 HB3 GLN 61 3HB GLN 61 -5.545 -2.131 -4.155 498 HG2 GLN 61 2HG GLN 61 -5.312 -1.579 -6.579 499 HG3 GLN 61 3HG GLN 61 -5.873 -3.209 -6.950 500 HE21 GLN 61 1HE2 GLN 61 -7.055 -0.618 -7.592 501 HE22 GLN 61 2HE2 GLN 61 -8.646 -0.636 -6.921 502 H VAL 62 H VAL 62 -3.286 -1.610 -3.055 503 HA VAL 62 HA VAL 62 -2.627 -3.739 -1.107 504 HB VAL 62 HB VAL 62 -1.262 -1.040 -1.347 505 HG11 VAL 62 1HG1 VAL 62 0.274 -1.895 0.371 506 HG12 VAL 62 2HG1 VAL 62 -0.690 -3.368 0.497 507 HG13 VAL 62 3HG1 VAL 62 -1.387 -1.815 0.964 508 HG21 VAL 62 3HG2 VAL 62 -0.615 -2.545 -3.170 509 HG22 VAL 62 1HG2 VAL 62 -0.188 -3.791 -1.996 510 HG23 VAL 62 2HG2 VAL 62 0.722 -2.281 -2.053 511 H PHE 63 H PHE 63 -4.035 -3.724 0.521 512 HA PHE 63 HA PHE 63 -5.321 -1.232 1.385 513 HB2 PHE 63 2HB PHE 63 -5.814 -4.104 2.242 514 HB3 PHE 63 3HB PHE 63 -6.749 -2.708 2.766 515 HD1 PHE 63 HD2 PHE 63 -5.767 -4.602 -0.292 516 HD2 PHE 63 HD1 PHE 63 -8.624 -2.034 1.556 517 HE1 PHE 63 HE2 PHE 63 -7.263 -4.877 -2.225 518 HE2 PHE 63 HE1 PHE 63 -10.122 -2.308 -0.377 519 HZ PHE 63 HZ PHE 63 -9.442 -3.730 -2.272 520 H ARG 64 H ARG 64 -5.517 -1.095 3.956 521 HA ARG 64 HA ARG 64 -2.848 -1.753 5.042 522 HB2 ARG 64 2HB ARG 64 -2.551 0.388 5.963 523 HB3 ARG 64 3HB ARG 64 -3.111 0.661 4.321 524 HG2 ARG 64 2HG ARG 64 -5.383 1.089 5.195 525 HG3 ARG 64 3HG ARG 64 -4.763 0.882 6.836 526 HD2 ARG 64 2HD ARG 64 -3.086 2.721 6.257 527 HD3 ARG 64 3HD ARG 64 -4.086 3.030 4.838 528 HE ARG 64 HE ARG 64 -5.475 3.057 7.388 529 HH11 ARG 64 1HH1 ARG 64 -4.082 4.856 4.820 530 HH12 ARG 64 2HH1 ARG 64 -4.648 6.372 5.415 531 HH21 ARG 64 1HH2 ARG 64 -6.237 4.991 8.142 532 HH22 ARG 64 2HH2 ARG 64 -5.872 6.451 7.284 533 H ILE 65 H ILE 65 -2.668 -1.657 7.401 534 HA ILE 65 HA ILE 65 -5.200 -2.271 8.804 535 HB ILE 65 HB ILE 65 -2.472 -3.483 9.346 536 HG12 ILE 65 2HG1 ILE 65 -4.988 -4.716 8.179 537 HG13 ILE 65 3HG1 ILE 65 -3.506 -4.369 7.296 538 HG21 ILE 65 1HG2 ILE 65 -5.149 -4.008 10.652 539 HG22 ILE 65 2HG2 ILE 65 -3.766 -3.197 11.393 540 HG23 ILE 65 3HG2 ILE 65 -3.662 -4.906 10.967 541 HD11 ILE 65 3HD1 ILE 65 -2.310 -5.988 8.679 542 HD12 ILE 65 1HD1 ILE 65 -3.668 -6.718 7.826 543 HD13 ILE 65 2HD1 ILE 65 -3.805 -6.344 9.542 544 H GLU 66 H GLU 66 -5.653 -0.668 10.199 545 HA GLU 66 HA GLU 66 -3.411 0.748 11.504 546 HB2 GLU 66 2HB GLU 66 -4.908 2.730 11.618 547 HB3 GLU 66 3HB GLU 66 -4.539 2.235 9.972 548 HG2 GLU 66 2HG GLU 66 -6.743 1.086 9.877 549 HG3 GLU 66 3HG GLU 66 -7.104 1.727 11.478 550 H ASP 67 H ASP 67 -3.348 0.811 13.662 551 HA ASP 67 HA ASP 67 -3.816 0.384 15.844 552 HB2 ASP 67 2HB ASP 67 -5.533 2.194 15.230 553 HB3 ASP 67 3HB ASP 67 -6.720 0.894 15.164 554 H SER 68 H SER 68 -3.690 -1.851 14.136 555 HA SER 68 HA SER 68 -3.982 -4.103 14.137 556 HB2 SER 68 2HB SER 68 -5.476 -3.610 16.730 557 HB3 SER 68 3HB SER 68 -5.034 -5.202 16.117 558 HG SER 68 HG SER 68 -2.798 -4.275 16.092 559 H ILE 69 H ILE 69 -6.124 -2.104 13.154 560 HA ILE 69 HA ILE 69 -8.365 -4.002 12.852 561 HB ILE 69 HB ILE 69 -8.297 -1.012 12.365 562 HG12 ILE 69 2HG1 ILE 69 -8.212 -1.595 14.757 563 HG13 ILE 69 3HG1 ILE 69 -9.758 -0.863 14.344 564 HG21 ILE 69 1HG2 ILE 69 -9.853 -2.133 10.847 565 HG22 ILE 69 2HG2 ILE 69 -10.722 -1.179 12.047 566 HG23 ILE 69 3HG2 ILE 69 -10.628 -2.932 12.214 567 HD11 ILE 69 3HD1 ILE 69 -9.248 -3.806 14.716 568 HD12 ILE 69 1HD1 ILE 69 -10.800 -3.070 14.306 569 HD13 ILE 69 2HD1 ILE 69 -10.044 -2.729 15.863 570 HA PRO 70 HA PRO 70 -6.787 -4.487 8.619 571 HB2 PRO 70 2HB PRO 70 -9.089 -6.301 8.299 572 HB3 PRO 70 3HB PRO 70 -7.363 -6.646 8.164 573 HG2 PRO 70 2HG PRO 70 -8.846 -7.550 10.228 574 HG3 PRO 70 3HG PRO 70 -7.138 -7.100 10.415 575 HD2 PRO 70 2HD PRO 70 -9.598 -5.538 11.145 576 HD3 PRO 70 3HD PRO 70 -8.079 -5.737 12.047 577 H VAL 71 H VAL 71 -7.253 -2.681 7.441 578 HA VAL 71 HA VAL 71 -9.989 -1.792 7.061 579 HB VAL 71 HB VAL 71 -7.442 -0.671 5.858 580 HG11 VAL 71 1HG1 VAL 71 -9.434 0.001 4.627 581 HG12 VAL 71 2HG1 VAL 71 -8.759 1.369 5.512 582 HG13 VAL 71 3HG1 VAL 71 -10.194 0.544 6.124 583 HG21 VAL 71 3HG2 VAL 71 -7.551 1.010 7.652 584 HG22 VAL 71 1HG2 VAL 71 -7.340 -0.620 8.293 585 HG23 VAL 71 2HG2 VAL 71 -8.923 0.158 8.360 586 H LEU 72 H LEU 72 -11.175 -2.959 5.682 587 HA LEU 72 HA LEU 72 -9.991 -4.083 3.251 588 HB2 LEU 72 2HB LEU 72 -12.789 -4.392 4.350 589 HB3 LEU 72 3HB LEU 72 -12.074 -5.325 3.047 590 HG LEU 72 HG LEU 72 -11.188 -5.374 5.940 591 HD11 LEU 72 1HD1 LEU 72 -13.348 -6.448 5.603 592 HD12 LEU 72 2HD1 LEU 72 -12.096 -7.635 5.969 593 HD13 LEU 72 3HD1 LEU 72 -12.666 -7.437 4.310 594 HD21 LEU 72 3HD2 LEU 72 -9.755 -7.239 5.265 595 HD22 LEU 72 1HD2 LEU 72 -9.314 -5.752 4.427 596 HD23 LEU 72 2HD2 LEU 72 -10.228 -7.002 3.582 597 H LEU 73 H LEU 73 -11.136 -1.158 3.970 598 HA LEU 73 HA LEU 73 -13.174 -0.574 2.137 599 HB2 LEU 73 2HB LEU 73 -10.990 1.249 3.163 600 HB3 LEU 73 3HB LEU 73 -12.476 1.777 2.395 601 HG LEU 73 HG LEU 73 -12.293 0.315 5.034 602 HD11 LEU 73 1HD1 LEU 73 -11.461 2.596 5.195 603 HD12 LEU 73 2HD1 LEU 73 -13.011 2.438 6.017 604 HD13 LEU 73 3HD1 LEU 73 -12.930 3.202 4.432 605 HD21 LEU 73 3HD2 LEU 73 -14.683 1.497 3.616 606 HD22 LEU 73 1HD2 LEU 73 -14.686 0.773 5.227 607 HD23 LEU 73 2HD2 LEU 73 -14.342 -0.222 3.812 608 HA PRO 74 HA PRO 74 -10.922 -1.028 -1.780 609 HB2 PRO 74 2HB PRO 74 -13.250 0.551 -2.758 610 HB3 PRO 74 3HB PRO 74 -12.607 -0.985 -3.346 611 HG2 PRO 74 2HG PRO 74 -14.871 -0.886 -1.932 612 HG3 PRO 74 3HG PRO 74 -13.717 -2.219 -1.730 613 HD2 PRO 74 2HD PRO 74 -14.225 0.141 0.035 614 HD3 PRO 74 3HD PRO 74 -13.835 -1.534 0.474 615 H GLU 75 H GLU 75 -12.414 1.966 -0.675 616 HA GLU 75 HA GLU 75 -11.016 3.805 -2.278 617 HB2 GLU 75 2HB GLU 75 -11.609 5.439 -0.451 618 HB3 GLU 75 3HB GLU 75 -12.960 4.519 -1.104 619 HG2 GLU 75 2HG GLU 75 -12.690 2.943 0.855 620 HG3 GLU 75 3HG GLU 75 -11.565 4.115 1.539 621 H GLU 76 H GLU 76 -9.924 1.957 0.428 622 HA GLU 76 HA GLU 76 -7.652 3.724 0.975 623 HB2 GLU 76 2HB GLU 76 -9.007 2.627 2.807 624 HB3 GLU 76 3HB GLU 76 -8.352 1.084 2.283 625 HG2 GLU 76 2HG GLU 76 -7.114 1.839 4.182 626 HG3 GLU 76 3HG GLU 76 -6.072 1.937 2.763 627 H ALA 77 H ALA 77 -8.217 1.606 -1.379 628 HA ALA 77 HA ALA 77 -5.904 -0.120 -1.124 629 HB1 ALA 77 3HB ALA 77 -6.666 -1.120 -3.211 630 HB2 ALA 77 1HB ALA 77 -7.882 0.146 -3.382 631 HB3 ALA 77 2HB ALA 77 -7.979 -0.999 -2.043 632 H ILE 78 H ILE 78 -3.944 0.678 -1.545 633 HA ILE 78 HA ILE 78 -3.453 2.745 -3.492 634 HB ILE 78 HB ILE 78 -1.572 1.032 -1.855 635 HG12 ILE 78 2HG1 ILE 78 -1.064 3.293 -0.788 636 HG13 ILE 78 3HG1 ILE 78 -2.458 3.924 -1.654 637 HG21 ILE 78 1HG2 ILE 78 0.253 2.492 -2.606 638 HG22 ILE 78 2HG2 ILE 78 -0.854 3.298 -3.718 639 HG23 ILE 78 3HG2 ILE 78 -0.461 1.593 -3.946 640 HD11 ILE 78 3HD1 ILE 78 -2.481 1.740 0.418 641 HD12 ILE 78 1HD1 ILE 78 -3.892 2.328 -0.461 642 HD13 ILE 78 2HD1 ILE 78 -3.025 3.404 0.633 643 H ALA 79 H ALA 79 -2.475 2.543 -5.525 644 HA ALA 79 HA ALA 79 -2.733 -0.056 -6.799 645 HB1 ALA 79 3HB ALA 79 -3.547 1.962 -7.925 646 HB2 ALA 79 1HB ALA 79 -2.315 1.140 -8.880 647 HB3 ALA 79 2HB ALA 79 -1.905 2.598 -7.978 648 H THR 80 H THR 80 -1.120 -1.495 -6.799 649 HA THR 80 HA THR 80 1.522 -1.027 -5.979 650 HB THR 80 HB THR 80 2.070 -3.243 -6.947 651 HG1 THR 80 HG1 THR 80 0.424 -4.373 -8.059 652 HG21 THR 80 3HG2 THR 80 1.034 -3.142 -4.737 653 HG22 THR 80 1HG2 THR 80 0.475 -4.566 -5.619 654 HG23 THR 80 2HG2 THR 80 -0.571 -3.151 -5.472 655 H ILE 81 H ILE 81 0.133 -1.136 -9.213 656 HA ILE 81 HA ILE 81 2.485 -1.160 -10.729 657 HB ILE 81 HB ILE 81 0.203 -1.635 -11.591 658 HG12 ILE 81 2HG1 ILE 81 0.502 -0.537 -13.806 659 HG13 ILE 81 3HG1 ILE 81 1.738 0.500 -13.104 660 HG21 ILE 81 1HG2 ILE 81 -0.147 1.363 -11.504 661 HG22 ILE 81 2HG2 ILE 81 -1.017 0.176 -10.531 662 HG23 ILE 81 3HG2 ILE 81 -1.250 0.225 -12.280 663 HD11 ILE 81 3HD1 ILE 81 1.879 -2.501 -13.311 664 HD12 ILE 81 1HD1 ILE 81 3.132 -1.442 -12.664 665 HD13 ILE 81 2HD1 ILE 81 2.694 -1.350 -14.371 666 H GLN 82 H GLN 82 1.194 1.372 -8.840 667 HA GLN 82 HA GLN 82 2.517 3.509 -10.342 668 HB2 GLN 82 2HB GLN 82 0.234 3.833 -9.401 669 HB3 GLN 82 3HB GLN 82 0.897 3.642 -7.783 670 HG2 GLN 82 2HG GLN 82 0.607 5.967 -8.191 671 HG3 GLN 82 3HG GLN 82 2.335 5.631 -8.204 672 HE21 GLN 82 1HE2 GLN 82 0.182 4.877 -10.883 673 HE22 GLN 82 2HE2 GLN 82 0.845 6.045 -11.968 674 H ILE 83 H ILE 83 3.105 1.449 -7.633 675 HA ILE 83 HA ILE 83 4.747 3.181 -6.078 676 HB ILE 83 HB ILE 83 4.702 0.154 -6.110 677 HG12 ILE 83 2HG1 ILE 83 2.483 1.075 -5.649 678 HG13 ILE 83 3HG1 ILE 83 3.161 0.367 -4.189 679 HG21 ILE 83 1HG2 ILE 83 5.608 0.323 -3.822 680 HG22 ILE 83 2HG2 ILE 83 5.742 2.071 -4.016 681 HG23 ILE 83 3HG2 ILE 83 6.707 0.995 -5.025 682 HD11 ILE 83 3HD1 ILE 83 3.034 3.300 -4.855 683 HD12 ILE 83 1HD1 ILE 83 3.771 2.611 -3.405 684 HD13 ILE 83 2HD1 ILE 83 2.040 2.437 -3.686 685 H ALA 84 H ALA 84 6.544 4.055 -6.920 686 HA ALA 84 HA ALA 84 8.087 2.984 -9.006 687 HB1 ALA 84 3HB ALA 84 9.655 4.789 -8.560 688 HB2 ALA 84 1HB ALA 84 8.894 5.081 -6.996 689 HB3 ALA 84 2HB ALA 84 7.991 5.373 -8.483 690 H ASN 85 H ASN 85 8.320 2.443 -5.577 691 HA ASN 85 HA ASN 85 11.035 1.357 -5.808 692 HB2 ASN 85 2HB ASN 85 9.339 1.742 -3.333 693 HB3 ASN 85 3HB ASN 85 11.051 1.331 -3.372 694 HD21 ASN 85 1HD2 ASN 85 11.613 3.191 -5.591 695 HD22 ASN 85 2HD2 ASN 85 11.538 4.770 -4.899 696 H PHE 86 H PHE 86 8.097 0.106 -6.384 697 HA PHE 86 HA PHE 86 7.984 -2.231 -4.794 698 HB2 PHE 86 2HB PHE 86 6.171 -1.074 -6.292 699 HB3 PHE 86 3HB PHE 86 6.816 -2.106 -7.562 700 HD1 PHE 86 HD1 PHE 86 5.559 -2.253 -4.073 701 HD2 PHE 86 HD2 PHE 86 5.934 -4.251 -7.813 702 HE1 PHE 86 HE1 PHE 86 4.149 -4.089 -3.230 703 HE2 PHE 86 HE2 PHE 86 4.530 -6.092 -6.977 704 HZ PHE 86 HZ PHE 86 3.634 -6.012 -4.685 705 HA PRO 87 HA PRO 87 11.315 -4.349 -7.004 706 HB2 PRO 87 2HB PRO 87 11.624 -6.407 -5.296 707 HB3 PRO 87 3HB PRO 87 12.163 -4.773 -4.894 708 HG2 PRO 87 2HG PRO 87 9.681 -6.213 -4.025 709 HG3 PRO 87 3HG PRO 87 10.770 -5.179 -3.079 710 HD2 PRO 87 2HD PRO 87 8.378 -4.329 -4.151 711 HD3 PRO 87 3HD PRO 87 9.738 -3.256 -3.771 712 H ASP 88 H ASP 88 11.034 -5.589 -8.763 713 HA ASP 88 HA ASP 88 8.657 -7.118 -9.194 714 HB2 ASP 88 2HB ASP 88 11.199 -7.145 -10.846 715 HB3 ASP 88 3HB ASP 88 9.586 -7.615 -11.374 716 H LYS 89 H LYS 89 8.345 -9.334 -9.205 717 HA LYS 89 HA LYS 89 10.196 -10.986 -7.752 718 HB2 LYS 89 2HB LYS 89 7.670 -11.249 -7.712 719 HB3 LYS 89 3HB LYS 89 7.785 -11.918 -9.335 720 HG2 LYS 89 2HG LYS 89 9.410 -13.625 -8.339 721 HG3 LYS 89 3HG LYS 89 8.852 -13.062 -6.764 722 HD2 LYS 89 2HD LYS 89 7.607 -15.029 -7.395 723 HD3 LYS 89 3HD LYS 89 6.525 -13.633 -7.437 724 HE2 LYS 89 2HE LYS 89 6.669 -13.522 -9.833 725 HE3 LYS 89 3HE LYS 89 7.939 -14.742 -9.862 726 HZ1 LYS 89 3HZ LYS 89 5.748 -15.612 -10.480 727 HZ2 LYS 89 1HZ LYS 89 5.162 -15.230 -8.938 728 HZ3 LYS 89 2HZ LYS 89 6.384 -16.385 -9.116 729 H LEU 90 H LEU 90 11.088 -13.041 -8.627 730 HA LEU 90 HA LEU 90 12.473 -12.498 -11.079 731 HB2 LEU 90 2HB LEU 90 12.559 -14.794 -9.135 732 HB3 LEU 90 3HB LEU 90 13.470 -14.823 -10.633 733 HG LEU 90 HG LEU 90 14.923 -14.134 -8.840 734 HD11 LEU 90 1HD1 LEU 90 15.741 -12.020 -9.711 735 HD12 LEU 90 2HD1 LEU 90 14.217 -11.754 -10.557 736 HD13 LEU 90 3HD1 LEU 90 15.266 -13.093 -11.026 737 HD21 LEU 90 3HD2 LEU 90 14.519 -12.074 -7.550 738 HD22 LEU 90 1HD2 LEU 90 13.287 -13.297 -7.258 739 HD23 LEU 90 2HD2 LEU 90 12.933 -11.923 -8.303 740 H GLU 91 H GLU 91 10.649 -12.434 -12.534 741 HA GLU 91 HA GLU 91 10.748 -14.735 -14.171 742 HB2 GLU 91 2HB GLU 91 8.509 -15.517 -14.197 743 HB3 GLU 91 3HB GLU 91 8.970 -15.458 -12.501 744 HG2 GLU 91 2HG GLU 91 7.627 -13.584 -12.082 745 HG3 GLU 91 3HG GLU 91 7.481 -13.190 -13.792 746 H HIS 92 H HIS 92 9.778 -14.374 -16.264 747 HA HIS 92 HA HIS 92 9.247 -11.547 -16.821 748 HB2 HIS 92 2HB HIS 92 9.861 -13.848 -18.695 749 HB3 HIS 92 3HB HIS 92 9.540 -12.197 -19.219 750 HD1 HIS 92 HD1 HIS 92 11.329 -10.378 -18.494 751 HD2 HIS 92 HD2 HIS 92 12.444 -14.321 -17.817 752 HE1 HIS 92 HE1 HIS 92 13.800 -10.312 -18.077 753 HE2 HIS 92 HE2 HIS 92 14.417 -12.681 -17.511 754 H HIS 93 H HIS 93 7.165 -11.285 -16.155 755 HA HIS 93 HA HIS 93 5.053 -12.832 -17.553 756 HB2 HIS 93 2HB HIS 93 5.444 -13.042 -14.947 757 HB3 HIS 93 3HB HIS 93 4.616 -11.493 -14.887 758 HD1 HIS 93 HD1 HIS 93 4.012 -15.049 -14.854 759 HD2 HIS 93 HD2 HIS 93 1.886 -11.688 -16.074 760 HE1 HIS 93 HE1 HIS 93 1.619 -15.779 -14.997 761 HE2 HIS 93 HE2 HIS 93 0.337 -13.693 -15.548 762 H HIS 94 H HIS 94 6.510 -10.196 -18.074 763 HA HIS 94 HA HIS 94 5.072 -7.950 -17.394 764 HB2 HIS 94 2HB HIS 94 7.283 -7.787 -18.333 765 HB3 HIS 94 3HB HIS 94 6.737 -8.466 -19.863 766 HD1 HIS 94 HD1 HIS 94 6.225 -5.370 -17.731 767 HD2 HIS 94 HD2 HIS 94 5.902 -6.606 -21.684 768 HE1 HIS 94 HE1 HIS 94 5.695 -3.296 -19.041 769 HE2 HIS 94 HE2 HIS 94 5.327 -4.098 -21.397 770 H HIS 95 H HIS 95 2.932 -7.775 -17.636 771 HA HIS 95 HA HIS 95 1.976 -7.359 -20.361 772 HB2 HIS 95 2HB HIS 95 0.730 -9.288 -18.411 773 HB3 HIS 95 3HB HIS 95 -0.270 -8.465 -19.604 774 HD1 HIS 95 HD1 HIS 95 -0.025 -9.182 -22.059 775 HD2 HIS 95 HD2 HIS 95 2.496 -11.231 -19.465 776 HE1 HIS 95 HE1 HIS 95 0.915 -11.082 -23.396 777 HE2 HIS 95 HE2 HIS 95 2.621 -12.134 -21.887 778 H HIS 96 H HIS 96 0.396 -5.760 -20.534 779 HA HIS 96 HA HIS 96 -0.607 -4.447 -18.149 780 HB2 HIS 96 2HB HIS 96 1.699 -3.574 -18.328 781 HB3 HIS 96 3HB HIS 96 1.369 -3.045 -19.973 782 HD1 HIS 96 HD1 HIS 96 -0.151 -0.955 -20.262 783 HD2 HIS 96 HD2 HIS 96 0.757 -1.879 -16.315 784 HE1 HIS 96 HE1 HIS 96 -0.773 1.083 -18.935 785 HE2 HIS 96 HE2 HIS 96 -0.016 0.573 -16.593 786 H HIS 97 H HIS 97 -2.511 -3.463 -18.553 787 HA HIS 97 HA HIS 97 -3.431 -3.241 -21.327 788 HB2 HIS 97 2HB HIS 97 -4.886 -3.028 -18.680 789 HB3 HIS 97 3HB HIS 97 -5.657 -2.723 -20.232 790 HD1 HIS 97 HD1 HIS 97 -6.549 -4.718 -21.464 791 HD2 HIS 97 HD2 HIS 97 -3.989 -5.782 -18.367 792 HE1 HIS 97 HE1 HIS 97 -6.704 -7.217 -21.292 793 HE2 HIS 97 HE2 HIS 97 -5.203 -7.833 -19.372 Start of MODEL 4 1 H1 MET 1 1H MET 1 -2.141 -11.730 -22.813 2 H2 MET 1 2H MET 1 -1.195 -11.492 -24.194 3 H3 MET 1 3H MET 1 -0.743 -10.780 -22.730 4 HA MET 1 HA MET 1 -0.827 -13.693 -23.292 5 HB2 MET 1 2HB MET 1 1.511 -11.799 -22.926 6 HB3 MET 1 3HB MET 1 1.658 -13.549 -22.998 7 HG2 MET 1 2HG MET 1 0.809 -13.532 -25.285 8 HG3 MET 1 3HG MET 1 0.634 -11.776 -25.208 9 HE1 MET 1 3HE MET 1 2.087 -11.581 -27.438 10 HE2 MET 1 1HE MET 1 2.326 -13.329 -27.494 11 HE3 MET 1 2HE MET 1 3.710 -12.244 -27.610 12 H ASP 2 H ASP 2 0.856 -11.488 -21.048 13 HA ASP 2 HA ASP 2 0.439 -13.414 -18.882 14 HB2 ASP 2 2HB ASP 2 2.191 -10.950 -19.049 15 HB3 ASP 2 3HB ASP 2 2.161 -12.079 -17.701 16 H ARG 3 H ARG 3 -1.402 -13.131 -17.747 17 HA ARG 3 HA ARG 3 -2.769 -10.665 -17.495 18 HB2 ARG 3 2HB ARG 3 -3.029 -13.253 -15.963 19 HB3 ARG 3 3HB ARG 3 -4.082 -11.867 -15.697 20 HG2 ARG 3 2HG ARG 3 -4.810 -11.949 -18.022 21 HG3 ARG 3 3HG ARG 3 -3.731 -13.312 -18.321 22 HD2 ARG 3 2HD ARG 3 -4.988 -14.687 -16.759 23 HD3 ARG 3 3HD ARG 3 -6.021 -13.316 -16.353 24 HE ARG 3 HE ARG 3 -7.075 -13.508 -18.430 25 HH11 ARG 3 1HH1 ARG 3 -4.597 -15.874 -18.056 26 HH12 ARG 3 2HH1 ARG 3 -5.163 -16.827 -19.383 27 HH21 ARG 3 1HH2 ARG 3 -7.772 -14.723 -20.140 28 HH22 ARG 3 2HH2 ARG 3 -6.931 -16.178 -20.559 29 H LYS 4 H LYS 4 -0.142 -12.015 -15.676 30 HA LYS 4 HA LYS 4 -0.266 -10.387 -13.381 31 HB2 LYS 4 2HB LYS 4 2.057 -11.593 -14.889 32 HB3 LYS 4 3HB LYS 4 2.294 -10.636 -13.435 33 HG2 LYS 4 2HG LYS 4 0.565 -13.105 -13.552 34 HG3 LYS 4 3HG LYS 4 2.266 -13.112 -13.079 35 HD2 LYS 4 2HD LYS 4 1.760 -11.587 -11.220 36 HD3 LYS 4 3HD LYS 4 0.063 -11.554 -11.702 37 HE2 LYS 4 2HE LYS 4 1.546 -14.059 -10.891 38 HE3 LYS 4 3HE LYS 4 0.570 -13.086 -9.789 39 HZ1 LYS 4 3HZ LYS 4 -1.373 -13.597 -10.962 40 HZ2 LYS 4 1HZ LYS 4 -0.553 -15.065 -10.832 41 HZ3 LYS 4 2HZ LYS 4 -0.536 -14.215 -12.291 42 H LEU 5 H LEU 5 0.782 -9.719 -16.664 43 HA LEU 5 HA LEU 5 1.633 -7.009 -16.012 44 HB2 LEU 5 2HB LEU 5 1.543 -8.621 -18.552 45 HB3 LEU 5 3HB LEU 5 1.818 -6.895 -18.598 46 HG LEU 5 HG LEU 5 3.927 -8.096 -18.738 47 HD11 LEU 5 1HD1 LEU 5 3.598 -6.693 -16.090 48 HD12 LEU 5 2HD1 LEU 5 3.933 -5.929 -17.643 49 HD13 LEU 5 3HD1 LEU 5 5.128 -7.001 -16.914 50 HD21 LEU 5 3HD2 LEU 5 4.765 -9.454 -16.897 51 HD22 LEU 5 1HD2 LEU 5 3.279 -10.137 -17.556 52 HD23 LEU 5 2HD2 LEU 5 3.240 -9.249 -16.034 53 H LEU 6 H LEU 6 -1.290 -8.506 -16.496 54 HA LEU 6 HA LEU 6 -2.579 -6.107 -17.623 55 HB2 LEU 6 2HB LEU 6 -3.683 -8.896 -17.204 56 HB3 LEU 6 3HB LEU 6 -4.563 -7.556 -17.915 57 HG LEU 6 HG LEU 6 -2.119 -8.901 -19.087 58 HD11 LEU 6 1HD1 LEU 6 -3.663 -9.634 -20.851 59 HD12 LEU 6 2HD1 LEU 6 -5.009 -8.925 -19.957 60 HD13 LEU 6 3HD1 LEU 6 -4.108 -10.279 -19.269 61 HD21 LEU 6 3HD2 LEU 6 -2.123 -6.521 -19.613 62 HD22 LEU 6 1HD2 LEU 6 -3.789 -6.633 -20.182 63 HD23 LEU 6 2HD2 LEU 6 -2.502 -7.474 -21.045 64 H HIS 7 H HIS 7 -1.561 -6.491 -14.820 65 HA HIS 7 HA HIS 7 -3.621 -6.875 -12.982 66 HB2 HIS 7 2HB HIS 7 -1.031 -5.356 -12.875 67 HB3 HIS 7 3HB HIS 7 -2.146 -5.299 -11.513 68 HD1 HIS 7 HD1 HIS 7 0.460 -6.499 -10.856 69 HD2 HIS 7 HD2 HIS 7 -2.633 -8.758 -12.454 70 HE1 HIS 7 HE1 HIS 7 0.912 -8.859 -10.142 71 HE2 HIS 7 HE2 HIS 7 -1.139 -10.119 -10.859 72 H LEU 8 H LEU 8 -3.066 -4.150 -15.037 73 HA LEU 8 HA LEU 8 -4.410 -2.175 -13.488 74 HB2 LEU 8 2HB LEU 8 -3.971 -2.281 -16.478 75 HB3 LEU 8 3HB LEU 8 -4.416 -0.857 -15.557 76 HG LEU 8 HG LEU 8 -1.795 -2.355 -15.333 77 HD11 LEU 8 1HD1 LEU 8 -0.820 -0.361 -16.350 78 HD12 LEU 8 2HD1 LEU 8 -2.426 0.355 -16.513 79 HD13 LEU 8 3HD1 LEU 8 -2.011 -1.100 -17.422 80 HD21 LEU 8 3HD2 LEU 8 -1.100 -0.497 -13.888 81 HD22 LEU 8 1HD2 LEU 8 -2.453 -1.391 -13.195 82 HD23 LEU 8 2HD2 LEU 8 -2.731 0.170 -13.965 83 H LEU 9 H LEU 9 -5.542 -4.749 -15.493 84 HA LEU 9 HA LEU 9 -8.144 -3.560 -16.002 85 HB2 LEU 9 2HB LEU 9 -7.140 -4.942 -17.721 86 HB3 LEU 9 3HB LEU 9 -7.017 -6.294 -16.609 87 HG LEU 9 HG LEU 9 -9.619 -6.077 -16.457 88 HD11 LEU 9 1HD1 LEU 9 -10.663 -5.283 -18.519 89 HD12 LEU 9 2HD1 LEU 9 -9.096 -4.712 -19.090 90 HD13 LEU 9 3HD1 LEU 9 -9.832 -3.990 -17.659 91 HD21 LEU 9 3HD2 LEU 9 -9.878 -7.601 -18.361 92 HD22 LEU 9 1HD2 LEU 9 -8.499 -8.018 -17.344 93 HD23 LEU 9 2HD2 LEU 9 -8.240 -7.204 -18.890 94 H CYS 10 H CYS 10 -6.797 -6.117 -13.933 95 HA CYS 10 HA CYS 10 -9.385 -7.265 -13.424 96 HB2 CYS 10 2HB CYS 10 -7.499 -8.754 -13.527 97 HB3 CYS 10 3HB CYS 10 -6.663 -7.865 -12.256 98 HG CYS 10 HG CYS 10 -9.600 -9.561 -11.755 99 H SER 11 H SER 11 -10.700 -7.032 -11.782 100 HA SER 11 HA SER 11 -10.158 -4.951 -9.786 101 HB2 SER 11 2HB SER 11 -12.592 -5.030 -9.394 102 HB3 SER 11 3HB SER 11 -12.242 -4.841 -11.114 103 HG SER 11 HG SER 11 -13.660 -6.452 -11.146 104 HA PRO 12 HA PRO 12 -10.554 -8.126 -6.491 105 HB2 PRO 12 2HB PRO 12 -11.091 -6.635 -4.358 106 HB3 PRO 12 3HB PRO 12 -9.570 -6.413 -5.231 107 HG2 PRO 12 2HG PRO 12 -12.022 -4.717 -5.240 108 HG3 PRO 12 3HG PRO 12 -10.323 -4.233 -5.383 109 HD2 PRO 12 2HD PRO 12 -12.192 -4.618 -7.504 110 HD3 PRO 12 3HD PRO 12 -10.449 -4.304 -7.655 111 H ASP 13 H ASP 13 -13.003 -7.587 -8.159 112 HA ASP 13 HA ASP 13 -15.283 -6.970 -6.707 113 HB2 ASP 13 2HB ASP 13 -16.544 -7.930 -8.555 114 HB3 ASP 13 3HB ASP 13 -15.161 -7.031 -9.167 115 H THR 14 H THR 14 -14.114 -10.273 -7.492 116 HA THR 14 HA THR 14 -16.046 -11.421 -5.611 117 HB THR 14 HB THR 14 -15.711 -12.527 -7.796 118 HG1 THR 14 HG1 THR 14 -16.188 -13.708 -5.719 119 HG21 THR 14 3HG2 THR 14 -12.938 -13.155 -6.776 120 HG22 THR 14 1HG2 THR 14 -13.318 -12.037 -8.084 121 HG23 THR 14 2HG2 THR 14 -13.657 -13.756 -8.268 122 H ARG 15 H ARG 15 -13.433 -9.875 -5.012 123 HA ARG 15 HA ARG 15 -11.726 -9.842 -3.549 124 HB2 ARG 15 2HB ARG 15 -13.498 -10.296 -1.912 125 HB3 ARG 15 3HB ARG 15 -13.291 -12.026 -2.154 126 HG2 ARG 15 2HG ARG 15 -11.062 -11.942 -1.225 127 HG3 ARG 15 3HG ARG 15 -11.143 -10.183 -1.103 128 HD2 ARG 15 2HD ARG 15 -11.529 -11.213 1.067 129 HD3 ARG 15 3HD ARG 15 -12.979 -10.384 0.509 130 HE ARG 15 HE ARG 15 -12.824 -13.240 -0.026 131 HH11 ARG 15 1HH1 ARG 15 -14.079 -10.696 1.934 132 HH12 ARG 15 2HH1 ARG 15 -15.262 -11.711 2.686 133 HH21 ARG 15 1HH2 ARG 15 -14.348 -14.528 0.939 134 HH22 ARG 15 2HH2 ARG 15 -15.417 -13.847 2.123 135 H GLN 16 H GLN 16 -10.255 -10.597 -5.155 136 HA GLN 16 HA GLN 16 -9.340 -13.247 -5.349 137 HB2 GLN 16 2HB GLN 16 -7.817 -10.634 -5.597 138 HB3 GLN 16 3HB GLN 16 -7.173 -12.202 -6.063 139 HG2 GLN 16 2HG GLN 16 -9.600 -10.880 -7.276 140 HG3 GLN 16 3HG GLN 16 -7.986 -10.920 -7.988 141 HE21 GLN 16 1HE2 GLN 16 -7.209 -12.859 -8.840 142 HE22 GLN 16 2HE2 GLN 16 -8.250 -14.195 -9.180 143 HA PRO 17 HA PRO 17 -7.964 -14.570 -1.421 144 HB2 PRO 17 2HB PRO 17 -5.314 -14.891 -2.803 145 HB3 PRO 17 3HB PRO 17 -6.117 -15.980 -1.662 146 HG2 PRO 17 2HG PRO 17 -6.244 -16.412 -4.300 147 HG3 PRO 17 3HG PRO 17 -7.634 -16.739 -3.247 148 HD2 PRO 17 2HD PRO 17 -7.267 -14.602 -5.255 149 HD3 PRO 17 3HD PRO 17 -8.766 -15.242 -4.551 150 H LEU 18 H LEU 18 -7.830 -13.038 0.092 151 HA LEU 18 HA LEU 18 -5.800 -10.915 -0.131 152 HB2 LEU 18 2HB LEU 18 -8.254 -10.364 0.016 153 HB3 LEU 18 3HB LEU 18 -8.259 -11.025 1.634 154 HG LEU 18 HG LEU 18 -8.151 -8.475 1.369 155 HD11 LEU 18 1HD1 LEU 18 -6.772 -8.173 3.322 156 HD12 LEU 18 2HD1 LEU 18 -6.033 -9.760 3.088 157 HD13 LEU 18 3HD1 LEU 18 -7.745 -9.636 3.498 158 HD21 LEU 18 3HD2 LEU 18 -5.943 -7.497 1.048 159 HD22 LEU 18 1HD2 LEU 18 -6.441 -8.406 -0.376 160 HD23 LEU 18 2HD2 LEU 18 -5.262 -9.095 0.741 161 H SER 19 H SER 19 -4.159 -10.743 1.307 162 HA SER 19 HA SER 19 -4.287 -12.227 3.848 163 HB2 SER 19 2HB SER 19 -2.010 -12.439 1.856 164 HB3 SER 19 3HB SER 19 -1.976 -13.085 3.496 165 HG SER 19 HG SER 19 -3.978 -14.247 2.776 166 H LEU 20 H LEU 20 -2.201 -11.733 5.179 167 HA LEU 20 HA LEU 20 -2.005 -8.888 5.494 168 HB2 LEU 20 2HB LEU 20 -1.804 -10.877 7.239 169 HB3 LEU 20 3HB LEU 20 -0.106 -10.796 6.816 170 HG LEU 20 HG LEU 20 -0.565 -9.543 8.859 171 HD11 LEU 20 1HD1 LEU 20 1.237 -8.727 7.430 172 HD12 LEU 20 2HD1 LEU 20 0.443 -7.405 8.283 173 HD13 LEU 20 3HD1 LEU 20 0.096 -7.683 6.576 174 HD21 LEU 20 3HD2 LEU 20 -2.901 -8.988 8.424 175 HD22 LEU 20 1HD2 LEU 20 -2.408 -7.851 7.170 176 HD23 LEU 20 2HD2 LEU 20 -1.974 -7.551 8.851 177 H LEU 21 H LEU 21 -0.381 -7.518 4.838 178 HA LEU 21 HA LEU 21 1.253 -8.298 2.662 179 HB2 LEU 21 2HB LEU 21 0.390 -6.035 2.889 180 HB3 LEU 21 3HB LEU 21 1.318 -5.799 4.358 181 HG LEU 21 HG LEU 21 3.407 -5.875 3.099 182 HD11 LEU 21 1HD1 LEU 21 3.442 -6.009 0.667 183 HD12 LEU 21 2HD1 LEU 21 1.695 -6.246 0.638 184 HD13 LEU 21 3HD1 LEU 21 2.737 -7.470 1.362 185 HD21 LEU 21 3HD2 LEU 21 1.377 -4.003 1.870 186 HD22 LEU 21 1HD2 LEU 21 3.130 -3.819 1.781 187 HD23 LEU 21 2HD2 LEU 21 2.311 -3.717 3.338 188 H GLU 22 H GLU 22 3.130 -9.299 2.644 189 HA GLU 22 HA GLU 22 4.653 -9.901 4.952 190 HB2 GLU 22 2HB GLU 22 6.337 -10.768 3.297 191 HB3 GLU 22 3HB GLU 22 4.715 -11.422 3.108 192 HG2 GLU 22 2HG GLU 22 4.297 -9.933 1.234 193 HG3 GLU 22 3HG GLU 22 5.879 -9.186 1.450 194 H SER 23 H SER 23 6.916 -9.336 5.345 195 HA SER 23 HA SER 23 7.319 -6.607 5.663 196 HB2 SER 23 2HB SER 23 9.610 -7.125 6.298 197 HB3 SER 23 3HB SER 23 8.538 -8.375 6.926 198 HG SER 23 HG SER 23 10.641 -8.639 5.304 199 H LYS 24 H LYS 24 8.524 -8.707 3.081 200 HA LYS 24 HA LYS 24 10.239 -7.006 1.736 201 HB2 LYS 24 2HB LYS 24 10.077 -9.297 1.074 202 HB3 LYS 24 3HB LYS 24 8.366 -9.150 0.717 203 HG2 LYS 24 2HG LYS 24 9.619 -9.285 -1.334 204 HG3 LYS 24 3HG LYS 24 8.902 -7.682 -1.186 205 HD2 LYS 24 2HD LYS 24 11.172 -7.489 -2.010 206 HD3 LYS 24 3HD LYS 24 11.076 -6.816 -0.384 207 HE2 LYS 24 2HE LYS 24 12.072 -8.815 0.546 208 HE3 LYS 24 3HE LYS 24 12.053 -9.598 -1.033 209 HZ1 LYS 24 3HZ LYS 24 13.607 -7.169 -0.327 210 HZ2 LYS 24 1HZ LYS 24 13.588 -7.918 -1.843 211 HZ3 LYS 24 2HZ LYS 24 14.236 -8.724 -0.507 212 H GLY 25 H GLY 25 6.711 -7.304 1.274 213 HA2 GLY 25 2HA GLY 25 6.573 -5.123 -0.596 214 HA3 GLY 25 3HA GLY 25 5.213 -5.908 0.196 215 H LEU 26 H LEU 26 5.869 -5.475 2.862 216 HA LEU 26 HA LEU 26 4.634 -3.041 3.343 217 HB2 LEU 26 2HB LEU 26 4.782 -4.920 4.946 218 HB3 LEU 26 3HB LEU 26 6.474 -4.541 5.212 219 HG LEU 26 HG LEU 26 5.820 -2.330 6.131 220 HD11 LEU 26 1HD1 LEU 26 3.002 -3.363 5.786 221 HD12 LEU 26 2HD1 LEU 26 3.724 -1.978 4.972 222 HD13 LEU 26 3HD1 LEU 26 3.454 -1.932 6.713 223 HD21 LEU 26 3HD2 LEU 26 6.176 -4.243 7.624 224 HD22 LEU 26 1HD2 LEU 26 4.472 -4.672 7.482 225 HD23 LEU 26 2HD2 LEU 26 4.940 -3.154 8.249 226 H GLU 27 H GLU 27 8.132 -3.772 3.551 227 HA GLU 27 HA GLU 27 8.953 -1.173 4.265 228 HB2 GLU 27 2HB GLU 27 11.191 -1.848 3.431 229 HB3 GLU 27 3HB GLU 27 10.473 -3.041 4.504 230 HG2 GLU 27 2HG GLU 27 9.872 -4.433 2.619 231 HG3 GLU 27 3HG GLU 27 10.464 -3.211 1.496 232 H ALA 28 H ALA 28 8.241 -2.613 1.124 233 HA ALA 28 HA ALA 28 9.368 -0.551 -0.477 234 HB1 ALA 28 3HB ALA 28 7.147 -2.475 -1.176 235 HB2 ALA 28 1HB ALA 28 8.873 -2.788 -1.355 236 HB3 ALA 28 2HB ALA 28 8.102 -1.525 -2.315 237 H LEU 29 H LEU 29 6.073 -1.115 0.744 238 HA LEU 29 HA LEU 29 4.840 1.134 -0.388 239 HB2 LEU 29 2HB LEU 29 4.291 -0.516 2.056 240 HB3 LEU 29 3HB LEU 29 3.385 0.960 1.802 241 HG LEU 29 HG LEU 29 2.162 -1.026 1.027 242 HD11 LEU 29 1HD1 LEU 29 1.551 -0.196 -1.191 243 HD12 LEU 29 2HD1 LEU 29 2.996 0.815 -1.214 244 HD13 LEU 29 3HD1 LEU 29 1.724 1.124 -0.031 245 HD21 LEU 29 3HD2 LEU 29 2.902 -2.243 -0.969 246 HD22 LEU 29 1HD2 LEU 29 4.033 -2.435 0.368 247 HD23 LEU 29 2HD2 LEU 29 4.417 -1.339 -0.959 248 H ASN 30 H ASN 30 6.312 0.802 2.861 249 HA ASN 30 HA ASN 30 6.016 3.470 3.656 250 HB2 ASN 30 2HB ASN 30 7.951 1.311 4.475 251 HB3 ASN 30 3HB ASN 30 8.040 2.927 5.172 252 HD21 ASN 30 1HD2 ASN 30 6.072 0.051 4.877 253 HD22 ASN 30 2HD2 ASN 30 5.037 0.403 6.215 254 H LYS 31 H LYS 31 8.682 1.953 1.844 255 HA LYS 31 HA LYS 31 10.370 4.173 1.589 256 HB2 LYS 31 2HB LYS 31 9.765 1.895 -0.300 257 HB3 LYS 31 3HB LYS 31 10.977 3.115 -0.666 258 HG2 LYS 31 2HG LYS 31 12.312 2.452 1.204 259 HG3 LYS 31 3HG LYS 31 11.037 1.386 1.804 260 HD2 LYS 31 2HD LYS 31 11.283 -0.059 -0.131 261 HD3 LYS 31 3HD LYS 31 12.457 1.047 -0.846 262 HE2 LYS 31 2HE LYS 31 12.859 -0.365 1.792 263 HE3 LYS 31 3HE LYS 31 13.450 -0.975 0.248 264 HZ1 LYS 31 3HZ LYS 31 15.138 0.265 1.495 265 HZ2 LYS 31 1HZ LYS 31 14.182 1.655 1.410 266 HZ3 LYS 31 2HZ LYS 31 14.809 0.974 -0.003 267 H ALA 32 H ALA 32 7.676 3.150 -0.488 268 HA ALA 32 HA ALA 32 7.842 5.318 -2.302 269 HB1 ALA 32 3HB ALA 32 5.675 4.531 -3.114 270 HB2 ALA 32 1HB ALA 32 5.506 3.507 -1.689 271 HB3 ALA 32 2HB ALA 32 6.786 3.188 -2.857 272 H ILE 33 H ILE 33 6.102 4.901 0.735 273 HA ILE 33 HA ILE 33 4.384 7.148 0.494 274 HB ILE 33 HB ILE 33 5.399 5.701 2.955 275 HG12 ILE 33 2HG1 ILE 33 2.715 5.610 1.544 276 HG13 ILE 33 3HG1 ILE 33 3.966 4.382 1.408 277 HG21 ILE 33 1HG2 ILE 33 3.215 7.788 2.759 278 HG22 ILE 33 2HG2 ILE 33 4.773 7.984 3.563 279 HG23 ILE 33 3HG2 ILE 33 3.597 6.830 4.192 280 HD11 ILE 33 3HD1 ILE 33 2.481 5.131 3.919 281 HD12 ILE 33 1HD1 ILE 33 3.743 3.903 3.795 282 HD13 ILE 33 2HD1 ILE 33 2.217 3.692 2.934 283 H VAL 34 H VAL 34 7.524 6.747 2.181 284 HA VAL 34 HA VAL 34 7.822 9.441 2.969 285 HB VAL 34 HB VAL 34 9.984 7.409 2.329 286 HG11 VAL 34 1HG1 VAL 34 11.434 8.790 3.770 287 HG12 VAL 34 2HG1 VAL 34 10.150 9.994 3.889 288 HG13 VAL 34 3HG1 VAL 34 10.904 9.661 2.330 289 HG21 VAL 34 3HG2 VAL 34 10.030 7.006 4.749 290 HG22 VAL 34 1HG2 VAL 34 8.448 6.638 4.067 291 HG23 VAL 34 2HG2 VAL 34 8.692 8.134 4.967 292 H SER 35 H SER 35 8.553 7.754 -0.018 293 HA SER 35 HA SER 35 9.843 9.940 -1.338 294 HB2 SER 35 2HB SER 35 10.169 7.658 -2.129 295 HB3 SER 35 3HB SER 35 8.449 7.498 -2.474 296 HG SER 35 HG SER 35 10.194 8.235 -4.172 297 H GLY 36 H GLY 36 6.515 9.053 -0.821 298 HA2 GLY 36 2HA GLY 36 4.595 10.293 -1.170 299 HA3 GLY 36 3HA GLY 36 5.589 11.571 -1.845 300 H THR 37 H THR 37 5.641 8.289 -3.105 301 HA THR 37 HA THR 37 4.469 9.307 -5.621 302 HB THR 37 HB THR 37 6.696 8.332 -5.868 303 HG1 THR 37 HG1 THR 37 4.634 6.699 -7.000 304 HG21 THR 37 3HG2 THR 37 6.677 6.763 -3.998 305 HG22 THR 37 1HG2 THR 37 7.086 5.932 -5.501 306 HG23 THR 37 2HG2 THR 37 5.464 5.778 -4.820 307 H VAL 38 H VAL 38 3.388 7.764 -2.957 308 HA VAL 38 HA VAL 38 1.845 5.650 -4.212 309 HB VAL 38 HB VAL 38 1.636 6.696 -1.379 310 HG11 VAL 38 1HG1 VAL 38 -0.329 5.440 -2.077 311 HG12 VAL 38 2HG1 VAL 38 0.606 4.510 -0.908 312 HG13 VAL 38 3HG1 VAL 38 0.690 4.106 -2.622 313 HG21 VAL 38 3HG2 VAL 38 3.044 4.785 -0.748 314 HG22 VAL 38 1HG2 VAL 38 3.896 5.909 -1.810 315 HG23 VAL 38 2HG2 VAL 38 3.267 4.392 -2.454 316 H GLN 39 H GLN 39 0.094 6.176 -5.378 317 HA GLN 39 HA GLN 39 -1.644 8.369 -4.463 318 HB2 GLN 39 2HB GLN 39 -1.557 6.940 -7.133 319 HB3 GLN 39 3HB GLN 39 -2.700 8.209 -6.711 320 HG2 GLN 39 2HG GLN 39 -0.763 9.743 -6.365 321 HG3 GLN 39 3HG GLN 39 0.291 8.471 -6.977 322 HE21 GLN 39 1HE2 GLN 39 -0.235 11.137 -8.043 323 HE22 GLN 39 2HE2 GLN 39 -0.812 10.903 -9.652 324 H ARG 40 H ARG 40 -3.135 7.615 -3.045 325 HA ARG 40 HA ARG 40 -4.299 5.023 -3.139 326 HB2 ARG 40 2HB ARG 40 -6.000 5.977 -1.568 327 HB3 ARG 40 3HB ARG 40 -4.338 6.233 -1.061 328 HG2 ARG 40 2HG ARG 40 -4.435 8.543 -1.839 329 HG3 ARG 40 3HG ARG 40 -6.085 8.293 -2.415 330 HD2 ARG 40 2HD ARG 40 -5.181 8.041 0.463 331 HD3 ARG 40 3HD ARG 40 -6.014 9.439 -0.223 332 HE ARG 40 HE ARG 40 -7.709 7.444 -0.796 333 HH11 ARG 40 1HH1 ARG 40 -6.170 8.312 2.172 334 HH12 ARG 40 2HH1 ARG 40 -7.453 7.654 3.126 335 HH21 ARG 40 1HH2 ARG 40 -9.324 6.668 0.444 336 HH22 ARG 40 2HH2 ARG 40 -9.214 6.742 2.170 337 H ALA 41 H ALA 41 -6.794 4.763 -3.373 338 HA ALA 41 HA ALA 41 -7.460 4.964 -6.032 339 HB1 ALA 41 3HB ALA 41 -9.720 4.366 -5.417 340 HB2 ALA 41 1HB ALA 41 -9.437 4.891 -3.760 341 HB3 ALA 41 2HB ALA 41 -8.576 3.492 -4.399 342 H ASP 42 H ASP 42 -8.122 7.367 -3.533 343 HA ASP 42 HA ASP 42 -9.925 8.966 -5.019 344 HB2 ASP 42 2HB ASP 42 -8.080 9.837 -2.782 345 HB3 ASP 42 3HB ASP 42 -9.557 10.646 -3.305 346 H GLY 43 H GLY 43 -6.723 8.412 -5.694 347 HA2 GLY 43 2HA GLY 43 -5.313 9.406 -7.243 348 HA3 GLY 43 3HA GLY 43 -6.490 10.693 -7.443 349 H SER 44 H SER 44 -5.463 9.980 -4.227 350 HA SER 44 HA SER 44 -3.890 12.483 -4.187 351 HB2 SER 44 2HB SER 44 -5.924 12.616 -2.839 352 HB3 SER 44 3HB SER 44 -5.452 11.169 -1.948 353 HG SER 44 HG SER 44 -4.930 13.105 -0.831 354 H ILE 45 H ILE 45 -2.212 12.573 -2.417 355 HA ILE 45 HA ILE 45 -0.548 10.167 -2.681 356 HB ILE 45 HB ILE 45 0.184 12.990 -1.875 357 HG12 ILE 45 2HG1 ILE 45 -0.433 12.761 -4.249 358 HG13 ILE 45 3HG1 ILE 45 1.284 13.101 -4.068 359 HG21 ILE 45 1HG2 ILE 45 1.674 11.420 -0.783 360 HG22 ILE 45 2HG2 ILE 45 2.529 12.242 -2.087 361 HG23 ILE 45 3HG2 ILE 45 1.964 10.588 -2.313 362 HD11 ILE 45 3HD1 ILE 45 1.818 10.778 -4.481 363 HD12 ILE 45 1HD1 ILE 45 0.824 11.420 -5.791 364 HD13 ILE 45 2HD1 ILE 45 0.101 10.376 -4.565 365 H GLN 46 H GLN 46 0.147 8.967 -0.976 366 HA GLN 46 HA GLN 46 -0.862 9.636 1.685 367 HB2 GLN 46 2HB GLN 46 0.497 7.152 0.627 368 HB3 GLN 46 3HB GLN 46 0.005 7.361 2.302 369 HG2 GLN 46 2HG GLN 46 -2.332 7.636 1.539 370 HG3 GLN 46 3HG GLN 46 -1.799 7.300 -0.109 371 HE21 GLN 46 1HE2 GLN 46 -2.352 5.945 3.052 372 HE22 GLN 46 2HE2 GLN 46 -2.240 4.293 2.568 373 H ASN 47 H ASN 47 0.334 10.685 3.117 374 HA ASN 47 HA ASN 47 3.275 10.455 3.026 375 HB2 ASN 47 2HB ASN 47 1.542 12.566 4.344 376 HB3 ASN 47 3HB ASN 47 3.304 12.537 4.367 377 HD21 ASN 47 1HD2 ASN 47 4.430 13.023 2.475 378 HD22 ASN 47 2HD2 ASN 47 3.673 13.801 1.134 379 H GLN 48 H GLN 48 0.657 9.194 4.573 380 HA GLN 48 HA GLN 48 1.803 9.064 7.255 381 HB2 GLN 48 2HB GLN 48 -0.757 7.860 6.162 382 HB3 GLN 48 3HB GLN 48 -0.291 7.945 7.857 383 HG2 GLN 48 2HG GLN 48 -0.435 10.353 7.830 384 HG3 GLN 48 3HG GLN 48 -0.745 10.351 6.096 385 HE21 GLN 48 1HE2 GLN 48 -2.708 11.418 6.335 386 HE22 GLN 48 2HE2 GLN 48 -4.108 10.643 6.980 387 H SER 49 H SER 49 3.468 7.639 7.409 388 HA SER 49 HA SER 49 3.680 5.268 5.829 389 HB2 SER 49 2HB SER 49 5.268 6.176 8.245 390 HB3 SER 49 3HB SER 49 5.660 4.756 7.279 391 HG SER 49 HG SER 49 6.524 6.007 5.834 392 H LEU 50 H LEU 50 1.973 3.891 6.179 393 HA LEU 50 HA LEU 50 0.978 3.184 8.727 394 HB2 LEU 50 2HB LEU 50 -0.074 1.226 7.445 395 HB3 LEU 50 3HB LEU 50 -0.544 2.855 7.011 396 HG LEU 50 HG LEU 50 1.140 2.690 5.098 397 HD11 LEU 50 1HD1 LEU 50 1.682 0.436 4.303 398 HD12 LEU 50 2HD1 LEU 50 1.000 -0.247 5.779 399 HD13 LEU 50 3HD1 LEU 50 2.431 0.780 5.861 400 HD21 LEU 50 3HD2 LEU 50 -1.250 0.844 5.078 401 HD22 LEU 50 1HD2 LEU 50 -0.437 1.506 3.659 402 HD23 LEU 50 2HD2 LEU 50 -1.278 2.582 4.775 403 H HIS 51 H HIS 51 1.329 1.466 10.069 404 HA HIS 51 HA HIS 51 3.942 0.240 9.912 405 HB2 HIS 51 2HB HIS 51 2.993 1.097 12.048 406 HB3 HIS 51 3HB HIS 51 1.762 -0.157 11.979 407 HD1 HIS 51 HD1 HIS 51 2.450 -2.532 12.658 408 HD2 HIS 51 HD2 HIS 51 5.589 0.191 12.696 409 HE1 HIS 51 HE1 HIS 51 4.344 -3.702 13.814 410 HE2 HIS 51 HE2 HIS 51 6.144 -1.959 14.019 411 H GLU 52 H GLU 52 0.729 -0.701 9.075 412 HA GLU 52 HA GLU 52 1.667 -3.345 8.300 413 HB2 GLU 52 2HB GLU 52 0.870 -3.572 10.663 414 HB3 GLU 52 3HB GLU 52 -0.719 -3.026 10.149 415 HG2 GLU 52 2HG GLU 52 -0.972 -4.981 8.745 416 HG3 GLU 52 3HG GLU 52 0.662 -5.509 9.134 417 H ALA 53 H ALA 53 0.203 -4.428 6.805 418 HA ALA 53 HA ALA 53 -2.068 -2.981 5.755 419 HB1 ALA 53 3HB ALA 53 -0.203 -1.752 4.731 420 HB2 ALA 53 1HB ALA 53 -1.154 -2.615 3.522 421 HB3 ALA 53 2HB ALA 53 0.407 -3.254 4.039 422 H LEU 54 H LEU 54 -2.759 -4.080 3.583 423 HA LEU 54 HA LEU 54 -2.547 -7.015 3.912 424 HB2 LEU 54 2HB LEU 54 -4.853 -5.374 2.851 425 HB3 LEU 54 3HB LEU 54 -4.822 -7.122 2.956 426 HG LEU 54 HG LEU 54 -4.591 -5.340 5.382 427 HD11 LEU 54 1HD1 LEU 54 -6.718 -4.891 4.278 428 HD12 LEU 54 2HD1 LEU 54 -6.961 -5.782 5.776 429 HD13 LEU 54 3HD1 LEU 54 -7.071 -6.618 4.227 430 HD21 LEU 54 3HD2 LEU 54 -3.748 -7.607 5.680 431 HD22 LEU 54 1HD2 LEU 54 -5.258 -8.270 5.054 432 HD23 LEU 54 2HD2 LEU 54 -5.248 -7.381 6.576 433 H ILE 55 H ILE 55 -2.230 -8.274 2.084 434 HA ILE 55 HA ILE 55 -1.842 -6.842 -0.468 435 HB ILE 55 HB ILE 55 0.327 -7.458 0.500 436 HG12 ILE 55 2HG1 ILE 55 1.233 -8.733 -1.434 437 HG13 ILE 55 3HG1 ILE 55 -0.411 -9.118 -1.932 438 HG21 ILE 55 1HG2 ILE 55 0.984 -9.797 0.776 439 HG22 ILE 55 2HG2 ILE 55 -0.648 -10.310 0.348 440 HG23 ILE 55 3HG2 ILE 55 -0.374 -9.386 1.825 441 HD11 ILE 55 3HD1 ILE 55 0.807 -6.367 -1.795 442 HD12 ILE 55 1HD1 ILE 55 -0.848 -6.735 -2.281 443 HD13 ILE 55 2HD1 ILE 55 0.505 -7.309 -3.253 444 H THR 56 H THR 56 -2.963 -7.605 -2.153 445 HA THR 56 HA THR 56 -4.504 -9.996 -2.114 446 HB THR 56 HB THR 56 -4.699 -9.666 -4.589 447 HG1 THR 56 HG1 THR 56 -2.514 -8.096 -4.121 448 HG21 THR 56 3HG2 THR 56 -5.872 -7.494 -4.485 449 HG22 THR 56 1HG2 THR 56 -5.136 -7.183 -2.912 450 HG23 THR 56 2HG2 THR 56 -6.265 -8.525 -3.107 451 H ARG 57 H ARG 57 -4.042 -12.051 -2.899 452 HA ARG 57 HA ARG 57 -1.385 -12.942 -2.790 453 HB2 ARG 57 2HB ARG 57 -3.384 -14.335 -2.342 454 HB3 ARG 57 3HB ARG 57 -3.740 -14.344 -4.063 455 HG2 ARG 57 2HG ARG 57 -1.764 -15.609 -4.540 456 HG3 ARG 57 3HG ARG 57 -1.181 -15.424 -2.884 457 HD2 ARG 57 2HD ARG 57 -3.621 -16.962 -3.781 458 HD3 ARG 57 3HD ARG 57 -2.111 -17.641 -3.170 459 HE ARG 57 HE ARG 57 -3.176 -15.883 -1.252 460 HH11 ARG 57 1HH1 ARG 57 -3.760 -18.985 -2.616 461 HH12 ARG 57 2HH1 ARG 57 -4.618 -19.552 -1.231 462 HH21 ARG 57 1HH2 ARG 57 -4.308 -16.603 0.504 463 HH22 ARG 57 2HH2 ARG 57 -4.911 -18.225 0.524 464 H ASP 58 H ASP 58 -3.389 -12.076 -5.561 465 HA ASP 58 HA ASP 58 -1.493 -12.855 -7.560 466 HB2 ASP 58 2HB ASP 58 -3.996 -12.521 -7.881 467 HB3 ASP 58 3HB ASP 58 -3.691 -10.786 -7.831 468 H ARG 59 H ARG 59 -1.563 -10.388 -5.323 469 HA ARG 59 HA ARG 59 -0.357 -8.561 -4.864 470 HB2 ARG 59 2HB ARG 59 1.636 -9.822 -6.762 471 HB3 ARG 59 3HB ARG 59 1.994 -8.552 -5.593 472 HG2 ARG 59 2HG ARG 59 1.225 -10.091 -3.786 473 HG3 ARG 59 3HG ARG 59 1.073 -11.361 -4.995 474 HD2 ARG 59 2HD ARG 59 3.480 -11.160 -5.480 475 HD3 ARG 59 3HD ARG 59 3.614 -9.912 -4.237 476 HE ARG 59 HE ARG 59 2.646 -12.606 -3.559 477 HH11 ARG 59 1HH1 ARG 59 5.010 -10.123 -3.142 478 HH12 ARG 59 2HH1 ARG 59 5.668 -10.855 -1.721 479 HH21 ARG 59 1HH2 ARG 59 3.484 -13.510 -1.755 480 HH22 ARG 59 2HH2 ARG 59 4.793 -12.737 -0.923 481 H LYS 60 H LYS 60 -2.186 -7.537 -6.141 482 HA LYS 60 HA LYS 60 -0.903 -5.598 -7.944 483 HB2 LYS 60 2HB LYS 60 -2.908 -5.505 -9.357 484 HB3 LYS 60 3HB LYS 60 -2.186 -7.106 -9.362 485 HG2 LYS 60 2HG LYS 60 -3.916 -7.788 -7.663 486 HG3 LYS 60 3HG LYS 60 -4.696 -6.228 -7.943 487 HD2 LYS 60 2HD LYS 60 -4.945 -6.779 -10.323 488 HD3 LYS 60 3HD LYS 60 -4.148 -8.329 -10.053 489 HE2 LYS 60 2HE LYS 60 -6.469 -8.783 -10.109 490 HE3 LYS 60 3HE LYS 60 -6.004 -8.851 -8.412 491 HZ1 LYS 60 3HZ LYS 60 -6.937 -6.699 -8.055 492 HZ2 LYS 60 1HZ LYS 60 -8.102 -7.637 -8.848 493 HZ3 LYS 60 2HZ LYS 60 -7.217 -6.470 -9.704 494 H GLN 61 H GLN 61 -3.149 -6.230 -5.372 495 HA GLN 61 HA GLN 61 -3.546 -3.319 -5.047 496 HB2 GLN 61 2HB GLN 61 -5.530 -5.533 -4.466 497 HB3 GLN 61 3HB GLN 61 -5.748 -3.858 -3.979 498 HG2 GLN 61 2HG GLN 61 -5.381 -4.692 -6.846 499 HG3 GLN 61 3HG GLN 61 -6.958 -4.593 -6.064 500 HE21 GLN 61 1HE2 GLN 61 -4.212 -2.766 -7.205 501 HE22 GLN 61 2HE2 GLN 61 -4.991 -1.228 -7.178 502 H VAL 62 H VAL 62 -3.235 -2.478 -3.047 503 HA VAL 62 HA VAL 62 -2.644 -4.308 -0.796 504 HB VAL 62 HB VAL 62 -1.288 -1.657 -1.392 505 HG11 VAL 62 1HG1 VAL 62 0.137 -2.152 0.530 506 HG12 VAL 62 2HG1 VAL 62 -0.780 -3.625 0.845 507 HG13 VAL 62 3HG1 VAL 62 -1.559 -2.051 1.011 508 HG21 VAL 62 3HG2 VAL 62 -0.198 -4.476 -1.528 509 HG22 VAL 62 1HG2 VAL 62 0.755 -3.002 -1.710 510 HG23 VAL 62 2HG2 VAL 62 -0.490 -3.398 -2.894 511 H PHE 63 H PHE 63 -4.012 -4.008 0.890 512 HA PHE 63 HA PHE 63 -5.566 -1.513 1.012 513 HB2 PHE 63 2HB PHE 63 -6.051 -4.195 2.324 514 HB3 PHE 63 3HB PHE 63 -7.061 -2.775 2.567 515 HD1 PHE 63 HD2 PHE 63 -6.019 -5.356 0.162 516 HD2 PHE 63 HD1 PHE 63 -8.598 -2.034 0.873 517 HE1 PHE 63 HE2 PHE 63 -7.343 -5.961 -1.822 518 HE2 PHE 63 HE1 PHE 63 -9.925 -2.641 -1.108 519 HZ PHE 63 HZ PHE 63 -9.299 -4.603 -2.456 520 H ARG 64 H ARG 64 -5.924 -0.451 3.027 521 HA ARG 64 HA ARG 64 -3.468 -0.195 4.531 522 HB2 ARG 64 2HB ARG 64 -4.727 1.770 3.757 523 HB3 ARG 64 3HB ARG 64 -6.098 1.291 4.742 524 HG2 ARG 64 2HG ARG 64 -4.703 1.592 6.769 525 HG3 ARG 64 3HG ARG 64 -3.385 2.162 5.739 526 HD2 ARG 64 2HD ARG 64 -4.892 3.954 4.899 527 HD3 ARG 64 3HD ARG 64 -6.113 3.421 6.055 528 HE ARG 64 HE ARG 64 -3.900 3.912 7.578 529 HH11 ARG 64 1HH1 ARG 64 -5.788 5.731 5.333 530 HH12 ARG 64 2HH1 ARG 64 -5.431 7.244 6.097 531 HH21 ARG 64 1HH2 ARG 64 -3.460 5.843 8.552 532 HH22 ARG 64 2HH2 ARG 64 -4.125 7.306 7.914 533 H ILE 65 H ILE 65 -3.244 -0.362 6.806 534 HA ILE 65 HA ILE 65 -5.521 -1.452 8.325 535 HB ILE 65 HB ILE 65 -2.664 -2.451 8.485 536 HG12 ILE 65 2HG1 ILE 65 -5.274 -3.793 7.741 537 HG13 ILE 65 3HG1 ILE 65 -3.897 -3.501 6.689 538 HG21 ILE 65 1HG2 ILE 65 -5.000 -3.149 10.276 539 HG22 ILE 65 2HG2 ILE 65 -3.593 -2.186 10.737 540 HG23 ILE 65 3HG2 ILE 65 -3.398 -3.888 10.322 541 HD11 ILE 65 3HD1 ILE 65 -3.873 -5.325 9.084 542 HD12 ILE 65 1HD1 ILE 65 -2.573 -5.092 7.916 543 HD13 ILE 65 2HD1 ILE 65 -4.089 -5.839 7.413 544 H GLU 66 H GLU 66 -5.892 -0.435 10.209 545 HA GLU 66 HA GLU 66 -3.725 1.004 11.553 546 HB2 GLU 66 2HB GLU 66 -5.115 3.018 11.870 547 HB3 GLU 66 3HB GLU 66 -4.768 2.719 10.174 548 HG2 GLU 66 2HG GLU 66 -6.989 1.843 9.825 549 HG3 GLU 66 3HG GLU 66 -7.350 1.986 11.544 550 H ASP 67 H ASP 67 -3.882 1.026 13.769 551 HA ASP 67 HA ASP 67 -4.440 0.247 15.831 552 HB2 ASP 67 2HB ASP 67 -6.396 1.780 15.456 553 HB3 ASP 67 3HB ASP 67 -7.308 0.401 14.849 554 H SER 68 H SER 68 -3.889 -1.563 13.657 555 HA SER 68 HA SER 68 -3.713 -3.781 13.224 556 HB2 SER 68 2HB SER 68 -3.439 -3.988 15.696 557 HB3 SER 68 3HB SER 68 -5.181 -4.230 15.839 558 HG SER 68 HG SER 68 -5.010 -6.156 14.780 559 H ILE 69 H ILE 69 -6.365 -2.148 12.819 560 HA ILE 69 HA ILE 69 -8.207 -4.377 12.333 561 HB ILE 69 HB ILE 69 -8.662 -1.395 12.073 562 HG12 ILE 69 2HG1 ILE 69 -8.297 -2.074 14.400 563 HG13 ILE 69 3HG1 ILE 69 -9.981 -1.634 14.147 564 HG21 ILE 69 1HG2 ILE 69 -10.126 -2.636 10.581 565 HG22 ILE 69 2HG2 ILE 69 -11.052 -1.975 11.929 566 HG23 ILE 69 3HG2 ILE 69 -10.624 -3.687 11.908 567 HD11 ILE 69 3HD1 ILE 69 -9.769 -3.601 15.554 568 HD12 ILE 69 1HD1 ILE 69 -8.899 -4.442 14.271 569 HD13 ILE 69 2HD1 ILE 69 -10.588 -3.991 14.042 570 HA PRO 70 HA PRO 70 -6.901 -4.396 8.000 571 HB2 PRO 70 2HB PRO 70 -9.205 -6.234 7.707 572 HB3 PRO 70 3HB PRO 70 -7.503 -6.501 7.325 573 HG2 PRO 70 2HG PRO 70 -8.647 -7.687 9.430 574 HG3 PRO 70 3HG PRO 70 -6.970 -7.105 9.504 575 HD2 PRO 70 2HD PRO 70 -9.464 -5.830 10.592 576 HD3 PRO 70 3HD PRO 70 -7.864 -5.993 11.348 577 H VAL 71 H VAL 71 -7.463 -2.568 6.904 578 HA VAL 71 HA VAL 71 -10.262 -1.751 6.767 579 HB VAL 71 HB VAL 71 -7.809 -0.352 5.661 580 HG11 VAL 71 1HG1 VAL 71 -10.623 0.659 6.098 581 HG12 VAL 71 2HG1 VAL 71 -9.852 0.350 4.541 582 HG13 VAL 71 3HG1 VAL 71 -9.250 1.640 5.583 583 HG21 VAL 71 3HG2 VAL 71 -7.995 1.119 7.642 584 HG22 VAL 71 1HG2 VAL 71 -7.640 -0.551 8.081 585 HG23 VAL 71 2HG2 VAL 71 -9.273 0.082 8.273 586 H LEU 72 H LEU 72 -11.158 -3.321 5.392 587 HA LEU 72 HA LEU 72 -10.142 -3.759 2.723 588 HB2 LEU 72 2HB LEU 72 -12.788 -4.571 3.948 589 HB3 LEU 72 3HB LEU 72 -12.103 -5.198 2.460 590 HG LEU 72 HG LEU 72 -10.956 -5.596 5.233 591 HD11 LEU 72 1HD1 LEU 72 -11.611 -7.936 4.936 592 HD12 LEU 72 2HD1 LEU 72 -12.366 -7.531 3.391 593 HD13 LEU 72 3HD1 LEU 72 -13.008 -6.862 4.892 594 HD21 LEU 72 3HD2 LEU 72 -9.385 -7.126 4.162 595 HD22 LEU 72 1HD2 LEU 72 -9.211 -5.492 3.519 596 HD23 LEU 72 2HD2 LEU 72 -10.053 -6.724 2.578 597 H LEU 73 H LEU 73 -10.866 -0.983 3.361 598 HA LEU 73 HA LEU 73 -13.309 -0.453 1.869 599 HB2 LEU 73 2HB LEU 73 -11.341 1.408 3.212 600 HB3 LEU 73 3HB LEU 73 -12.827 1.922 2.435 601 HG LEU 73 HG LEU 73 -12.632 0.132 4.868 602 HD11 LEU 73 1HD1 LEU 73 -12.071 2.443 5.372 603 HD12 LEU 73 2HD1 LEU 73 -13.643 2.025 6.052 604 HD13 LEU 73 3HD1 LEU 73 -13.549 2.995 4.582 605 HD21 LEU 73 3HD2 LEU 73 -15.072 1.235 3.465 606 HD22 LEU 73 1HD2 LEU 73 -15.067 0.317 4.970 607 HD23 LEU 73 2HD2 LEU 73 -14.555 -0.453 3.468 608 HA PRO 74 HA PRO 74 -11.376 -0.108 -2.040 609 HB2 PRO 74 2HB PRO 74 -13.043 1.647 -3.307 610 HB3 PRO 74 3HB PRO 74 -13.464 -0.036 -2.971 611 HG2 PRO 74 2HG PRO 74 -14.196 2.442 -1.438 612 HG3 PRO 74 3HG PRO 74 -15.222 1.069 -1.893 613 HD2 PRO 74 2HD PRO 74 -14.197 1.303 0.583 614 HD3 PRO 74 3HD PRO 74 -14.387 -0.280 -0.199 615 H GLU 75 H GLU 75 -12.042 3.000 -0.426 616 HA GLU 75 HA GLU 75 -10.323 4.408 -2.276 617 HB2 GLU 75 2HB GLU 75 -10.787 6.361 -0.591 618 HB3 GLU 75 3HB GLU 75 -12.022 5.824 -1.714 619 HG2 GLU 75 2HG GLU 75 -13.054 6.183 0.390 620 HG3 GLU 75 3HG GLU 75 -13.001 4.446 0.110 621 H GLU 76 H GLU 76 -9.951 3.029 0.921 622 HA GLU 76 HA GLU 76 -7.345 4.237 1.334 623 HB2 GLU 76 2HB GLU 76 -8.744 1.961 2.760 624 HB3 GLU 76 3HB GLU 76 -7.168 2.585 3.221 625 HG2 GLU 76 2HG GLU 76 -9.747 4.145 3.224 626 HG3 GLU 76 3HG GLU 76 -8.961 3.449 4.638 627 H ALA 77 H ALA 77 -8.123 2.293 -1.029 628 HA ALA 77 HA ALA 77 -6.126 0.194 -0.668 629 HB1 ALA 77 3HB ALA 77 -7.019 -0.782 -2.688 630 HB2 ALA 77 1HB ALA 77 -7.969 0.669 -3.011 631 HB3 ALA 77 2HB ALA 77 -8.351 -0.342 -1.619 632 H ILE 78 H ILE 78 -4.314 -0.080 -1.908 633 HA ILE 78 HA ILE 78 -3.451 2.180 -3.609 634 HB ILE 78 HB ILE 78 -1.714 0.341 -1.936 635 HG12 ILE 78 2HG1 ILE 78 -1.131 2.601 -0.795 636 HG13 ILE 78 3HG1 ILE 78 -2.627 3.190 -1.510 637 HG21 ILE 78 1HG2 ILE 78 0.144 1.830 -2.588 638 HG22 ILE 78 2HG2 ILE 78 -0.949 2.693 -3.671 639 HG23 ILE 78 3HG2 ILE 78 -0.572 0.996 -3.969 640 HD11 ILE 78 3HD1 ILE 78 -2.928 2.496 0.802 641 HD12 ILE 78 1HD1 ILE 78 -2.382 0.869 0.394 642 HD13 ILE 78 2HD1 ILE 78 -3.881 1.496 -0.291 643 H ALA 79 H ALA 79 -2.698 1.709 -5.650 644 HA ALA 79 HA ALA 79 -2.699 -1.070 -6.538 645 HB1 ALA 79 3HB ALA 79 -2.431 -0.153 -8.787 646 HB2 ALA 79 1HB ALA 79 -2.226 1.464 -8.112 647 HB3 ALA 79 2HB ALA 79 -3.769 0.628 -7.942 648 H THR 80 H THR 80 -0.898 -2.297 -6.690 649 HA THR 80 HA THR 80 1.604 -1.464 -5.725 650 HB THR 80 HB THR 80 2.507 -3.589 -6.666 651 HG1 THR 80 HG1 THR 80 1.048 -4.967 -7.781 652 HG21 THR 80 3HG2 THR 80 1.108 -5.104 -5.348 653 HG22 THR 80 1HG2 THR 80 -0.173 -3.892 -5.295 654 HG23 THR 80 2HG2 THR 80 1.364 -3.587 -4.485 655 H ILE 81 H ILE 81 0.281 -1.270 -8.926 656 HA ILE 81 HA ILE 81 2.687 -1.017 -10.404 657 HB ILE 81 HB ILE 81 0.501 -1.547 -11.425 658 HG12 ILE 81 2HG1 ILE 81 0.707 -0.075 -13.424 659 HG13 ILE 81 3HG1 ILE 81 1.799 0.968 -12.521 660 HG21 ILE 81 1HG2 ILE 81 -0.176 1.348 -10.884 661 HG22 ILE 81 2HG2 ILE 81 -0.899 -0.055 -10.096 662 HG23 ILE 81 3HG2 ILE 81 -1.153 0.216 -11.821 663 HD11 ILE 81 3HD1 ILE 81 3.391 -0.882 -12.330 664 HD12 ILE 81 1HD1 ILE 81 3.020 -0.503 -14.013 665 HD13 ILE 81 2HD1 ILE 81 2.291 -1.914 -13.246 666 H GLN 82 H GLN 82 1.109 1.150 -8.272 667 HA GLN 82 HA GLN 82 2.240 3.557 -9.459 668 HB2 GLN 82 2HB GLN 82 -0.035 3.567 -8.470 669 HB3 GLN 82 3HB GLN 82 0.659 3.203 -6.898 670 HG2 GLN 82 2HG GLN 82 0.093 5.564 -7.118 671 HG3 GLN 82 3HG GLN 82 1.823 5.331 -6.887 672 HE21 GLN 82 1HE2 GLN 82 2.279 7.353 -7.785 673 HE22 GLN 82 2HE2 GLN 82 2.167 7.640 -9.486 674 H ILE 83 H ILE 83 3.352 1.147 -7.408 675 HA ILE 83 HA ILE 83 4.948 2.874 -5.694 676 HB ILE 83 HB ILE 83 4.997 -0.145 -5.902 677 HG12 ILE 83 2HG1 ILE 83 2.775 0.615 -5.241 678 HG13 ILE 83 3HG1 ILE 83 3.591 -0.099 -3.857 679 HG21 ILE 83 1HG2 ILE 83 6.053 -0.036 -3.677 680 HG22 ILE 83 2HG2 ILE 83 6.081 1.723 -3.787 681 HG23 ILE 83 3HG2 ILE 83 7.030 0.752 -4.916 682 HD11 ILE 83 3HD1 ILE 83 4.099 2.135 -3.008 683 HD12 ILE 83 1HD1 ILE 83 2.366 1.898 -3.229 684 HD13 ILE 83 2HD1 ILE 83 3.282 2.847 -4.398 685 H ALA 84 H ALA 84 6.430 3.914 -6.959 686 HA ALA 84 HA ALA 84 7.932 2.716 -9.048 687 HB1 ALA 84 3HB ALA 84 9.174 4.813 -9.089 688 HB2 ALA 84 1HB ALA 84 8.463 5.275 -7.541 689 HB3 ALA 84 2HB ALA 84 7.441 5.106 -8.969 690 H ASN 85 H ASN 85 8.212 1.759 -6.030 691 HA ASN 85 HA ASN 85 11.160 1.665 -6.016 692 HB2 ASN 85 2HB ASN 85 9.182 1.416 -3.738 693 HB3 ASN 85 3HB ASN 85 10.909 1.098 -3.573 694 HD21 ASN 85 1HD2 ASN 85 8.497 3.549 -4.113 695 HD22 ASN 85 2HD2 ASN 85 9.522 4.897 -3.794 696 H PHE 86 H PHE 86 8.678 -0.161 -7.023 697 HA PHE 86 HA PHE 86 9.457 -2.728 -5.971 698 HB2 PHE 86 2HB PHE 86 7.403 -1.717 -7.858 699 HB3 PHE 86 3HB PHE 86 7.954 -3.360 -8.143 700 HD1 PHE 86 HD1 PHE 86 7.372 -1.498 -4.962 701 HD2 PHE 86 HD2 PHE 86 6.265 -4.780 -7.441 702 HE1 PHE 86 HE1 PHE 86 5.852 -2.311 -3.205 703 HE2 PHE 86 HE2 PHE 86 4.743 -5.594 -5.687 704 HZ PHE 86 HZ PHE 86 4.536 -4.361 -3.568 705 HA PRO 87 HA PRO 87 12.872 -3.665 -8.648 706 HB2 PRO 87 2HB PRO 87 11.837 -6.460 -8.592 707 HB3 PRO 87 3HB PRO 87 13.432 -5.839 -8.155 708 HG2 PRO 87 2HG PRO 87 11.708 -6.588 -6.267 709 HG3 PRO 87 3HG PRO 87 12.729 -5.153 -6.042 710 HD2 PRO 87 2HD PRO 87 9.827 -5.319 -6.798 711 HD3 PRO 87 3HD PRO 87 10.640 -4.193 -5.687 712 H ASP 88 H ASP 88 12.698 -2.959 -10.696 713 HA ASP 88 HA ASP 88 10.638 -3.935 -12.497 714 HB2 ASP 88 2HB ASP 88 11.637 -2.272 -14.078 715 HB3 ASP 88 3HB ASP 88 11.129 -1.570 -12.545 716 H LYS 89 H LYS 89 10.905 -5.497 -14.019 717 HA LYS 89 HA LYS 89 13.448 -6.869 -14.201 718 HB2 LYS 89 2HB LYS 89 12.308 -8.508 -15.556 719 HB3 LYS 89 3HB LYS 89 11.301 -8.116 -14.170 720 HG2 LYS 89 2HG LYS 89 9.788 -6.869 -15.485 721 HG3 LYS 89 3HG LYS 89 10.900 -6.808 -16.852 722 HD2 LYS 89 2HD LYS 89 9.529 -9.294 -15.799 723 HD3 LYS 89 3HD LYS 89 9.064 -8.394 -17.245 724 HE2 LYS 89 2HE LYS 89 11.347 -8.858 -18.172 725 HE3 LYS 89 3HE LYS 89 11.646 -9.901 -16.783 726 HZ1 LYS 89 3HZ LYS 89 9.654 -11.195 -17.485 727 HZ2 LYS 89 1HZ LYS 89 10.941 -11.253 -18.584 728 HZ3 LYS 89 2HZ LYS 89 9.605 -10.270 -18.902 729 H LEU 90 H LEU 90 14.479 -7.411 -16.247 730 HA LEU 90 HA LEU 90 14.438 -5.229 -18.196 731 HB2 LEU 90 2HB LEU 90 16.597 -6.076 -17.325 732 HB3 LEU 90 3HB LEU 90 16.233 -7.658 -17.988 733 HG LEU 90 HG LEU 90 16.225 -6.641 -20.276 734 HD11 LEU 90 1HD1 LEU 90 15.727 -4.341 -19.660 735 HD12 LEU 90 2HD1 LEU 90 17.231 -4.430 -20.575 736 HD13 LEU 90 3HD1 LEU 90 17.275 -4.212 -18.825 737 HD21 LEU 90 3HD2 LEU 90 18.783 -6.299 -18.704 738 HD22 LEU 90 1HD2 LEU 90 18.655 -6.462 -20.454 739 HD23 LEU 90 2HD2 LEU 90 18.198 -7.806 -19.410 740 H GLU 91 H GLU 91 13.222 -5.390 -20.031 741 HA GLU 91 HA GLU 91 12.555 -8.090 -21.030 742 HB2 GLU 91 2HB GLU 91 10.678 -7.194 -19.674 743 HB3 GLU 91 3HB GLU 91 10.578 -5.815 -20.759 744 HG2 GLU 91 2HG GLU 91 8.872 -7.479 -21.265 745 HG3 GLU 91 3HG GLU 91 9.997 -7.289 -22.611 746 H HIS 92 H HIS 92 12.424 -8.346 -23.216 747 HA HIS 92 HA HIS 92 12.369 -6.064 -25.017 748 HB2 HIS 92 2HB HIS 92 14.796 -7.852 -24.799 749 HB3 HIS 92 3HB HIS 92 14.453 -6.894 -26.235 750 HD1 HIS 92 HD1 HIS 92 15.897 -6.684 -22.856 751 HD2 HIS 92 HD2 HIS 92 14.627 -4.053 -25.808 752 HE1 HIS 92 HE1 HIS 92 16.883 -4.460 -22.246 753 HE2 HIS 92 HE2 HIS 92 16.047 -2.871 -24.007 754 H HIS 93 H HIS 93 11.643 -9.333 -24.406 755 HA HIS 93 HA HIS 93 11.187 -9.845 -27.277 756 HB2 HIS 93 2HB HIS 93 13.331 -10.902 -26.360 757 HB3 HIS 93 3HB HIS 93 12.286 -11.958 -25.421 758 HD1 HIS 93 HD1 HIS 93 13.097 -11.106 -29.014 759 HD2 HIS 93 HD2 HIS 93 11.339 -14.148 -26.796 760 HE1 HIS 93 HE1 HIS 93 12.742 -12.992 -30.625 761 HE2 HIS 93 HE2 HIS 93 11.729 -14.839 -29.256 762 H HIS 94 H HIS 94 9.446 -11.219 -27.802 763 HA HIS 94 HA HIS 94 7.266 -11.267 -25.971 764 HB2 HIS 94 2HB HIS 94 7.619 -12.785 -28.574 765 HB3 HIS 94 3HB HIS 94 6.105 -12.629 -27.691 766 HD1 HIS 94 HD1 HIS 94 4.745 -11.232 -29.256 767 HD2 HIS 94 HD2 HIS 94 8.537 -9.645 -28.643 768 HE1 HIS 94 HE1 HIS 94 4.737 -9.007 -30.408 769 HE2 HIS 94 HE2 HIS 94 6.966 -7.990 -29.852 770 H HIS 95 H HIS 95 7.937 -12.352 -24.122 771 HA HIS 95 HA HIS 95 9.090 -14.980 -24.177 772 HB2 HIS 95 2HB HIS 95 8.897 -14.830 -21.698 773 HB3 HIS 95 3HB HIS 95 9.683 -13.424 -22.410 774 HD1 HIS 95 HD1 HIS 95 8.660 -11.172 -21.931 775 HD2 HIS 95 HD2 HIS 95 6.178 -14.320 -20.826 776 HE1 HIS 95 HE1 HIS 95 6.728 -10.122 -20.725 777 HE2 HIS 95 HE2 HIS 95 5.154 -12.021 -20.264 778 H HIS 96 H HIS 96 6.495 -14.905 -25.487 779 HA HIS 96 HA HIS 96 5.211 -17.073 -24.058 780 HB2 HIS 96 2HB HIS 96 4.196 -14.398 -23.842 781 HB3 HIS 96 3HB HIS 96 3.045 -15.350 -24.769 782 HD1 HIS 96 HD1 HIS 96 3.267 -14.287 -21.541 783 HD2 HIS 96 HD2 HIS 96 2.999 -18.118 -23.132 784 HE1 HIS 96 HE1 HIS 96 2.328 -15.714 -19.707 785 HE2 HIS 96 HE2 HIS 96 2.150 -18.017 -20.690 786 H HIS 97 H HIS 97 6.592 -17.091 -26.454 787 HA HIS 97 HA HIS 97 6.512 -17.434 -28.706 788 HB2 HIS 97 2HB HIS 97 4.895 -19.322 -29.306 789 HB3 HIS 97 3HB HIS 97 6.066 -19.637 -28.035 790 HD1 HIS 97 HD1 HIS 97 5.176 -20.153 -25.709 791 HD2 HIS 97 HD2 HIS 97 2.188 -19.152 -28.423 792 HE1 HIS 97 HE1 HIS 97 3.013 -20.721 -24.572 793 HE2 HIS 97 HE2 HIS 97 1.227 -19.923 -26.147 Start of MODEL 5 1 H1 MET 1 1H MET 1 1.339 0.541 13.570 2 H2 MET 1 2H MET 1 0.324 0.304 14.901 3 H3 MET 1 3H MET 1 0.779 -1.010 13.940 4 HA MET 1 HA MET 1 3.032 -0.863 14.628 5 HB2 MET 1 2HB MET 1 3.100 1.606 14.788 6 HB3 MET 1 3HB MET 1 2.128 1.538 16.250 7 HG2 MET 1 2HG MET 1 3.923 0.343 17.396 8 HG3 MET 1 3HG MET 1 4.893 0.383 15.923 9 HE1 MET 1 3HE MET 1 5.950 1.473 18.768 10 HE2 MET 1 1HE MET 1 6.771 2.936 18.228 11 HE3 MET 1 2HE MET 1 6.900 1.452 17.285 12 H ASP 2 H ASP 2 2.226 -2.878 15.378 13 HA ASP 2 HA ASP 2 1.319 -2.861 18.186 14 HB2 ASP 2 2HB ASP 2 0.050 -4.245 15.837 15 HB3 ASP 2 3HB ASP 2 -0.189 -4.836 17.480 16 H ARG 3 H ARG 3 1.387 -4.966 19.231 17 HA ARG 3 HA ARG 3 3.750 -6.528 18.439 18 HB2 ARG 3 2HB ARG 3 3.298 -7.366 20.974 19 HB3 ARG 3 3HB ARG 3 4.322 -5.998 20.573 20 HG2 ARG 3 2HG ARG 3 1.396 -5.615 21.151 21 HG3 ARG 3 3HG ARG 3 2.582 -5.732 22.454 22 HD2 ARG 3 2HD ARG 3 3.759 -3.805 21.661 23 HD3 ARG 3 3HD ARG 3 2.819 -3.773 20.170 24 HE ARG 3 HE ARG 3 0.929 -3.457 22.063 25 HH11 ARG 3 1HH1 ARG 3 3.927 -1.854 21.480 26 HH12 ARG 3 2HH1 ARG 3 3.368 -0.349 22.125 27 HH21 ARG 3 1HH2 ARG 3 0.223 -1.497 22.861 28 HH22 ARG 3 2HH2 ARG 3 1.304 -0.144 22.883 29 H LYS 4 H LYS 4 0.317 -6.753 19.109 30 HA LYS 4 HA LYS 4 0.101 -9.571 19.155 31 HB2 LYS 4 2HB LYS 4 -2.288 -9.167 18.508 32 HB3 LYS 4 3HB LYS 4 -1.747 -8.263 19.915 33 HG2 LYS 4 2HG LYS 4 -1.396 -6.290 18.406 34 HG3 LYS 4 3HG LYS 4 -2.175 -7.218 17.122 35 HD2 LYS 4 2HD LYS 4 -4.222 -7.366 18.401 36 HD3 LYS 4 3HD LYS 4 -3.448 -6.606 19.795 37 HE2 LYS 4 2HE LYS 4 -3.078 -4.572 18.380 38 HE3 LYS 4 3HE LYS 4 -4.052 -5.337 17.122 39 HZ1 LYS 4 3HZ LYS 4 -5.344 -3.810 18.485 40 HZ2 LYS 4 1HZ LYS 4 -4.985 -4.704 19.869 41 HZ3 LYS 4 2HZ LYS 4 -5.916 -5.389 18.640 42 H LEU 5 H LEU 5 0.179 -7.263 16.477 43 HA LEU 5 HA LEU 5 -0.319 -9.153 14.410 44 HB2 LEU 5 2HB LEU 5 0.829 -6.385 14.480 45 HB3 LEU 5 3HB LEU 5 0.956 -7.328 13.012 46 HG LEU 5 HG LEU 5 -0.947 -5.858 12.857 47 HD11 LEU 5 1HD1 LEU 5 -2.717 -7.468 12.380 48 HD12 LEU 5 2HD1 LEU 5 -1.848 -8.707 13.289 49 HD13 LEU 5 3HD1 LEU 5 -1.153 -8.047 11.806 50 HD21 LEU 5 3HD2 LEU 5 -1.393 -5.519 15.227 51 HD22 LEU 5 1HD2 LEU 5 -1.972 -7.179 15.372 52 HD23 LEU 5 2HD2 LEU 5 -2.856 -6.018 14.380 53 H LEU 6 H LEU 6 2.294 -8.952 16.468 54 HA LEU 6 HA LEU 6 4.237 -9.994 14.545 55 HB2 LEU 6 2HB LEU 6 4.485 -9.561 17.532 56 HB3 LEU 6 3HB LEU 6 5.790 -10.023 16.455 57 HG LEU 6 HG LEU 6 4.293 -7.395 16.391 58 HD11 LEU 6 1HD1 LEU 6 5.782 -7.570 18.311 59 HD12 LEU 6 2HD1 LEU 6 6.414 -6.422 17.132 60 HD13 LEU 6 3HD1 LEU 6 7.116 -8.036 17.253 61 HD21 LEU 6 3HD2 LEU 6 6.621 -8.354 14.719 62 HD22 LEU 6 1HD2 LEU 6 5.960 -6.719 14.720 63 HD23 LEU 6 2HD2 LEU 6 4.977 -8.065 14.152 64 H HIS 7 H HIS 7 1.875 -11.158 16.734 65 HA HIS 7 HA HIS 7 3.110 -13.824 16.909 66 HB2 HIS 7 2HB HIS 7 0.662 -12.725 18.320 67 HB3 HIS 7 3HB HIS 7 1.379 -14.309 18.589 68 HD1 HIS 7 HD1 HIS 7 1.237 -11.206 20.178 69 HD2 HIS 7 HD2 HIS 7 4.352 -13.814 19.318 70 HE1 HIS 7 HE1 HIS 7 3.079 -10.600 21.767 71 HE2 HIS 7 HE2 HIS 7 4.868 -12.314 21.357 72 H LEU 8 H LEU 8 -0.021 -12.327 16.067 73 HA LEU 8 HA LEU 8 -1.118 -14.725 14.983 74 HB2 LEU 8 2HB LEU 8 -1.963 -11.835 14.796 75 HB3 LEU 8 3HB LEU 8 -2.848 -13.123 14.003 76 HG LEU 8 HG LEU 8 -3.956 -12.566 16.066 77 HD11 LEU 8 1HD1 LEU 8 -3.985 -14.909 15.434 78 HD12 LEU 8 2HD1 LEU 8 -3.973 -14.735 17.189 79 HD13 LEU 8 3HD1 LEU 8 -2.496 -15.191 16.337 80 HD21 LEU 8 3HD2 LEU 8 -1.344 -13.154 17.466 81 HD22 LEU 8 1HD2 LEU 8 -2.883 -12.788 18.250 82 HD23 LEU 8 2HD2 LEU 8 -2.082 -11.562 17.263 83 H LEU 9 H LEU 9 0.091 -15.591 13.375 84 HA LEU 9 HA LEU 9 0.959 -14.008 11.099 85 HB2 LEU 9 2HB LEU 9 2.184 -15.881 10.397 86 HB3 LEU 9 3HB LEU 9 2.304 -15.899 12.143 87 HG LEU 9 HG LEU 9 0.531 -17.685 10.457 88 HD11 LEU 9 1HD1 LEU 9 2.984 -18.310 12.095 89 HD12 LEU 9 2HD1 LEU 9 2.883 -18.277 10.333 90 HD13 LEU 9 3HD1 LEU 9 1.977 -19.485 11.246 91 HD21 LEU 9 3HD2 LEU 9 0.871 -17.600 13.457 92 HD22 LEU 9 1HD2 LEU 9 0.020 -18.861 12.561 93 HD23 LEU 9 2HD2 LEU 9 -0.590 -17.209 12.548 94 H CYS 10 H CYS 10 0.629 -15.356 8.878 95 HA CYS 10 HA CYS 10 -2.274 -15.393 8.497 96 HB2 CYS 10 2HB CYS 10 -1.775 -15.293 6.103 97 HB3 CYS 10 3HB CYS 10 -0.890 -14.037 6.963 98 HG CYS 10 HG CYS 10 0.750 -16.945 6.450 99 H SER 11 H SER 11 -3.439 -17.166 7.902 100 HA SER 11 HA SER 11 -1.974 -19.711 7.528 101 HB2 SER 11 2HB SER 11 -4.603 -19.285 8.980 102 HB3 SER 11 3HB SER 11 -3.868 -20.856 8.660 103 HG SER 11 HG SER 11 -3.489 -19.535 10.777 104 HA PRO 12 HA PRO 12 -4.231 -19.074 3.547 105 HB2 PRO 12 2HB PRO 12 -2.501 -21.443 2.949 106 HB3 PRO 12 3HB PRO 12 -2.792 -19.987 1.987 107 HG2 PRO 12 2HG PRO 12 -0.512 -20.259 3.308 108 HG3 PRO 12 3HG PRO 12 -1.337 -18.688 3.272 109 HD2 PRO 12 2HD PRO 12 -1.233 -20.726 5.473 110 HD3 PRO 12 3HD PRO 12 -1.146 -18.952 5.570 111 H ASP 13 H ASP 13 -4.030 -21.793 5.679 112 HA ASP 13 HA ASP 13 -5.736 -23.634 4.464 113 HB2 ASP 13 2HB ASP 13 -5.542 -23.010 7.421 114 HB3 ASP 13 3HB ASP 13 -6.098 -24.518 6.700 115 H THR 14 H THR 14 -6.459 -20.544 5.841 116 HA THR 14 HA THR 14 -9.293 -20.986 6.177 117 HB THR 14 HB THR 14 -9.455 -18.557 6.527 118 HG1 THR 14 HG1 THR 14 -7.571 -17.274 6.332 119 HG21 THR 14 3HG2 THR 14 -7.082 -19.787 7.943 120 HG22 THR 14 1HG2 THR 14 -8.772 -19.936 8.425 121 HG23 THR 14 2HG2 THR 14 -7.974 -18.365 8.484 122 H ARG 15 H ARG 15 -7.221 -20.120 3.567 123 HA ARG 15 HA ARG 15 -7.532 -19.568 1.398 124 HB2 ARG 15 2HB ARG 15 -8.843 -21.586 1.265 125 HB3 ARG 15 3HB ARG 15 -10.262 -20.770 1.902 126 HG2 ARG 15 2HG ARG 15 -10.557 -19.523 -0.100 127 HG3 ARG 15 3HG ARG 15 -8.965 -19.989 -0.705 128 HD2 ARG 15 2HD ARG 15 -11.187 -21.961 -0.172 129 HD3 ARG 15 3HD ARG 15 -10.913 -21.205 -1.742 130 HE ARG 15 HE ARG 15 -8.582 -22.229 -1.505 131 HH11 ARG 15 1HH1 ARG 15 -11.437 -23.684 -0.259 132 HH12 ARG 15 2HH1 ARG 15 -10.822 -25.285 -0.416 133 HH21 ARG 15 1HH2 ARG 15 -7.800 -24.283 -1.705 134 HH22 ARG 15 2HH2 ARG 15 -8.773 -25.624 -1.212 135 H GLN 16 H GLN 16 -7.277 -17.368 1.964 136 HA GLN 16 HA GLN 16 -9.715 -15.756 1.541 137 HB2 GLN 16 2HB GLN 16 -7.326 -15.075 3.277 138 HB3 GLN 16 3HB GLN 16 -8.684 -14.002 2.956 139 HG2 GLN 16 2HG GLN 16 -10.196 -15.523 4.085 140 HG3 GLN 16 3HG GLN 16 -8.886 -16.674 4.342 141 HE21 GLN 16 1HE2 GLN 16 -10.248 -13.628 5.314 142 HE22 GLN 16 2HE2 GLN 16 -9.306 -13.446 6.750 143 HA PRO 17 HA PRO 17 -7.385 -14.115 -1.941 144 HB2 PRO 17 2HB PRO 17 -9.010 -12.045 -2.581 145 HB3 PRO 17 3HB PRO 17 -9.450 -13.727 -2.909 146 HG2 PRO 17 2HG PRO 17 -10.287 -11.964 -0.624 147 HG3 PRO 17 3HG PRO 17 -11.283 -13.040 -1.623 148 HD2 PRO 17 2HD PRO 17 -10.393 -13.748 0.840 149 HD3 PRO 17 3HD PRO 17 -10.625 -14.931 -0.463 150 H LEU 18 H LEU 18 -7.869 -12.574 1.039 151 HA LEU 18 HA LEU 18 -5.818 -10.549 0.419 152 HB2 LEU 18 2HB LEU 18 -8.286 -10.193 2.130 153 HB3 LEU 18 3HB LEU 18 -6.960 -9.046 2.073 154 HG LEU 18 HG LEU 18 -8.709 -9.801 -0.279 155 HD11 LEU 18 1HD1 LEU 18 -9.936 -8.500 1.383 156 HD12 LEU 18 2HD1 LEU 18 -9.634 -7.553 -0.074 157 HD13 LEU 18 3HD1 LEU 18 -8.666 -7.274 1.374 158 HD21 LEU 18 3HD2 LEU 18 -6.548 -7.706 -0.020 159 HD22 LEU 18 1HD2 LEU 18 -7.590 -7.952 -1.424 160 HD23 LEU 18 2HD2 LEU 18 -6.440 -9.203 -0.949 161 H SER 19 H SER 19 -4.162 -10.402 1.850 162 HA SER 19 HA SER 19 -4.346 -11.811 4.430 163 HB2 SER 19 2HB SER 19 -2.240 -12.293 2.309 164 HB3 SER 19 3HB SER 19 -2.056 -12.799 3.988 165 HG SER 19 HG SER 19 -4.399 -13.537 2.662 166 H LEU 20 H LEU 20 -2.161 -11.438 5.684 167 HA LEU 20 HA LEU 20 -1.789 -8.642 6.011 168 HB2 LEU 20 2HB LEU 20 -1.387 -10.728 7.629 169 HB3 LEU 20 3HB LEU 20 0.249 -10.593 7.021 170 HG LEU 20 HG LEU 20 -0.027 -9.444 9.175 171 HD11 LEU 20 1HD1 LEU 20 1.655 -8.575 7.649 172 HD12 LEU 20 2HD1 LEU 20 0.927 -7.272 8.590 173 HD13 LEU 20 3HD1 LEU 20 0.457 -7.515 6.905 174 HD21 LEU 20 3HD2 LEU 20 -2.377 -8.855 9.002 175 HD22 LEU 20 1HD2 LEU 20 -2.015 -7.701 7.718 176 HD23 LEU 20 2HD2 LEU 20 -1.408 -7.426 9.352 177 H LEU 21 H LEU 21 -0.235 -7.272 5.211 178 HA LEU 21 HA LEU 21 0.956 -7.833 2.750 179 HB2 LEU 21 2HB LEU 21 0.417 -5.569 3.490 180 HB3 LEU 21 3HB LEU 21 1.652 -5.664 4.731 181 HG LEU 21 HG LEU 21 3.401 -5.786 2.998 182 HD11 LEU 21 1HD1 LEU 21 2.835 -5.359 0.649 183 HD12 LEU 21 2HD1 LEU 21 1.120 -5.444 1.050 184 HD13 LEU 21 3HD1 LEU 21 2.139 -6.873 1.226 185 HD21 LEU 21 3HD2 LEU 21 2.745 -3.607 3.898 186 HD22 LEU 21 1HD2 LEU 21 1.524 -3.447 2.633 187 HD23 LEU 21 2HD2 LEU 21 3.238 -3.483 2.210 188 H GLU 22 H GLU 22 2.709 -8.884 2.182 189 HA GLU 22 HA GLU 22 4.457 -10.209 3.903 190 HB2 GLU 22 2HB GLU 22 4.015 -10.820 1.552 191 HB3 GLU 22 3HB GLU 22 4.886 -9.389 1.019 192 HG2 GLU 22 2HG GLU 22 6.955 -10.264 1.882 193 HG3 GLU 22 3HG GLU 22 6.116 -11.642 2.599 194 H SER 23 H SER 23 6.254 -9.615 4.984 195 HA SER 23 HA SER 23 6.908 -6.954 5.425 196 HB2 SER 23 2HB SER 23 8.931 -7.767 6.580 197 HB3 SER 23 3HB SER 23 7.521 -8.724 7.007 198 HG SER 23 HG SER 23 9.604 -9.829 6.422 199 H LYS 24 H LYS 24 8.316 -9.201 3.113 200 HA LYS 24 HA LYS 24 10.529 -7.777 2.231 201 HB2 LYS 24 2HB LYS 24 8.613 -9.350 0.487 202 HB3 LYS 24 3HB LYS 24 10.293 -8.986 0.122 203 HG2 LYS 24 2HG LYS 24 9.389 -10.669 2.457 204 HG3 LYS 24 3HG LYS 24 9.890 -11.317 0.895 205 HD2 LYS 24 2HD LYS 24 11.635 -9.588 2.657 206 HD3 LYS 24 3HD LYS 24 11.672 -11.351 2.653 207 HE2 LYS 24 2HE LYS 24 12.246 -9.575 0.275 208 HE3 LYS 24 3HE LYS 24 13.458 -10.396 1.259 209 HZ1 LYS 24 3HZ LYS 24 12.386 -12.520 0.601 210 HZ2 LYS 24 1HZ LYS 24 13.074 -11.678 -0.691 211 HZ3 LYS 24 2HZ LYS 24 11.403 -11.660 -0.469 212 H GLY 25 H GLY 25 7.159 -7.527 1.089 213 HA2 GLY 25 2HA GLY 25 7.695 -5.312 -0.667 214 HA3 GLY 25 3HA GLY 25 6.115 -5.937 -0.226 215 H LEU 26 H LEU 26 6.575 -5.640 2.650 216 HA LEU 26 HA LEU 26 5.289 -3.218 3.051 217 HB2 LEU 26 2HB LEU 26 5.265 -5.018 4.683 218 HB3 LEU 26 3HB LEU 26 6.982 -4.819 4.975 219 HG LEU 26 HG LEU 26 6.551 -2.588 5.950 220 HD11 LEU 26 1HD1 LEU 26 3.642 -3.286 5.548 221 HD12 LEU 26 2HD1 LEU 26 4.532 -1.998 4.732 222 HD13 LEU 26 3HD1 LEU 26 4.254 -1.913 6.471 223 HD21 LEU 26 3HD2 LEU 26 6.659 -4.564 7.390 224 HD22 LEU 26 1HD2 LEU 26 4.922 -4.807 7.194 225 HD23 LEU 26 2HD2 LEU 26 5.526 -3.371 8.023 226 H GLU 27 H GLU 27 8.767 -3.906 3.548 227 HA GLU 27 HA GLU 27 9.465 -1.292 4.351 228 HB2 GLU 27 2HB GLU 27 11.799 -1.953 3.853 229 HB3 GLU 27 3HB GLU 27 10.942 -3.147 4.818 230 HG2 GLU 27 2HG GLU 27 10.588 -4.499 2.789 231 HG3 GLU 27 3HG GLU 27 11.519 -3.317 1.864 232 H ALA 28 H ALA 28 9.038 -2.682 1.158 233 HA ALA 28 HA ALA 28 10.286 -0.527 -0.272 234 HB1 ALA 28 3HB ALA 28 8.312 -2.596 -1.247 235 HB2 ALA 28 1HB ALA 28 10.066 -2.764 -1.245 236 HB3 ALA 28 2HB ALA 28 9.300 -1.545 -2.263 237 H LEU 29 H LEU 29 6.956 -1.316 0.661 238 HA LEU 29 HA LEU 29 5.603 0.722 -0.692 239 HB2 LEU 29 2HB LEU 29 5.031 -0.908 1.745 240 HB3 LEU 29 3HB LEU 29 4.039 0.510 1.472 241 HG LEU 29 HG LEU 29 2.994 -1.557 0.621 242 HD11 LEU 29 1HD1 LEU 29 2.466 0.618 -0.395 243 HD12 LEU 29 2HD1 LEU 29 2.350 -0.704 -1.556 244 HD13 LEU 29 3HD1 LEU 29 3.752 0.367 -1.578 245 HD21 LEU 29 3HD2 LEU 29 5.321 -1.631 -1.308 246 HD22 LEU 29 1HD2 LEU 29 3.887 -2.659 -1.375 247 HD23 LEU 29 2HD2 LEU 29 5.000 -2.791 -0.015 248 H ASN 30 H ASN 30 6.861 0.761 2.666 249 HA ASN 30 HA ASN 30 6.091 3.373 3.305 250 HB2 ASN 30 2HB ASN 30 8.370 1.665 4.300 251 HB3 ASN 30 3HB ASN 30 8.063 3.274 4.946 252 HD21 ASN 30 1HD2 ASN 30 6.916 0.007 4.744 253 HD22 ASN 30 2HD2 ASN 30 5.707 0.157 5.969 254 H LYS 31 H LYS 31 9.110 2.257 1.784 255 HA LYS 31 HA LYS 31 10.442 4.710 1.626 256 HB2 LYS 31 2HB LYS 31 10.470 2.379 -0.302 257 HB3 LYS 31 3HB LYS 31 11.622 3.707 -0.337 258 HG2 LYS 31 2HG LYS 31 12.516 3.078 1.793 259 HG3 LYS 31 3HG LYS 31 11.236 1.885 2.036 260 HD2 LYS 31 2HD LYS 31 12.075 0.639 0.057 261 HD3 LYS 31 3HD LYS 31 13.400 1.799 -0.075 262 HE2 LYS 31 2HE LYS 31 12.868 0.102 2.365 263 HE3 LYS 31 3HE LYS 31 13.993 -0.338 1.083 264 HZ1 LYS 31 3HZ LYS 31 15.191 0.680 2.860 265 HZ2 LYS 31 1HZ LYS 31 14.173 2.032 2.859 266 HZ3 LYS 31 2HZ LYS 31 15.199 1.743 1.547 267 H ALA 32 H ALA 32 8.145 3.243 -0.671 268 HA ALA 32 HA ALA 32 8.287 5.313 -2.606 269 HB1 ALA 32 3HB ALA 32 6.300 4.299 -3.578 270 HB2 ALA 32 1HB ALA 32 6.053 3.346 -2.115 271 HB3 ALA 32 2HB ALA 32 7.469 3.062 -3.123 272 H ILE 33 H ILE 33 6.155 4.784 0.176 273 HA ILE 33 HA ILE 33 4.365 6.909 -0.233 274 HB ILE 33 HB ILE 33 5.367 5.757 2.383 275 HG12 ILE 33 2HG1 ILE 33 2.842 5.164 0.806 276 HG13 ILE 33 3HG1 ILE 33 4.263 4.126 0.868 277 HG21 ILE 33 1HG2 ILE 33 2.945 7.483 1.855 278 HG22 ILE 33 2HG2 ILE 33 4.392 7.965 2.737 279 HG23 ILE 33 3HG2 ILE 33 3.339 6.710 3.389 280 HD11 ILE 33 3HD1 ILE 33 2.487 4.843 3.193 281 HD12 ILE 33 1HD1 ILE 33 3.920 3.817 3.270 282 HD13 ILE 33 2HD1 ILE 33 2.521 3.304 2.331 283 H VAL 34 H VAL 34 7.453 6.829 1.551 284 HA VAL 34 HA VAL 34 7.542 9.552 2.277 285 HB VAL 34 HB VAL 34 9.857 7.668 1.723 286 HG11 VAL 34 1HG1 VAL 34 11.188 9.180 3.134 287 HG12 VAL 34 2HG1 VAL 34 9.812 10.279 3.249 288 HG13 VAL 34 3HG1 VAL 34 10.591 10.000 1.690 289 HG21 VAL 34 3HG2 VAL 34 9.888 7.324 4.148 290 HG22 VAL 34 1HG2 VAL 34 8.339 6.839 3.457 291 HG23 VAL 34 2HG2 VAL 34 8.479 8.370 4.321 292 H SER 35 H SER 35 8.533 7.878 -0.669 293 HA SER 35 HA SER 35 9.800 10.038 -1.977 294 HB2 SER 35 2HB SER 35 10.016 7.730 -2.783 295 HB3 SER 35 3HB SER 35 8.298 7.692 -3.181 296 HG SER 35 HG SER 35 10.398 9.101 -4.437 297 H GLY 36 H GLY 36 6.416 9.297 -1.496 298 HA2 GLY 36 2HA GLY 36 4.601 10.718 -1.728 299 HA3 GLY 36 3HA GLY 36 5.667 11.931 -2.408 300 H THR 37 H THR 37 5.847 8.880 -3.940 301 HA THR 37 HA THR 37 4.488 9.967 -6.306 302 HB THR 37 HB THR 37 6.739 9.054 -6.648 303 HG1 THR 37 HG1 THR 37 4.794 7.328 -7.836 304 HG21 THR 37 3HG2 THR 37 5.560 6.408 -5.759 305 HG22 THR 37 1HG2 THR 37 6.745 7.363 -4.866 306 HG23 THR 37 2HG2 THR 37 7.178 6.648 -6.419 307 H VAL 38 H VAL 38 3.503 8.279 -3.713 308 HA VAL 38 HA VAL 38 1.978 6.213 -5.102 309 HB VAL 38 HB VAL 38 2.129 6.836 -2.141 310 HG11 VAL 38 1HG1 VAL 38 1.166 4.598 -1.832 311 HG12 VAL 38 2HG1 VAL 38 0.998 4.432 -3.581 312 HG13 VAL 38 3HG1 VAL 38 0.076 5.664 -2.718 313 HG21 VAL 38 3HG2 VAL 38 3.628 4.909 -1.992 314 HG22 VAL 38 1HG2 VAL 38 4.297 6.155 -3.046 315 HG23 VAL 38 2HG2 VAL 38 3.562 4.711 -3.744 316 H GLN 39 H GLN 39 -0.200 6.271 -5.444 317 HA GLN 39 HA GLN 39 -1.700 8.594 -4.401 318 HB2 GLN 39 2HB GLN 39 -2.177 6.980 -6.920 319 HB3 GLN 39 3HB GLN 39 -3.271 8.220 -6.317 320 HG2 GLN 39 2HG GLN 39 -1.434 9.875 -6.534 321 HG3 GLN 39 3HG GLN 39 -0.436 8.616 -7.262 322 HE21 GLN 39 1HE2 GLN 39 -3.880 8.923 -7.814 323 HE22 GLN 39 2HE2 GLN 39 -3.760 9.372 -9.475 324 H ARG 40 H ARG 40 -3.707 8.297 -3.496 325 HA ARG 40 HA ARG 40 -4.436 5.605 -2.642 326 HB2 ARG 40 2HB ARG 40 -4.492 7.274 -0.923 327 HB3 ARG 40 3HB ARG 40 -5.431 8.371 -1.923 328 HG2 ARG 40 2HG ARG 40 -7.342 6.819 -1.792 329 HG3 ARG 40 3HG ARG 40 -6.397 5.769 -0.737 330 HD2 ARG 40 2HD ARG 40 -6.913 8.661 -0.074 331 HD3 ARG 40 3HD ARG 40 -8.045 7.385 0.369 332 HE ARG 40 HE ARG 40 -5.357 7.789 1.459 333 HH11 ARG 40 1HH1 ARG 40 -8.316 6.049 1.418 334 HH12 ARG 40 2HH1 ARG 40 -8.004 5.248 2.915 335 HH21 ARG 40 1HH2 ARG 40 -4.966 6.763 3.405 336 HH22 ARG 40 2HH2 ARG 40 -6.116 5.618 4.017 337 H ALA 41 H ALA 41 -6.700 4.852 -2.890 338 HA ALA 41 HA ALA 41 -7.514 4.849 -5.567 339 HB1 ALA 41 3HB ALA 41 -9.439 3.564 -4.828 340 HB2 ALA 41 1HB ALA 41 -9.141 4.045 -3.157 341 HB3 ALA 41 2HB ALA 41 -7.974 3.029 -4.004 342 H ASP 42 H ASP 42 -8.099 7.331 -3.342 343 HA ASP 42 HA ASP 42 -10.623 8.171 -4.533 344 HB2 ASP 42 2HB ASP 42 -10.495 10.071 -2.977 345 HB3 ASP 42 3HB ASP 42 -10.281 8.540 -2.132 346 H GLY 43 H GLY 43 -7.245 8.684 -4.978 347 HA2 GLY 43 2HA GLY 43 -6.564 9.572 -7.161 348 HA3 GLY 43 3HA GLY 43 -7.814 10.789 -6.990 349 H SER 44 H SER 44 -6.426 10.416 -4.004 350 HA SER 44 HA SER 44 -4.790 12.828 -4.385 351 HB2 SER 44 2HB SER 44 -6.518 12.848 -2.608 352 HB3 SER 44 3HB SER 44 -5.704 11.500 -1.814 353 HG SER 44 HG SER 44 -5.258 14.011 -1.401 354 H ILE 45 H ILE 45 -2.858 12.883 -2.687 355 HA ILE 45 HA ILE 45 -1.130 10.633 -3.430 356 HB ILE 45 HB ILE 45 -0.463 13.331 -2.226 357 HG12 ILE 45 2HG1 ILE 45 -1.154 13.380 -4.604 358 HG13 ILE 45 3HG1 ILE 45 0.542 13.809 -4.409 359 HG21 ILE 45 1HG2 ILE 45 1.135 11.691 -1.414 360 HG22 ILE 45 2HG2 ILE 45 1.905 12.734 -2.607 361 HG23 ILE 45 3HG2 ILE 45 1.409 11.105 -3.055 362 HD11 ILE 45 3HD1 ILE 45 1.197 11.574 -5.123 363 HD12 ILE 45 1HD1 ILE 45 0.193 12.368 -6.334 364 HD13 ILE 45 2HD1 ILE 45 -0.500 11.126 -5.292 365 H GLN 46 H GLN 46 -0.229 9.226 -2.018 366 HA GLN 46 HA GLN 46 -1.271 9.066 0.661 367 HB2 GLN 46 2HB GLN 46 -0.960 7.033 -0.655 368 HB3 GLN 46 3HB GLN 46 0.762 7.358 -0.795 369 HG2 GLN 46 2HG GLN 46 0.304 5.630 0.864 370 HG3 GLN 46 3HG GLN 46 1.043 7.052 1.599 371 HE21 GLN 46 1HE2 GLN 46 -1.865 5.164 1.314 372 HE22 GLN 46 2HE2 GLN 46 -2.694 5.892 2.639 373 H ASN 47 H ASN 47 -0.392 9.957 2.425 374 HA ASN 47 HA ASN 47 2.480 10.693 2.388 375 HB2 ASN 47 2HB ASN 47 0.226 12.058 3.891 376 HB3 ASN 47 3HB ASN 47 1.916 12.555 3.888 377 HD21 ASN 47 1HD2 ASN 47 2.276 12.024 1.038 378 HD22 ASN 47 2HD2 ASN 47 1.446 13.302 0.221 379 H GLN 48 H GLN 48 0.155 8.754 3.873 380 HA GLN 48 HA GLN 48 1.362 8.770 6.530 381 HB2 GLN 48 2HB GLN 48 -0.995 7.193 5.484 382 HB3 GLN 48 3HB GLN 48 -0.513 7.350 7.168 383 HG2 GLN 48 2HG GLN 48 -1.046 9.708 7.147 384 HG3 GLN 48 3HG GLN 48 -1.406 9.640 5.422 385 HE21 GLN 48 1HE2 GLN 48 -2.493 8.747 8.603 386 HE22 GLN 48 2HE2 GLN 48 -4.117 8.373 8.156 387 H SER 49 H SER 49 2.990 7.421 7.018 388 HA SER 49 HA SER 49 3.613 5.081 5.469 389 HB2 SER 49 2HB SER 49 5.355 4.692 7.229 390 HB3 SER 49 3HB SER 49 5.432 6.297 6.507 391 HG SER 49 HG SER 49 5.230 7.050 8.444 392 H LEU 50 H LEU 50 4.004 2.914 6.718 393 HA LEU 50 HA LEU 50 2.073 2.335 8.775 394 HB2 LEU 50 2HB LEU 50 0.904 0.581 7.308 395 HB3 LEU 50 3HB LEU 50 0.457 2.264 7.118 396 HG LEU 50 HG LEU 50 2.013 2.343 5.111 397 HD11 LEU 50 1HD1 LEU 50 3.364 0.383 5.555 398 HD12 LEU 50 2HD1 LEU 50 2.534 0.215 4.009 399 HD13 LEU 50 3HD1 LEU 50 1.945 -0.655 5.427 400 HD21 LEU 50 3HD2 LEU 50 0.385 1.315 3.609 401 HD22 LEU 50 1HD2 LEU 50 -0.413 2.231 4.887 402 HD23 LEU 50 2HD2 LEU 50 -0.352 0.471 4.972 403 H HIS 51 H HIS 51 2.280 0.326 9.747 404 HA HIS 51 HA HIS 51 4.525 -1.363 8.820 405 HB2 HIS 51 2HB HIS 51 3.631 -0.578 11.566 406 HB3 HIS 51 3HB HIS 51 4.351 -2.169 11.348 407 HD1 HIS 51 HD1 HIS 51 5.207 1.481 10.721 408 HD2 HIS 51 HD2 HIS 51 7.062 -2.183 11.345 409 HE1 HIS 51 HE1 HIS 51 7.659 1.991 10.902 410 HE2 HIS 51 HE2 HIS 51 8.764 -0.242 11.244 411 H GLU 52 H GLU 52 1.171 -1.255 9.669 412 HA GLU 52 HA GLU 52 0.950 -4.144 9.106 413 HB2 GLU 52 2HB GLU 52 -0.938 -2.404 10.722 414 HB3 GLU 52 3HB GLU 52 -1.174 -4.108 10.366 415 HG2 GLU 52 2HG GLU 52 -0.375 -4.027 12.571 416 HG3 GLU 52 3HG GLU 52 0.997 -4.542 11.593 417 H ALA 53 H ALA 53 -0.069 -4.677 7.283 418 HA ALA 53 HA ALA 53 -2.163 -3.017 6.149 419 HB1 ALA 53 3HB ALA 53 0.409 -3.480 4.629 420 HB2 ALA 53 1HB ALA 53 -0.151 -1.937 5.274 421 HB3 ALA 53 2HB ALA 53 -1.050 -2.731 3.981 422 H LEU 54 H LEU 54 -2.787 -4.048 3.880 423 HA LEU 54 HA LEU 54 -2.741 -6.991 4.187 424 HB2 LEU 54 2HB LEU 54 -5.080 -5.292 3.296 425 HB3 LEU 54 3HB LEU 54 -5.062 -7.045 3.367 426 HG LEU 54 HG LEU 54 -4.795 -5.207 5.758 427 HD11 LEU 54 1HD1 LEU 54 -7.031 -5.116 4.782 428 HD12 LEU 54 2HD1 LEU 54 -7.045 -5.941 6.339 429 HD13 LEU 54 3HD1 LEU 54 -7.138 -6.875 4.845 430 HD21 LEU 54 3HD2 LEU 54 -5.048 -7.243 7.083 431 HD22 LEU 54 1HD2 LEU 54 -3.619 -7.334 6.054 432 HD23 LEU 54 2HD2 LEU 54 -5.082 -8.214 5.608 433 H ILE 55 H ILE 55 -2.159 -8.120 2.419 434 HA ILE 55 HA ILE 55 -1.748 -6.649 -0.092 435 HB ILE 55 HB ILE 55 0.227 -7.751 0.902 436 HG12 ILE 55 2HG1 ILE 55 0.974 -8.959 -1.134 437 HG13 ILE 55 3HG1 ILE 55 -0.685 -8.971 -1.722 438 HG21 ILE 55 1HG2 ILE 55 0.415 -10.195 0.927 439 HG22 ILE 55 2HG2 ILE 55 -1.268 -10.331 0.417 440 HG23 ILE 55 3HG2 ILE 55 -0.877 -9.632 1.988 441 HD11 ILE 55 3HD1 ILE 55 0.985 -6.519 -1.205 442 HD12 ILE 55 1HD1 ILE 55 -0.668 -6.535 -1.824 443 HD13 ILE 55 2HD1 ILE 55 0.640 -7.228 -2.782 444 H THR 56 H THR 56 -2.545 -7.386 -2.045 445 HA THR 56 HA THR 56 -4.889 -9.093 -1.955 446 HB THR 56 HB THR 56 -5.067 -8.531 -4.402 447 HG1 THR 56 HG1 THR 56 -3.098 -6.562 -4.070 448 HG21 THR 56 3HG2 THR 56 -6.205 -7.145 -2.719 449 HG22 THR 56 1HG2 THR 56 -5.643 -6.169 -4.075 450 HG23 THR 56 2HG2 THR 56 -4.755 -6.154 -2.553 451 H ARG 57 H ARG 57 -5.240 -10.903 -3.352 452 HA ARG 57 HA ARG 57 -3.315 -12.883 -3.472 453 HB2 ARG 57 2HB ARG 57 -4.791 -13.941 -5.208 454 HB3 ARG 57 3HB ARG 57 -5.636 -13.422 -3.754 455 HG2 ARG 57 2HG ARG 57 -6.535 -11.506 -4.858 456 HG3 ARG 57 3HG ARG 57 -5.515 -11.768 -6.272 457 HD2 ARG 57 2HD ARG 57 -6.722 -13.787 -6.826 458 HD3 ARG 57 3HD ARG 57 -7.659 -13.677 -5.335 459 HE ARG 57 HE ARG 57 -8.945 -11.997 -6.274 460 HH11 ARG 57 1HH1 ARG 57 -6.350 -12.801 -8.415 461 HH12 ARG 57 2HH1 ARG 57 -7.058 -11.956 -9.745 462 HH21 ARG 57 1HH2 ARG 57 -9.838 -10.944 -7.985 463 HH22 ARG 57 2HH2 ARG 57 -9.014 -10.915 -9.507 464 H ASP 58 H ASP 58 -3.996 -10.369 -5.839 465 HA ASP 58 HA ASP 58 -2.097 -11.478 -7.770 466 HB2 ASP 58 2HB ASP 58 -2.931 -9.508 -9.164 467 HB3 ASP 58 3HB ASP 58 -4.121 -10.745 -8.764 468 H ARG 59 H ARG 59 -2.056 -9.314 -5.194 469 HA ARG 59 HA ARG 59 -0.559 -7.853 -4.357 470 HB2 ARG 59 2HB ARG 59 1.297 -9.272 -6.280 471 HB3 ARG 59 3HB ARG 59 1.833 -8.146 -5.038 472 HG2 ARG 59 2HG ARG 59 0.733 -9.641 -3.339 473 HG3 ARG 59 3HG ARG 59 0.481 -10.810 -4.635 474 HD2 ARG 59 2HD ARG 59 2.865 -11.012 -4.979 475 HD3 ARG 59 3HD ARG 59 3.180 -9.720 -3.815 476 HE ARG 59 HE ARG 59 1.736 -12.019 -2.796 477 HH11 ARG 59 1HH1 ARG 59 4.829 -10.551 -3.219 478 HH12 ARG 59 2HH1 ARG 59 5.522 -11.386 -1.868 479 HH21 ARG 59 1HH2 ARG 59 2.635 -13.075 -1.092 480 HH22 ARG 59 2HH2 ARG 59 4.296 -12.807 -0.686 481 H LYS 60 H LYS 60 -2.079 -7.119 -6.888 482 HA LYS 60 HA LYS 60 -0.361 -5.026 -7.993 483 HB2 LYS 60 2HB LYS 60 -3.292 -5.587 -8.506 484 HB3 LYS 60 3HB LYS 60 -2.292 -4.450 -9.397 485 HG2 LYS 60 2HG LYS 60 -0.896 -6.307 -10.194 486 HG3 LYS 60 3HG LYS 60 -1.920 -7.445 -9.313 487 HD2 LYS 60 2HD LYS 60 -2.745 -5.657 -11.607 488 HD3 LYS 60 3HD LYS 60 -2.588 -7.415 -11.633 489 HE2 LYS 60 2HE LYS 60 -4.409 -7.588 -9.981 490 HE3 LYS 60 3HE LYS 60 -4.571 -5.833 -9.992 491 HZ1 LYS 60 3HZ LYS 60 -5.070 -6.001 -12.398 492 HZ2 LYS 60 1HZ LYS 60 -6.216 -6.758 -11.411 493 HZ3 LYS 60 2HZ LYS 60 -5.083 -7.687 -12.245 494 H GLN 61 H GLN 61 -2.954 -5.390 -5.673 495 HA GLN 61 HA GLN 61 -2.723 -2.515 -5.019 496 HB2 GLN 61 2HB GLN 61 -5.187 -4.262 -4.804 497 HB3 GLN 61 3HB GLN 61 -5.074 -2.614 -4.200 498 HG2 GLN 61 2HG GLN 61 -4.664 -1.811 -6.484 499 HG3 GLN 61 3HG GLN 61 -4.809 -3.465 -7.080 500 HE21 GLN 61 1HE2 GLN 61 -6.547 -2.939 -8.397 501 HE22 GLN 61 2HE2 GLN 61 -8.117 -2.612 -7.765 502 H VAL 62 H VAL 62 -2.789 -1.922 -2.830 503 HA VAL 62 HA VAL 62 -2.563 -4.101 -0.850 504 HB VAL 62 HB VAL 62 -0.852 -1.595 -0.899 505 HG11 VAL 62 1HG1 VAL 62 -0.813 -3.961 0.985 506 HG12 VAL 62 2HG1 VAL 62 -1.334 -2.322 1.373 507 HG13 VAL 62 3HG1 VAL 62 0.353 -2.639 0.974 508 HG21 VAL 62 3HG2 VAL 62 -0.105 -4.463 -1.491 509 HG22 VAL 62 1HG2 VAL 62 1.034 -3.125 -1.334 510 HG23 VAL 62 2HG2 VAL 62 -0.148 -3.129 -2.642 511 H PHE 63 H PHE 63 -3.933 -3.849 0.836 512 HA PHE 63 HA PHE 63 -5.269 -1.269 1.234 513 HB2 PHE 63 2HB PHE 63 -5.872 -4.015 2.361 514 HB3 PHE 63 3HB PHE 63 -6.797 -2.567 2.728 515 HD1 PHE 63 HD2 PHE 63 -6.017 -5.076 0.170 516 HD2 PHE 63 HD1 PHE 63 -8.286 -1.590 1.094 517 HE1 PHE 63 HE2 PHE 63 -7.437 -5.480 -1.795 518 HE2 PHE 63 HE1 PHE 63 -9.707 -1.991 -0.873 519 HZ PHE 63 HZ PHE 63 -9.284 -3.934 -2.321 520 H ARG 64 H ARG 64 -5.849 -0.927 3.738 521 HA ARG 64 HA ARG 64 -3.293 -1.089 5.216 522 HB2 ARG 64 2HB ARG 64 -3.812 1.154 4.101 523 HB3 ARG 64 3HB ARG 64 -5.129 1.312 5.253 524 HG2 ARG 64 2HG ARG 64 -3.528 1.222 7.103 525 HG3 ARG 64 3HG ARG 64 -2.204 1.044 5.950 526 HD2 ARG 64 2HD ARG 64 -2.959 3.245 4.940 527 HD3 ARG 64 3HD ARG 64 -4.019 3.422 6.337 528 HE ARG 64 HE ARG 64 -1.100 3.146 6.618 529 HH11 ARG 64 1HH1 ARG 64 -4.056 4.744 7.379 530 HH12 ARG 64 2HH1 ARG 64 -3.298 5.868 8.452 531 HH21 ARG 64 1HH2 ARG 64 -0.135 4.600 7.994 532 HH22 ARG 64 2HH2 ARG 64 -1.106 5.782 8.798 533 H ILE 65 H ILE 65 -3.471 -0.952 7.556 534 HA ILE 65 HA ILE 65 -6.122 -1.787 8.576 535 HB ILE 65 HB ILE 65 -3.374 -2.408 9.697 536 HG12 ILE 65 2HG1 ILE 65 -5.420 -4.205 8.354 537 HG13 ILE 65 3HG1 ILE 65 -3.900 -3.667 7.641 538 HG21 ILE 65 1HG2 ILE 65 -5.028 -2.162 11.475 539 HG22 ILE 65 2HG2 ILE 65 -4.554 -3.850 11.299 540 HG23 ILE 65 3HG2 ILE 65 -6.100 -3.297 10.655 541 HD11 ILE 65 3HD1 ILE 65 -4.200 -5.433 10.064 542 HD12 ILE 65 1HD1 ILE 65 -2.672 -4.885 9.373 543 HD13 ILE 65 2HD1 ILE 65 -3.730 -5.944 8.443 544 H GLU 66 H GLU 66 -7.111 -0.477 10.025 545 HA GLU 66 HA GLU 66 -5.541 1.695 11.261 546 HB2 GLU 66 2HB GLU 66 -7.681 2.828 11.650 547 HB3 GLU 66 3HB GLU 66 -7.482 2.432 9.949 548 HG2 GLU 66 2HG GLU 66 -9.066 0.678 10.066 549 HG3 GLU 66 3HG GLU 66 -9.063 0.692 11.827 550 H ASP 67 H ASP 67 -5.048 1.567 13.374 551 HA ASP 67 HA ASP 67 -5.012 0.943 15.559 552 HB2 ASP 67 2HB ASP 67 -7.274 2.023 15.478 553 HB3 ASP 67 3HB ASP 67 -7.978 0.434 15.208 554 H SER 68 H SER 68 -7.644 -1.274 14.717 555 HA SER 68 HA SER 68 -5.821 -3.574 14.714 556 HB2 SER 68 2HB SER 68 -8.276 -3.434 16.493 557 HB3 SER 68 3HB SER 68 -7.196 -4.816 16.320 558 HG SER 68 HG SER 68 -6.532 -2.256 17.374 559 H ILE 69 H ILE 69 -8.140 -1.960 13.163 560 HA ILE 69 HA ILE 69 -9.856 -4.212 12.439 561 HB ILE 69 HB ILE 69 -10.117 -1.312 11.619 562 HG12 ILE 69 2HG1 ILE 69 -10.247 -1.489 14.062 563 HG13 ILE 69 3HG1 ILE 69 -11.830 -1.125 13.391 564 HG21 ILE 69 1HG2 ILE 69 -12.091 -3.600 11.537 565 HG22 ILE 69 2HG2 ILE 69 -11.303 -2.842 10.152 566 HG23 ILE 69 3HG2 ILE 69 -12.450 -1.922 11.124 567 HD11 ILE 69 3HD1 ILE 69 -10.879 -3.816 14.344 568 HD12 ILE 69 1HD1 ILE 69 -12.458 -3.481 13.636 569 HD13 ILE 69 2HD1 ILE 69 -12.006 -2.744 15.172 570 HA PRO 70 HA PRO 70 -7.465 -4.587 8.586 571 HB2 PRO 70 2HB PRO 70 -8.835 -6.741 7.626 572 HB3 PRO 70 3HB PRO 70 -7.565 -6.878 8.849 573 HG2 PRO 70 2HG PRO 70 -10.541 -6.828 9.211 574 HG3 PRO 70 3HG PRO 70 -9.342 -7.883 9.984 575 HD2 PRO 70 2HD PRO 70 -10.393 -5.721 11.235 576 HD3 PRO 70 3HD PRO 70 -8.725 -6.263 11.520 577 H VAL 71 H VAL 71 -8.102 -2.765 7.439 578 HA VAL 71 HA VAL 71 -10.841 -2.364 6.653 579 HB VAL 71 HB VAL 71 -8.412 -0.801 5.749 580 HG11 VAL 71 1HG1 VAL 71 -10.035 1.011 5.363 581 HG12 VAL 71 2HG1 VAL 71 -11.348 -0.079 5.802 582 HG13 VAL 71 3HG1 VAL 71 -10.376 -0.402 4.367 583 HG21 VAL 71 3HG2 VAL 71 -8.943 0.761 7.571 584 HG22 VAL 71 1HG2 VAL 71 -8.523 -0.837 8.185 585 HG23 VAL 71 2HG2 VAL 71 -10.211 -0.329 8.133 586 H LEU 72 H LEU 72 -11.604 -3.748 5.165 587 HA LEU 72 HA LEU 72 -10.042 -4.493 2.821 588 HB2 LEU 72 2HB LEU 72 -12.902 -5.215 3.491 589 HB3 LEU 72 3HB LEU 72 -11.862 -5.999 2.316 590 HG LEU 72 HG LEU 72 -11.514 -6.052 5.320 591 HD11 LEU 72 1HD1 LEU 72 -13.365 -7.434 4.547 592 HD12 LEU 72 2HD1 LEU 72 -12.027 -8.430 5.119 593 HD13 LEU 72 3HD1 LEU 72 -12.301 -8.232 3.387 594 HD21 LEU 72 3HD2 LEU 72 -9.348 -6.049 4.192 595 HD22 LEU 72 1HD2 LEU 72 -9.866 -7.394 3.175 596 HD23 LEU 72 2HD2 LEU 72 -9.684 -7.622 4.916 597 H LEU 73 H LEU 73 -11.809 -1.869 3.635 598 HA LEU 73 HA LEU 73 -13.495 -1.422 1.402 599 HB2 LEU 73 2HB LEU 73 -12.212 0.567 3.282 600 HB3 LEU 73 3HB LEU 73 -13.523 0.926 2.175 601 HG LEU 73 HG LEU 73 -13.668 -0.989 4.515 602 HD11 LEU 73 1HD1 LEU 73 -13.533 1.339 5.230 603 HD12 LEU 73 2HD1 LEU 73 -15.137 0.675 5.530 604 HD13 LEU 73 3HD1 LEU 73 -14.874 1.756 4.162 605 HD21 LEU 73 3HD2 LEU 73 -15.123 -1.697 2.689 606 HD22 LEU 73 1HD2 LEU 73 -15.826 -0.082 2.602 607 HD23 LEU 73 2HD2 LEU 73 -16.072 -1.076 4.037 608 HA PRO 74 HA PRO 74 -10.651 -0.357 -1.814 609 HB2 PRO 74 2HB PRO 74 -12.144 1.503 -3.195 610 HB3 PRO 74 3HB PRO 74 -12.388 -0.243 -3.308 611 HG2 PRO 74 2HG PRO 74 -13.859 1.772 -1.641 612 HG3 PRO 74 3HG PRO 74 -14.508 0.429 -2.604 613 HD2 PRO 74 2HD PRO 74 -14.246 0.228 0.057 614 HD3 PRO 74 3HD PRO 74 -13.929 -1.164 -1.001 615 H GLU 75 H GLU 75 -11.807 2.000 0.405 616 HA GLU 75 HA GLU 75 -10.659 4.368 -0.413 617 HB2 GLU 75 2HB GLU 75 -10.872 3.283 2.405 618 HB3 GLU 75 3HB GLU 75 -10.553 4.964 1.994 619 HG2 GLU 75 2HG GLU 75 -13.056 3.407 1.356 620 HG3 GLU 75 3HG GLU 75 -12.876 4.667 2.578 621 H GLU 76 H GLU 76 -9.110 1.732 1.401 622 HA GLU 76 HA GLU 76 -6.600 3.209 1.558 623 HB2 GLU 76 2HB GLU 76 -7.133 0.389 2.506 624 HB3 GLU 76 3HB GLU 76 -5.830 1.460 3.003 625 HG2 GLU 76 2HG GLU 76 -8.761 1.719 3.648 626 HG3 GLU 76 3HG GLU 76 -7.449 1.335 4.759 627 H ALA 77 H ALA 77 -7.887 1.672 -0.938 628 HA ALA 77 HA ALA 77 -6.016 -0.368 -1.592 629 HB1 ALA 77 3HB ALA 77 -7.081 -0.427 -3.771 630 HB2 ALA 77 1HB ALA 77 -7.876 1.116 -3.455 631 HB3 ALA 77 2HB ALA 77 -8.303 -0.307 -2.505 632 H ILE 78 H ILE 78 -3.922 0.262 -1.638 633 HA ILE 78 HA ILE 78 -3.043 2.500 -3.292 634 HB ILE 78 HB ILE 78 -1.496 0.545 -1.574 635 HG12 ILE 78 2HG1 ILE 78 -2.887 2.081 -0.266 636 HG13 ILE 78 3HG1 ILE 78 -1.183 2.474 -0.064 637 HG21 ILE 78 1HG2 ILE 78 0.437 2.036 -1.890 638 HG22 ILE 78 2HG2 ILE 78 -0.492 2.979 -3.054 639 HG23 ILE 78 3HG2 ILE 78 -0.091 1.295 -3.401 640 HD11 ILE 78 3HD1 ILE 78 -2.545 4.473 -0.274 641 HD12 ILE 78 1HD1 ILE 78 -3.123 3.930 -1.849 642 HD13 ILE 78 2HD1 ILE 78 -1.419 4.330 -1.621 643 H ALA 79 H ALA 79 -2.104 2.296 -5.287 644 HA ALA 79 HA ALA 79 -2.081 -0.360 -6.518 645 HB1 ALA 79 3HB ALA 79 -3.233 1.457 -7.681 646 HB2 ALA 79 1HB ALA 79 -1.891 0.833 -8.640 647 HB3 ALA 79 2HB ALA 79 -1.722 2.363 -7.776 648 H THR 80 H THR 80 -0.261 -1.519 -6.691 649 HA THR 80 HA THR 80 2.268 -0.625 -5.841 650 HB THR 80 HB THR 80 3.171 -2.735 -6.842 651 HG1 THR 80 HG1 THR 80 1.531 -4.198 -7.681 652 HG21 THR 80 3HG2 THR 80 1.927 -4.253 -5.367 653 HG22 THR 80 1HG2 THR 80 0.657 -3.043 -5.187 654 HG23 THR 80 2HG2 THR 80 2.276 -2.723 -4.565 655 H ILE 81 H ILE 81 0.772 -0.297 -8.935 656 HA ILE 81 HA ILE 81 3.024 -0.153 -10.603 657 HB ILE 81 HB ILE 81 0.718 -0.231 -11.458 658 HG12 ILE 81 2HG1 ILE 81 0.967 1.448 -13.283 659 HG13 ILE 81 3HG1 ILE 81 2.281 2.202 -12.384 660 HG21 ILE 81 1HG2 ILE 81 0.513 2.632 -10.519 661 HG22 ILE 81 2HG2 ILE 81 -0.344 1.247 -9.842 662 HG23 ILE 81 3HG2 ILE 81 -0.686 1.774 -11.489 663 HD11 ILE 81 3HD1 ILE 81 2.271 -0.614 -13.455 664 HD12 ILE 81 1HD1 ILE 81 3.593 0.161 -12.581 665 HD13 ILE 81 2HD1 ILE 81 3.109 0.769 -14.162 666 H GLN 82 H GLN 82 1.759 2.133 -8.293 667 HA GLN 82 HA GLN 82 3.403 4.344 -9.210 668 HB2 GLN 82 2HB GLN 82 1.635 3.987 -6.780 669 HB3 GLN 82 3HB GLN 82 2.531 5.459 -7.115 670 HG2 GLN 82 2HG GLN 82 0.450 4.279 -8.949 671 HG3 GLN 82 3HG GLN 82 0.143 5.557 -7.774 672 HE21 GLN 82 1HE2 GLN 82 1.075 7.610 -8.127 673 HE22 GLN 82 2HE2 GLN 82 1.609 8.097 -9.692 674 H ILE 83 H ILE 83 4.041 1.569 -7.480 675 HA ILE 83 HA ILE 83 5.887 2.762 -5.560 676 HB ILE 83 HB ILE 83 5.377 -0.180 -6.071 677 HG12 ILE 83 2HG1 ILE 83 3.282 0.923 -5.420 678 HG13 ILE 83 3HG1 ILE 83 3.867 -0.109 -4.121 679 HG21 ILE 83 1HG2 ILE 83 6.310 -0.489 -3.815 680 HG22 ILE 83 2HG2 ILE 83 6.624 1.244 -3.711 681 HG23 ILE 83 3HG2 ILE 83 7.473 0.265 -4.908 682 HD11 ILE 83 3HD1 ILE 83 2.992 1.982 -3.270 683 HD12 ILE 83 1HD1 ILE 83 4.142 2.885 -4.258 684 HD13 ILE 83 2HD1 ILE 83 4.722 1.848 -2.951 685 H ALA 84 H ALA 84 7.464 3.653 -6.958 686 HA ALA 84 HA ALA 84 8.791 2.293 -9.027 687 HB1 ALA 84 3HB ALA 84 10.453 4.050 -8.907 688 HB2 ALA 84 1HB ALA 84 9.892 4.509 -7.298 689 HB3 ALA 84 2HB ALA 84 8.841 4.736 -8.696 690 H ASN 85 H ASN 85 8.971 1.750 -5.702 691 HA ASN 85 HA ASN 85 11.707 0.712 -5.727 692 HB2 ASN 85 2HB ASN 85 9.700 0.981 -3.474 693 HB3 ASN 85 3HB ASN 85 11.376 0.462 -3.289 694 HD21 ASN 85 1HD2 ASN 85 9.886 2.818 -2.255 695 HD22 ASN 85 2HD2 ASN 85 10.836 4.183 -2.728 696 H PHE 86 H PHE 86 8.767 -0.503 -6.590 697 HA PHE 86 HA PHE 86 8.777 -3.048 -5.308 698 HB2 PHE 86 2HB PHE 86 6.882 -1.729 -6.633 699 HB3 PHE 86 3HB PHE 86 7.498 -2.663 -7.992 700 HD1 PHE 86 HD1 PHE 86 6.219 -3.011 -4.527 701 HD2 PHE 86 HD2 PHE 86 6.738 -4.858 -8.328 702 HE1 PHE 86 HE1 PHE 86 4.851 -4.916 -3.783 703 HE2 PHE 86 HE2 PHE 86 5.369 -6.769 -7.591 704 HZ PHE 86 HZ PHE 86 4.424 -6.798 -5.317 705 HA PRO 87 HA PRO 87 12.168 -4.607 -7.775 706 HB2 PRO 87 2HB PRO 87 12.529 -6.960 -6.538 707 HB3 PRO 87 3HB PRO 87 12.894 -5.424 -5.739 708 HG2 PRO 87 2HG PRO 87 10.483 -7.183 -5.447 709 HG3 PRO 87 3HG PRO 87 11.408 -6.336 -4.194 710 HD2 PRO 87 2HD PRO 87 9.043 -5.406 -5.266 711 HD3 PRO 87 3HD PRO 87 10.274 -4.369 -4.521 712 H ASP 88 H ASP 88 12.171 -5.464 -9.739 713 HA ASP 88 HA ASP 88 11.146 -8.129 -10.211 714 HB2 ASP 88 2HB ASP 88 9.267 -6.398 -10.722 715 HB3 ASP 88 3HB ASP 88 10.235 -5.968 -12.128 716 H LYS 89 H LYS 89 11.435 -7.804 -13.163 717 HA LYS 89 HA LYS 89 14.246 -8.121 -13.408 718 HB2 LYS 89 2HB LYS 89 13.776 -8.187 -15.864 719 HB3 LYS 89 3HB LYS 89 12.810 -9.308 -14.915 720 HG2 LYS 89 2HG LYS 89 10.951 -7.636 -14.973 721 HG3 LYS 89 3HG LYS 89 11.922 -6.683 -16.094 722 HD2 LYS 89 2HD LYS 89 11.859 -8.402 -17.745 723 HD3 LYS 89 3HD LYS 89 11.184 -9.565 -16.599 724 HE2 LYS 89 2HE LYS 89 9.796 -7.065 -17.579 725 HE3 LYS 89 3HE LYS 89 9.489 -8.700 -18.163 726 HZ1 LYS 89 3HZ LYS 89 7.879 -7.944 -16.480 727 HZ2 LYS 89 1HZ LYS 89 9.125 -7.833 -15.342 728 HZ3 LYS 89 2HZ LYS 89 8.708 -9.336 -16.001 729 H LEU 90 H LEU 90 15.169 -6.834 -15.557 730 HA LEU 90 HA LEU 90 15.726 -4.236 -14.473 731 HB2 LEU 90 2HB LEU 90 16.637 -5.524 -17.047 732 HB3 LEU 90 3HB LEU 90 17.294 -4.046 -16.369 733 HG LEU 90 HG LEU 90 17.457 -6.789 -15.102 734 HD11 LEU 90 1HD1 LEU 90 19.599 -5.095 -16.390 735 HD12 LEU 90 2HD1 LEU 90 18.884 -6.557 -17.073 736 HD13 LEU 90 3HD1 LEU 90 19.836 -6.652 -15.592 737 HD21 LEU 90 3HD2 LEU 90 18.947 -5.722 -13.469 738 HD22 LEU 90 1HD2 LEU 90 17.320 -5.044 -13.406 739 HD23 LEU 90 2HD2 LEU 90 18.618 -4.149 -14.199 740 H GLU 91 H GLU 91 13.021 -4.215 -15.134 741 HA GLU 91 HA GLU 91 12.653 -2.946 -17.707 742 HB2 GLU 91 2HB GLU 91 10.878 -4.361 -16.756 743 HB3 GLU 91 3HB GLU 91 10.726 -3.263 -15.390 744 HG2 GLU 91 2HG GLU 91 10.094 -1.458 -17.007 745 HG3 GLU 91 3HG GLU 91 10.079 -2.683 -18.274 746 H HIS 92 H HIS 92 13.299 -0.905 -18.017 747 HA HIS 92 HA HIS 92 12.900 1.071 -15.852 748 HB2 HIS 92 2HB HIS 92 14.913 1.041 -18.113 749 HB3 HIS 92 3HB HIS 92 14.630 2.441 -17.079 750 HD1 HIS 92 HD1 HIS 92 16.030 2.562 -15.037 751 HD2 HIS 92 HD2 HIS 92 15.806 -1.306 -16.530 752 HE1 HIS 92 HE1 HIS 92 17.586 1.203 -13.617 753 HE2 HIS 92 HE2 HIS 92 17.216 -1.165 -14.373 754 H HIS 93 H HIS 93 10.660 1.315 -16.523 755 HA HIS 93 HA HIS 93 10.208 2.527 -19.151 756 HB2 HIS 93 2HB HIS 93 7.821 2.304 -18.655 757 HB3 HIS 93 3HB HIS 93 8.651 0.775 -18.406 758 HD1 HIS 93 HD1 HIS 93 8.176 -0.364 -16.240 759 HD2 HIS 93 HD2 HIS 93 7.272 3.689 -16.089 760 HE1 HIS 93 HE1 HIS 93 7.090 0.000 -14.013 761 HE2 HIS 93 HE2 HIS 93 6.372 2.406 -14.035 762 H HIS 94 H HIS 94 11.181 3.670 -16.249 763 HA HIS 94 HA HIS 94 10.221 6.358 -16.835 764 HB2 HIS 94 2HB HIS 94 8.508 5.345 -15.307 765 HB3 HIS 94 3HB HIS 94 9.769 5.122 -14.101 766 HD1 HIS 94 HD1 HIS 94 7.810 7.824 -15.845 767 HD2 HIS 94 HD2 HIS 94 10.387 7.379 -12.614 768 HE1 HIS 94 HE1 HIS 94 7.728 10.006 -14.611 769 HE2 HIS 94 HE2 HIS 94 9.138 9.641 -12.560 770 H HIS 95 H HIS 95 11.900 7.719 -16.635 771 HA HIS 95 HA HIS 95 14.351 6.848 -15.377 772 HB2 HIS 95 2HB HIS 95 13.642 9.510 -16.636 773 HB3 HIS 95 3HB HIS 95 15.254 9.024 -16.123 774 HD1 HIS 95 HD1 HIS 95 16.245 6.869 -17.453 775 HD2 HIS 95 HD2 HIS 95 13.020 8.824 -19.198 776 HE1 HIS 95 HE1 HIS 95 16.233 6.138 -19.850 777 HE2 HIS 95 HE2 HIS 95 14.364 7.436 -20.917 778 H HIS 96 H HIS 96 15.252 7.555 -13.505 779 HA HIS 96 HA HIS 96 14.308 9.800 -12.027 780 HB2 HIS 96 2HB HIS 96 13.556 8.490 -10.005 781 HB3 HIS 96 3HB HIS 96 12.466 8.425 -11.381 782 HD1 HIS 96 HD1 HIS 96 11.868 6.292 -9.582 783 HD2 HIS 96 HD2 HIS 96 15.004 5.891 -12.273 784 HE1 HIS 96 HE1 HIS 96 12.248 3.824 -9.807 785 HE2 HIS 96 HE2 HIS 96 14.275 3.622 -11.276 786 H HIS 97 H HIS 97 15.801 10.479 -10.572 787 HA HIS 97 HA HIS 97 17.868 10.755 -9.676 788 HB2 HIS 97 2HB HIS 97 17.973 7.725 -9.598 789 HB3 HIS 97 3HB HIS 97 19.054 8.815 -8.736 790 HD1 HIS 97 HD1 HIS 97 16.533 6.677 -7.885 791 HD2 HIS 97 HD2 HIS 97 17.042 10.741 -7.187 792 HE1 HIS 97 HE1 HIS 97 15.065 7.213 -5.922 793 HE2 HIS 97 HE2 HIS 97 15.526 9.630 -5.416 Start of MODEL 6 1 H1 MET 1 1H MET 1 10.919 -12.129 8.044 2 H2 MET 1 2H MET 1 11.991 -13.438 8.061 3 H3 MET 1 3H MET 1 12.402 -12.025 7.235 4 HA MET 1 HA MET 1 13.567 -12.247 9.377 5 HB2 MET 1 2HB MET 1 13.170 -9.955 10.106 6 HB3 MET 1 3HB MET 1 13.155 -10.039 8.350 7 HG2 MET 1 2HG MET 1 10.737 -9.936 8.324 8 HG3 MET 1 3HG MET 1 10.693 -9.966 10.087 9 HE1 MET 1 3HE MET 1 9.200 -7.793 10.211 10 HE2 MET 1 1HE MET 1 9.147 -7.747 8.447 11 HE3 MET 1 2HE MET 1 9.577 -6.298 9.357 12 H ASP 2 H ASP 2 11.006 -13.839 9.606 13 HA ASP 2 HA ASP 2 10.297 -13.202 12.394 14 HB2 ASP 2 2HB ASP 2 7.939 -14.138 11.443 15 HB3 ASP 2 3HB ASP 2 8.362 -12.429 11.476 16 H ARG 3 H ARG 3 11.350 -14.865 13.368 17 HA ARG 3 HA ARG 3 11.725 -17.407 12.209 18 HB2 ARG 3 2HB ARG 3 12.563 -18.072 14.475 19 HB3 ARG 3 3HB ARG 3 13.330 -16.656 13.771 20 HG2 ARG 3 2HG ARG 3 11.714 -15.273 15.174 21 HG3 ARG 3 3HG ARG 3 11.349 -16.775 16.032 22 HD2 ARG 3 2HD ARG 3 13.087 -15.428 17.161 23 HD3 ARG 3 3HD ARG 3 13.678 -17.015 16.665 24 HE ARG 3 HE ARG 3 14.315 -15.346 14.587 25 HH11 ARG 3 1HH1 ARG 3 15.040 -15.404 17.959 26 HH12 ARG 3 2HH1 ARG 3 16.553 -14.600 17.751 27 HH21 ARG 3 1HH2 ARG 3 16.246 -14.351 14.326 28 HH22 ARG 3 2HH2 ARG 3 17.236 -14.008 15.704 29 H LYS 4 H LYS 4 9.302 -16.344 14.611 30 HA LYS 4 HA LYS 4 8.280 -18.970 15.024 31 HB2 LYS 4 2HB LYS 4 6.296 -17.848 16.026 32 HB3 LYS 4 3HB LYS 4 7.828 -17.318 16.698 33 HG2 LYS 4 2HG LYS 4 7.730 -15.279 15.374 34 HG3 LYS 4 3HG LYS 4 6.223 -15.818 14.640 35 HD2 LYS 4 2HD LYS 4 5.050 -15.655 16.706 36 HD3 LYS 4 3HD LYS 4 6.548 -15.467 17.618 37 HE2 LYS 4 2HE LYS 4 5.515 -13.481 15.591 38 HE3 LYS 4 3HE LYS 4 5.275 -13.348 17.332 39 HZ1 LYS 4 3HZ LYS 4 7.154 -12.022 16.551 40 HZ2 LYS 4 1HZ LYS 4 7.919 -13.418 15.980 41 HZ3 LYS 4 2HZ LYS 4 7.649 -13.217 17.637 42 H LEU 5 H LEU 5 7.498 -16.447 12.677 43 HA LEU 5 HA LEU 5 5.143 -17.709 11.681 44 HB2 LEU 5 2HB LEU 5 6.935 -15.556 10.592 45 HB3 LEU 5 3HB LEU 5 5.641 -16.219 9.619 46 HG LEU 5 HG LEU 5 4.870 -14.177 10.604 47 HD11 LEU 5 1HD1 LEU 5 3.634 -16.509 12.071 48 HD12 LEU 5 2HD1 LEU 5 3.230 -15.977 10.438 49 HD13 LEU 5 3HD1 LEU 5 2.897 -14.926 11.811 50 HD21 LEU 5 3HD2 LEU 5 5.588 -15.342 13.296 51 HD22 LEU 5 1HD2 LEU 5 4.761 -13.812 13.017 52 HD23 LEU 5 2HD2 LEU 5 6.422 -14.024 12.476 53 H LEU 6 H LEU 6 8.538 -17.702 10.528 54 HA LEU 6 HA LEU 6 7.995 -19.459 8.350 55 HB2 LEU 6 2HB LEU 6 10.431 -19.673 8.139 56 HB3 LEU 6 3HB LEU 6 9.909 -18.008 8.254 57 HG LEU 6 HG LEU 6 10.542 -18.220 10.771 58 HD11 LEU 6 1HD1 LEU 6 12.370 -19.779 11.233 59 HD12 LEU 6 2HD1 LEU 6 12.171 -20.493 9.631 60 HD13 LEU 6 3HD1 LEU 6 10.882 -20.633 10.828 61 HD21 LEU 6 3HD2 LEU 6 11.700 -16.783 9.182 62 HD22 LEU 6 1HD2 LEU 6 12.662 -18.152 8.621 63 HD23 LEU 6 2HD2 LEU 6 12.846 -17.559 10.274 64 H HIS 7 H HIS 7 8.522 -19.980 11.707 65 HA HIS 7 HA HIS 7 9.101 -22.784 11.560 66 HB2 HIS 7 2HB HIS 7 9.662 -21.519 13.565 67 HB3 HIS 7 3HB HIS 7 7.975 -21.084 13.803 68 HD1 HIS 7 HD1 HIS 7 10.397 -23.880 14.284 69 HD2 HIS 7 HD2 HIS 7 6.361 -23.118 14.899 70 HE1 HIS 7 HE1 HIS 7 9.581 -25.732 15.761 71 HE2 HIS 7 HE2 HIS 7 7.098 -25.370 15.927 72 H LEU 8 H LEU 8 6.172 -20.843 11.782 73 HA LEU 8 HA LEU 8 4.418 -23.139 11.991 74 HB2 LEU 8 2HB LEU 8 3.842 -20.203 11.534 75 HB3 LEU 8 3HB LEU 8 2.609 -21.429 11.773 76 HG LEU 8 HG LEU 8 4.707 -20.616 13.799 77 HD11 LEU 8 1HD1 LEU 8 2.839 -19.665 15.053 78 HD12 LEU 8 2HD1 LEU 8 1.733 -20.091 13.746 79 HD13 LEU 8 3HD1 LEU 8 3.003 -18.895 13.474 80 HD21 LEU 8 3HD2 LEU 8 2.418 -22.579 14.029 81 HD22 LEU 8 1HD2 LEU 8 3.457 -22.053 15.356 82 HD23 LEU 8 2HD2 LEU 8 4.140 -22.973 14.016 83 H LEU 9 H LEU 9 2.345 -22.590 10.317 84 HA LEU 9 HA LEU 9 3.479 -22.704 7.604 85 HB2 LEU 9 2HB LEU 9 2.175 -24.585 6.993 86 HB3 LEU 9 3HB LEU 9 2.996 -25.002 8.483 87 HG LEU 9 HG LEU 9 0.089 -24.170 8.297 88 HD11 LEU 9 1HD1 LEU 9 1.279 -26.923 8.645 89 HD12 LEU 9 2HD1 LEU 9 0.476 -26.318 7.199 90 HD13 LEU 9 3HD1 LEU 9 -0.438 -26.517 8.690 91 HD21 LEU 9 3HD2 LEU 9 0.931 -23.633 10.468 92 HD22 LEU 9 1HD2 LEU 9 1.754 -25.188 10.602 93 HD23 LEU 9 2HD2 LEU 9 -0.008 -25.116 10.613 94 H CYS 10 H CYS 10 1.264 -22.962 6.080 95 HA CYS 10 HA CYS 10 -0.645 -20.909 6.945 96 HB2 CYS 10 2HB CYS 10 0.890 -20.774 4.334 97 HB3 CYS 10 3HB CYS 10 -0.446 -19.716 4.779 98 HG CYS 10 HG CYS 10 1.601 -19.465 7.238 99 H SER 11 H SER 11 -2.677 -21.314 6.355 100 HA SER 11 HA SER 11 -3.417 -23.712 5.006 101 HB2 SER 11 2HB SER 11 -5.742 -22.744 5.167 102 HB3 SER 11 3HB SER 11 -4.879 -22.797 6.702 103 HG SER 11 HG SER 11 -5.136 -20.522 5.012 104 HA PRO 12 HA PRO 12 -3.754 -22.792 0.655 105 HB2 PRO 12 2HB PRO 12 -6.719 -23.102 0.999 106 HB3 PRO 12 3HB PRO 12 -5.653 -23.789 -0.235 107 HG2 PRO 12 2HG PRO 12 -6.493 -25.289 1.787 108 HG3 PRO 12 3HG PRO 12 -4.824 -25.422 1.205 109 HD2 PRO 12 2HD PRO 12 -5.872 -24.132 3.682 110 HD3 PRO 12 3HD PRO 12 -4.322 -24.954 3.404 111 H ASP 13 H ASP 13 -3.798 -20.928 -0.465 112 HA ASP 13 HA ASP 13 -4.344 -18.485 0.708 113 HB2 ASP 13 2HB ASP 13 -4.168 -19.166 -2.236 114 HB3 ASP 13 3HB ASP 13 -4.066 -17.537 -1.570 115 H THR 14 H THR 14 -6.598 -20.548 -0.960 116 HA THR 14 HA THR 14 -8.556 -18.673 -1.712 117 HB THR 14 HB THR 14 -8.639 -20.994 -2.486 118 HG1 THR 14 HG1 THR 14 -10.613 -19.935 -2.558 119 HG21 THR 14 3HG2 THR 14 -9.434 -22.792 -1.011 120 HG22 THR 14 1HG2 THR 14 -9.407 -21.678 0.359 121 HG23 THR 14 2HG2 THR 14 -7.900 -22.125 -0.446 122 H ARG 15 H ARG 15 -7.595 -19.675 1.403 123 HA ARG 15 HA ARG 15 -9.987 -19.364 2.871 124 HB2 ARG 15 2HB ARG 15 -7.984 -20.500 3.738 125 HB3 ARG 15 3HB ARG 15 -7.108 -18.979 3.734 126 HG2 ARG 15 2HG ARG 15 -7.785 -19.524 5.979 127 HG3 ARG 15 3HG ARG 15 -8.670 -18.100 5.432 128 HD2 ARG 15 2HD ARG 15 -9.854 -20.851 5.185 129 HD3 ARG 15 3HD ARG 15 -9.951 -19.956 6.699 130 HE ARG 15 HE ARG 15 -10.983 -18.152 5.131 131 HH11 ARG 15 1HH1 ARG 15 -11.441 -21.555 4.815 132 HH12 ARG 15 2HH1 ARG 15 -13.078 -21.389 4.294 133 HH21 ARG 15 1HH2 ARG 15 -13.077 -17.958 4.446 134 HH22 ARG 15 2HH2 ARG 15 -13.992 -19.379 4.080 135 H GLN 16 H GLN 16 -7.430 -17.059 1.994 136 HA GLN 16 HA GLN 16 -9.233 -14.828 2.558 137 HB2 GLN 16 2HB GLN 16 -6.571 -15.234 3.918 138 HB3 GLN 16 3HB GLN 16 -7.274 -13.634 3.732 139 HG2 GLN 16 2HG GLN 16 -8.624 -15.938 5.137 140 HG3 GLN 16 3HG GLN 16 -7.699 -14.672 5.944 141 HE21 GLN 16 1HE2 GLN 16 -10.536 -15.395 6.192 142 HE22 GLN 16 2HE2 GLN 16 -11.410 -13.952 5.837 143 HA PRO 17 HA PRO 17 -7.282 -13.787 -1.451 144 HB2 PRO 17 2HB PRO 17 -9.126 -11.473 -1.049 145 HB3 PRO 17 3HB PRO 17 -8.904 -12.500 -2.470 146 HG2 PRO 17 2HG PRO 17 -11.054 -12.768 -0.923 147 HG3 PRO 17 3HG PRO 17 -10.251 -14.190 -1.622 148 HD2 PRO 17 2HD PRO 17 -10.143 -13.134 1.180 149 HD3 PRO 17 3HD PRO 17 -10.184 -14.815 0.609 150 H LEU 18 H LEU 18 -7.995 -11.430 1.129 151 HA LEU 18 HA LEU 18 -5.493 -10.011 0.550 152 HB2 LEU 18 2HB LEU 18 -7.880 -9.331 2.268 153 HB3 LEU 18 3HB LEU 18 -6.393 -8.404 2.320 154 HG LEU 18 HG LEU 18 -8.093 -8.786 -0.156 155 HD11 LEU 18 1HD1 LEU 18 -9.244 -7.420 1.512 156 HD12 LEU 18 2HD1 LEU 18 -8.726 -6.446 0.138 157 HD13 LEU 18 3HD1 LEU 18 -7.824 -6.383 1.651 158 HD21 LEU 18 3HD2 LEU 18 -5.718 -8.468 -0.639 159 HD22 LEU 18 1HD2 LEU 18 -5.701 -7.018 0.365 160 HD23 LEU 18 2HD2 LEU 18 -6.658 -7.053 -1.117 161 H SER 19 H SER 19 -3.720 -10.416 1.681 162 HA SER 19 HA SER 19 -3.959 -11.557 4.399 163 HB2 SER 19 2HB SER 19 -1.985 -12.373 2.249 164 HB3 SER 19 3HB SER 19 -1.953 -12.947 3.916 165 HG SER 19 HG SER 19 -4.411 -13.297 2.868 166 H LEU 20 H LEU 20 -1.679 -11.470 5.504 167 HA LEU 20 HA LEU 20 -0.944 -8.798 5.877 168 HB2 LEU 20 2HB LEU 20 -0.574 -10.911 7.358 169 HB3 LEU 20 3HB LEU 20 0.918 -11.095 6.462 170 HG LEU 20 HG LEU 20 1.213 -9.992 8.662 171 HD11 LEU 20 1HD1 LEU 20 2.829 -9.572 6.895 172 HD12 LEU 20 2HD1 LEU 20 2.617 -8.151 7.915 173 HD13 LEU 20 3HD1 LEU 20 1.865 -8.210 6.320 174 HD21 LEU 20 3HD2 LEU 20 -0.907 -8.813 8.788 175 HD22 LEU 20 1HD2 LEU 20 -0.425 -7.764 7.451 176 HD23 LEU 20 2HD2 LEU 20 0.444 -7.694 8.986 177 H LEU 21 H LEU 21 0.358 -7.461 4.767 178 HA LEU 21 HA LEU 21 1.465 -8.140 2.274 179 HB2 LEU 21 2HB LEU 21 0.755 -5.882 2.812 180 HB3 LEU 21 3HB LEU 21 1.982 -5.756 4.057 181 HG LEU 21 HG LEU 21 3.748 -5.806 2.360 182 HD11 LEU 21 1HD1 LEU 21 1.499 -5.927 0.347 183 HD12 LEU 21 2HD1 LEU 21 2.651 -7.216 0.693 184 HD13 LEU 21 3HD1 LEU 21 3.210 -5.705 -0.022 185 HD21 LEU 21 3HD2 LEU 21 3.329 -3.632 1.356 186 HD22 LEU 21 1HD2 LEU 21 2.783 -3.653 3.031 187 HD23 LEU 21 2HD2 LEU 21 1.610 -3.772 1.719 188 H GLU 22 H GLU 22 3.386 -8.907 1.655 189 HA GLU 22 HA GLU 22 5.214 -10.191 3.216 190 HB2 GLU 22 2HB GLU 22 5.217 -10.455 0.819 191 HB3 GLU 22 3HB GLU 22 5.653 -8.768 0.581 192 HG2 GLU 22 2HG GLU 22 7.560 -10.206 0.180 193 HG3 GLU 22 3HG GLU 22 7.844 -9.188 1.588 194 H SER 23 H SER 23 7.047 -9.708 4.357 195 HA SER 23 HA SER 23 7.271 -7.260 5.646 196 HB2 SER 23 2HB SER 23 9.453 -8.067 6.471 197 HB3 SER 23 3HB SER 23 8.235 -9.341 6.533 198 HG SER 23 HG SER 23 9.132 -10.271 4.713 199 H LYS 24 H LYS 24 9.223 -8.461 2.906 200 HA LYS 24 HA LYS 24 10.829 -6.102 2.744 201 HB2 LYS 24 2HB LYS 24 10.380 -8.258 0.664 202 HB3 LYS 24 3HB LYS 24 11.656 -7.048 0.626 203 HG2 LYS 24 2HG LYS 24 11.314 -9.241 2.670 204 HG3 LYS 24 3HG LYS 24 12.542 -9.159 1.404 205 HD2 LYS 24 2HD LYS 24 12.251 -7.192 3.688 206 HD3 LYS 24 3HD LYS 24 13.412 -8.517 3.632 207 HE2 LYS 24 2HE LYS 24 14.487 -7.525 1.684 208 HE3 LYS 24 3HE LYS 24 13.288 -6.233 1.656 209 HZ1 LYS 24 3HZ LYS 24 15.215 -6.741 3.859 210 HZ2 LYS 24 1HZ LYS 24 14.078 -5.492 3.809 211 HZ3 LYS 24 2HZ LYS 24 15.350 -5.520 2.698 212 H GLY 25 H GLY 25 7.773 -7.049 1.340 213 HA2 GLY 25 2HA GLY 25 7.652 -4.938 -0.601 214 HA3 GLY 25 3HA GLY 25 6.299 -5.903 -0.026 215 H LEU 26 H LEU 26 6.442 -5.354 2.689 216 HA LEU 26 HA LEU 26 4.914 -3.071 2.987 217 HB2 LEU 26 2HB LEU 26 5.011 -4.914 4.605 218 HB3 LEU 26 3HB LEU 26 6.651 -4.465 5.030 219 HG LEU 26 HG LEU 26 5.812 -2.317 5.941 220 HD11 LEU 26 1HD1 LEU 26 3.826 -2.030 4.581 221 HD12 LEU 26 2HD1 LEU 26 3.392 -2.022 6.290 222 HD13 LEU 26 3HD1 LEU 26 3.085 -3.457 5.311 223 HD21 LEU 26 3HD2 LEU 26 6.132 -4.220 7.423 224 HD22 LEU 26 1HD2 LEU 26 4.501 -4.796 7.072 225 HD23 LEU 26 2HD2 LEU 26 4.734 -3.273 7.934 226 H GLU 27 H GLU 27 8.379 -3.475 3.777 227 HA GLU 27 HA GLU 27 8.850 -0.777 4.432 228 HB2 GLU 27 2HB GLU 27 11.232 -1.278 4.131 229 HB3 GLU 27 3HB GLU 27 10.421 -2.528 5.062 230 HG2 GLU 27 2HG GLU 27 10.486 -4.056 3.283 231 HG3 GLU 27 3HG GLU 27 10.872 -2.798 2.107 232 H ALA 28 H ALA 28 8.669 -2.394 1.319 233 HA ALA 28 HA ALA 28 9.920 -0.329 -0.209 234 HB1 ALA 28 3HB ALA 28 7.949 -2.452 -1.073 235 HB2 ALA 28 1HB ALA 28 9.707 -2.596 -1.081 236 HB3 ALA 28 2HB ALA 28 8.912 -1.445 -2.156 237 H LEU 29 H LEU 29 6.528 -1.111 0.528 238 HA LEU 29 HA LEU 29 5.348 1.093 -0.757 239 HB2 LEU 29 2HB LEU 29 4.494 -0.686 1.507 240 HB3 LEU 29 3HB LEU 29 3.546 0.736 1.125 241 HG LEU 29 HG LEU 29 2.592 -1.252 0.076 242 HD11 LEU 29 1HD1 LEU 29 2.431 -0.427 -2.221 243 HD12 LEU 29 2HD1 LEU 29 3.811 0.635 -1.941 244 HD13 LEU 29 3HD1 LEU 29 2.310 0.887 -1.050 245 HD21 LEU 29 3HD2 LEU 29 5.221 -1.478 -1.400 246 HD22 LEU 29 1HD2 LEU 29 3.772 -2.434 -1.722 247 HD23 LEU 29 2HD2 LEU 29 4.610 -2.594 -0.177 248 H ASN 30 H ASN 30 6.456 0.736 2.624 249 HA ASN 30 HA ASN 30 5.833 3.309 3.520 250 HB2 ASN 30 2HB ASN 30 7.913 1.306 4.355 251 HB3 ASN 30 3HB ASN 30 7.906 2.912 5.075 252 HD21 ASN 30 1HD2 ASN 30 6.196 -0.101 4.815 253 HD22 ASN 30 2HD2 ASN 30 5.095 0.200 6.110 254 H LYS 31 H LYS 31 8.860 2.179 1.973 255 HA LYS 31 HA LYS 31 10.163 4.679 2.000 256 HB2 LYS 31 2HB LYS 31 10.488 2.209 0.309 257 HB3 LYS 31 3HB LYS 31 11.431 3.657 -0.030 258 HG2 LYS 31 2HG LYS 31 12.239 3.586 2.342 259 HG3 LYS 31 3HG LYS 31 11.436 2.025 2.509 260 HD2 LYS 31 2HD LYS 31 13.505 2.588 0.381 261 HD3 LYS 31 3HD LYS 31 13.924 1.972 1.978 262 HE2 LYS 31 2HE LYS 31 12.033 0.617 0.052 263 HE3 LYS 31 3HE LYS 31 13.734 0.199 0.253 264 HZ1 LYS 31 3HZ LYS 31 12.468 -1.297 1.565 265 HZ2 LYS 31 1HZ LYS 31 11.578 -0.043 2.274 266 HZ3 LYS 31 2HZ LYS 31 13.217 -0.228 2.634 267 H ALA 32 H ALA 32 7.917 3.253 -0.341 268 HA ALA 32 HA ALA 32 8.049 5.320 -2.271 269 HB1 ALA 32 3HB ALA 32 5.900 4.452 -3.074 270 HB2 ALA 32 1HB ALA 32 5.750 3.478 -1.612 271 HB3 ALA 32 2HB ALA 32 7.047 3.152 -2.761 272 H ILE 33 H ILE 33 6.093 4.903 0.642 273 HA ILE 33 HA ILE 33 4.494 7.215 0.427 274 HB ILE 33 HB ILE 33 5.483 5.726 2.873 275 HG12 ILE 33 2HG1 ILE 33 2.782 5.720 1.498 276 HG13 ILE 33 3HG1 ILE 33 4.006 4.466 1.321 277 HG21 ILE 33 1HG2 ILE 33 3.735 6.890 4.143 278 HG22 ILE 33 2HG2 ILE 33 3.367 7.874 2.726 279 HG23 ILE 33 3HG2 ILE 33 4.941 8.010 3.511 280 HD11 ILE 33 3HD1 ILE 33 3.816 3.953 3.702 281 HD12 ILE 33 1HD1 ILE 33 2.272 3.789 2.866 282 HD13 ILE 33 2HD1 ILE 33 2.585 5.207 3.869 283 H VAL 34 H VAL 34 7.591 6.685 2.098 284 HA VAL 34 HA VAL 34 8.057 9.316 2.959 285 HB VAL 34 HB VAL 34 10.068 7.175 2.200 286 HG11 VAL 34 1HG1 VAL 34 11.661 8.382 3.607 287 HG12 VAL 34 2HG1 VAL 34 10.464 9.642 3.902 288 HG13 VAL 34 3HG1 VAL 34 11.107 9.400 2.278 289 HG21 VAL 34 3HG2 VAL 34 8.882 7.896 4.886 290 HG22 VAL 34 1HG2 VAL 34 10.131 6.682 4.601 291 HG23 VAL 34 2HG2 VAL 34 8.511 6.450 3.943 292 H SER 35 H SER 35 8.613 7.749 -0.133 293 HA SER 35 HA SER 35 10.084 9.933 -1.300 294 HB2 SER 35 2HB SER 35 10.331 7.604 -2.106 295 HB3 SER 35 3HB SER 35 8.660 7.626 -2.661 296 HG SER 35 HG SER 35 9.244 9.338 -4.089 297 H GLY 36 H GLY 36 6.764 9.316 -0.728 298 HA2 GLY 36 2HA GLY 36 4.903 10.599 -1.159 299 HA3 GLY 36 3HA GLY 36 5.964 11.809 -1.860 300 H THR 37 H THR 37 5.355 8.430 -2.835 301 HA THR 37 HA THR 37 4.195 9.432 -5.366 302 HB THR 37 HB THR 37 6.515 8.747 -5.798 303 HG1 THR 37 HG1 THR 37 4.597 6.915 -6.876 304 HG21 THR 37 3HG2 THR 37 5.640 6.028 -4.796 305 HG22 THR 37 1HG2 THR 37 6.816 7.096 -4.028 306 HG23 THR 37 2HG2 THR 37 7.173 6.372 -5.597 307 H VAL 38 H VAL 38 3.168 8.098 -2.767 308 HA VAL 38 HA VAL 38 1.876 5.716 -3.893 309 HB VAL 38 HB VAL 38 1.802 6.810 -1.068 310 HG11 VAL 38 1HG1 VAL 38 0.699 4.220 -2.177 311 HG12 VAL 38 2HG1 VAL 38 -0.250 5.589 -1.593 312 HG13 VAL 38 3HG1 VAL 38 0.749 4.667 -0.473 313 HG21 VAL 38 3HG2 VAL 38 3.216 4.863 -0.534 314 HG22 VAL 38 1HG2 VAL 38 3.998 5.960 -1.673 315 HG23 VAL 38 2HG2 VAL 38 3.283 4.455 -2.251 316 H GLN 39 H GLN 39 0.239 6.361 -5.215 317 HA GLN 39 HA GLN 39 -1.628 8.422 -4.380 318 HB2 GLN 39 2HB GLN 39 -1.591 6.666 -6.848 319 HB3 GLN 39 3HB GLN 39 -2.711 7.993 -6.567 320 HG2 GLN 39 2HG GLN 39 -0.872 9.579 -6.569 321 HG3 GLN 39 3HG GLN 39 0.286 8.264 -6.771 322 HE21 GLN 39 1HE2 GLN 39 0.424 7.221 -8.761 323 HE22 GLN 39 2HE2 GLN 39 -0.228 7.911 -10.205 324 H ARG 40 H ARG 40 -3.346 8.015 -3.178 325 HA ARG 40 HA ARG 40 -4.411 5.448 -2.589 326 HB2 ARG 40 2HB ARG 40 -5.649 8.205 -2.300 327 HB3 ARG 40 3HB ARG 40 -6.279 6.737 -1.562 328 HG2 ARG 40 2HG ARG 40 -3.453 7.377 -0.952 329 HG3 ARG 40 3HG ARG 40 -4.656 8.489 -0.300 330 HD2 ARG 40 2HD ARG 40 -4.739 5.492 0.080 331 HD3 ARG 40 3HD ARG 40 -4.026 6.618 1.237 332 HE ARG 40 HE ARG 40 -6.586 7.529 0.762 333 HH11 ARG 40 1HH1 ARG 40 -5.161 4.670 2.068 334 HH12 ARG 40 2HH1 ARG 40 -6.524 4.339 3.081 335 HH21 ARG 40 1HH2 ARG 40 -8.295 7.092 2.037 336 HH22 ARG 40 2HH2 ARG 40 -8.292 5.691 3.050 337 H ALA 41 H ALA 41 -6.890 5.039 -2.999 338 HA ALA 41 HA ALA 41 -7.394 4.623 -5.695 339 HB1 ALA 41 3HB ALA 41 -9.707 4.197 -5.077 340 HB2 ALA 41 1HB ALA 41 -9.469 5.016 -3.533 341 HB3 ALA 41 2HB ALA 41 -8.615 3.511 -3.873 342 H ASP 42 H ASP 42 -8.203 7.434 -3.721 343 HA ASP 42 HA ASP 42 -9.727 8.829 -5.675 344 HB2 ASP 42 2HB ASP 42 -8.142 9.994 -3.373 345 HB3 ASP 42 3HB ASP 42 -9.520 10.729 -4.190 346 H GLY 43 H GLY 43 -6.305 8.487 -5.130 347 HA2 GLY 43 2HA GLY 43 -4.730 9.180 -6.857 348 HA3 GLY 43 3HA GLY 43 -5.733 10.596 -7.130 349 H SER 44 H SER 44 -6.049 10.828 -4.121 350 HA SER 44 HA SER 44 -4.070 12.703 -3.526 351 HB2 SER 44 2HB SER 44 -5.636 11.027 -1.534 352 HB3 SER 44 3HB SER 44 -4.849 12.573 -1.209 353 HG SER 44 HG SER 44 -7.296 12.258 -1.947 354 H ILE 45 H ILE 45 -2.098 12.633 -2.499 355 HA ILE 45 HA ILE 45 -0.698 10.124 -2.491 356 HB ILE 45 HB ILE 45 0.198 12.866 -1.570 357 HG12 ILE 45 2HG1 ILE 45 -0.317 12.743 -3.974 358 HG13 ILE 45 3HG1 ILE 45 1.415 12.933 -3.709 359 HG21 ILE 45 1HG2 ILE 45 1.526 11.171 -0.452 360 HG22 ILE 45 2HG2 ILE 45 2.495 11.945 -1.706 361 HG23 ILE 45 3HG2 ILE 45 1.813 10.343 -1.984 362 HD11 ILE 45 3HD1 ILE 45 0.967 11.356 -5.486 363 HD12 ILE 45 1HD1 ILE 45 -0.003 10.365 -4.395 364 HD13 ILE 45 2HD1 ILE 45 1.734 10.545 -4.120 365 H GLN 46 H GLN 46 -0.511 8.725 -0.865 366 HA GLN 46 HA GLN 46 -1.484 9.367 1.782 367 HB2 GLN 46 2HB GLN 46 -1.961 7.168 0.808 368 HB3 GLN 46 3HB GLN 46 -0.238 6.827 0.686 369 HG2 GLN 46 2HG GLN 46 -0.027 6.823 3.094 370 HG3 GLN 46 3HG GLN 46 -1.720 7.289 3.273 371 HE21 GLN 46 1HE2 GLN 46 0.468 4.718 2.473 372 HE22 GLN 46 2HE2 GLN 46 -0.689 3.442 2.543 373 H ASN 47 H ASN 47 -0.193 10.557 3.055 374 HA ASN 47 HA ASN 47 2.709 10.370 2.847 375 HB2 ASN 47 2HB ASN 47 1.088 12.171 4.660 376 HB3 ASN 47 3HB ASN 47 2.767 12.374 4.169 377 HD21 ASN 47 1HD2 ASN 47 -0.548 12.657 3.201 378 HD22 ASN 47 2HD2 ASN 47 -0.257 13.580 1.771 379 H GLN 48 H GLN 48 0.239 9.080 4.843 380 HA GLN 48 HA GLN 48 1.842 8.777 7.224 381 HB2 GLN 48 2HB GLN 48 -0.805 7.531 6.454 382 HB3 GLN 48 3HB GLN 48 -0.049 7.381 8.035 383 HG2 GLN 48 2HG GLN 48 -0.188 9.822 8.318 384 HG3 GLN 48 3HG GLN 48 -0.986 9.944 6.751 385 HE21 GLN 48 1HE2 GLN 48 -1.943 10.693 9.407 386 HE22 GLN 48 2HE2 GLN 48 -3.402 9.803 9.661 387 H SER 49 H SER 49 3.460 7.358 7.383 388 HA SER 49 HA SER 49 3.556 4.991 5.702 389 HB2 SER 49 2HB SER 49 5.811 4.654 6.750 390 HB3 SER 49 3HB SER 49 5.626 6.216 5.956 391 HG SER 49 HG SER 49 6.069 7.109 7.788 392 H LEU 50 H LEU 50 2.163 3.454 6.366 393 HA LEU 50 HA LEU 50 1.651 2.902 9.142 394 HB2 LEU 50 2HB LEU 50 0.229 1.017 8.150 395 HB3 LEU 50 3HB LEU 50 -0.240 2.671 7.815 396 HG LEU 50 HG LEU 50 0.914 2.440 5.567 397 HD11 LEU 50 1HD1 LEU 50 1.271 0.179 4.702 398 HD12 LEU 50 2HD1 LEU 50 0.929 -0.488 6.299 399 HD13 LEU 50 3HD1 LEU 50 2.346 0.533 6.054 400 HD21 LEU 50 3HD2 LEU 50 -1.517 2.324 5.823 401 HD22 LEU 50 1HD2 LEU 50 -1.406 0.588 6.114 402 HD23 LEU 50 2HD2 LEU 50 -0.951 1.251 4.546 403 H HIS 51 H HIS 51 1.866 0.834 10.178 404 HA HIS 51 HA HIS 51 4.395 -0.487 9.486 405 HB2 HIS 51 2HB HIS 51 2.734 -0.670 12.014 406 HB3 HIS 51 3HB HIS 51 4.328 -1.376 11.780 407 HD1 HIS 51 HD1 HIS 51 2.617 1.733 12.726 408 HD2 HIS 51 HD2 HIS 51 6.447 0.578 11.601 409 HE1 HIS 51 HE1 HIS 51 4.103 3.653 13.343 410 HE2 HIS 51 HE2 HIS 51 6.383 3.004 12.503 411 H GLU 52 H GLU 52 1.127 -1.039 8.987 412 HA GLU 52 HA GLU 52 1.613 -3.832 8.345 413 HB2 GLU 52 2HB GLU 52 0.898 -3.893 10.711 414 HB3 GLU 52 3HB GLU 52 -0.585 -3.049 10.282 415 HG2 GLU 52 2HG GLU 52 -1.318 -4.930 8.952 416 HG3 GLU 52 3HG GLU 52 0.217 -5.753 9.216 417 H ALA 53 H ALA 53 0.404 -4.543 6.632 418 HA ALA 53 HA ALA 53 -1.938 -3.066 5.736 419 HB1 ALA 53 3HB ALA 53 -1.001 -2.599 3.505 420 HB2 ALA 53 1HB ALA 53 0.571 -3.172 4.058 421 HB3 ALA 53 2HB ALA 53 -0.152 -1.736 4.785 422 H LEU 54 H LEU 54 -2.907 -4.042 3.753 423 HA LEU 54 HA LEU 54 -2.625 -6.968 3.804 424 HB2 LEU 54 2HB LEU 54 -4.821 -5.172 2.771 425 HB3 LEU 54 3HB LEU 54 -4.813 -6.910 2.549 426 HG LEU 54 HG LEU 54 -4.861 -5.518 5.234 427 HD11 LEU 54 1HD1 LEU 54 -6.932 -5.150 3.981 428 HD12 LEU 54 2HD1 LEU 54 -7.193 -6.222 5.355 429 HD13 LEU 54 3HD1 LEU 54 -7.089 -6.888 3.722 430 HD21 LEU 54 3HD2 LEU 54 -5.343 -7.735 6.131 431 HD22 LEU 54 1HD2 LEU 54 -3.796 -7.729 5.288 432 HD23 LEU 54 2HD2 LEU 54 -5.216 -8.433 4.515 433 H ILE 55 H ILE 55 -2.495 -8.187 1.907 434 HA ILE 55 HA ILE 55 -2.048 -6.782 -0.638 435 HB ILE 55 HB ILE 55 0.174 -7.293 0.305 436 HG12 ILE 55 2HG1 ILE 55 1.068 -8.615 -1.615 437 HG13 ILE 55 3HG1 ILE 55 -0.584 -9.007 -2.080 438 HG21 ILE 55 1HG2 ILE 55 0.923 -9.602 0.616 439 HG22 ILE 55 2HG2 ILE 55 -0.705 -10.183 0.253 440 HG23 ILE 55 3HG2 ILE 55 -0.417 -9.205 1.694 441 HD11 ILE 55 3HD1 ILE 55 0.596 -6.237 -1.968 442 HD12 ILE 55 1HD1 ILE 55 -1.038 -6.657 -2.485 443 HD13 ILE 55 2HD1 ILE 55 0.350 -7.205 -3.424 444 H THR 56 H THR 56 -3.091 -7.732 -2.327 445 HA THR 56 HA THR 56 -4.809 -9.960 -1.946 446 HB THR 56 HB THR 56 -5.228 -9.921 -4.347 447 HG1 THR 56 HG1 THR 56 -3.974 -8.830 -5.762 448 HG21 THR 56 3HG2 THR 56 -6.339 -8.217 -3.001 449 HG22 THR 56 1HG2 THR 56 -5.960 -7.588 -4.604 450 HG23 THR 56 2HG2 THR 56 -4.968 -7.130 -3.221 451 H ARG 57 H ARG 57 -4.699 -12.065 -2.982 452 HA ARG 57 HA ARG 57 -2.194 -13.343 -2.669 453 HB2 ARG 57 2HB ARG 57 -4.660 -14.333 -4.115 454 HB3 ARG 57 3HB ARG 57 -3.303 -15.333 -3.618 455 HG2 ARG 57 2HG ARG 57 -5.094 -13.801 -1.730 456 HG3 ARG 57 3HG ARG 57 -5.255 -15.513 -2.113 457 HD2 ARG 57 2HD ARG 57 -4.104 -15.303 -0.016 458 HD3 ARG 57 3HD ARG 57 -2.957 -15.873 -1.224 459 HE ARG 57 HE ARG 57 -3.065 -13.024 -0.526 460 HH11 ARG 57 1HH1 ARG 57 -1.342 -16.014 -0.635 461 HH12 ARG 57 2HH1 ARG 57 0.174 -15.279 -0.242 462 HH21 ARG 57 1HH2 ARG 57 -1.093 -12.095 -0.039 463 HH22 ARG 57 2HH2 ARG 57 0.315 -13.090 0.094 464 H ASP 58 H ASP 58 -3.549 -11.639 -5.303 465 HA ASP 58 HA ASP 58 -1.782 -12.762 -7.313 466 HB2 ASP 58 2HB ASP 58 -3.559 -10.311 -7.459 467 HB3 ASP 58 3HB ASP 58 -2.823 -11.159 -8.820 468 H ARG 59 H ARG 59 -1.458 -10.517 -4.846 469 HA ARG 59 HA ARG 59 0.085 -8.976 -4.247 470 HB2 ARG 59 2HB ARG 59 1.734 -10.142 -6.503 471 HB3 ARG 59 3HB ARG 59 2.341 -9.121 -5.210 472 HG2 ARG 59 2HG ARG 59 1.645 -10.888 -3.583 473 HG3 ARG 59 3HG ARG 59 1.245 -11.920 -4.960 474 HD2 ARG 59 2HD ARG 59 3.619 -11.601 -5.750 475 HD3 ARG 59 3HD ARG 59 3.953 -10.813 -4.208 476 HE ARG 59 HE ARG 59 3.146 -13.632 -4.526 477 HH11 ARG 59 1HH1 ARG 59 4.787 -11.151 -2.760 478 HH12 ARG 59 2HH1 ARG 59 5.427 -12.265 -1.606 479 HH21 ARG 59 1HH2 ARG 59 4.008 -15.028 -3.044 480 HH22 ARG 59 2HH2 ARG 59 4.975 -14.411 -1.750 481 H LYS 60 H LYS 60 -1.938 -8.133 -6.151 482 HA LYS 60 HA LYS 60 -0.438 -6.107 -7.699 483 HB2 LYS 60 2HB LYS 60 -3.118 -7.360 -8.312 484 HB3 LYS 60 3HB LYS 60 -2.415 -6.020 -9.214 485 HG2 LYS 60 2HG LYS 60 -0.464 -7.472 -9.751 486 HG3 LYS 60 3HG LYS 60 -1.300 -8.816 -8.968 487 HD2 LYS 60 2HD LYS 60 -1.602 -8.889 -11.388 488 HD3 LYS 60 3HD LYS 60 -3.141 -8.602 -10.571 489 HE2 LYS 60 2HE LYS 60 -2.905 -7.168 -12.543 490 HE3 LYS 60 3HE LYS 60 -2.972 -6.213 -11.066 491 HZ1 LYS 60 3HZ LYS 60 -1.271 -5.418 -12.595 492 HZ2 LYS 60 1HZ LYS 60 -0.488 -6.918 -12.534 493 HZ3 LYS 60 2HZ LYS 60 -0.578 -5.959 -11.147 494 H GLN 61 H GLN 61 -2.721 -6.471 -5.157 495 HA GLN 61 HA GLN 61 -3.142 -3.550 -5.194 496 HB2 GLN 61 2HB GLN 61 -5.255 -5.621 -4.553 497 HB3 GLN 61 3HB GLN 61 -5.446 -3.888 -4.328 498 HG2 GLN 61 2HG GLN 61 -5.141 -3.575 -6.764 499 HG3 GLN 61 3HG GLN 61 -5.050 -5.326 -6.950 500 HE21 GLN 61 1HE2 GLN 61 -6.975 -3.436 -8.066 501 HE22 GLN 61 2HE2 GLN 61 -8.527 -3.950 -7.521 502 H VAL 62 H VAL 62 -2.766 -2.540 -3.304 503 HA VAL 62 HA VAL 62 -2.395 -4.197 -0.879 504 HB VAL 62 HB VAL 62 -1.143 -1.514 -1.545 505 HG11 VAL 62 1HG1 VAL 62 -0.677 -3.318 0.835 506 HG12 VAL 62 2HG1 VAL 62 -1.525 -1.775 0.861 507 HG13 VAL 62 3HG1 VAL 62 0.195 -1.827 0.477 508 HG21 VAL 62 3HG2 VAL 62 0.102 -4.267 -1.419 509 HG22 VAL 62 1HG2 VAL 62 0.965 -2.755 -1.696 510 HG23 VAL 62 2HG2 VAL 62 -0.203 -3.333 -2.883 511 H PHE 63 H PHE 63 -3.484 -3.651 0.992 512 HA PHE 63 HA PHE 63 -5.206 -1.244 0.898 513 HB2 PHE 63 2HB PHE 63 -5.873 -4.011 1.892 514 HB3 PHE 63 3HB PHE 63 -6.789 -2.598 2.405 515 HD1 PHE 63 HD2 PHE 63 -5.843 -4.647 -0.534 516 HD2 PHE 63 HD1 PHE 63 -8.408 -1.601 0.986 517 HE1 PHE 63 HE2 PHE 63 -7.229 -4.800 -2.562 518 HE2 PHE 63 HE1 PHE 63 -9.792 -1.752 -1.039 519 HZ PHE 63 HZ PHE 63 -9.204 -3.351 -2.817 520 H ARG 64 H ARG 64 -5.805 -0.334 2.964 521 HA ARG 64 HA ARG 64 -3.463 -0.164 4.672 522 HB2 ARG 64 2HB ARG 64 -4.351 1.914 3.941 523 HB3 ARG 64 3HB ARG 64 -5.985 1.473 4.410 524 HG2 ARG 64 2HG ARG 64 -5.424 1.663 6.748 525 HG3 ARG 64 3HG ARG 64 -3.723 1.931 6.353 526 HD2 ARG 64 2HD ARG 64 -4.182 4.049 5.386 527 HD3 ARG 64 3HD ARG 64 -5.918 3.745 5.368 528 HE ARG 64 HE ARG 64 -5.556 3.710 7.946 529 HH11 ARG 64 1HH1 ARG 64 -3.998 5.807 5.693 530 HH12 ARG 64 2HH1 ARG 64 -3.895 7.112 6.821 531 HH21 ARG 64 1HH2 ARG 64 -5.446 5.404 9.361 532 HH22 ARG 64 2HH2 ARG 64 -4.707 6.889 8.857 533 H ILE 65 H ILE 65 -3.300 -0.781 6.775 534 HA ILE 65 HA ILE 65 -5.744 -1.722 8.158 535 HB ILE 65 HB ILE 65 -2.915 -2.762 8.508 536 HG12 ILE 65 2HG1 ILE 65 -5.415 -4.100 7.425 537 HG13 ILE 65 3HG1 ILE 65 -3.996 -3.636 6.489 538 HG21 ILE 65 1HG2 ILE 65 -4.080 -2.681 10.653 539 HG22 ILE 65 2HG2 ILE 65 -3.885 -4.351 10.118 540 HG23 ILE 65 3HG2 ILE 65 -5.450 -3.553 9.960 541 HD11 ILE 65 3HD1 ILE 65 -4.073 -5.706 8.673 542 HD12 ILE 65 1HD1 ILE 65 -2.650 -5.247 7.739 543 HD13 ILE 65 2HD1 ILE 65 -4.017 -6.018 6.939 544 H GLU 66 H GLU 66 -6.189 -0.817 10.105 545 HA GLU 66 HA GLU 66 -4.073 0.365 11.711 546 HB2 GLU 66 2HB GLU 66 -5.107 2.540 11.930 547 HB3 GLU 66 3HB GLU 66 -4.783 2.220 10.232 548 HG2 GLU 66 2HG GLU 66 -7.090 1.751 9.808 549 HG3 GLU 66 3HG GLU 66 -7.472 1.826 11.528 550 H ASP 67 H ASP 67 -4.751 0.835 13.911 551 HA ASP 67 HA ASP 67 -5.816 0.329 15.862 552 HB2 ASP 67 2HB ASP 67 -7.610 1.700 14.693 553 HB3 ASP 67 3HB ASP 67 -8.349 0.183 14.194 554 H SER 68 H SER 68 -4.830 -1.796 14.030 555 HA SER 68 HA SER 68 -4.658 -4.055 13.905 556 HB2 SER 68 2HB SER 68 -4.793 -3.969 16.389 557 HB3 SER 68 3HB SER 68 -6.545 -4.129 16.280 558 HG SER 68 HG SER 68 -6.326 -6.194 15.932 559 H ILE 69 H ILE 69 -7.048 -2.440 12.804 560 HA ILE 69 HA ILE 69 -8.817 -4.708 12.139 561 HB ILE 69 HB ILE 69 -9.394 -1.738 12.011 562 HG12 ILE 69 2HG1 ILE 69 -9.326 -2.593 14.313 563 HG13 ILE 69 3HG1 ILE 69 -10.969 -2.169 13.848 564 HG21 ILE 69 1HG2 ILE 69 -10.573 -2.915 10.237 565 HG22 ILE 69 2HG2 ILE 69 -11.710 -2.393 11.482 566 HG23 ILE 69 3HG2 ILE 69 -11.203 -4.082 11.403 567 HD11 ILE 69 3HD1 ILE 69 -11.484 -4.524 13.491 568 HD12 ILE 69 1HD1 ILE 69 -10.897 -4.235 15.128 569 HD13 ILE 69 2HD1 ILE 69 -9.830 -4.957 13.925 570 HA PRO 70 HA PRO 70 -7.148 -4.263 7.952 571 HB2 PRO 70 2HB PRO 70 -8.666 -6.217 6.816 572 HB3 PRO 70 3HB PRO 70 -7.232 -6.562 7.788 573 HG2 PRO 70 2HG PRO 70 -10.121 -6.641 8.584 574 HG3 PRO 70 3HG PRO 70 -8.827 -7.797 8.955 575 HD2 PRO 70 2HD PRO 70 -9.664 -5.927 10.736 576 HD3 PRO 70 3HD PRO 70 -7.982 -6.495 10.673 577 H VAL 71 H VAL 71 -7.860 -2.372 7.059 578 HA VAL 71 HA VAL 71 -10.686 -1.774 6.895 579 HB VAL 71 HB VAL 71 -8.423 -0.128 5.745 580 HG11 VAL 71 1HG1 VAL 71 -9.982 1.746 6.067 581 HG12 VAL 71 2HG1 VAL 71 -11.210 0.621 6.649 582 HG13 VAL 71 3HG1 VAL 71 -10.644 0.524 4.981 583 HG21 VAL 71 3HG2 VAL 71 -8.373 1.102 7.858 584 HG22 VAL 71 1HG2 VAL 71 -7.956 -0.594 8.106 585 HG23 VAL 71 2HG2 VAL 71 -9.560 -0.007 8.544 586 H LEU 72 H LEU 72 -11.812 -2.813 5.361 587 HA LEU 72 HA LEU 72 -10.587 -3.492 2.795 588 HB2 LEU 72 2HB LEU 72 -13.322 -4.207 3.862 589 HB3 LEU 72 3HB LEU 72 -12.532 -4.909 2.462 590 HG LEU 72 HG LEU 72 -11.642 -5.209 5.338 591 HD11 LEU 72 1HD1 LEU 72 -13.663 -6.475 4.807 592 HD12 LEU 72 2HD1 LEU 72 -12.284 -7.541 5.074 593 HD13 LEU 72 3HD1 LEU 72 -12.843 -7.220 3.432 594 HD21 LEU 72 3HD2 LEU 72 -9.996 -6.807 4.462 595 HD22 LEU 72 1HD2 LEU 72 -9.716 -5.177 3.848 596 HD23 LEU 72 2HD2 LEU 72 -10.473 -6.391 2.814 597 H LEU 73 H LEU 73 -11.494 -0.682 3.488 598 HA LEU 73 HA LEU 73 -13.827 -0.186 1.873 599 HB2 LEU 73 2HB LEU 73 -11.859 1.769 3.071 600 HB3 LEU 73 3HB LEU 73 -13.415 2.181 2.378 601 HG LEU 73 HG LEU 73 -12.930 0.577 4.894 602 HD11 LEU 73 1HD1 LEU 73 -12.576 2.981 5.144 603 HD12 LEU 73 2HD1 LEU 73 -14.010 2.448 6.018 604 HD13 LEU 73 3HD1 LEU 73 -14.183 3.294 4.481 605 HD21 LEU 73 3HD2 LEU 73 -15.552 1.298 3.567 606 HD22 LEU 73 1HD2 LEU 73 -15.369 0.538 5.150 607 HD23 LEU 73 2HD2 LEU 73 -14.859 -0.319 3.698 608 HA PRO 74 HA PRO 74 -11.997 0.052 -2.144 609 HB2 PRO 74 2HB PRO 74 -13.573 2.099 -3.193 610 HB3 PRO 74 3HB PRO 74 -14.002 0.387 -3.154 611 HG2 PRO 74 2HG PRO 74 -14.797 2.582 -1.282 612 HG3 PRO 74 3HG PRO 74 -15.768 1.237 -1.913 613 HD2 PRO 74 2HD PRO 74 -14.795 1.182 0.576 614 HD3 PRO 74 3HD PRO 74 -14.840 -0.292 -0.415 615 H GLU 75 H GLU 75 -12.471 3.169 -0.466 616 HA GLU 75 HA GLU 75 -10.638 4.567 -2.168 617 HB2 GLU 75 2HB GLU 75 -10.803 6.406 -0.469 618 HB3 GLU 75 3HB GLU 75 -12.327 5.904 -1.177 619 HG2 GLU 75 2HG GLU 75 -11.490 4.693 1.421 620 HG3 GLU 75 3HG GLU 75 -12.088 6.351 1.407 621 H GLU 76 H GLU 76 -10.071 2.341 0.257 622 HA GLU 76 HA GLU 76 -7.559 3.498 1.186 623 HB2 GLU 76 2HB GLU 76 -8.682 0.737 1.715 624 HB3 GLU 76 3HB GLU 76 -7.368 1.519 2.582 625 HG2 GLU 76 2HG GLU 76 -10.251 2.382 2.558 626 HG3 GLU 76 3HG GLU 76 -9.421 1.557 3.873 627 H ALA 77 H ALA 77 -8.537 1.842 -1.528 628 HA ALA 77 HA ALA 77 -6.582 -0.151 -1.860 629 HB1 ALA 77 3HB ALA 77 -8.657 -0.078 -3.153 630 HB2 ALA 77 1HB ALA 77 -7.247 -0.170 -4.209 631 HB3 ALA 77 2HB ALA 77 -8.091 1.362 -3.994 632 H ILE 78 H ILE 78 -4.484 -0.040 -2.265 633 HA ILE 78 HA ILE 78 -3.328 2.400 -3.455 634 HB ILE 78 HB ILE 78 -1.943 0.202 -1.893 635 HG12 ILE 78 2HG1 ILE 78 -3.406 1.552 -0.459 636 HG13 ILE 78 3HG1 ILE 78 -1.717 1.887 -0.104 637 HG21 ILE 78 1HG2 ILE 78 0.001 1.713 -1.889 638 HG22 ILE 78 2HG2 ILE 78 -0.871 2.823 -2.944 639 HG23 ILE 78 3HG2 ILE 78 -0.445 1.211 -3.520 640 HD11 ILE 78 3HD1 ILE 78 -3.551 3.615 -1.756 641 HD12 ILE 78 1HD1 ILE 78 -1.855 3.953 -1.403 642 HD13 ILE 78 2HD1 ILE 78 -3.040 3.918 -0.096 643 H ALA 79 H ALA 79 -2.482 2.311 -5.458 644 HA ALA 79 HA ALA 79 -2.645 -0.182 -6.939 645 HB1 ALA 79 3HB ALA 79 -3.546 1.879 -7.893 646 HB2 ALA 79 1HB ALA 79 -2.285 1.190 -8.913 647 HB3 ALA 79 2HB ALA 79 -1.932 2.589 -7.896 648 H THR 80 H THR 80 -0.969 -1.537 -6.677 649 HA THR 80 HA THR 80 1.690 -0.896 -6.072 650 HB THR 80 HB THR 80 2.290 -3.165 -6.793 651 HG1 THR 80 HG1 THR 80 -0.398 -3.432 -7.723 652 HG21 THR 80 3HG2 THR 80 0.744 -4.434 -5.365 653 HG22 THR 80 1HG2 THR 80 -0.380 -3.076 -5.370 654 HG23 THR 80 2HG2 THR 80 1.204 -2.909 -4.612 655 H ILE 81 H ILE 81 0.029 -0.966 -9.128 656 HA ILE 81 HA ILE 81 2.186 -1.304 -10.878 657 HB ILE 81 HB ILE 81 -0.239 -1.451 -11.477 658 HG12 ILE 81 2HG1 ILE 81 0.023 -0.489 -13.763 659 HG13 ILE 81 3HG1 ILE 81 1.473 0.350 -13.221 660 HG21 ILE 81 1HG2 ILE 81 -0.092 1.566 -11.520 661 HG22 ILE 81 2HG2 ILE 81 -1.027 0.583 -10.392 662 HG23 ILE 81 3HG2 ILE 81 -1.442 0.591 -12.106 663 HD11 ILE 81 3HD1 ILE 81 1.086 -2.635 -13.330 664 HD12 ILE 81 1HD1 ILE 81 2.540 -1.809 -12.767 665 HD13 ILE 81 2HD1 ILE 81 2.035 -1.659 -14.450 666 H GLN 82 H GLN 82 1.236 1.532 -9.071 667 HA GLN 82 HA GLN 82 3.054 3.188 -10.707 668 HB2 GLN 82 2HB GLN 82 1.892 5.151 -9.672 669 HB3 GLN 82 3HB GLN 82 0.892 4.154 -10.713 670 HG2 GLN 82 2HG GLN 82 -0.504 4.643 -8.941 671 HG3 GLN 82 3HG GLN 82 0.090 3.036 -8.543 672 HE21 GLN 82 1HE2 GLN 82 1.387 2.782 -6.744 673 HE22 GLN 82 2HE2 GLN 82 1.668 4.043 -5.605 674 H ILE 83 H ILE 83 3.646 1.316 -8.347 675 HA ILE 83 HA ILE 83 4.931 3.213 -6.516 676 HB ILE 83 HB ILE 83 4.735 0.192 -6.429 677 HG12 ILE 83 2HG1 ILE 83 2.629 1.498 -6.005 678 HG13 ILE 83 3HG1 ILE 83 3.150 0.520 -4.634 679 HG21 ILE 83 1HG2 ILE 83 5.678 0.361 -4.161 680 HG22 ILE 83 2HG2 ILE 83 5.945 2.086 -4.411 681 HG23 ILE 83 3HG2 ILE 83 6.815 0.911 -5.393 682 HD11 ILE 83 3HD1 ILE 83 3.572 3.485 -4.946 683 HD12 ILE 83 1HD1 ILE 83 4.068 2.509 -3.563 684 HD13 ILE 83 2HD1 ILE 83 2.356 2.708 -3.934 685 H ALA 84 H ALA 84 6.760 4.045 -7.346 686 HA ALA 84 HA ALA 84 8.354 2.983 -9.343 687 HB1 ALA 84 3HB ALA 84 9.995 4.681 -8.745 688 HB2 ALA 84 1HB ALA 84 9.189 4.925 -7.196 689 HB3 ALA 84 2HB ALA 84 8.358 5.339 -8.693 690 H ASN 85 H ASN 85 8.520 2.344 -5.911 691 HA ASN 85 HA ASN 85 11.104 0.971 -6.188 692 HB2 ASN 85 2HB ASN 85 9.509 1.903 -3.809 693 HB3 ASN 85 3HB ASN 85 10.836 0.763 -3.624 694 HD21 ASN 85 1HD2 ASN 85 10.949 3.253 -6.057 695 HD22 ASN 85 2HD2 ASN 85 12.160 4.207 -5.288 696 H PHE 86 H PHE 86 8.138 -0.003 -6.859 697 HA PHE 86 HA PHE 86 7.792 -2.318 -5.255 698 HB2 PHE 86 2HB PHE 86 6.044 -1.039 -6.675 699 HB3 PHE 86 3HB PHE 86 6.649 -1.999 -8.023 700 HD1 PHE 86 HD1 PHE 86 5.445 -2.373 -4.543 701 HD2 PHE 86 HD2 PHE 86 5.645 -4.066 -8.442 702 HE1 PHE 86 HE1 PHE 86 3.983 -4.227 -3.811 703 HE2 PHE 86 HE2 PHE 86 4.190 -5.918 -7.725 704 HZ PHE 86 HZ PHE 86 3.355 -5.998 -5.406 705 HA PRO 87 HA PRO 87 10.684 -5.035 -7.440 706 HB2 PRO 87 2HB PRO 87 9.344 -7.196 -5.943 707 HB3 PRO 87 3HB PRO 87 11.034 -6.684 -5.895 708 HG2 PRO 87 2HG PRO 87 9.348 -6.235 -3.837 709 HG3 PRO 87 3HG PRO 87 10.651 -5.107 -4.251 710 HD2 PRO 87 2HD PRO 87 7.717 -4.928 -4.872 711 HD3 PRO 87 3HD PRO 87 8.837 -3.654 -4.339 712 H ASP 88 H ASP 88 9.674 -4.803 -9.495 713 HA ASP 88 HA ASP 88 7.182 -6.078 -10.098 714 HB2 ASP 88 2HB ASP 88 8.187 -3.965 -11.182 715 HB3 ASP 88 3HB ASP 88 9.155 -5.072 -12.150 716 H LYS 89 H LYS 89 7.444 -7.330 -12.518 717 HA LYS 89 HA LYS 89 8.861 -9.784 -11.676 718 HB2 LYS 89 2HB LYS 89 6.357 -9.686 -13.374 719 HB3 LYS 89 3HB LYS 89 7.087 -11.093 -12.622 720 HG2 LYS 89 2HG LYS 89 5.196 -10.615 -11.321 721 HG3 LYS 89 3HG LYS 89 6.557 -9.999 -10.382 722 HD2 LYS 89 2HD LYS 89 4.710 -8.408 -10.349 723 HD3 LYS 89 3HD LYS 89 6.087 -7.727 -11.212 724 HE2 LYS 89 2HE LYS 89 4.941 -8.564 -13.345 725 HE3 LYS 89 3HE LYS 89 3.513 -8.802 -12.344 726 HZ1 LYS 89 3HZ LYS 89 3.579 -6.445 -11.777 727 HZ2 LYS 89 1HZ LYS 89 3.460 -6.667 -13.448 728 HZ3 LYS 89 2HZ LYS 89 4.937 -6.227 -12.761 729 H LEU 90 H LEU 90 8.990 -11.375 -13.676 730 HA LEU 90 HA LEU 90 10.412 -9.979 -15.794 731 HB2 LEU 90 2HB LEU 90 11.368 -12.040 -14.866 732 HB3 LEU 90 3HB LEU 90 9.945 -12.937 -15.368 733 HG LEU 90 HG LEU 90 10.498 -12.425 -17.745 734 HD11 LEU 90 1HD1 LEU 90 13.035 -11.269 -16.584 735 HD12 LEU 90 2HD1 LEU 90 11.757 -10.368 -17.398 736 HD13 LEU 90 3HD1 LEU 90 12.713 -11.544 -18.296 737 HD21 LEU 90 3HD2 LEU 90 12.705 -13.800 -16.203 738 HD22 LEU 90 1HD2 LEU 90 12.360 -13.993 -17.923 739 HD23 LEU 90 2HD2 LEU 90 11.190 -14.541 -16.722 740 H GLU 91 H GLU 91 8.674 -8.885 -16.769 741 HA GLU 91 HA GLU 91 6.904 -10.588 -18.403 742 HB2 GLU 91 2HB GLU 91 5.450 -8.462 -18.496 743 HB3 GLU 91 3HB GLU 91 5.462 -9.391 -17.006 744 HG2 GLU 91 2HG GLU 91 7.140 -7.789 -16.093 745 HG3 GLU 91 3HG GLU 91 6.936 -6.821 -17.553 746 H HIS 92 H HIS 92 7.484 -10.677 -20.447 747 HA HIS 92 HA HIS 92 9.493 -9.073 -21.602 748 HB2 HIS 92 2HB HIS 92 7.431 -10.823 -22.963 749 HB3 HIS 92 3HB HIS 92 8.866 -10.161 -23.740 750 HD1 HIS 92 HD1 HIS 92 7.691 -13.025 -21.825 751 HD2 HIS 92 HD2 HIS 92 11.350 -11.207 -22.593 752 HE1 HIS 92 HE1 HIS 92 9.430 -14.721 -21.194 753 HE2 HIS 92 HE2 HIS 92 11.628 -13.540 -21.512 754 H HIS 93 H HIS 93 5.972 -9.077 -22.222 755 HA HIS 93 HA HIS 93 6.167 -6.559 -23.667 756 HB2 HIS 93 2HB HIS 93 4.551 -8.539 -24.171 757 HB3 HIS 93 3HB HIS 93 3.588 -7.893 -22.849 758 HD1 HIS 93 HD1 HIS 93 2.041 -7.827 -25.221 759 HD2 HIS 93 HD2 HIS 93 4.871 -4.863 -24.572 760 HE1 HIS 93 HE1 HIS 93 1.361 -5.925 -26.697 761 HE2 HIS 93 HE2 HIS 93 3.215 -4.248 -26.459 762 H HIS 94 H HIS 94 6.983 -5.223 -22.001 763 HA HIS 94 HA HIS 94 5.929 -5.243 -19.359 764 HB2 HIS 94 2HB HIS 94 8.296 -4.645 -20.081 765 HB3 HIS 94 3HB HIS 94 7.660 -3.075 -20.557 766 HD1 HIS 94 HD1 HIS 94 6.583 -4.834 -17.394 767 HD2 HIS 94 HD2 HIS 94 8.971 -1.649 -18.582 768 HE1 HIS 94 HE1 HIS 94 7.254 -3.673 -15.279 769 HE2 HIS 94 HE2 HIS 94 8.875 -1.900 -16.009 770 H HIS 95 H HIS 95 5.944 -2.520 -21.709 771 HA HIS 95 HA HIS 95 4.400 -0.916 -22.198 772 HB2 HIS 95 2HB HIS 95 2.724 -2.698 -22.265 773 HB3 HIS 95 3HB HIS 95 2.501 -2.579 -20.524 774 HD1 HIS 95 HD1 HIS 95 1.176 -0.506 -19.636 775 HD2 HIS 95 HD2 HIS 95 1.383 -0.786 -23.777 776 HE1 HIS 95 HE1 HIS 95 -0.533 1.106 -20.505 777 HE2 HIS 95 HE2 HIS 95 -0.479 0.830 -23.004 778 H HIS 96 H HIS 96 4.675 -1.812 -18.813 779 HA HIS 96 HA HIS 96 3.624 0.383 -17.521 780 HB2 HIS 96 2HB HIS 96 4.359 -1.623 -16.361 781 HB3 HIS 96 3HB HIS 96 6.031 -1.305 -16.798 782 HD1 HIS 96 HD1 HIS 96 7.367 0.152 -15.241 783 HD2 HIS 96 HD2 HIS 96 3.299 0.233 -14.400 784 HE1 HIS 96 HE1 HIS 96 7.157 1.367 -13.058 785 HE2 HIS 96 HE2 HIS 96 4.682 1.573 -12.676 786 H HIS 97 H HIS 97 4.301 2.407 -16.990 787 HA HIS 97 HA HIS 97 7.057 3.230 -17.589 788 HB2 HIS 97 2HB HIS 97 4.556 4.615 -18.565 789 HB3 HIS 97 3HB HIS 97 6.087 5.464 -18.410 790 HD1 HIS 97 HD1 HIS 97 4.170 3.501 -20.763 791 HD2 HIS 97 HD2 HIS 97 8.204 4.193 -20.050 792 HE1 HIS 97 HE1 HIS 97 5.350 2.829 -22.870 793 HE2 HIS 97 HE2 HIS 97 7.795 3.048 -22.331 Start of MODEL 7 1 H1 MET 1 1H MET 1 10.358 -1.629 -15.766 2 H2 MET 1 2H MET 1 10.505 -3.308 -15.854 3 H3 MET 1 3H MET 1 10.540 -2.539 -14.352 4 HA MET 1 HA MET 1 8.417 -3.623 -14.744 5 HB2 MET 1 2HB MET 1 8.252 -0.595 -14.775 6 HB3 MET 1 3HB MET 1 6.985 -1.687 -14.230 7 HG2 MET 1 2HG MET 1 8.180 -0.715 -12.354 8 HG3 MET 1 3HG MET 1 8.417 -2.461 -12.416 9 HE1 MET 1 3HE MET 1 11.844 -1.180 -10.996 10 HE2 MET 1 1HE MET 1 10.490 -2.286 -10.752 11 HE3 MET 1 2HE MET 1 10.233 -0.544 -10.651 12 H ASP 2 H ASP 2 7.951 -4.624 -16.691 13 HA ASP 2 HA ASP 2 7.353 -2.992 -19.042 14 HB2 ASP 2 2HB ASP 2 7.487 -5.997 -18.687 15 HB3 ASP 2 3HB ASP 2 7.204 -5.174 -20.217 16 H ARG 3 H ARG 3 5.330 -2.217 -19.252 17 HA ARG 3 HA ARG 3 3.066 -3.668 -18.099 18 HB2 ARG 3 2HB ARG 3 1.779 -1.697 -18.445 19 HB3 ARG 3 3HB ARG 3 3.350 -1.160 -17.866 20 HG2 ARG 3 2HG ARG 3 3.985 -0.692 -20.241 21 HG3 ARG 3 3HG ARG 3 2.321 -1.064 -20.699 22 HD2 ARG 3 2HD ARG 3 2.475 1.304 -20.491 23 HD3 ARG 3 3HD ARG 3 1.580 0.721 -19.086 24 HE ARG 3 HE ARG 3 4.453 1.155 -18.808 25 HH11 ARG 3 1HH1 ARG 3 1.243 2.175 -18.083 26 HH12 ARG 3 2HH1 ARG 3 1.767 3.291 -16.871 27 HH21 ARG 3 1HH2 ARG 3 5.104 2.595 -17.261 28 HH22 ARG 3 2HH2 ARG 3 3.920 3.527 -16.416 29 H LYS 4 H LYS 4 4.409 -2.856 -21.252 30 HA LYS 4 HA LYS 4 2.166 -3.564 -22.826 31 HB2 LYS 4 2HB LYS 4 5.107 -3.405 -23.480 32 HB3 LYS 4 3HB LYS 4 3.889 -3.811 -24.684 33 HG2 LYS 4 2HG LYS 4 2.772 -1.655 -24.242 34 HG3 LYS 4 3HG LYS 4 4.057 -1.243 -23.108 35 HD2 LYS 4 2HD LYS 4 4.499 -1.878 -26.030 36 HD3 LYS 4 3HD LYS 4 4.352 -0.245 -25.378 37 HE2 LYS 4 2HE LYS 4 6.444 -2.263 -24.542 38 HE3 LYS 4 3HE LYS 4 6.703 -0.954 -25.697 39 HZ1 LYS 4 3HZ LYS 4 5.971 -0.638 -22.841 40 HZ2 LYS 4 1HZ LYS 4 6.151 0.628 -23.945 41 HZ3 LYS 4 2HZ LYS 4 7.484 -0.325 -23.526 42 H LEU 5 H LEU 5 4.711 -5.508 -21.406 43 HA LEU 5 HA LEU 5 4.127 -7.889 -22.882 44 HB2 LEU 5 2HB LEU 5 5.680 -7.304 -20.380 45 HB3 LEU 5 3HB LEU 5 5.354 -8.962 -20.844 46 HG LEU 5 HG LEU 5 7.585 -8.247 -21.570 47 HD11 LEU 5 1HD1 LEU 5 6.444 -9.944 -22.874 48 HD12 LEU 5 2HD1 LEU 5 7.412 -8.915 -23.928 49 HD13 LEU 5 3HD1 LEU 5 5.663 -8.701 -23.853 50 HD21 LEU 5 3HD2 LEU 5 7.873 -6.566 -23.314 51 HD22 LEU 5 1HD2 LEU 5 7.133 -5.855 -21.881 52 HD23 LEU 5 2HD2 LEU 5 6.143 -6.223 -23.291 53 H LEU 6 H LEU 6 2.440 -6.257 -20.474 54 HA LEU 6 HA LEU 6 0.843 -8.659 -19.820 55 HB2 LEU 6 2HB LEU 6 1.076 -6.053 -18.296 56 HB3 LEU 6 3HB LEU 6 0.088 -7.425 -17.825 57 HG LEU 6 HG LEU 6 3.112 -7.435 -17.997 58 HD11 LEU 6 1HD1 LEU 6 3.067 -7.524 -15.557 59 HD12 LEU 6 2HD1 LEU 6 1.309 -7.386 -15.576 60 HD13 LEU 6 3HD1 LEU 6 2.304 -6.048 -16.154 61 HD21 LEU 6 3HD2 LEU 6 2.952 -9.618 -16.894 62 HD22 LEU 6 1HD2 LEU 6 2.152 -9.630 -18.464 63 HD23 LEU 6 2HD2 LEU 6 1.192 -9.539 -16.987 64 H HIS 7 H HIS 7 0.775 -6.659 -22.138 65 HA HIS 7 HA HIS 7 -1.796 -5.327 -21.800 66 HB2 HIS 7 2HB HIS 7 0.184 -4.242 -22.918 67 HB3 HIS 7 3HB HIS 7 -0.009 -5.381 -24.245 68 HD1 HIS 7 HD1 HIS 7 -1.656 -4.749 -26.046 69 HD2 HIS 7 HD2 HIS 7 -2.042 -2.405 -22.634 70 HE1 HIS 7 HE1 HIS 7 -3.257 -2.915 -26.661 71 HE2 HIS 7 HE2 HIS 7 -3.363 -1.439 -24.629 72 H LEU 8 H LEU 8 -1.056 -8.409 -22.459 73 HA LEU 8 HA LEU 8 -2.661 -8.886 -24.814 74 HB2 LEU 8 2HB LEU 8 -0.682 -10.258 -24.328 75 HB3 LEU 8 3HB LEU 8 -1.422 -10.809 -22.836 76 HG LEU 8 HG LEU 8 -3.208 -11.919 -24.152 77 HD11 LEU 8 1HD1 LEU 8 -3.189 -10.508 -26.127 78 HD12 LEU 8 2HD1 LEU 8 -2.935 -12.195 -26.573 79 HD13 LEU 8 3HD1 LEU 8 -1.571 -11.077 -26.546 80 HD21 LEU 8 3HD2 LEU 8 -0.401 -12.739 -24.914 81 HD22 LEU 8 1HD2 LEU 8 -1.838 -13.758 -25.010 82 HD23 LEU 8 2HD2 LEU 8 -1.257 -13.200 -23.442 83 H LEU 9 H LEU 9 -4.645 -9.953 -24.913 84 HA LEU 9 HA LEU 9 -6.581 -9.438 -22.979 85 HB2 LEU 9 2HB LEU 9 -6.936 -9.952 -25.412 86 HB3 LEU 9 3HB LEU 9 -6.637 -11.639 -25.059 87 HG LEU 9 HG LEU 9 -8.891 -10.122 -23.735 88 HD11 LEU 9 1HD1 LEU 9 -8.995 -11.653 -26.340 89 HD12 LEU 9 2HD1 LEU 9 -9.198 -9.911 -26.145 90 HD13 LEU 9 3HD1 LEU 9 -10.386 -11.018 -25.460 91 HD21 LEU 9 3HD2 LEU 9 -8.440 -13.070 -24.256 92 HD22 LEU 9 1HD2 LEU 9 -9.871 -12.369 -23.501 93 HD23 LEU 9 2HD2 LEU 9 -8.308 -12.254 -22.696 94 H CYS 10 H CYS 10 -7.083 -10.374 -21.092 95 HA CYS 10 HA CYS 10 -6.350 -13.197 -20.631 96 HB2 CYS 10 2HB CYS 10 -4.732 -11.813 -19.429 97 HB3 CYS 10 3HB CYS 10 -6.036 -10.923 -18.652 98 HG CYS 10 HG CYS 10 -6.795 -12.826 -16.928 99 H SER 11 H SER 11 -7.580 -14.205 -18.842 100 HA SER 11 HA SER 11 -10.384 -13.396 -18.934 101 HB2 SER 11 2HB SER 11 -10.650 -15.651 -17.689 102 HB3 SER 11 3HB SER 11 -10.129 -15.704 -19.370 103 HG SER 11 HG SER 11 -8.536 -15.989 -17.040 104 HA PRO 12 HA PRO 12 -10.519 -11.645 -14.924 105 HB2 PRO 12 2HB PRO 12 -12.964 -12.260 -13.983 106 HB3 PRO 12 3HB PRO 12 -12.743 -11.247 -15.413 107 HG2 PRO 12 2HG PRO 12 -13.400 -14.170 -15.254 108 HG3 PRO 12 3HG PRO 12 -14.122 -12.917 -16.283 109 HD2 PRO 12 2HD PRO 12 -12.199 -14.644 -17.163 110 HD3 PRO 12 3HD PRO 12 -12.410 -13.008 -17.815 111 H ASP 13 H ASP 13 -8.953 -13.960 -14.641 112 HA ASP 13 HA ASP 13 -9.851 -15.580 -12.445 113 HB2 ASP 13 2HB ASP 13 -6.943 -15.124 -13.104 114 HB3 ASP 13 3HB ASP 13 -7.716 -16.578 -12.480 115 H THR 14 H THR 14 -8.901 -12.369 -12.557 116 HA THR 14 HA THR 14 -6.949 -12.325 -10.476 117 HB THR 14 HB THR 14 -6.992 -10.716 -12.373 118 HG1 THR 14 HG1 THR 14 -5.933 -10.358 -10.249 119 HG21 THR 14 3HG2 THR 14 -8.447 -8.743 -12.221 120 HG22 THR 14 1HG2 THR 14 -9.263 -9.448 -10.823 121 HG23 THR 14 2HG2 THR 14 -9.396 -10.218 -12.406 122 H ARG 15 H ARG 15 -10.184 -12.778 -10.043 123 HA ARG 15 HA ARG 15 -10.523 -11.059 -7.747 124 HB2 ARG 15 2HB ARG 15 -12.482 -11.816 -9.030 125 HB3 ARG 15 3HB ARG 15 -12.135 -13.483 -8.596 126 HG2 ARG 15 2HG ARG 15 -13.966 -12.491 -7.263 127 HG3 ARG 15 3HG ARG 15 -12.613 -13.037 -6.274 128 HD2 ARG 15 2HD ARG 15 -11.834 -10.783 -5.976 129 HD3 ARG 15 3HD ARG 15 -13.000 -10.173 -7.150 130 HE ARG 15 HE ARG 15 -14.754 -10.683 -5.557 131 HH11 ARG 15 1HH1 ARG 15 -11.561 -10.843 -4.265 132 HH12 ARG 15 2HH1 ARG 15 -12.080 -10.478 -2.664 133 HH21 ARG 15 1HH2 ARG 15 -15.399 -10.233 -3.495 134 HH22 ARG 15 2HH2 ARG 15 -14.229 -10.127 -2.227 135 H GLN 16 H GLN 16 -8.452 -11.643 -6.826 136 HA GLN 16 HA GLN 16 -8.278 -14.294 -5.587 137 HB2 GLN 16 2HB GLN 16 -6.201 -12.127 -5.990 138 HB3 GLN 16 3HB GLN 16 -5.889 -13.663 -5.197 139 HG2 GLN 16 2HG GLN 16 -6.848 -13.389 -8.043 140 HG3 GLN 16 3HG GLN 16 -5.157 -13.566 -7.574 141 HE21 GLN 16 1HE2 GLN 16 -4.410 -15.556 -6.910 142 HE22 GLN 16 2HE2 GLN 16 -5.347 -17.002 -7.040 143 HA PRO 17 HA PRO 17 -9.341 -12.730 -1.565 144 HB2 PRO 17 2HB PRO 17 -7.535 -14.841 -0.523 145 HB3 PRO 17 3HB PRO 17 -9.256 -14.583 -0.221 146 HG2 PRO 17 2HG PRO 17 -8.427 -16.589 -1.778 147 HG3 PRO 17 3HG PRO 17 -9.897 -15.674 -2.174 148 HD2 PRO 17 2HD PRO 17 -7.146 -15.445 -3.352 149 HD3 PRO 17 3HD PRO 17 -8.723 -15.424 -4.170 150 H LEU 18 H LEU 18 -8.337 -11.936 0.450 151 HA LEU 18 HA LEU 18 -5.786 -10.613 -0.113 152 HB2 LEU 18 2HB LEU 18 -7.869 -10.133 2.022 153 HB3 LEU 18 3HB LEU 18 -6.378 -9.217 1.876 154 HG LEU 18 HG LEU 18 -8.584 -9.315 -0.194 155 HD11 LEU 18 1HD1 LEU 18 -8.964 -6.976 0.435 156 HD12 LEU 18 2HD1 LEU 18 -7.771 -7.132 1.725 157 HD13 LEU 18 3HD1 LEU 18 -9.259 -8.078 1.779 158 HD21 LEU 18 3HD2 LEU 18 -6.041 -7.684 -0.114 159 HD22 LEU 18 1HD2 LEU 18 -7.324 -7.547 -1.317 160 HD23 LEU 18 2HD2 LEU 18 -6.375 -9.030 -1.206 161 H SER 19 H SER 19 -4.019 -10.686 1.253 162 HA SER 19 HA SER 19 -4.107 -12.480 3.589 163 HB2 SER 19 2HB SER 19 -1.987 -12.559 1.414 164 HB3 SER 19 3HB SER 19 -1.905 -13.448 2.934 165 HG SER 19 HG SER 19 -3.934 -14.445 2.260 166 H LEU 20 H LEU 20 -1.989 -12.210 4.905 167 HA LEU 20 HA LEU 20 -1.631 -9.410 5.439 168 HB2 LEU 20 2HB LEU 20 -1.641 -11.387 7.099 169 HB3 LEU 20 3HB LEU 20 0.017 -11.652 6.608 170 HG LEU 20 HG LEU 20 -0.257 -10.387 8.750 171 HD11 LEU 20 1HD1 LEU 20 1.823 -10.230 7.472 172 HD12 LEU 20 2HD1 LEU 20 1.454 -8.714 8.294 173 HD13 LEU 20 3HD1 LEU 20 1.165 -8.871 6.560 174 HD21 LEU 20 3HD2 LEU 20 -2.240 -9.093 8.138 175 HD22 LEU 20 1HD2 LEU 20 -1.293 -8.193 6.952 176 HD23 LEU 20 2HD2 LEU 20 -0.928 -8.042 8.669 177 H LEU 21 H LEU 21 -0.057 -8.067 4.711 178 HA LEU 21 HA LEU 21 1.721 -8.996 2.653 179 HB2 LEU 21 2HB LEU 21 0.651 -6.831 2.445 180 HB3 LEU 21 3HB LEU 21 1.395 -6.280 3.935 181 HG LEU 21 HG LEU 21 3.606 -6.339 2.883 182 HD11 LEU 21 1HD1 LEU 21 2.153 -7.221 0.387 183 HD12 LEU 21 2HD1 LEU 21 3.258 -8.203 1.347 184 HD13 LEU 21 3HD1 LEU 21 3.860 -6.783 0.492 185 HD21 LEU 21 3HD2 LEU 21 1.562 -4.851 1.226 186 HD22 LEU 21 1HD2 LEU 21 3.292 -4.506 1.287 187 HD23 LEU 21 2HD2 LEU 21 2.297 -4.284 2.726 188 H GLU 22 H GLU 22 3.712 -9.743 2.889 189 HA GLU 22 HA GLU 22 5.000 -10.019 5.369 190 HB2 GLU 22 2HB GLU 22 5.419 -11.546 3.547 191 HB3 GLU 22 3HB GLU 22 6.064 -10.249 2.550 192 HG2 GLU 22 2HG GLU 22 7.986 -10.030 3.984 193 HG3 GLU 22 3HG GLU 22 7.314 -11.202 5.121 194 H SER 23 H SER 23 6.635 -8.949 6.376 195 HA SER 23 HA SER 23 6.814 -6.199 6.241 196 HB2 SER 23 2HB SER 23 8.832 -6.410 7.663 197 HB3 SER 23 3HB SER 23 7.542 -7.492 8.189 198 HG SER 23 HG SER 23 9.594 -8.536 8.099 199 H LYS 24 H LYS 24 8.944 -8.560 4.647 200 HA LYS 24 HA LYS 24 10.888 -6.735 3.736 201 HB2 LYS 24 2HB LYS 24 11.215 -9.186 3.741 202 HB3 LYS 24 3HB LYS 24 10.044 -9.339 2.438 203 HG2 LYS 24 2HG LYS 24 12.341 -9.462 1.606 204 HG3 LYS 24 3HG LYS 24 11.495 -8.057 0.956 205 HD2 LYS 24 2HD LYS 24 12.588 -6.629 2.645 206 HD3 LYS 24 3HD LYS 24 13.449 -8.038 3.268 207 HE2 LYS 24 2HE LYS 24 13.689 -6.928 0.466 208 HE3 LYS 24 3HE LYS 24 14.846 -6.666 1.771 209 HZ1 LYS 24 3HZ LYS 24 15.227 -9.065 1.838 210 HZ2 LYS 24 1HZ LYS 24 15.591 -8.422 0.317 211 HZ3 LYS 24 2HZ LYS 24 14.157 -9.283 0.552 212 H GLY 25 H GLY 25 7.850 -7.807 2.236 213 HA2 GLY 25 2HA GLY 25 8.167 -6.161 -0.101 214 HA3 GLY 25 3HA GLY 25 6.686 -6.939 0.429 215 H LEU 26 H LEU 26 6.562 -5.781 3.017 216 HA LEU 26 HA LEU 26 5.021 -3.523 2.485 217 HB2 LEU 26 2HB LEU 26 4.770 -4.937 4.472 218 HB3 LEU 26 3HB LEU 26 6.310 -4.365 5.084 219 HG LEU 26 HG LEU 26 5.384 -2.087 5.301 220 HD11 LEU 26 1HD1 LEU 26 2.791 -3.352 4.403 221 HD12 LEU 26 2HD1 LEU 26 3.742 -2.162 3.509 222 HD13 LEU 26 3HD1 LEU 26 2.979 -1.713 5.033 223 HD21 LEU 26 3HD2 LEU 26 5.283 -3.613 7.206 224 HD22 LEU 26 1HD2 LEU 26 3.715 -4.210 6.662 225 HD23 LEU 26 2HD2 LEU 26 3.889 -2.535 7.184 226 H GLU 27 H GLU 27 8.446 -3.725 3.373 227 HA GLU 27 HA GLU 27 8.857 -1.040 4.060 228 HB2 GLU 27 2HB GLU 27 11.222 -1.391 3.582 229 HB3 GLU 27 3HB GLU 27 10.558 -2.776 4.437 230 HG2 GLU 27 2HG GLU 27 10.483 -4.066 2.419 231 HG3 GLU 27 3HG GLU 27 10.955 -2.668 1.454 232 H ALA 28 H ALA 28 8.703 -2.582 0.883 233 HA ALA 28 HA ALA 28 9.701 -0.475 -0.685 234 HB1 ALA 28 3HB ALA 28 8.550 -1.536 -2.556 235 HB2 ALA 28 1HB ALA 28 7.582 -2.499 -1.437 236 HB3 ALA 28 2HB ALA 28 9.325 -2.752 -1.541 237 H LEU 29 H LEU 29 6.448 -1.124 0.536 238 HA LEU 29 HA LEU 29 5.127 1.023 -0.760 239 HB2 LEU 29 2HB LEU 29 4.470 -0.471 1.790 240 HB3 LEU 29 3HB LEU 29 3.426 0.760 1.106 241 HG LEU 29 HG LEU 29 2.567 -1.410 0.512 242 HD11 LEU 29 1HD1 LEU 29 3.887 -0.139 -1.886 243 HD12 LEU 29 2HD1 LEU 29 2.347 0.337 -1.168 244 HD13 LEU 29 3HD1 LEU 29 2.514 -1.250 -1.920 245 HD21 LEU 29 3HD2 LEU 29 5.267 -1.990 -0.709 246 HD22 LEU 29 1HD2 LEU 29 3.840 -3.023 -0.815 247 HD23 LEU 29 2HD2 LEU 29 4.600 -2.729 0.748 248 H ASN 30 H ASN 30 6.435 0.726 2.545 249 HA ASN 30 HA ASN 30 5.889 3.316 3.433 250 HB2 ASN 30 2HB ASN 30 8.030 1.338 4.216 251 HB3 ASN 30 3HB ASN 30 7.860 2.899 5.020 252 HD21 ASN 30 1HD2 ASN 30 6.389 -0.218 4.485 253 HD22 ASN 30 2HD2 ASN 30 5.234 -0.095 5.762 254 H LYS 31 H LYS 31 8.801 2.090 1.781 255 HA LYS 31 HA LYS 31 10.328 4.428 1.788 256 HB2 LYS 31 2HB LYS 31 10.160 2.246 -0.304 257 HB3 LYS 31 3HB LYS 31 11.389 3.504 -0.291 258 HG2 LYS 31 2HG LYS 31 12.252 2.707 1.818 259 HG3 LYS 31 3HG LYS 31 10.952 1.519 1.936 260 HD2 LYS 31 2HD LYS 31 11.793 0.400 -0.080 261 HD3 LYS 31 3HD LYS 31 13.086 1.594 -0.209 262 HE2 LYS 31 2HE LYS 31 13.974 0.864 1.956 263 HE3 LYS 31 3HE LYS 31 12.675 -0.319 2.095 264 HZ1 LYS 31 3HZ LYS 31 13.525 -1.533 0.286 265 HZ2 LYS 31 1HZ LYS 31 14.849 -1.191 1.279 266 HZ3 LYS 31 2HZ LYS 31 14.612 -0.311 -0.144 267 H ALA 32 H ALA 32 7.987 3.301 -0.658 268 HA ALA 32 HA ALA 32 8.166 5.545 -2.357 269 HB1 ALA 32 3HB ALA 32 6.057 4.760 -3.323 270 HB2 ALA 32 1HB ALA 32 5.829 3.671 -1.953 271 HB3 ALA 32 2HB ALA 32 7.177 3.423 -3.061 272 H ILE 33 H ILE 33 6.195 4.947 0.518 273 HA ILE 33 HA ILE 33 4.533 7.229 0.355 274 HB ILE 33 HB ILE 33 5.504 5.697 2.780 275 HG12 ILE 33 2HG1 ILE 33 2.849 5.658 1.307 276 HG13 ILE 33 3HG1 ILE 33 4.097 4.425 1.182 277 HG21 ILE 33 1HG2 ILE 33 3.680 6.791 4.026 278 HG22 ILE 33 2HG2 ILE 33 3.345 7.810 2.627 279 HG23 ILE 33 3HG2 ILE 33 4.886 7.950 3.471 280 HD11 ILE 33 3HD1 ILE 33 2.281 3.730 2.642 281 HD12 ILE 33 1HD1 ILE 33 2.566 5.129 3.676 282 HD13 ILE 33 2HD1 ILE 33 3.796 3.873 3.534 283 H VAL 34 H VAL 34 7.687 6.760 1.974 284 HA VAL 34 HA VAL 34 8.031 9.392 2.909 285 HB VAL 34 HB VAL 34 10.204 7.514 1.932 286 HG11 VAL 34 1HG1 VAL 34 11.662 8.743 3.483 287 HG12 VAL 34 2HG1 VAL 34 10.333 9.839 3.859 288 HG13 VAL 34 3HG1 VAL 34 11.006 9.800 2.231 289 HG21 VAL 34 3HG2 VAL 34 10.387 6.794 4.281 290 HG22 VAL 34 1HG2 VAL 34 8.815 6.401 3.588 291 HG23 VAL 34 2HG2 VAL 34 8.975 7.774 4.682 292 H SER 35 H SER 35 8.798 7.893 -0.191 293 HA SER 35 HA SER 35 9.975 10.138 -1.447 294 HB2 SER 35 2HB SER 35 10.210 7.861 -2.323 295 HB3 SER 35 3HB SER 35 8.486 7.794 -2.665 296 HG SER 35 HG SER 35 9.575 9.974 -3.825 297 H GLY 36 H GLY 36 6.659 9.316 -0.802 298 HA2 GLY 36 2HA GLY 36 4.780 10.660 -0.955 299 HA3 GLY 36 3HA GLY 36 5.781 11.919 -1.656 300 H THR 37 H THR 37 5.631 8.705 -3.041 301 HA THR 37 HA THR 37 4.231 9.854 -5.386 302 HB THR 37 HB THR 37 6.589 9.256 -5.832 303 HG1 THR 37 HG1 THR 37 5.318 9.098 -7.625 304 HG21 THR 37 3HG2 THR 37 7.288 6.908 -5.888 305 HG22 THR 37 1HG2 THR 37 5.718 6.417 -5.247 306 HG23 THR 37 2HG2 THR 37 6.813 7.380 -4.256 307 H VAL 38 H VAL 38 3.204 8.309 -2.933 308 HA VAL 38 HA VAL 38 2.042 5.960 -4.241 309 HB VAL 38 HB VAL 38 1.856 6.819 -1.347 310 HG11 VAL 38 1HG1 VAL 38 -0.056 5.470 -2.005 311 HG12 VAL 38 2HG1 VAL 38 1.008 4.539 -0.952 312 HG13 VAL 38 3HG1 VAL 38 1.013 4.245 -2.691 313 HG21 VAL 38 3HG2 VAL 38 3.436 4.993 -0.917 314 HG22 VAL 38 1HG2 VAL 38 4.131 6.226 -1.968 315 HG23 VAL 38 2HG2 VAL 38 3.568 4.700 -2.652 316 H GLN 39 H GLN 39 0.476 6.833 -5.588 317 HA GLN 39 HA GLN 39 -1.712 8.364 -4.445 318 HB2 GLN 39 2HB GLN 39 -1.083 7.371 -7.219 319 HB3 GLN 39 3HB GLN 39 -2.696 7.943 -6.826 320 HG2 GLN 39 2HG GLN 39 -1.641 9.784 -7.779 321 HG3 GLN 39 3HG GLN 39 -1.577 10.095 -6.049 322 HE21 GLN 39 1HE2 GLN 39 0.062 11.183 -8.174 323 HE22 GLN 39 2HE2 GLN 39 1.694 10.768 -7.796 324 H ARG 40 H ARG 40 -3.488 7.513 -3.600 325 HA ARG 40 HA ARG 40 -3.957 4.705 -3.428 326 HB2 ARG 40 2HB ARG 40 -5.790 7.026 -2.782 327 HB3 ARG 40 3HB ARG 40 -6.056 5.357 -2.303 328 HG2 ARG 40 2HG ARG 40 -4.136 5.411 -0.841 329 HG3 ARG 40 3HG ARG 40 -3.701 7.027 -1.415 330 HD2 ARG 40 2HD ARG 40 -5.765 7.935 -0.516 331 HD3 ARG 40 3HD ARG 40 -6.286 6.326 -0.026 332 HE ARG 40 HE ARG 40 -3.810 7.185 1.167 333 HH11 ARG 40 1HH1 ARG 40 -7.242 7.113 1.421 334 HH12 ARG 40 2HH1 ARG 40 -7.236 7.390 3.131 335 HH21 ARG 40 1HH2 ARG 40 -3.823 7.565 3.381 336 HH22 ARG 40 2HH2 ARG 40 -5.334 7.666 4.216 337 H ALA 41 H ALA 41 -6.379 3.957 -3.896 338 HA ALA 41 HA ALA 41 -6.825 3.723 -6.616 339 HB1 ALA 41 3HB ALA 41 -9.050 2.929 -6.065 340 HB2 ALA 41 1HB ALA 41 -8.949 3.679 -4.468 341 HB3 ALA 41 2HB ALA 41 -7.889 2.327 -4.880 342 H ASP 42 H ASP 42 -8.112 6.165 -4.408 343 HA ASP 42 HA ASP 42 -9.537 7.508 -6.575 344 HB2 ASP 42 2HB ASP 42 -9.489 7.891 -3.580 345 HB3 ASP 42 3HB ASP 42 -10.343 8.985 -4.667 346 H GLY 43 H GLY 43 -6.476 7.528 -6.183 347 HA2 GLY 43 2HA GLY 43 -4.921 9.018 -7.022 348 HA3 GLY 43 3HA GLY 43 -6.197 10.208 -7.190 349 H SER 44 H SER 44 -6.437 9.389 -4.044 350 HA SER 44 HA SER 44 -5.166 11.772 -3.116 351 HB2 SER 44 2HB SER 44 -6.221 9.443 -1.480 352 HB3 SER 44 3HB SER 44 -5.907 11.077 -0.896 353 HG SER 44 HG SER 44 -8.159 10.539 -1.469 354 H ILE 45 H ILE 45 -3.226 12.079 -2.069 355 HA ILE 45 HA ILE 45 -1.195 10.082 -2.405 356 HB ILE 45 HB ILE 45 -1.081 12.738 -0.952 357 HG12 ILE 45 2HG1 ILE 45 -1.597 12.969 -3.346 358 HG13 ILE 45 3HG1 ILE 45 0.020 13.567 -2.993 359 HG21 ILE 45 1HG2 ILE 45 0.681 11.268 -0.159 360 HG22 ILE 45 2HG2 ILE 45 1.370 12.533 -1.176 361 HG23 ILE 45 3HG2 ILE 45 1.162 10.903 -1.816 362 HD11 ILE 45 3HD1 ILE 45 0.965 11.483 -3.859 363 HD12 ILE 45 1HD1 ILE 45 -0.013 12.322 -5.063 364 HD13 ILE 45 2HD1 ILE 45 -0.659 10.908 -4.230 365 H GLN 46 H GLN 46 -0.603 8.524 -1.025 366 HA GLN 46 HA GLN 46 -1.661 8.381 1.658 367 HB2 GLN 46 2HB GLN 46 -1.257 6.386 0.157 368 HB3 GLN 46 3HB GLN 46 0.466 6.633 0.392 369 HG2 GLN 46 2HG GLN 46 -0.232 4.902 1.864 370 HG3 GLN 46 3HG GLN 46 0.108 6.326 2.843 371 HE21 GLN 46 1HE2 GLN 46 -2.392 4.255 1.576 372 HE22 GLN 46 2HE2 GLN 46 -3.642 4.784 2.641 373 H ASN 47 H ASN 47 -0.827 10.007 2.928 374 HA ASN 47 HA ASN 47 1.968 10.760 2.711 375 HB2 ASN 47 2HB ASN 47 -0.283 11.869 4.397 376 HB3 ASN 47 3HB ASN 47 1.349 12.533 4.361 377 HD21 ASN 47 1HD2 ASN 47 -1.626 12.156 2.615 378 HD22 ASN 47 2HD2 ASN 47 -1.254 13.283 1.362 379 H GLN 48 H GLN 48 -0.036 8.988 4.962 380 HA GLN 48 HA GLN 48 2.083 8.997 6.992 381 HB2 GLN 48 2HB GLN 48 -0.763 7.971 7.139 382 HB3 GLN 48 3HB GLN 48 0.380 8.000 8.477 383 HG2 GLN 48 2HG GLN 48 -0.597 10.447 7.007 384 HG3 GLN 48 3HG GLN 48 -1.273 9.849 8.520 385 HE21 GLN 48 1HE2 GLN 48 -0.744 11.783 9.568 386 HE22 GLN 48 2HE2 GLN 48 0.881 12.169 10.008 387 H SER 49 H SER 49 3.520 7.417 6.990 388 HA SER 49 HA SER 49 3.311 5.053 5.451 389 HB2 SER 49 2HB SER 49 5.417 4.379 6.542 390 HB3 SER 49 3HB SER 49 5.486 6.059 6.012 391 HG SER 49 HG SER 49 5.209 5.025 8.631 392 H LEU 50 H LEU 50 2.090 3.352 5.859 393 HA LEU 50 HA LEU 50 0.969 2.898 8.471 394 HB2 LEU 50 2HB LEU 50 -0.154 0.929 7.267 395 HB3 LEU 50 3HB LEU 50 -0.595 2.556 6.799 396 HG LEU 50 HG LEU 50 1.095 2.272 4.870 397 HD11 LEU 50 1HD1 LEU 50 1.460 -0.028 4.124 398 HD12 LEU 50 2HD1 LEU 50 0.730 -0.628 5.614 399 HD13 LEU 50 3HD1 LEU 50 2.236 0.288 5.672 400 HD21 LEU 50 3HD2 LEU 50 -1.430 0.623 4.907 401 HD22 LEU 50 1HD2 LEU 50 -0.570 1.167 3.466 402 HD23 LEU 50 2HD2 LEU 50 -1.315 2.345 4.546 403 H HIS 51 H HIS 51 1.364 1.268 9.893 404 HA HIS 51 HA HIS 51 3.914 -0.067 9.688 405 HB2 HIS 51 2HB HIS 51 3.111 0.937 11.801 406 HB3 HIS 51 3HB HIS 51 1.802 -0.238 11.853 407 HD1 HIS 51 HD1 HIS 51 5.530 0.040 12.238 408 HD2 HIS 51 HD2 HIS 51 2.507 -2.750 12.828 409 HE1 HIS 51 HE1 HIS 51 6.593 -1.842 13.509 410 HE2 HIS 51 HE2 HIS 51 4.808 -3.603 13.656 411 H GLU 52 H GLU 52 0.604 -0.957 9.161 412 HA GLU 52 HA GLU 52 1.449 -3.702 8.556 413 HB2 GLU 52 2HB GLU 52 0.443 -3.584 10.877 414 HB3 GLU 52 3HB GLU 52 -1.068 -3.093 10.126 415 HG2 GLU 52 2HG GLU 52 -1.180 -5.431 10.595 416 HG3 GLU 52 3HG GLU 52 -1.074 -5.218 8.848 417 H ALA 53 H ALA 53 0.189 -4.747 6.934 418 HA ALA 53 HA ALA 53 -1.921 -3.244 5.618 419 HB1 ALA 53 3HB ALA 53 0.108 -2.163 4.773 420 HB2 ALA 53 1HB ALA 53 -0.756 -3.018 3.492 421 HB3 ALA 53 2HB ALA 53 0.699 -3.724 4.197 422 H LEU 54 H LEU 54 -2.967 -4.366 3.908 423 HA LEU 54 HA LEU 54 -2.563 -7.286 3.893 424 HB2 LEU 54 2HB LEU 54 -4.904 -5.608 2.974 425 HB3 LEU 54 3HB LEU 54 -4.820 -7.354 2.843 426 HG LEU 54 HG LEU 54 -4.746 -5.851 5.464 427 HD11 LEU 54 1HD1 LEU 54 -6.885 -5.496 4.373 428 HD12 LEU 54 2HD1 LEU 54 -7.067 -6.591 5.744 429 HD13 LEU 54 3HD1 LEU 54 -7.058 -7.231 4.101 430 HD21 LEU 54 3HD2 LEU 54 -3.675 -8.050 5.542 431 HD22 LEU 54 1HD2 LEU 54 -5.114 -8.789 4.841 432 HD23 LEU 54 2HD2 LEU 54 -5.190 -8.056 6.442 433 H ILE 55 H ILE 55 -2.375 -8.407 1.937 434 HA ILE 55 HA ILE 55 -1.932 -6.776 -0.481 435 HB ILE 55 HB ILE 55 0.230 -7.505 0.475 436 HG12 ILE 55 2HG1 ILE 55 1.132 -8.600 -1.579 437 HG13 ILE 55 3HG1 ILE 55 -0.518 -8.863 -2.134 438 HG21 ILE 55 1HG2 ILE 55 0.844 -9.892 0.472 439 HG22 ILE 55 2HG2 ILE 55 -0.814 -10.307 0.037 440 HG23 ILE 55 3HG2 ILE 55 -0.474 -9.547 1.593 441 HD11 ILE 55 3HD1 ILE 55 0.760 -6.181 -1.636 442 HD12 ILE 55 1HD1 ILE 55 -0.878 -6.456 -2.229 443 HD13 ILE 55 2HD1 ILE 55 0.507 -6.934 -3.211 444 H THR 56 H THR 56 -2.855 -7.541 -2.346 445 HA THR 56 HA THR 56 -4.666 -9.754 -2.266 446 HB THR 56 HB THR 56 -4.927 -9.419 -4.695 447 HG1 THR 56 HG1 THR 56 -3.151 -8.731 -5.631 448 HG21 THR 56 3HG2 THR 56 -4.885 -6.824 -3.146 449 HG22 THR 56 1HG2 THR 56 -6.210 -7.988 -3.187 450 HG23 THR 56 2HG2 THR 56 -5.763 -7.111 -4.649 451 H ARG 57 H ARG 57 -4.492 -11.775 -3.391 452 HA ARG 57 HA ARG 57 -2.036 -13.075 -3.047 453 HB2 ARG 57 2HB ARG 57 -4.264 -14.166 -3.020 454 HB3 ARG 57 3HB ARG 57 -4.355 -13.974 -4.765 455 HG2 ARG 57 2HG ARG 57 -2.471 -15.450 -5.073 456 HG3 ARG 57 3HG ARG 57 -2.238 -15.568 -3.328 457 HD2 ARG 57 2HD ARG 57 -4.423 -16.632 -3.092 458 HD3 ARG 57 3HD ARG 57 -4.695 -16.481 -4.828 459 HE ARG 57 HE ARG 57 -2.624 -17.954 -5.010 460 HH11 ARG 57 1HH1 ARG 57 -4.833 -18.139 -2.366 461 HH12 ARG 57 2HH1 ARG 57 -4.507 -19.808 -2.075 462 HH21 ARG 57 1HH2 ARG 57 -2.225 -20.087 -4.626 463 HH22 ARG 57 2HH2 ARG 57 -3.031 -20.896 -3.327 464 H ASP 58 H ASP 58 -3.029 -11.139 -5.694 465 HA ASP 58 HA ASP 58 -0.836 -12.201 -7.358 466 HB2 ASP 58 2HB ASP 58 -1.994 -10.853 -9.209 467 HB3 ASP 58 3HB ASP 58 -2.794 -12.315 -8.646 468 H ARG 59 H ARG 59 -1.185 -9.945 -5.122 469 HA ARG 59 HA ARG 59 -0.043 -8.106 -4.481 470 HB2 ARG 59 2HB ARG 59 1.853 -8.946 -6.679 471 HB3 ARG 59 3HB ARG 59 2.225 -7.785 -5.409 472 HG2 ARG 59 2HG ARG 59 1.818 -9.597 -3.732 473 HG3 ARG 59 3HG ARG 59 1.652 -10.730 -5.075 474 HD2 ARG 59 2HD ARG 59 3.952 -10.088 -5.812 475 HD3 ARG 59 3HD ARG 59 4.097 -9.102 -4.355 476 HE ARG 59 HE ARG 59 3.571 -11.991 -4.181 477 HH11 ARG 59 1HH1 ARG 59 5.514 -9.262 -3.352 478 HH12 ARG 59 2HH1 ARG 59 6.511 -10.174 -2.274 479 HH21 ARG 59 1HH2 ARG 59 4.860 -13.131 -2.810 480 HH22 ARG 59 2HH2 ARG 59 6.166 -12.338 -1.993 481 H LYS 60 H LYS 60 -2.157 -7.518 -6.282 482 HA LYS 60 HA LYS 60 -1.131 -5.317 -7.928 483 HB2 LYS 60 2HB LYS 60 -3.995 -6.229 -7.578 484 HB3 LYS 60 3HB LYS 60 -3.398 -5.087 -8.774 485 HG2 LYS 60 2HG LYS 60 -2.009 -6.959 -9.724 486 HG3 LYS 60 3HG LYS 60 -2.881 -8.049 -8.640 487 HD2 LYS 60 2HD LYS 60 -4.006 -6.389 -10.899 488 HD3 LYS 60 3HD LYS 60 -3.992 -8.145 -10.747 489 HE2 LYS 60 2HE LYS 60 -5.545 -6.237 -8.982 490 HE3 LYS 60 3HE LYS 60 -6.220 -7.194 -10.298 491 HZ1 LYS 60 3HZ LYS 60 -4.912 -8.339 -7.887 492 HZ2 LYS 60 1HZ LYS 60 -5.683 -9.198 -9.118 493 HZ3 LYS 60 2HZ LYS 60 -6.582 -8.194 -8.104 494 H GLN 61 H GLN 61 -3.082 -5.866 -5.031 495 HA GLN 61 HA GLN 61 -3.218 -2.939 -4.617 496 HB2 GLN 61 2HB GLN 61 -5.362 -4.961 -3.916 497 HB3 GLN 61 3HB GLN 61 -5.436 -3.232 -3.597 498 HG2 GLN 61 2HG GLN 61 -5.495 -2.750 -5.960 499 HG3 GLN 61 3HG GLN 61 -5.259 -4.457 -6.345 500 HE21 GLN 61 1HE2 GLN 61 -6.965 -5.894 -6.035 501 HE22 GLN 61 2HE2 GLN 61 -8.594 -5.358 -5.863 502 H VAL 62 H VAL 62 -2.752 -2.174 -2.629 503 HA VAL 62 HA VAL 62 -2.200 -4.102 -0.451 504 HB VAL 62 HB VAL 62 -0.779 -1.472 -0.975 505 HG11 VAL 62 1HG1 VAL 62 0.729 -2.171 0.850 506 HG12 VAL 62 2HG1 VAL 62 -0.300 -3.572 1.148 507 HG13 VAL 62 3HG1 VAL 62 -0.930 -1.947 1.405 508 HG21 VAL 62 3HG2 VAL 62 -0.137 -3.180 -2.603 509 HG22 VAL 62 1HG2 VAL 62 0.224 -4.309 -1.294 510 HG23 VAL 62 2HG2 VAL 62 1.191 -2.846 -1.490 511 H PHE 63 H PHE 63 -3.684 -3.886 1.139 512 HA PHE 63 HA PHE 63 -5.114 -1.335 1.448 513 HB2 PHE 63 2HB PHE 63 -5.714 -4.088 2.561 514 HB3 PHE 63 3HB PHE 63 -6.693 -2.656 2.861 515 HD1 PHE 63 HD2 PHE 63 -5.544 -5.003 0.244 516 HD2 PHE 63 HD1 PHE 63 -8.262 -1.881 1.253 517 HE1 PHE 63 HE2 PHE 63 -6.818 -5.450 -1.813 518 HE2 PHE 63 HE1 PHE 63 -9.537 -2.324 -0.804 519 HZ PHE 63 HZ PHE 63 -8.817 -4.108 -2.340 520 H ARG 64 H ARG 64 -5.522 -0.461 3.577 521 HA ARG 64 HA ARG 64 -3.108 -0.617 5.229 522 HB2 ARG 64 2HB ARG 64 -3.583 1.596 4.605 523 HB3 ARG 64 3HB ARG 64 -5.306 1.410 4.893 524 HG2 ARG 64 2HG ARG 64 -4.968 1.441 7.276 525 HG3 ARG 64 3HG ARG 64 -3.216 1.442 7.068 526 HD2 ARG 64 2HD ARG 64 -3.187 3.643 6.273 527 HD3 ARG 64 3HD ARG 64 -4.902 3.617 5.862 528 HE ARG 64 HE ARG 64 -5.279 3.563 8.346 529 HH11 ARG 64 1HH1 ARG 64 -2.413 4.987 7.049 530 HH12 ARG 64 2HH1 ARG 64 -2.271 6.120 8.347 531 HH21 ARG 64 1HH2 ARG 64 -5.083 5.042 9.983 532 HH22 ARG 64 2HH2 ARG 64 -3.750 6.149 9.975 533 H ILE 65 H ILE 65 -3.043 -1.360 7.281 534 HA ILE 65 HA ILE 65 -5.606 -2.019 8.603 535 HB ILE 65 HB ILE 65 -2.880 -3.249 9.109 536 HG12 ILE 65 2HG1 ILE 65 -5.351 -4.383 7.760 537 HG13 ILE 65 3HG1 ILE 65 -3.832 -3.975 6.968 538 HG21 ILE 65 1HG2 ILE 65 -4.244 -3.149 11.138 539 HG22 ILE 65 2HG2 ILE 65 -4.079 -4.812 10.577 540 HG23 ILE 65 3HG2 ILE 65 -5.581 -3.931 10.291 541 HD11 ILE 65 3HD1 ILE 65 -4.179 -6.107 9.067 542 HD12 ILE 65 1HD1 ILE 65 -2.694 -5.723 8.197 543 HD13 ILE 65 2HD1 ILE 65 -4.079 -6.375 7.326 544 H GLU 66 H GLU 66 -6.121 -0.913 10.385 545 HA GLU 66 HA GLU 66 -4.038 0.219 12.099 546 HB2 GLU 66 2HB GLU 66 -4.968 2.454 12.070 547 HB3 GLU 66 3HB GLU 66 -4.577 1.974 10.424 548 HG2 GLU 66 2HG GLU 66 -6.966 1.424 10.060 549 HG3 GLU 66 3HG GLU 66 -7.315 2.034 11.678 550 H ASP 67 H ASP 67 -4.735 0.652 14.240 551 HA ASP 67 HA ASP 67 -5.849 0.147 16.161 552 HB2 ASP 67 2HB ASP 67 -7.489 1.745 15.139 553 HB3 ASP 67 3HB ASP 67 -8.333 0.374 14.434 554 H SER 68 H SER 68 -4.991 -1.981 14.320 555 HA SER 68 HA SER 68 -5.064 -4.234 14.036 556 HB2 SER 68 2HB SER 68 -7.025 -4.145 16.340 557 HB3 SER 68 3HB SER 68 -6.396 -5.634 15.641 558 HG SER 68 HG SER 68 -5.000 -3.616 17.050 559 H ILE 69 H ILE 69 -7.356 -2.265 13.067 560 HA ILE 69 HA ILE 69 -9.273 -4.282 12.145 561 HB ILE 69 HB ILE 69 -9.358 -1.265 11.887 562 HG12 ILE 69 2HG1 ILE 69 -9.577 -1.982 14.216 563 HG13 ILE 69 3HG1 ILE 69 -11.122 -1.385 13.616 564 HG21 ILE 69 1HG2 ILE 69 -10.591 -2.316 10.083 565 HG22 ILE 69 2HG2 ILE 69 -11.715 -1.594 11.233 566 HG23 ILE 69 3HG2 ILE 69 -11.456 -3.337 11.231 567 HD11 ILE 69 3HD1 ILE 69 -11.856 -3.715 13.280 568 HD12 ILE 69 1HD1 ILE 69 -11.456 -3.350 14.960 569 HD13 ILE 69 2HD1 ILE 69 -10.325 -4.268 13.964 570 HA PRO 70 HA PRO 70 -7.098 -4.203 8.165 571 HB2 PRO 70 2HB PRO 70 -9.080 -6.187 7.324 572 HB3 PRO 70 3HB PRO 70 -7.335 -6.373 7.517 573 HG2 PRO 70 2HG PRO 70 -9.136 -7.562 9.170 574 HG3 PRO 70 3HG PRO 70 -7.516 -7.069 9.703 575 HD2 PRO 70 2HD PRO 70 -10.151 -5.691 10.114 576 HD3 PRO 70 3HD PRO 70 -8.799 -5.901 11.249 577 H VAL 71 H VAL 71 -7.704 -2.229 7.283 578 HA VAL 71 HA VAL 71 -10.442 -1.618 6.657 579 HB VAL 71 HB VAL 71 -7.996 -0.116 5.695 580 HG11 VAL 71 1HG1 VAL 71 -10.104 0.505 4.615 581 HG12 VAL 71 2HG1 VAL 71 -9.510 1.808 5.643 582 HG13 VAL 71 3HG1 VAL 71 -10.839 0.787 6.194 583 HG21 VAL 71 3HG2 VAL 71 -8.186 1.270 7.715 584 HG22 VAL 71 1HG2 VAL 71 -7.847 -0.412 8.125 585 HG23 VAL 71 2HG2 VAL 71 -9.478 0.228 8.314 586 H LEU 72 H LEU 72 -11.499 -1.838 4.742 587 HA LEU 72 HA LEU 72 -9.993 -2.969 2.457 588 HB2 LEU 72 2HB LEU 72 -12.819 -3.654 3.291 589 HB3 LEU 72 3HB LEU 72 -11.921 -4.381 1.973 590 HG LEU 72 HG LEU 72 -11.257 -4.650 4.916 591 HD11 LEU 72 1HD1 LEU 72 -13.272 -5.882 4.290 592 HD12 LEU 72 2HD1 LEU 72 -11.939 -6.975 4.660 593 HD13 LEU 72 3HD1 LEU 72 -12.392 -6.671 2.979 594 HD21 LEU 72 3HD2 LEU 72 -9.597 -6.297 4.187 595 HD22 LEU 72 1HD2 LEU 72 -9.246 -4.692 3.545 596 HD23 LEU 72 2HD2 LEU 72 -9.964 -5.921 2.501 597 H LEU 73 H LEU 73 -10.410 -0.216 2.654 598 HA LEU 73 HA LEU 73 -12.749 0.355 0.941 599 HB2 LEU 73 2HB LEU 73 -11.180 2.215 2.735 600 HB3 LEU 73 3HB LEU 73 -12.569 2.670 1.765 601 HG LEU 73 HG LEU 73 -12.584 0.738 4.091 602 HD11 LEU 73 1HD1 LEU 73 -12.330 3.063 4.781 603 HD12 LEU 73 2HD1 LEU 73 -13.920 2.444 5.216 604 HD13 LEU 73 3HD1 LEU 73 -13.742 3.512 3.824 605 HD21 LEU 73 3HD2 LEU 73 -14.853 1.702 2.345 606 HD22 LEU 73 1HD2 LEU 73 -15.026 0.732 3.809 607 HD23 LEU 73 2HD2 LEU 73 -14.200 0.065 2.402 608 HA PRO 74 HA PRO 74 -9.884 1.046 -2.432 609 HB2 PRO 74 2HB PRO 74 -11.589 2.736 -3.868 610 HB3 PRO 74 3HB PRO 74 -11.534 0.976 -3.996 611 HG2 PRO 74 2HG PRO 74 -13.391 2.709 -2.418 612 HG3 PRO 74 3HG PRO 74 -13.738 1.217 -3.312 613 HD2 PRO 74 2HD PRO 74 -13.529 1.211 -0.644 614 HD3 PRO 74 3HD PRO 74 -12.897 -0.142 -1.610 615 H GLU 75 H GLU 75 -11.546 3.672 -0.752 616 HA GLU 75 HA GLU 75 -10.060 5.812 -1.827 617 HB2 GLU 75 2HB GLU 75 -10.928 7.129 0.069 618 HB3 GLU 75 3HB GLU 75 -12.190 6.184 -0.708 619 HG2 GLU 75 2HG GLU 75 -12.182 4.578 1.073 620 HG3 GLU 75 3HG GLU 75 -10.766 5.328 1.809 621 H GLU 76 H GLU 76 -9.109 3.440 0.475 622 HA GLU 76 HA GLU 76 -6.761 5.093 1.156 623 HB2 GLU 76 2HB GLU 76 -6.516 3.616 3.182 624 HB3 GLU 76 3HB GLU 76 -7.898 4.697 3.190 625 HG2 GLU 76 2HG GLU 76 -8.718 2.692 4.050 626 HG3 GLU 76 3HG GLU 76 -9.265 2.708 2.376 627 H ALA 77 H ALA 77 -7.838 2.165 -0.278 628 HA ALA 77 HA ALA 77 -5.611 0.515 -0.074 629 HB1 ALA 77 3HB ALA 77 -6.474 -0.641 -2.032 630 HB2 ALA 77 1HB ALA 77 -7.523 0.729 -2.401 631 HB3 ALA 77 2HB ALA 77 -7.785 -0.213 -0.932 632 H ILE 78 H ILE 78 -3.666 0.438 -0.988 633 HA ILE 78 HA ILE 78 -2.816 2.535 -2.835 634 HB ILE 78 HB ILE 78 -1.212 0.417 -1.372 635 HG12 ILE 78 2HG1 ILE 78 -0.274 2.521 -0.204 636 HG13 ILE 78 3HG1 ILE 78 -1.673 3.361 -0.858 637 HG21 ILE 78 1HG2 ILE 78 0.784 1.680 -2.109 638 HG22 ILE 78 2HG2 ILE 78 -0.252 2.681 -3.126 639 HG23 ILE 78 3HG2 ILE 78 -0.101 0.954 -3.450 640 HD11 ILE 78 3HD1 ILE 78 -2.008 2.664 1.452 641 HD12 ILE 78 1HD1 ILE 78 -1.768 0.982 0.985 642 HD13 ILE 78 2HD1 ILE 78 -3.155 1.878 0.367 643 H ALA 79 H ALA 79 -2.224 2.194 -4.937 644 HA ALA 79 HA ALA 79 -2.587 -0.497 -6.058 645 HB1 ALA 79 3HB ALA 79 -3.776 1.343 -7.145 646 HB2 ALA 79 1HB ALA 79 -2.590 0.626 -8.236 647 HB3 ALA 79 2HB ALA 79 -2.246 2.165 -7.449 648 H THR 80 H THR 80 -0.856 -1.769 -6.435 649 HA THR 80 HA THR 80 1.789 -0.970 -5.887 650 HB THR 80 HB THR 80 2.495 -3.136 -6.851 651 HG1 THR 80 HG1 THR 80 0.780 -4.524 -7.641 652 HG21 THR 80 3HG2 THR 80 1.240 -4.579 -5.312 653 HG22 THR 80 1HG2 THR 80 0.021 -3.322 -5.119 654 HG23 THR 80 2HG2 THR 80 1.665 -3.052 -4.542 655 H ILE 81 H ILE 81 0.018 -1.098 -8.920 656 HA ILE 81 HA ILE 81 2.137 -0.779 -10.730 657 HB ILE 81 HB ILE 81 -0.148 -1.348 -11.427 658 HG12 ILE 81 2HG1 ILE 81 -0.312 0.132 -13.421 659 HG13 ILE 81 3HG1 ILE 81 0.869 1.217 -12.691 660 HG21 ILE 81 1HG2 ILE 81 -0.840 1.510 -10.751 661 HG22 ILE 81 2HG2 ILE 81 -1.388 0.072 -9.889 662 HG23 ILE 81 3HG2 ILE 81 -1.903 0.354 -11.554 663 HD11 ILE 81 3HD1 ILE 81 1.859 -0.240 -14.385 664 HD12 ILE 81 1HD1 ILE 81 1.370 -1.655 -13.452 665 HD13 ILE 81 2HD1 ILE 81 2.557 -0.526 -12.790 666 H GLN 82 H GLN 82 0.745 1.477 -8.511 667 HA GLN 82 HA GLN 82 1.847 3.829 -9.807 668 HB2 GLN 82 2HB GLN 82 -0.243 4.053 -8.584 669 HB3 GLN 82 3HB GLN 82 0.505 3.436 -7.120 670 HG2 GLN 82 2HG GLN 82 0.239 5.825 -6.966 671 HG3 GLN 82 3HG GLN 82 1.952 5.419 -7.031 672 HE21 GLN 82 1HE2 GLN 82 2.511 7.477 -7.735 673 HE22 GLN 82 2HE2 GLN 82 2.157 8.037 -9.336 674 H ILE 83 H ILE 83 2.815 1.520 -7.398 675 HA ILE 83 HA ILE 83 4.775 3.113 -6.074 676 HB ILE 83 HB ILE 83 4.647 0.089 -6.284 677 HG12 ILE 83 2HG1 ILE 83 2.567 1.030 -5.368 678 HG13 ILE 83 3HG1 ILE 83 3.470 0.172 -4.125 679 HG21 ILE 83 1HG2 ILE 83 5.981 0.082 -4.237 680 HG22 ILE 83 2HG2 ILE 83 6.048 1.844 -4.257 681 HG23 ILE 83 3HG2 ILE 83 6.832 0.917 -5.537 682 HD11 ILE 83 3HD1 ILE 83 3.395 3.159 -4.491 683 HD12 ILE 83 1HD1 ILE 83 4.274 2.290 -3.232 684 HD13 ILE 83 2HD1 ILE 83 2.512 2.236 -3.274 685 H ALA 84 H ALA 84 6.206 4.078 -7.454 686 HA ALA 84 HA ALA 84 7.418 2.868 -9.697 687 HB1 ALA 84 3HB ALA 84 8.868 4.821 -9.743 688 HB2 ALA 84 1HB ALA 84 8.377 5.244 -8.103 689 HB3 ALA 84 2HB ALA 84 7.200 5.291 -9.415 690 H ASN 85 H ASN 85 7.903 1.916 -6.620 691 HA ASN 85 HA ASN 85 10.729 1.201 -7.072 692 HB2 ASN 85 2HB ASN 85 9.188 1.472 -4.480 693 HB3 ASN 85 3HB ASN 85 10.818 0.815 -4.591 694 HD21 ASN 85 1HD2 ASN 85 8.873 3.680 -4.858 695 HD22 ASN 85 2HD2 ASN 85 10.179 4.807 -4.857 696 H PHE 86 H PHE 86 7.649 -0.056 -7.218 697 HA PHE 86 HA PHE 86 7.985 -2.622 -6.075 698 HB2 PHE 86 2HB PHE 86 5.820 -1.338 -6.843 699 HB3 PHE 86 3HB PHE 86 6.130 -2.120 -8.387 700 HD1 PHE 86 HD1 PHE 86 5.429 -2.706 -4.829 701 HD2 PHE 86 HD2 PHE 86 5.639 -4.437 -8.712 702 HE1 PHE 86 HE1 PHE 86 4.322 -4.741 -3.980 703 HE2 PHE 86 HE2 PHE 86 4.535 -6.472 -7.874 704 HZ PHE 86 HZ PHE 86 3.874 -6.626 -5.503 705 HA PRO 87 HA PRO 87 10.728 -4.249 -9.226 706 HB2 PRO 87 2HB PRO 87 10.838 -6.817 -8.344 707 HB3 PRO 87 3HB PRO 87 11.671 -5.490 -7.525 708 HG2 PRO 87 2HG PRO 87 9.036 -6.768 -6.862 709 HG3 PRO 87 3HG PRO 87 10.370 -6.331 -5.775 710 HD2 PRO 87 2HD PRO 87 8.168 -4.780 -6.058 711 HD3 PRO 87 3HD PRO 87 9.775 -4.094 -5.737 712 H ASP 88 H ASP 88 10.742 -5.825 -10.967 713 HA ASP 88 HA ASP 88 8.342 -5.979 -12.387 714 HB2 ASP 88 2HB ASP 88 10.910 -7.548 -12.738 715 HB3 ASP 88 3HB ASP 88 9.611 -7.485 -13.925 716 H LYS 89 H LYS 89 6.608 -7.204 -11.986 717 HA LYS 89 HA LYS 89 7.013 -10.078 -11.441 718 HB2 LYS 89 2HB LYS 89 4.951 -8.236 -10.206 719 HB3 LYS 89 3HB LYS 89 4.781 -9.987 -10.198 720 HG2 LYS 89 2HG LYS 89 7.073 -8.460 -8.962 721 HG3 LYS 89 3HG LYS 89 5.684 -9.103 -8.085 722 HD2 LYS 89 2HD LYS 89 7.672 -10.748 -9.669 723 HD3 LYS 89 3HD LYS 89 7.664 -10.572 -7.913 724 HE2 LYS 89 2HE LYS 89 5.476 -11.640 -7.793 725 HE3 LYS 89 3HE LYS 89 5.408 -11.746 -9.552 726 HZ1 LYS 89 3HZ LYS 89 7.415 -13.097 -7.829 727 HZ2 LYS 89 1HZ LYS 89 7.309 -13.219 -9.513 728 HZ3 LYS 89 2HZ LYS 89 6.074 -13.844 -8.542 729 H LEU 90 H LEU 90 6.770 -10.640 -13.618 730 HA LEU 90 HA LEU 90 4.282 -9.820 -14.964 731 HB2 LEU 90 2HB LEU 90 6.860 -10.954 -16.060 732 HB3 LEU 90 3HB LEU 90 5.419 -10.730 -17.031 733 HG LEU 90 HG LEU 90 5.541 -8.261 -16.470 734 HD11 LEU 90 1HD1 LEU 90 6.939 -8.373 -14.491 735 HD12 LEU 90 2HD1 LEU 90 7.713 -7.385 -15.729 736 HD13 LEU 90 3HD1 LEU 90 8.271 -9.033 -15.440 737 HD21 LEU 90 3HD2 LEU 90 7.278 -7.809 -18.127 738 HD22 LEU 90 1HD2 LEU 90 6.268 -9.168 -18.624 739 HD23 LEU 90 2HD2 LEU 90 7.878 -9.460 -17.965 740 H GLU 91 H GLU 91 2.682 -11.223 -14.477 741 HA GLU 91 HA GLU 91 3.195 -14.111 -14.630 742 HB2 GLU 91 2HB GLU 91 1.745 -12.706 -12.813 743 HB3 GLU 91 3HB GLU 91 0.472 -13.120 -13.949 744 HG2 GLU 91 2HG GLU 91 2.328 -15.141 -12.698 745 HG3 GLU 91 3HG GLU 91 0.763 -14.701 -12.025 746 H HIS 92 H HIS 92 2.105 -15.441 -16.139 747 HA HIS 92 HA HIS 92 0.790 -14.036 -18.372 748 HB2 HIS 92 2HB HIS 92 3.272 -14.148 -18.719 749 HB3 HIS 92 3HB HIS 92 3.157 -15.902 -18.690 750 HD1 HIS 92 HD1 HIS 92 2.068 -12.936 -20.775 751 HD2 HIS 92 HD2 HIS 92 2.532 -17.052 -21.110 752 HE1 HIS 92 HE1 HIS 92 1.715 -13.460 -23.202 753 HE2 HIS 92 HE2 HIS 92 2.153 -15.923 -23.405 754 H HIS 93 H HIS 93 -0.265 -15.943 -16.363 755 HA HIS 93 HA HIS 93 -0.536 -18.535 -17.248 756 HB2 HIS 93 2HB HIS 93 -2.609 -18.680 -15.993 757 HB3 HIS 93 3HB HIS 93 -1.447 -17.708 -15.102 758 HD1 HIS 93 HD1 HIS 93 -2.024 -15.229 -14.726 759 HD2 HIS 93 HD2 HIS 93 -4.893 -17.298 -16.900 760 HE1 HIS 93 HE1 HIS 93 -4.032 -13.727 -14.785 761 HE2 HIS 93 HE2 HIS 93 -5.804 -15.072 -15.962 762 H HIS 94 H HIS 94 -1.283 -19.447 -19.040 763 HA HIS 94 HA HIS 94 -2.515 -18.051 -21.139 764 HB2 HIS 94 2HB HIS 94 -2.962 -20.327 -22.110 765 HB3 HIS 94 3HB HIS 94 -1.289 -20.036 -21.650 766 HD1 HIS 94 HD1 HIS 94 -4.155 -22.275 -21.008 767 HD2 HIS 94 HD2 HIS 94 -0.448 -21.477 -19.308 768 HE1 HIS 94 HE1 HIS 94 -3.685 -24.205 -19.477 769 HE2 HIS 94 HE2 HIS 94 -1.383 -23.770 -18.569 770 H HIS 95 H HIS 95 -4.456 -17.131 -21.026 771 HA HIS 95 HA HIS 95 -6.560 -17.849 -19.339 772 HB2 HIS 95 2HB HIS 95 -7.985 -16.399 -20.764 773 HB3 HIS 95 3HB HIS 95 -6.459 -15.636 -20.328 774 HD1 HIS 95 HD1 HIS 95 -5.387 -14.457 -22.228 775 HD2 HIS 95 HD2 HIS 95 -7.731 -17.633 -23.534 776 HE1 HIS 95 HE1 HIS 95 -5.245 -14.415 -24.730 777 HE2 HIS 95 HE2 HIS 95 -6.554 -16.416 -25.492 778 H HIS 96 H HIS 96 -8.571 -18.875 -19.711 779 HA HIS 96 HA HIS 96 -8.463 -21.290 -21.136 780 HB2 HIS 96 2HB HIS 96 -10.855 -19.792 -20.039 781 HB3 HIS 96 3HB HIS 96 -10.908 -21.454 -20.629 782 HD1 HIS 96 HD1 HIS 96 -10.364 -19.525 -17.624 783 HD2 HIS 96 HD2 HIS 96 -9.108 -23.213 -19.059 784 HE1 HIS 96 HE1 HIS 96 -9.552 -20.783 -15.612 785 HE2 HIS 96 HE2 HIS 96 -8.623 -22.931 -16.537 786 H HIS 97 H HIS 97 -9.946 -22.027 -22.846 787 HA HIS 97 HA HIS 97 -10.460 -19.937 -24.882 788 HB2 HIS 97 2HB HIS 97 -9.399 -22.746 -25.276 789 HB3 HIS 97 3HB HIS 97 -9.967 -21.729 -26.594 790 HD1 HIS 97 HD1 HIS 97 -8.299 -20.200 -27.617 791 HD2 HIS 97 HD2 HIS 97 -7.047 -21.632 -23.921 792 HE1 HIS 97 HE1 HIS 97 -5.924 -19.437 -27.373 793 HE2 HIS 97 HE2 HIS 97 -5.127 -20.510 -25.245 Start of MODEL 8 1 H1 MET 1 1H MET 1 8.141 -16.402 -8.888 2 H2 MET 1 2H MET 1 8.121 -17.413 -10.244 3 H3 MET 1 3H MET 1 8.518 -18.045 -8.729 4 HA MET 1 HA MET 1 6.294 -17.573 -7.916 5 HB2 MET 1 2HB MET 1 5.850 -16.690 -10.775 6 HB3 MET 1 3HB MET 1 4.555 -16.962 -9.616 7 HG2 MET 1 2HG MET 1 5.414 -15.189 -8.197 8 HG3 MET 1 3HG MET 1 6.774 -14.947 -9.290 9 HE1 MET 1 3HE MET 1 2.885 -14.663 -8.837 10 HE2 MET 1 1HE MET 1 2.989 -15.652 -10.292 11 HE3 MET 1 2HE MET 1 2.385 -13.998 -10.391 12 H ASP 2 H ASP 2 4.166 -18.774 -9.243 13 HA ASP 2 HA ASP 2 5.184 -21.491 -9.253 14 HB2 ASP 2 2HB ASP 2 3.012 -20.576 -8.095 15 HB3 ASP 2 3HB ASP 2 2.290 -20.813 -9.682 16 H ARG 3 H ARG 3 4.475 -23.082 -10.853 17 HA ARG 3 HA ARG 3 4.562 -21.935 -13.568 18 HB2 ARG 3 2HB ARG 3 5.619 -23.974 -14.282 19 HB3 ARG 3 3HB ARG 3 6.461 -23.382 -12.857 20 HG2 ARG 3 2HG ARG 3 5.069 -25.002 -11.506 21 HG3 ARG 3 3HG ARG 3 4.542 -25.695 -13.041 22 HD2 ARG 3 2HD ARG 3 7.294 -25.652 -11.837 23 HD3 ARG 3 3HD ARG 3 6.343 -27.041 -12.365 24 HE ARG 3 HE ARG 3 7.811 -25.170 -14.083 25 HH11 ARG 3 1HH1 ARG 3 5.921 -28.039 -13.790 26 HH12 ARG 3 2HH1 ARG 3 6.429 -28.648 -15.324 27 HH21 ARG 3 1HH2 ARG 3 8.445 -25.956 -16.028 28 HH22 ARG 3 2HH2 ARG 3 7.820 -27.468 -16.592 29 H LYS 4 H LYS 4 2.776 -24.187 -11.507 30 HA LYS 4 HA LYS 4 1.217 -25.322 -13.630 31 HB2 LYS 4 2HB LYS 4 0.045 -26.518 -11.972 32 HB3 LYS 4 3HB LYS 4 1.672 -26.353 -11.323 33 HG2 LYS 4 2HG LYS 4 0.871 -24.425 -9.959 34 HG3 LYS 4 3HG LYS 4 -0.763 -24.751 -10.534 35 HD2 LYS 4 2HD LYS 4 -0.570 -25.782 -8.399 36 HD3 LYS 4 3HD LYS 4 -0.513 -27.082 -9.591 37 HE2 LYS 4 2HE LYS 4 1.169 -27.460 -7.892 38 HE3 LYS 4 3HE LYS 4 1.957 -27.086 -9.424 39 HZ1 LYS 4 3HZ LYS 4 2.298 -24.819 -8.652 40 HZ2 LYS 4 1HZ LYS 4 2.990 -25.918 -7.572 41 HZ3 LYS 4 2HZ LYS 4 1.525 -25.165 -7.196 42 H LEU 5 H LEU 5 0.891 -22.561 -11.511 43 HA LEU 5 HA LEU 5 -1.804 -21.931 -11.861 44 HB2 LEU 5 2HB LEU 5 0.649 -20.399 -11.168 45 HB3 LEU 5 3HB LEU 5 -0.748 -19.464 -11.652 46 HG LEU 5 HG LEU 5 -0.605 -19.673 -9.213 47 HD11 LEU 5 1HD1 LEU 5 -2.938 -21.205 -10.368 48 HD12 LEU 5 2HD1 LEU 5 -2.809 -19.449 -10.260 49 HD13 LEU 5 3HD1 LEU 5 -2.888 -20.420 -8.789 50 HD21 LEU 5 3HD2 LEU 5 -0.920 -21.813 -8.103 51 HD22 LEU 5 1HD2 LEU 5 0.520 -21.858 -9.120 52 HD23 LEU 5 2HD2 LEU 5 -0.965 -22.639 -9.661 53 H LEU 6 H LEU 6 0.793 -21.695 -14.141 54 HA LEU 6 HA LEU 6 -0.504 -19.879 -15.950 55 HB2 LEU 6 2HB LEU 6 1.684 -21.903 -16.477 56 HB3 LEU 6 3HB LEU 6 1.210 -20.604 -17.558 57 HG LEU 6 HG LEU 6 2.432 -20.236 -14.813 58 HD11 LEU 6 1HD1 LEU 6 4.406 -19.449 -16.028 59 HD12 LEU 6 2HD1 LEU 6 3.631 -19.863 -17.558 60 HD13 LEU 6 3HD1 LEU 6 4.039 -21.131 -16.403 61 HD21 LEU 6 3HD2 LEU 6 0.924 -18.408 -15.384 62 HD22 LEU 6 1HD2 LEU 6 1.729 -18.209 -16.941 63 HD23 LEU 6 2HD2 LEU 6 2.602 -17.872 -15.446 64 H HIS 7 H HIS 7 -0.597 -23.316 -15.385 65 HA HIS 7 HA HIS 7 -2.023 -23.851 -17.891 66 HB2 HIS 7 2HB HIS 7 -1.057 -25.740 -15.724 67 HB3 HIS 7 3HB HIS 7 -1.813 -26.233 -17.235 68 HD1 HIS 7 HD1 HIS 7 -0.255 -26.685 -19.123 69 HD2 HIS 7 HD2 HIS 7 1.510 -24.331 -16.187 70 HE1 HIS 7 HE1 HIS 7 2.139 -26.426 -19.820 71 HE2 HIS 7 HE2 HIS 7 3.207 -25.072 -17.996 72 H LEU 8 H LEU 8 -2.694 -23.278 -14.570 73 HA LEU 8 HA LEU 8 -5.195 -24.692 -14.450 74 HB2 LEU 8 2HB LEU 8 -4.042 -22.543 -12.666 75 HB3 LEU 8 3HB LEU 8 -5.520 -23.426 -12.326 76 HG LEU 8 HG LEU 8 -2.746 -24.622 -12.512 77 HD11 LEU 8 1HD1 LEU 8 -2.978 -24.998 -10.111 78 HD12 LEU 8 2HD1 LEU 8 -4.546 -24.187 -10.128 79 HD13 LEU 8 3HD1 LEU 8 -3.079 -23.280 -10.497 80 HD21 LEU 8 3HD2 LEU 8 -4.426 -26.199 -13.298 81 HD22 LEU 8 1HD2 LEU 8 -5.393 -25.923 -11.848 82 HD23 LEU 8 2HD2 LEU 8 -3.810 -26.691 -11.721 83 H LEU 9 H LEU 9 -7.278 -23.668 -14.102 84 HA LEU 9 HA LEU 9 -8.036 -21.816 -16.060 85 HB2 LEU 9 2HB LEU 9 -9.439 -23.528 -14.729 86 HB3 LEU 9 3HB LEU 9 -9.565 -22.291 -13.499 87 HG LEU 9 HG LEU 9 -10.501 -21.858 -16.345 88 HD11 LEU 9 1HD1 LEU 9 -11.721 -23.751 -15.411 89 HD12 LEU 9 2HD1 LEU 9 -12.767 -22.337 -15.538 90 HD13 LEU 9 3HD1 LEU 9 -12.108 -22.809 -13.971 91 HD21 LEU 9 3HD2 LEU 9 -11.867 -20.082 -15.323 92 HD22 LEU 9 1HD2 LEU 9 -10.142 -19.808 -15.076 93 HD23 LEU 9 2HD2 LEU 9 -11.133 -20.430 -13.756 94 H CYS 10 H CYS 10 -8.257 -19.603 -16.083 95 HA CYS 10 HA CYS 10 -6.721 -18.142 -14.130 96 HB2 CYS 10 2HB CYS 10 -7.121 -16.198 -15.587 97 HB3 CYS 10 3HB CYS 10 -6.563 -17.590 -16.510 98 HG CYS 10 HG CYS 10 -9.867 -17.532 -16.406 99 H SER 11 H SER 11 -7.418 -16.863 -12.513 100 HA SER 11 HA SER 11 -10.300 -16.753 -11.975 101 HB2 SER 11 2HB SER 11 -7.934 -16.088 -10.194 102 HB3 SER 11 3HB SER 11 -9.624 -16.035 -9.694 103 HG SER 11 HG SER 11 -8.282 -18.350 -10.664 104 HA PRO 12 HA PRO 12 -10.986 -12.515 -13.094 105 HB2 PRO 12 2HB PRO 12 -12.081 -12.229 -10.317 106 HB3 PRO 12 3HB PRO 12 -12.787 -11.725 -11.860 107 HG2 PRO 12 2HG PRO 12 -13.666 -13.917 -10.651 108 HG3 PRO 12 3HG PRO 12 -13.445 -13.895 -12.411 109 HD2 PRO 12 2HD PRO 12 -11.754 -15.176 -10.303 110 HD3 PRO 12 3HD PRO 12 -12.114 -15.729 -11.951 111 H ASP 13 H ASP 13 -9.201 -11.272 -13.242 112 HA ASP 13 HA ASP 13 -7.179 -10.915 -11.387 113 HB2 ASP 13 2HB ASP 13 -8.102 -9.012 -13.558 114 HB3 ASP 13 3HB ASP 13 -6.563 -8.889 -12.711 115 H THR 14 H THR 14 -10.228 -9.214 -11.621 116 HA THR 14 HA THR 14 -9.500 -7.077 -9.826 117 HB THR 14 HB THR 14 -11.913 -6.486 -9.912 118 HG1 THR 14 HG1 THR 14 -13.349 -7.808 -10.856 119 HG21 THR 14 3HG2 THR 14 -10.386 -5.657 -11.664 120 HG22 THR 14 1HG2 THR 14 -12.011 -5.933 -12.291 121 HG23 THR 14 2HG2 THR 14 -10.727 -7.093 -12.630 122 H ARG 15 H ARG 15 -11.065 -10.212 -9.508 123 HA ARG 15 HA ARG 15 -11.657 -9.634 -6.671 124 HB2 ARG 15 2HB ARG 15 -13.643 -10.089 -8.087 125 HB3 ARG 15 3HB ARG 15 -12.984 -11.669 -8.483 126 HG2 ARG 15 2HG ARG 15 -13.130 -12.334 -6.138 127 HG3 ARG 15 3HG ARG 15 -13.752 -10.737 -5.717 128 HD2 ARG 15 2HD ARG 15 -15.581 -12.323 -5.879 129 HD3 ARG 15 3HD ARG 15 -15.701 -11.127 -7.169 130 HE ARG 15 HE ARG 15 -14.366 -13.613 -7.858 131 HH11 ARG 15 1HH1 ARG 15 -17.315 -11.814 -7.884 132 HH12 ARG 15 2HH1 ARG 15 -18.016 -12.792 -9.125 133 HH21 ARG 15 1HH2 ARG 15 -15.283 -14.852 -9.450 134 HH22 ARG 15 2HH2 ARG 15 -16.885 -14.489 -10.000 135 H GLN 16 H GLN 16 -9.825 -10.337 -5.653 136 HA GLN 16 HA GLN 16 -9.201 -13.210 -5.866 137 HB2 GLN 16 2HB GLN 16 -7.142 -11.004 -5.601 138 HB3 GLN 16 3HB GLN 16 -6.810 -12.728 -5.646 139 HG2 GLN 16 2HG GLN 16 -7.771 -12.772 -7.955 140 HG3 GLN 16 3HG GLN 16 -7.866 -11.013 -7.886 141 HE21 GLN 16 1HE2 GLN 16 -6.343 -12.679 -9.689 142 HE22 GLN 16 2HE2 GLN 16 -4.687 -12.238 -9.487 143 HA PRO 17 HA PRO 17 -9.410 -13.454 -1.410 144 HB2 PRO 17 2HB PRO 17 -6.765 -14.838 -1.585 145 HB3 PRO 17 3HB PRO 17 -8.248 -15.343 -0.768 146 HG2 PRO 17 2HG PRO 17 -7.541 -16.469 -3.066 147 HG3 PRO 17 3HG PRO 17 -9.240 -16.079 -2.740 148 HD2 PRO 17 2HD PRO 17 -7.271 -14.652 -4.487 149 HD3 PRO 17 3HD PRO 17 -9.008 -14.929 -4.737 150 H LEU 18 H LEU 18 -8.889 -12.025 0.136 151 HA LEU 18 HA LEU 18 -6.637 -10.225 -0.274 152 HB2 LEU 18 2HB LEU 18 -8.943 -9.419 0.254 153 HB3 LEU 18 3HB LEU 18 -8.815 -10.169 1.829 154 HG LEU 18 HG LEU 18 -8.425 -7.621 1.612 155 HD11 LEU 18 1HD1 LEU 18 -6.788 -7.614 3.413 156 HD12 LEU 18 2HD1 LEU 18 -6.410 -9.306 3.098 157 HD13 LEU 18 3HD1 LEU 18 -8.016 -8.851 3.673 158 HD21 LEU 18 3HD2 LEU 18 -6.134 -6.944 1.119 159 HD22 LEU 18 1HD2 LEU 18 -6.878 -7.715 -0.280 160 HD23 LEU 18 2HD2 LEU 18 -5.717 -8.606 0.705 161 H SER 19 H SER 19 -4.731 -10.493 0.708 162 HA SER 19 HA SER 19 -4.555 -12.356 3.006 163 HB2 SER 19 2HB SER 19 -2.505 -11.900 0.823 164 HB3 SER 19 3HB SER 19 -2.380 -13.062 2.143 165 HG SER 19 HG SER 19 -4.652 -13.623 1.033 166 H LEU 20 H LEU 20 -2.299 -12.121 4.116 167 HA LEU 20 HA LEU 20 -1.978 -9.363 4.985 168 HB2 LEU 20 2HB LEU 20 -1.998 -11.457 6.478 169 HB3 LEU 20 3HB LEU 20 -0.385 -11.775 5.883 170 HG LEU 20 HG LEU 20 -0.514 -10.686 8.150 171 HD11 LEU 20 1HD1 LEU 20 1.540 -10.599 6.846 172 HD12 LEU 20 2HD1 LEU 20 1.310 -9.116 7.770 173 HD13 LEU 20 3HD1 LEU 20 0.981 -9.134 6.037 174 HD21 LEU 20 3HD2 LEU 20 -2.388 -9.177 7.703 175 HD22 LEU 20 1HD2 LEU 20 -1.389 -8.265 6.570 176 HD23 LEU 20 2HD2 LEU 20 -0.974 -8.299 8.284 177 H LEU 21 H LEU 21 -0.165 -8.058 4.575 178 HA LEU 21 HA LEU 21 1.277 -8.737 2.167 179 HB2 LEU 21 2HB LEU 21 0.429 -6.487 2.451 180 HB3 LEU 21 3HB LEU 21 1.378 -6.273 3.910 181 HG LEU 21 HG LEU 21 3.458 -6.392 2.583 182 HD11 LEU 21 1HD1 LEU 21 3.372 -6.341 0.143 183 HD12 LEU 21 2HD1 LEU 21 1.620 -6.544 0.192 184 HD13 LEU 21 3HD1 LEU 21 2.674 -7.834 0.774 185 HD21 LEU 21 3HD2 LEU 21 1.483 -4.369 1.520 186 HD22 LEU 21 1HD2 LEU 21 3.242 -4.241 1.452 187 HD23 LEU 21 2HD2 LEU 21 2.415 -4.215 3.011 188 H GLU 22 H GLU 22 3.272 -9.482 1.953 189 HA GLU 22 HA GLU 22 4.944 -10.342 4.019 190 HB2 GLU 22 2HB GLU 22 5.131 -11.203 1.754 191 HB3 GLU 22 3HB GLU 22 5.574 -9.616 1.146 192 HG2 GLU 22 2HG GLU 22 7.517 -11.037 1.266 193 HG3 GLU 22 3HG GLU 22 7.665 -9.713 2.418 194 H SER 23 H SER 23 6.695 -9.426 5.101 195 HA SER 23 HA SER 23 6.633 -6.646 5.541 196 HB2 SER 23 2HB SER 23 8.681 -6.966 6.890 197 HB3 SER 23 3HB SER 23 7.452 -8.173 7.256 198 HG SER 23 HG SER 23 8.730 -9.691 6.561 199 H LYS 24 H LYS 24 8.707 -8.564 3.405 200 HA LYS 24 HA LYS 24 10.520 -6.605 2.601 201 HB2 LYS 24 2HB LYS 24 9.405 -9.064 1.374 202 HB3 LYS 24 3HB LYS 24 10.114 -7.917 0.252 203 HG2 LYS 24 2HG LYS 24 11.663 -8.771 2.668 204 HG3 LYS 24 3HG LYS 24 11.561 -9.833 1.265 205 HD2 LYS 24 2HD LYS 24 13.553 -8.562 1.010 206 HD3 LYS 24 3HD LYS 24 12.387 -7.899 -0.133 207 HE2 LYS 24 2HE LYS 24 13.549 -6.080 0.921 208 HE3 LYS 24 3HE LYS 24 11.888 -6.094 1.510 209 HZ1 LYS 24 3HZ LYS 24 12.702 -7.272 3.505 210 HZ2 LYS 24 1HZ LYS 24 13.372 -5.730 3.331 211 HZ3 LYS 24 2HZ LYS 24 14.285 -7.095 2.942 212 H GLY 25 H GLY 25 7.223 -7.194 1.408 213 HA2 GLY 25 2HA GLY 25 7.243 -4.961 -0.401 214 HA3 GLY 25 3HA GLY 25 5.830 -5.866 0.127 215 H LEU 26 H LEU 26 6.142 -5.484 2.911 216 HA LEU 26 HA LEU 26 4.586 -3.235 3.330 217 HB2 LEU 26 2HB LEU 26 4.775 -5.111 4.895 218 HB3 LEU 26 3HB LEU 26 6.419 -4.643 5.278 219 HG LEU 26 HG LEU 26 5.567 -2.522 6.245 220 HD11 LEU 26 1HD1 LEU 26 3.504 -2.330 4.959 221 HD12 LEU 26 2HD1 LEU 26 3.181 -2.276 6.691 222 HD13 LEU 26 3HD1 LEU 26 2.849 -3.749 5.779 223 HD21 LEU 26 3HD2 LEU 26 6.019 -4.429 7.686 224 HD22 LEU 26 1HD2 LEU 26 4.393 -5.052 7.407 225 HD23 LEU 26 2HD2 LEU 26 4.619 -3.533 8.274 226 H GLU 27 H GLU 27 8.101 -3.559 3.968 227 HA GLU 27 HA GLU 27 8.468 -0.865 4.739 228 HB2 GLU 27 2HB GLU 27 10.859 -1.263 4.441 229 HB3 GLU 27 3HB GLU 27 10.099 -2.600 5.290 230 HG2 GLU 27 2HG GLU 27 10.109 -3.930 3.253 231 HG3 GLU 27 3HG GLU 27 10.809 -2.581 2.359 232 H ALA 28 H ALA 28 8.396 -2.413 1.583 233 HA ALA 28 HA ALA 28 9.562 -0.290 0.093 234 HB1 ALA 28 3HB ALA 28 7.603 -2.404 -0.815 235 HB2 ALA 28 1HB ALA 28 9.360 -2.553 -0.812 236 HB3 ALA 28 2HB ALA 28 8.578 -1.378 -1.870 237 H LEU 29 H LEU 29 6.212 -1.058 1.000 238 HA LEU 29 HA LEU 29 4.942 1.079 -0.317 239 HB2 LEU 29 2HB LEU 29 4.263 -0.574 2.094 240 HB3 LEU 29 3HB LEU 29 3.297 0.843 1.738 241 HG LEU 29 HG LEU 29 2.224 -1.148 0.857 242 HD11 LEU 29 1HD1 LEU 29 3.347 0.536 -1.381 243 HD12 LEU 29 2HD1 LEU 29 1.965 0.958 -0.368 244 HD13 LEU 29 3HD1 LEU 29 1.880 -0.443 -1.435 245 HD21 LEU 29 3HD2 LEU 29 4.740 -1.547 -0.770 246 HD22 LEU 29 1HD2 LEU 29 3.242 -2.465 -0.950 247 HD23 LEU 29 2HD2 LEU 29 4.167 -2.573 0.546 248 H ASN 30 H ASN 30 6.224 0.905 3.018 249 HA ASN 30 HA ASN 30 5.609 3.534 3.777 250 HB2 ASN 30 2HB ASN 30 7.751 1.626 4.706 251 HB3 ASN 30 3HB ASN 30 7.568 3.229 5.412 252 HD21 ASN 30 1HD2 ASN 30 6.172 0.064 5.109 253 HD22 ASN 30 2HD2 ASN 30 4.975 0.269 6.337 254 H LYS 31 H LYS 31 8.604 2.277 2.289 255 HA LYS 31 HA LYS 31 10.050 4.666 2.172 256 HB2 LYS 31 2HB LYS 31 10.010 2.338 0.239 257 HB3 LYS 31 3HB LYS 31 11.212 3.624 0.210 258 HG2 LYS 31 2HG LYS 31 12.028 2.985 2.382 259 HG3 LYS 31 3HG LYS 31 10.740 1.792 2.560 260 HD2 LYS 31 2HD LYS 31 11.634 0.544 0.644 261 HD3 LYS 31 3HD LYS 31 12.922 1.739 0.469 262 HE2 LYS 31 2HE LYS 31 12.465 -0.012 2.888 263 HE3 LYS 31 3HE LYS 31 13.683 -0.282 1.642 264 HZ1 LYS 31 3HZ LYS 31 13.543 1.997 3.538 265 HZ2 LYS 31 1HZ LYS 31 14.624 1.921 2.236 266 HZ3 LYS 31 2HZ LYS 31 14.719 0.781 3.480 267 H ALA 32 H ALA 32 7.674 3.351 -0.105 268 HA ALA 32 HA ALA 32 7.860 5.418 -2.036 269 HB1 ALA 32 3HB ALA 32 5.789 4.490 -2.930 270 HB2 ALA 32 1HB ALA 32 5.560 3.551 -1.455 271 HB3 ALA 32 2HB ALA 32 6.925 3.207 -2.515 272 H ILE 33 H ILE 33 5.869 5.018 0.855 273 HA ILE 33 HA ILE 33 4.146 7.225 0.493 274 HB ILE 33 HB ILE 33 5.137 5.891 3.022 275 HG12 ILE 33 2HG1 ILE 33 2.479 5.718 1.570 276 HG13 ILE 33 3HG1 ILE 33 3.752 4.508 1.493 277 HG21 ILE 33 1HG2 ILE 33 2.946 7.953 2.735 278 HG22 ILE 33 2HG2 ILE 33 4.482 8.164 3.578 279 HG23 ILE 33 3HG2 ILE 33 3.288 7.022 4.193 280 HD11 ILE 33 3HD1 ILE 33 2.026 3.791 2.999 281 HD12 ILE 33 1HD1 ILE 33 2.161 5.287 3.925 282 HD13 ILE 33 2HD1 ILE 33 3.496 4.133 3.914 283 H VAL 34 H VAL 34 7.260 6.971 2.224 284 HA VAL 34 HA VAL 34 7.525 9.697 2.906 285 HB VAL 34 HB VAL 34 9.729 7.700 2.306 286 HG11 VAL 34 1HG1 VAL 34 10.576 9.986 2.292 287 HG12 VAL 34 2HG1 VAL 34 11.138 9.139 3.733 288 HG13 VAL 34 3HG1 VAL 34 9.814 10.300 3.852 289 HG21 VAL 34 3HG2 VAL 34 8.241 6.874 4.043 290 HG22 VAL 34 1HG2 VAL 34 8.380 8.398 4.920 291 HG23 VAL 34 2HG2 VAL 34 9.788 7.349 4.747 292 H SER 35 H SER 35 8.296 7.917 -0.029 293 HA SER 35 HA SER 35 9.580 10.149 -1.343 294 HB2 SER 35 2HB SER 35 10.190 7.800 -1.863 295 HB3 SER 35 3HB SER 35 8.581 7.546 -2.536 296 HG SER 35 HG SER 35 9.599 8.140 -4.306 297 H GLY 36 H GLY 36 6.397 9.540 -0.643 298 HA2 GLY 36 2HA GLY 36 4.421 10.478 -1.333 299 HA3 GLY 36 3HA GLY 36 5.408 11.729 -2.068 300 H THR 37 H THR 37 5.214 8.272 -2.921 301 HA THR 37 HA THR 37 4.178 9.089 -5.578 302 HB THR 37 HB THR 37 6.480 8.221 -5.712 303 HG1 THR 37 HG1 THR 37 4.550 6.418 -6.822 304 HG21 THR 37 3HG2 THR 37 6.947 5.856 -5.253 305 HG22 THR 37 1HG2 THR 37 5.312 5.649 -4.630 306 HG23 THR 37 2HG2 THR 37 6.449 6.706 -3.789 307 H VAL 38 H VAL 38 3.088 7.806 -2.852 308 HA VAL 38 HA VAL 38 1.715 5.472 -3.924 309 HB VAL 38 HB VAL 38 1.617 6.694 -1.155 310 HG11 VAL 38 1HG1 VAL 38 0.547 4.587 -0.471 311 HG12 VAL 38 2HG1 VAL 38 0.507 4.063 -2.155 312 HG13 VAL 38 3HG1 VAL 38 -0.436 5.463 -1.644 313 HG21 VAL 38 3HG2 VAL 38 3.004 4.759 -0.517 314 HG22 VAL 38 1HG2 VAL 38 3.814 5.803 -1.685 315 HG23 VAL 38 2HG2 VAL 38 3.097 4.280 -2.212 316 H GLN 39 H GLN 39 0.034 5.958 -5.221 317 HA GLN 39 HA GLN 39 -1.983 7.877 -4.244 318 HB2 GLN 39 2HB GLN 39 -1.555 6.763 -7.029 319 HB3 GLN 39 3HB GLN 39 -2.874 7.833 -6.570 320 HG2 GLN 39 2HG GLN 39 -1.188 9.540 -5.925 321 HG3 GLN 39 3HG GLN 39 0.068 8.478 -6.557 322 HE21 GLN 39 1HE2 GLN 39 -2.635 10.511 -7.363 323 HE22 GLN 39 2HE2 GLN 39 -2.289 10.641 -9.049 324 H ARG 40 H ARG 40 -3.885 7.146 -3.533 325 HA ARG 40 HA ARG 40 -4.531 4.330 -3.618 326 HB2 ARG 40 2HB ARG 40 -5.906 6.740 -2.432 327 HB3 ARG 40 3HB ARG 40 -6.676 5.161 -2.458 328 HG2 ARG 40 2HG ARG 40 -5.710 5.339 -0.337 329 HG3 ARG 40 3HG ARG 40 -4.625 4.290 -1.245 330 HD2 ARG 40 2HD ARG 40 -3.300 5.825 0.024 331 HD3 ARG 40 3HD ARG 40 -3.177 6.274 -1.675 332 HE ARG 40 HE ARG 40 -4.269 8.247 -1.213 333 HH11 ARG 40 1HH1 ARG 40 -4.530 6.166 1.532 334 HH12 ARG 40 2HH1 ARG 40 -5.023 7.448 2.580 335 HH21 ARG 40 1HH2 ARG 40 -4.916 9.875 0.160 336 HH22 ARG 40 2HH2 ARG 40 -5.235 9.516 1.820 337 H ALA 41 H ALA 41 -7.212 4.142 -3.929 338 HA ALA 41 HA ALA 41 -7.635 3.931 -6.648 339 HB1 ALA 41 3HB ALA 41 -8.987 2.790 -4.947 340 HB2 ALA 41 1HB ALA 41 -9.989 3.605 -6.147 341 HB3 ALA 41 2HB ALA 41 -9.771 4.318 -4.550 342 H ASP 42 H ASP 42 -8.683 6.643 -4.555 343 HA ASP 42 HA ASP 42 -9.833 8.126 -6.738 344 HB2 ASP 42 2HB ASP 42 -9.069 9.054 -3.954 345 HB3 ASP 42 3HB ASP 42 -10.068 9.948 -5.097 346 H GLY 43 H GLY 43 -6.701 7.438 -6.220 347 HA2 GLY 43 2HA GLY 43 -4.785 8.348 -7.161 348 HA3 GLY 43 3HA GLY 43 -5.721 9.754 -7.649 349 H SER 44 H SER 44 -6.367 9.292 -4.460 350 HA SER 44 HA SER 44 -5.066 11.621 -3.590 351 HB2 SER 44 2HB SER 44 -7.035 10.891 -2.429 352 HB3 SER 44 3HB SER 44 -6.298 9.338 -2.030 353 HG SER 44 HG SER 44 -6.194 11.649 -0.669 354 H ILE 45 H ILE 45 -3.166 12.026 -2.599 355 HA ILE 45 HA ILE 45 -1.106 10.004 -2.667 356 HB ILE 45 HB ILE 45 -1.006 12.858 -1.655 357 HG12 ILE 45 2HG1 ILE 45 -1.535 12.665 -4.071 358 HG13 ILE 45 3HG1 ILE 45 0.038 13.405 -3.789 359 HG21 ILE 45 1HG2 ILE 45 0.765 11.516 -0.659 360 HG22 ILE 45 2HG2 ILE 45 1.438 12.642 -1.838 361 HG23 ILE 45 3HG2 ILE 45 1.252 10.938 -2.255 362 HD11 ILE 45 3HD1 ILE 45 -0.431 10.534 -4.570 363 HD12 ILE 45 1HD1 ILE 45 1.134 11.308 -4.339 364 HD13 ILE 45 2HD1 ILE 45 0.076 11.831 -5.650 365 H GLN 46 H GLN 46 -0.724 8.609 -1.041 366 HA GLN 46 HA GLN 46 -1.644 9.161 1.660 367 HB2 GLN 46 2HB GLN 46 -1.866 6.884 0.789 368 HB3 GLN 46 3HB GLN 46 -0.131 6.789 0.530 369 HG2 GLN 46 2HG GLN 46 -0.804 5.576 2.536 370 HG3 GLN 46 3HG GLN 46 0.260 6.926 2.930 371 HE21 GLN 46 1HE2 GLN 46 -2.967 5.659 3.162 372 HE22 GLN 46 2HE2 GLN 46 -3.535 6.797 4.326 373 H ASN 47 H ASN 47 -0.472 10.558 2.809 374 HA ASN 47 HA ASN 47 2.454 10.623 2.527 375 HB2 ASN 47 2HB ASN 47 0.569 12.534 3.935 376 HB3 ASN 47 3HB ASN 47 2.304 12.768 3.739 377 HD21 ASN 47 1HD2 ASN 47 -0.783 12.763 2.153 378 HD22 ASN 47 2HD2 ASN 47 -0.254 13.529 0.698 379 H GLN 48 H GLN 48 0.116 9.293 4.535 380 HA GLN 48 HA GLN 48 1.787 9.356 6.948 381 HB2 GLN 48 2HB GLN 48 -1.054 8.382 6.539 382 HB3 GLN 48 3HB GLN 48 -0.209 8.433 8.083 383 HG2 GLN 48 2HG GLN 48 -0.132 10.814 8.058 384 HG3 GLN 48 3HG GLN 48 -0.698 10.876 6.388 385 HE21 GLN 48 1HE2 GLN 48 -2.870 10.493 5.950 386 HE22 GLN 48 2HE2 GLN 48 -4.079 10.556 7.181 387 H SER 49 H SER 49 3.181 7.749 7.232 388 HA SER 49 HA SER 49 3.274 5.391 5.698 389 HB2 SER 49 2HB SER 49 5.047 4.666 7.289 390 HB3 SER 49 3HB SER 49 5.289 6.309 6.701 391 HG SER 49 HG SER 49 4.893 7.091 8.648 392 H LEU 50 H LEU 50 3.223 3.141 6.505 393 HA LEU 50 HA LEU 50 1.177 2.746 8.583 394 HB2 LEU 50 2HB LEU 50 0.306 0.832 7.119 395 HB3 LEU 50 3HB LEU 50 -0.105 2.474 6.674 396 HG LEU 50 HG LEU 50 1.848 2.346 5.009 397 HD11 LEU 50 1HD1 LEU 50 2.412 0.099 4.205 398 HD12 LEU 50 2HD1 LEU 50 1.526 -0.603 5.560 399 HD13 LEU 50 3HD1 LEU 50 2.964 0.375 5.856 400 HD21 LEU 50 3HD2 LEU 50 -0.592 0.614 4.598 401 HD22 LEU 50 1HD2 LEU 50 0.453 1.242 3.321 402 HD23 LEU 50 2HD2 LEU 50 -0.479 2.354 4.322 403 H HIS 51 H HIS 51 1.376 0.972 9.905 404 HA HIS 51 HA HIS 51 4.059 -0.147 9.983 405 HB2 HIS 51 2HB HIS 51 1.768 -0.390 11.944 406 HB3 HIS 51 3HB HIS 51 3.403 -0.989 12.216 407 HD1 HIS 51 HD1 HIS 51 4.600 1.739 10.812 408 HD2 HIS 51 HD2 HIS 51 2.089 1.421 14.104 409 HE1 HIS 51 HE1 HIS 51 4.938 3.849 12.113 410 HE2 HIS 51 HE2 HIS 51 3.570 3.540 14.197 411 H GLU 52 H GLU 52 0.867 -1.252 9.140 412 HA GLU 52 HA GLU 52 2.025 -3.749 8.207 413 HB2 GLU 52 2HB GLU 52 1.278 -4.205 10.550 414 HB3 GLU 52 3HB GLU 52 -0.363 -3.788 10.076 415 HG2 GLU 52 2HG GLU 52 -0.529 -5.678 8.648 416 HG3 GLU 52 3HG GLU 52 1.202 -5.995 8.754 417 H ALA 53 H ALA 53 0.611 -4.880 6.666 418 HA ALA 53 HA ALA 53 -1.631 -3.338 5.617 419 HB1 ALA 53 3HB ALA 53 0.290 -2.246 4.608 420 HB2 ALA 53 1HB ALA 53 -0.637 -3.113 3.383 421 HB3 ALA 53 2HB ALA 53 0.873 -3.792 3.993 422 H LEU 54 H LEU 54 -2.320 -4.383 3.415 423 HA LEU 54 HA LEU 54 -2.365 -7.321 3.719 424 HB2 LEU 54 2HB LEU 54 -4.684 -5.480 3.083 425 HB3 LEU 54 3HB LEU 54 -4.770 -7.232 3.110 426 HG LEU 54 HG LEU 54 -3.991 -5.627 5.548 427 HD11 LEU 54 1HD1 LEU 54 -6.227 -4.904 4.788 428 HD12 LEU 54 2HD1 LEU 54 -6.263 -5.749 6.333 429 HD13 LEU 54 3HD1 LEU 54 -6.772 -6.581 4.866 430 HD21 LEU 54 3HD2 LEU 54 -3.390 -7.992 5.575 431 HD22 LEU 54 1HD2 LEU 54 -5.059 -8.434 5.216 432 HD23 LEU 54 2HD2 LEU 54 -4.662 -7.649 6.747 433 H ILE 55 H ILE 55 -2.373 -8.511 1.771 434 HA ILE 55 HA ILE 55 -1.985 -6.903 -0.683 435 HB ILE 55 HB ILE 55 0.165 -7.725 0.219 436 HG12 ILE 55 2HG1 ILE 55 0.990 -8.792 -1.876 437 HG13 ILE 55 3HG1 ILE 55 -0.676 -9.013 -2.398 438 HG21 ILE 55 1HG2 ILE 55 0.693 -10.124 0.156 439 HG22 ILE 55 2HG2 ILE 55 -0.983 -10.478 -0.266 440 HG23 ILE 55 3HG2 ILE 55 -0.599 -9.765 1.301 441 HD11 ILE 55 3HD1 ILE 55 0.668 -6.366 -1.894 442 HD12 ILE 55 1HD1 ILE 55 -0.987 -6.602 -2.458 443 HD13 ILE 55 2HD1 ILE 55 0.369 -7.095 -3.470 444 H THR 56 H THR 56 -2.926 -7.603 -2.540 445 HA THR 56 HA THR 56 -4.760 -9.811 -2.571 446 HB THR 56 HB THR 56 -4.875 -9.349 -5.055 447 HG1 THR 56 HG1 THR 56 -3.144 -7.168 -4.408 448 HG21 THR 56 3HG2 THR 56 -5.968 -7.157 -4.817 449 HG22 THR 56 1HG2 THR 56 -5.236 -6.965 -3.223 450 HG23 THR 56 2HG2 THR 56 -6.417 -8.246 -3.505 451 H ARG 57 H ARG 57 -4.606 -11.712 -3.984 452 HA ARG 57 HA ARG 57 -2.251 -13.149 -3.511 453 HB2 ARG 57 2HB ARG 57 -4.539 -13.693 -5.400 454 HB3 ARG 57 3HB ARG 57 -3.231 -14.835 -5.133 455 HG2 ARG 57 2HG ARG 57 -5.053 -13.799 -2.962 456 HG3 ARG 57 3HG ARG 57 -5.280 -15.322 -3.819 457 HD2 ARG 57 2HD ARG 57 -4.206 -15.881 -1.789 458 HD3 ARG 57 3HD ARG 57 -2.956 -15.967 -3.028 459 HE ARG 57 HE ARG 57 -3.222 -13.526 -1.424 460 HH11 ARG 57 1HH1 ARG 57 -1.406 -16.360 -2.214 461 HH12 ARG 57 2HH1 ARG 57 0.022 -15.775 -1.433 462 HH21 ARG 57 1HH2 ARG 57 -1.374 -12.811 -0.445 463 HH22 ARG 57 2HH2 ARG 57 0.042 -13.804 -0.443 464 H ASP 58 H ASP 58 -3.230 -11.408 -6.452 465 HA ASP 58 HA ASP 58 -0.840 -12.335 -7.851 466 HB2 ASP 58 2HB ASP 58 -3.098 -12.096 -8.969 467 HB3 ASP 58 3HB ASP 58 -2.906 -10.352 -8.832 468 H ARG 59 H ARG 59 -1.362 -10.060 -5.578 469 HA ARG 59 HA ARG 59 -0.127 -8.337 -4.768 470 HB2 ARG 59 2HB ARG 59 1.768 -8.988 -7.039 471 HB3 ARG 59 3HB ARG 59 2.138 -7.958 -5.662 472 HG2 ARG 59 2HG ARG 59 2.019 -9.808 -4.148 473 HG3 ARG 59 3HG ARG 59 1.371 -10.864 -5.406 474 HD2 ARG 59 2HD ARG 59 4.126 -9.620 -5.398 475 HD3 ARG 59 3HD ARG 59 3.751 -11.292 -4.979 476 HE ARG 59 HE ARG 59 2.747 -10.745 -7.547 477 HH11 ARG 59 1HH1 ARG 59 5.767 -11.162 -5.931 478 HH12 ARG 59 2HH1 ARG 59 6.572 -11.724 -7.351 479 HH21 ARG 59 1HH2 ARG 59 3.795 -11.456 -9.360 480 HH22 ARG 59 2HH2 ARG 59 5.474 -11.880 -9.270 481 H LYS 60 H LYS 60 -2.203 -7.889 -6.807 482 HA LYS 60 HA LYS 60 -1.288 -5.651 -8.414 483 HB2 LYS 60 2HB LYS 60 -4.113 -6.647 -7.945 484 HB3 LYS 60 3HB LYS 60 -3.615 -5.491 -9.171 485 HG2 LYS 60 2HG LYS 60 -2.212 -7.269 -10.202 486 HG3 LYS 60 3HG LYS 60 -2.878 -8.410 -9.028 487 HD2 LYS 60 2HD LYS 60 -5.158 -7.875 -9.873 488 HD3 LYS 60 3HD LYS 60 -4.426 -6.844 -11.105 489 HE2 LYS 60 2HE LYS 60 -4.042 -9.826 -10.789 490 HE3 LYS 60 3HE LYS 60 -4.984 -9.018 -12.039 491 HZ1 LYS 60 3HZ LYS 60 -2.883 -9.631 -12.937 492 HZ2 LYS 60 1HZ LYS 60 -2.043 -8.903 -11.663 493 HZ3 LYS 60 2HZ LYS 60 -2.891 -7.949 -12.778 494 H GLN 61 H GLN 61 -3.706 -6.030 -5.802 495 HA GLN 61 HA GLN 61 -3.441 -3.142 -5.225 496 HB2 GLN 61 2HB GLN 61 -5.765 -5.023 -4.746 497 HB3 GLN 61 3HB GLN 61 -5.705 -3.367 -4.159 498 HG2 GLN 61 2HG GLN 61 -5.578 -2.551 -6.463 499 HG3 GLN 61 3HG GLN 61 -5.630 -4.212 -7.054 500 HE21 GLN 61 1HE2 GLN 61 -7.470 -1.957 -7.498 501 HE22 GLN 61 2HE2 GLN 61 -9.023 -2.514 -6.989 502 H VAL 62 H VAL 62 -3.423 -2.424 -3.084 503 HA VAL 62 HA VAL 62 -2.805 -4.425 -0.999 504 HB VAL 62 HB VAL 62 -1.414 -1.752 -1.364 505 HG11 VAL 62 1HG1 VAL 62 0.067 -2.501 0.448 506 HG12 VAL 62 2HG1 VAL 62 -0.912 -3.954 0.645 507 HG13 VAL 62 3HG1 VAL 62 -1.609 -2.371 0.983 508 HG21 VAL 62 3HG2 VAL 62 -0.340 -4.541 -1.816 509 HG22 VAL 62 1HG2 VAL 62 0.593 -3.049 -1.902 510 HG23 VAL 62 2HG2 VAL 62 -0.696 -3.349 -3.066 511 H PHE 63 H PHE 63 -3.598 -3.953 1.060 512 HA PHE 63 HA PHE 63 -5.125 -1.441 1.377 513 HB2 PHE 63 2HB PHE 63 -5.783 -4.184 2.489 514 HB3 PHE 63 3HB PHE 63 -6.621 -2.703 2.941 515 HD1 PHE 63 HD2 PHE 63 -6.047 -5.135 0.247 516 HD2 PHE 63 HD1 PHE 63 -8.193 -1.649 1.438 517 HE1 PHE 63 HE2 PHE 63 -7.566 -5.411 -1.672 518 HE2 PHE 63 HE1 PHE 63 -9.709 -1.921 -0.478 519 HZ PHE 63 HZ PHE 63 -9.396 -3.804 -2.036 520 H ARG 64 H ARG 64 -5.400 -0.846 3.775 521 HA ARG 64 HA ARG 64 -2.716 -1.073 4.979 522 HB2 ARG 64 2HB ARG 64 -3.318 1.175 4.305 523 HB3 ARG 64 3HB ARG 64 -4.825 1.084 5.207 524 HG2 ARG 64 2HG ARG 64 -3.568 0.967 7.304 525 HG3 ARG 64 3HG ARG 64 -2.053 1.052 6.401 526 HD2 ARG 64 2HD ARG 64 -2.644 3.261 5.574 527 HD3 ARG 64 3HD ARG 64 -4.207 3.169 6.385 528 HE ARG 64 HE ARG 64 -2.119 2.829 8.258 529 HH11 ARG 64 1HH1 ARG 64 -3.602 5.256 6.317 530 HH12 ARG 64 2HH1 ARG 64 -3.236 6.521 7.435 531 HH21 ARG 64 1HH2 ARG 64 -1.667 4.459 9.688 532 HH22 ARG 64 2HH2 ARG 64 -2.167 6.073 9.323 533 H ILE 65 H ILE 65 -2.439 -1.431 7.202 534 HA ILE 65 HA ILE 65 -4.879 -1.868 8.811 535 HB ILE 65 HB ILE 65 -2.241 -3.327 9.125 536 HG12 ILE 65 2HG1 ILE 65 -4.955 -4.339 8.223 537 HG13 ILE 65 3HG1 ILE 65 -3.529 -4.164 7.204 538 HG21 ILE 65 1HG2 ILE 65 -3.256 -2.925 11.279 539 HG22 ILE 65 2HG2 ILE 65 -3.449 -4.628 10.863 540 HG23 ILE 65 3HG2 ILE 65 -4.813 -3.519 10.700 541 HD11 ILE 65 3HD1 ILE 65 -3.833 -6.050 9.534 542 HD12 ILE 65 1HD1 ILE 65 -2.377 -5.854 8.558 543 HD13 ILE 65 2HD1 ILE 65 -3.855 -6.471 7.822 544 H GLU 66 H GLU 66 -5.073 -0.330 10.311 545 HA GLU 66 HA GLU 66 -2.629 0.754 11.564 546 HB2 GLU 66 2HB GLU 66 -3.713 2.984 11.632 547 HB3 GLU 66 3HB GLU 66 -3.416 2.422 9.994 548 HG2 GLU 66 2HG GLU 66 -5.782 1.759 9.812 549 HG3 GLU 66 3HG GLU 66 -6.061 2.374 11.440 550 H ASP 67 H ASP 67 -2.620 0.708 13.719 551 HA ASP 67 HA ASP 67 -3.254 0.420 15.884 552 HB2 ASP 67 2HB ASP 67 -4.656 2.483 15.110 553 HB3 ASP 67 3HB ASP 67 -6.022 1.378 15.182 554 H SER 68 H SER 68 -3.472 -1.810 14.163 555 HA SER 68 HA SER 68 -4.181 -3.969 14.144 556 HB2 SER 68 2HB SER 68 -4.164 -3.825 16.620 557 HB3 SER 68 3HB SER 68 -5.835 -3.265 16.586 558 HG SER 68 HG SER 68 -6.484 -5.241 15.816 559 H ILE 69 H ILE 69 -6.028 -1.464 13.307 560 HA ILE 69 HA ILE 69 -8.480 -2.988 12.786 561 HB ILE 69 HB ILE 69 -7.862 -0.074 12.243 562 HG12 ILE 69 2HG1 ILE 69 -7.953 -0.580 14.646 563 HG13 ILE 69 3HG1 ILE 69 -9.342 0.384 14.159 564 HG21 ILE 69 1HG2 ILE 69 -9.527 -0.913 10.690 565 HG22 ILE 69 2HG2 ILE 69 -10.286 0.157 11.869 566 HG23 ILE 69 3HG2 ILE 69 -10.464 -1.590 12.023 567 HD11 ILE 69 3HD1 ILE 69 -9.977 -1.351 15.729 568 HD12 ILE 69 1HD1 ILE 69 -9.340 -2.589 14.649 569 HD13 ILE 69 2HD1 ILE 69 -10.734 -1.625 14.161 570 HA PRO 70 HA PRO 70 -6.788 -3.815 8.664 571 HB2 PRO 70 2HB PRO 70 -8.760 -5.489 7.848 572 HB3 PRO 70 3HB PRO 70 -7.479 -5.996 8.956 573 HG2 PRO 70 2HG PRO 70 -10.291 -5.156 9.568 574 HG3 PRO 70 3HG PRO 70 -9.357 -6.507 10.239 575 HD2 PRO 70 2HD PRO 70 -9.690 -4.140 11.549 576 HD3 PRO 70 3HD PRO 70 -8.242 -5.151 11.743 577 H VAL 71 H VAL 71 -7.001 -1.918 7.549 578 HA VAL 71 HA VAL 71 -9.588 -0.757 6.995 579 HB VAL 71 HB VAL 71 -6.882 0.122 5.966 580 HG11 VAL 71 1HG1 VAL 71 -8.743 1.072 4.707 581 HG12 VAL 71 2HG1 VAL 71 -7.950 2.312 5.676 582 HG13 VAL 71 3HG1 VAL 71 -9.490 1.633 6.203 583 HG21 VAL 71 3HG2 VAL 71 -6.861 1.715 7.836 584 HG22 VAL 71 1HG2 VAL 71 -6.861 0.043 8.401 585 HG23 VAL 71 2HG2 VAL 71 -8.346 0.997 8.462 586 H LEU 72 H LEU 72 -10.603 -2.299 5.683 587 HA LEU 72 HA LEU 72 -9.519 -2.984 3.082 588 HB2 LEU 72 2HB LEU 72 -12.249 -3.527 4.275 589 HB3 LEU 72 3HB LEU 72 -11.607 -4.252 2.812 590 HG LEU 72 HG LEU 72 -10.446 -4.645 5.578 591 HD11 LEU 72 1HD1 LEU 72 -11.358 -6.915 5.434 592 HD12 LEU 72 2HD1 LEU 72 -12.154 -6.499 3.916 593 HD13 LEU 72 3HD1 LEU 72 -12.632 -5.696 5.412 594 HD21 LEU 72 3HD2 LEU 72 -9.804 -6.013 2.962 595 HD22 LEU 72 1HD2 LEU 72 -9.101 -6.394 4.535 596 HD23 LEU 72 2HD2 LEU 72 -8.787 -4.830 3.784 597 H LEU 73 H LEU 73 -10.246 -0.127 3.816 598 HA LEU 73 HA LEU 73 -12.564 0.605 2.325 599 HB2 LEU 73 2HB LEU 73 -10.249 2.280 3.310 600 HB3 LEU 73 3HB LEU 73 -11.732 2.924 2.634 601 HG LEU 73 HG LEU 73 -11.485 1.351 5.205 602 HD11 LEU 73 1HD1 LEU 73 -10.635 3.641 5.350 603 HD12 LEU 73 2HD1 LEU 73 -12.121 3.445 6.276 604 HD13 LEU 73 3HD1 LEU 73 -12.159 4.252 4.708 605 HD21 LEU 73 3HD2 LEU 73 -13.928 2.568 3.905 606 HD22 LEU 73 1HD2 LEU 73 -13.867 1.846 5.513 607 HD23 LEU 73 2HD2 LEU 73 -13.595 0.845 4.088 608 HA PRO 74 HA PRO 74 -10.803 0.597 -1.823 609 HB2 PRO 74 2HB PRO 74 -12.673 2.339 -2.914 610 HB3 PRO 74 3HB PRO 74 -12.892 0.593 -2.748 611 HG2 PRO 74 2HG PRO 74 -13.867 2.803 -0.972 612 HG3 PRO 74 3HG PRO 74 -14.714 1.336 -1.502 613 HD2 PRO 74 2HD PRO 74 -13.658 1.510 0.953 614 HD3 PRO 74 3HD PRO 74 -13.596 -0.012 0.038 615 H GLU 75 H GLU 75 -11.698 3.613 -0.154 616 HA GLU 75 HA GLU 75 -10.114 5.325 -1.787 617 HB2 GLU 75 2HB GLU 75 -10.355 6.981 0.068 618 HB3 GLU 75 3HB GLU 75 -11.873 6.330 -0.525 619 HG2 GLU 75 2HG GLU 75 -10.667 4.955 1.805 620 HG3 GLU 75 3HG GLU 75 -11.286 6.581 2.077 621 H GLU 76 H GLU 76 -9.215 3.068 0.583 622 HA GLU 76 HA GLU 76 -6.555 4.319 0.881 623 HB2 GLU 76 2HB GLU 76 -7.795 3.825 2.989 624 HB3 GLU 76 3HB GLU 76 -7.811 2.124 2.557 625 HG2 GLU 76 2HG GLU 76 -6.084 2.484 4.166 626 HG3 GLU 76 3HG GLU 76 -5.328 2.132 2.615 627 H ALA 77 H ALA 77 -8.032 2.272 -1.131 628 HA ALA 77 HA ALA 77 -6.357 -0.019 -1.165 629 HB1 ALA 77 3HB ALA 77 -7.338 -0.500 -3.335 630 HB2 ALA 77 1HB ALA 77 -7.987 1.137 -3.430 631 HB3 ALA 77 2HB ALA 77 -8.586 0.019 -2.204 632 H ILE 78 H ILE 78 -4.233 0.105 -1.461 633 HA ILE 78 HA ILE 78 -2.988 2.156 -3.087 634 HB ILE 78 HB ILE 78 -1.627 -0.207 -1.776 635 HG12 ILE 78 2HG1 ILE 78 -2.944 0.959 -0.067 636 HG13 ILE 78 3HG1 ILE 78 -1.225 1.237 0.181 637 HG21 ILE 78 1HG2 ILE 78 0.331 1.289 -1.750 638 HG22 ILE 78 2HG2 ILE 78 -0.612 2.520 -2.589 639 HG23 ILE 78 3HG2 ILE 78 -0.257 0.988 -3.387 640 HD11 ILE 78 3HD1 ILE 78 -1.446 3.448 -0.834 641 HD12 ILE 78 1HD1 ILE 78 -2.504 3.254 0.562 642 HD13 ILE 78 2HD1 ILE 78 -3.170 3.164 -1.068 643 H ALA 79 H ALA 79 -2.131 1.907 -5.102 644 HA ALA 79 HA ALA 79 -2.386 -0.715 -6.420 645 HB1 ALA 79 3HB ALA 79 -3.509 1.187 -7.501 646 HB2 ALA 79 1HB ALA 79 -2.252 0.497 -8.528 647 HB3 ALA 79 2HB ALA 79 -1.955 2.007 -7.666 648 H THR 80 H THR 80 -0.599 -1.936 -6.510 649 HA THR 80 HA THR 80 1.956 -1.119 -5.690 650 HB THR 80 HB THR 80 2.783 -3.264 -6.616 651 HG1 THR 80 HG1 THR 80 0.907 -4.607 -7.485 652 HG21 THR 80 3HG2 THR 80 1.369 -4.746 -5.266 653 HG22 THR 80 1HG2 THR 80 0.136 -3.489 -5.168 654 HG23 THR 80 2HG2 THR 80 1.710 -3.241 -4.410 655 H ILE 81 H ILE 81 0.521 -1.100 -8.873 656 HA ILE 81 HA ILE 81 2.819 -1.029 -10.469 657 HB ILE 81 HB ILE 81 0.557 -1.394 -11.359 658 HG12 ILE 81 2HG1 ILE 81 0.757 0.008 -13.408 659 HG13 ILE 81 3HG1 ILE 81 1.977 0.986 -12.600 660 HG21 ILE 81 1HG2 ILE 81 0.124 1.546 -10.821 661 HG22 ILE 81 2HG2 ILE 81 -0.695 0.197 -10.030 662 HG23 ILE 81 3HG2 ILE 81 -0.962 0.508 -11.747 663 HD11 ILE 81 3HD1 ILE 81 3.433 -0.972 -12.443 664 HD12 ILE 81 1HD1 ILE 81 2.991 -0.614 -14.111 665 HD13 ILE 81 2HD1 ILE 81 2.207 -1.944 -13.258 666 H GLN 82 H GLN 82 1.445 1.457 -8.470 667 HA GLN 82 HA GLN 82 2.945 3.595 -9.802 668 HB2 GLN 82 2HB GLN 82 1.141 3.797 -7.381 669 HB3 GLN 82 3HB GLN 82 1.731 5.121 -8.377 670 HG2 GLN 82 2HG GLN 82 0.449 4.236 -10.284 671 HG3 GLN 82 3HG GLN 82 -0.179 2.955 -9.246 672 HE21 GLN 82 1HE2 GLN 82 -1.623 3.529 -7.564 673 HE22 GLN 82 2HE2 GLN 82 -2.507 5.006 -7.614 674 H ILE 83 H ILE 83 3.638 1.309 -7.520 675 HA ILE 83 HA ILE 83 5.091 2.996 -5.649 676 HB ILE 83 HB ILE 83 4.978 -0.025 -5.803 677 HG12 ILE 83 2HG1 ILE 83 2.752 0.909 -5.415 678 HG13 ILE 83 3HG1 ILE 83 3.346 0.141 -3.949 679 HG21 ILE 83 1HG2 ILE 83 5.767 0.052 -3.466 680 HG22 ILE 83 2HG2 ILE 83 5.939 1.802 -3.596 681 HG23 ILE 83 3HG2 ILE 83 6.936 0.742 -4.590 682 HD11 ILE 83 3HD1 ILE 83 3.923 2.334 -3.038 683 HD12 ILE 83 1HD1 ILE 83 2.213 2.223 -3.453 684 HD13 ILE 83 2HD1 ILE 83 3.320 3.099 -4.509 685 H ALA 84 H ALA 84 6.894 3.876 -6.501 686 HA ALA 84 HA ALA 84 8.519 2.851 -8.522 687 HB1 ALA 84 3HB ALA 84 10.130 4.559 -7.868 688 HB2 ALA 84 1HB ALA 84 9.286 4.779 -6.335 689 HB3 ALA 84 2HB ALA 84 8.488 5.202 -7.849 690 H ASN 85 H ASN 85 8.484 2.053 -5.160 691 HA ASN 85 HA ASN 85 11.186 0.978 -5.136 692 HB2 ASN 85 2HB ASN 85 9.026 0.957 -3.015 693 HB3 ASN 85 3HB ASN 85 10.695 0.442 -2.778 694 HD21 ASN 85 1HD2 ASN 85 11.921 2.490 -4.328 695 HD22 ASN 85 2HD2 ASN 85 11.728 3.970 -3.461 696 H PHE 86 H PHE 86 8.262 -0.158 -6.239 697 HA PHE 86 HA PHE 86 8.665 -2.940 -5.461 698 HB2 PHE 86 2HB PHE 86 6.440 -1.362 -6.391 699 HB3 PHE 86 3HB PHE 86 6.650 -2.737 -7.469 700 HD1 PHE 86 HD1 PHE 86 6.265 -1.825 -3.882 701 HD2 PHE 86 HD2 PHE 86 5.887 -4.863 -6.846 702 HE1 PHE 86 HE1 PHE 86 5.122 -3.269 -2.252 703 HE2 PHE 86 HE2 PHE 86 4.746 -6.313 -5.215 704 HZ PHE 86 HZ PHE 86 4.364 -5.517 -2.917 705 HA PRO 87 HA PRO 87 11.264 -4.003 -8.935 706 HB2 PRO 87 2HB PRO 87 9.899 -6.650 -8.751 707 HB3 PRO 87 3HB PRO 87 11.624 -6.266 -8.715 708 HG2 PRO 87 2HG PRO 87 10.355 -6.949 -6.479 709 HG3 PRO 87 3HG PRO 87 11.576 -5.662 -6.466 710 HD2 PRO 87 2HD PRO 87 8.584 -5.437 -6.443 711 HD3 PRO 87 3HD PRO 87 9.790 -4.499 -5.535 712 H ASP 88 H ASP 88 11.007 -3.701 -11.073 713 HA ASP 88 HA ASP 88 8.322 -3.718 -12.194 714 HB2 ASP 88 2HB ASP 88 10.951 -2.771 -13.358 715 HB3 ASP 88 3HB ASP 88 9.380 -2.586 -14.131 716 H LYS 89 H LYS 89 7.616 -5.665 -12.890 717 HA LYS 89 HA LYS 89 9.333 -7.539 -14.265 718 HB2 LYS 89 2HB LYS 89 6.331 -7.498 -13.854 719 HB3 LYS 89 3HB LYS 89 7.196 -8.804 -14.651 720 HG2 LYS 89 2HG LYS 89 7.535 -7.930 -11.782 721 HG3 LYS 89 3HG LYS 89 6.694 -9.376 -12.345 722 HD2 LYS 89 2HD LYS 89 9.643 -8.787 -12.682 723 HD3 LYS 89 3HD LYS 89 8.937 -9.918 -11.528 724 HE2 LYS 89 2HE LYS 89 8.748 -10.133 -14.538 725 HE3 LYS 89 3HE LYS 89 9.844 -11.057 -13.518 726 HZ1 LYS 89 3HZ LYS 89 7.900 -12.024 -12.409 727 HZ2 LYS 89 1HZ LYS 89 7.918 -12.365 -14.064 728 HZ3 LYS 89 2HZ LYS 89 6.878 -11.181 -13.466 729 H LEU 90 H LEU 90 9.763 -7.571 -16.388 730 HA LEU 90 HA LEU 90 8.794 -5.433 -18.041 731 HB2 LEU 90 2HB LEU 90 10.611 -7.733 -18.769 732 HB3 LEU 90 3HB LEU 90 10.383 -6.262 -19.699 733 HG LEU 90 HG LEU 90 11.676 -6.475 -16.972 734 HD11 LEU 90 1HD1 LEU 90 12.824 -5.784 -19.676 735 HD12 LEU 90 2HD1 LEU 90 13.097 -7.277 -18.777 736 HD13 LEU 90 3HD1 LEU 90 13.699 -5.745 -18.145 737 HD21 LEU 90 3HD2 LEU 90 12.147 -4.078 -17.202 738 HD22 LEU 90 1HD2 LEU 90 10.413 -4.399 -17.138 739 HD23 LEU 90 2HD2 LEU 90 11.187 -4.034 -18.682 740 H GLU 91 H GLU 91 7.236 -8.062 -17.266 741 HA GLU 91 HA GLU 91 6.362 -9.070 -19.816 742 HB2 GLU 91 2HB GLU 91 4.759 -10.379 -18.494 743 HB3 GLU 91 3HB GLU 91 6.388 -10.507 -17.842 744 HG2 GLU 91 2HG GLU 91 5.752 -8.730 -16.174 745 HG3 GLU 91 3HG GLU 91 4.093 -8.894 -16.747 746 H HIS 92 H HIS 92 5.416 -6.471 -17.729 747 HA HIS 92 HA HIS 92 3.025 -5.993 -19.399 748 HB2 HIS 92 2HB HIS 92 2.219 -4.515 -17.548 749 HB3 HIS 92 3HB HIS 92 2.345 -6.211 -17.107 750 HD1 HIS 92 HD1 HIS 92 3.764 -6.775 -15.116 751 HD2 HIS 92 HD2 HIS 92 4.293 -2.846 -16.370 752 HE1 HIS 92 HE1 HIS 92 5.123 -5.673 -13.318 753 HE2 HIS 92 HE2 HIS 92 5.406 -3.292 -14.072 754 H HIS 93 H HIS 93 3.100 -4.336 -20.783 755 HA HIS 93 HA HIS 93 4.841 -2.043 -20.310 756 HB2 HIS 93 2HB HIS 93 6.347 -3.695 -21.312 757 HB3 HIS 93 3HB HIS 93 5.238 -3.914 -22.660 758 HD1 HIS 93 HD1 HIS 93 5.176 -2.040 -24.461 759 HD2 HIS 93 HD2 HIS 93 7.968 -1.422 -21.449 760 HE1 HIS 93 HE1 HIS 93 6.671 -0.206 -25.298 761 HE2 HIS 93 HE2 HIS 93 8.463 0.004 -23.547 762 H HIS 94 H HIS 94 3.819 -0.254 -20.977 763 HA HIS 94 HA HIS 94 1.765 -0.439 -23.084 764 HB2 HIS 94 2HB HIS 94 2.304 1.776 -21.085 765 HB3 HIS 94 3HB HIS 94 1.028 1.794 -22.297 766 HD1 HIS 94 HD1 HIS 94 1.550 1.059 -18.855 767 HD2 HIS 94 HD2 HIS 94 -0.791 -0.573 -21.876 768 HE1 HIS 94 HE1 HIS 94 -0.249 -0.244 -17.681 769 HE2 HIS 94 HE2 HIS 94 -1.565 -1.336 -19.529 770 H HIS 95 H HIS 95 1.642 1.483 -24.577 771 HA HIS 95 HA HIS 95 4.273 1.833 -25.785 772 HB2 HIS 95 2HB HIS 95 2.368 1.079 -27.155 773 HB3 HIS 95 3HB HIS 95 1.508 2.569 -26.786 774 HD1 HIS 95 HD1 HIS 95 4.215 1.172 -28.918 775 HD2 HIS 95 HD2 HIS 95 2.420 4.845 -28.182 776 HE1 HIS 95 HE1 HIS 95 4.987 2.681 -30.766 777 HE2 HIS 95 HE2 HIS 95 4.088 4.944 -30.149 778 H HIS 96 H HIS 96 5.454 3.528 -25.020 779 HA HIS 96 HA HIS 96 4.105 6.000 -24.221 780 HB2 HIS 96 2HB HIS 96 5.767 5.046 -22.688 781 HB3 HIS 96 3HB HIS 96 7.010 5.189 -23.927 782 HD1 HIS 96 HD1 HIS 96 8.397 7.227 -23.727 783 HD2 HIS 96 HD2 HIS 96 4.643 7.756 -22.033 784 HE1 HIS 96 HE1 HIS 96 8.410 9.546 -22.776 785 HE2 HIS 96 HE2 HIS 96 6.179 9.796 -21.646 786 H HIS 97 H HIS 97 6.547 4.934 -26.598 787 HA HIS 97 HA HIS 97 6.667 7.651 -27.711 788 HB2 HIS 97 2HB HIS 97 8.295 5.165 -28.269 789 HB3 HIS 97 3HB HIS 97 8.442 6.635 -29.226 790 HD1 HIS 97 HD1 HIS 97 9.486 8.716 -28.044 791 HD2 HIS 97 HD2 HIS 97 9.562 5.217 -25.810 792 HE1 HIS 97 HE1 HIS 97 11.091 9.155 -26.171 793 HE2 HIS 97 HE2 HIS 97 11.308 6.946 -24.995 Start of MODEL 9 1 H1 MET 1 1H MET 1 8.675 -11.066 -20.166 2 H2 MET 1 2H MET 1 8.858 -12.198 -21.405 3 H3 MET 1 3H MET 1 7.310 -11.691 -20.951 4 HA MET 1 HA MET 1 7.807 -9.438 -21.697 5 HB2 MET 1 2HB MET 1 10.373 -10.665 -22.744 6 HB3 MET 1 3HB MET 1 9.854 -8.999 -22.959 7 HG2 MET 1 2HG MET 1 10.033 -8.621 -20.556 8 HG3 MET 1 3HG MET 1 10.524 -10.300 -20.324 9 HE1 MET 1 3HE MET 1 13.883 -8.493 -19.611 10 HE2 MET 1 1HE MET 1 12.715 -9.694 -19.051 11 HE3 MET 1 2HE MET 1 12.264 -7.988 -19.127 12 H ASP 2 H ASP 2 7.023 -12.381 -22.667 13 HA ASP 2 HA ASP 2 7.068 -11.886 -25.561 14 HB2 ASP 2 2HB ASP 2 6.326 -14.392 -24.026 15 HB3 ASP 2 3HB ASP 2 6.489 -14.261 -25.773 16 H ARG 3 H ARG 3 5.314 -10.645 -26.159 17 HA ARG 3 HA ARG 3 2.731 -10.858 -25.023 18 HB2 ARG 3 2HB ARG 3 3.642 -9.797 -27.700 19 HB3 ARG 3 3HB ARG 3 1.959 -9.761 -27.189 20 HG2 ARG 3 2HG ARG 3 2.706 -8.466 -25.161 21 HG3 ARG 3 3HG ARG 3 4.296 -8.346 -25.919 22 HD2 ARG 3 2HD ARG 3 3.353 -7.167 -27.809 23 HD3 ARG 3 3HD ARG 3 1.720 -7.391 -27.180 24 HE ARG 3 HE ARG 3 3.774 -5.731 -25.856 25 HH11 ARG 3 1HH1 ARG 3 0.484 -6.366 -26.680 26 HH12 ARG 3 2HH1 ARG 3 -0.081 -4.876 -26.010 27 HH21 ARG 3 1HH2 ARG 3 3.028 -3.842 -24.981 28 HH22 ARG 3 2HH2 ARG 3 1.341 -3.467 -25.047 29 H LYS 4 H LYS 4 4.397 -12.801 -27.338 30 HA LYS 4 HA LYS 4 2.360 -14.297 -28.484 31 HB2 LYS 4 2HB LYS 4 5.039 -15.213 -27.412 32 HB3 LYS 4 3HB LYS 4 3.985 -16.218 -28.392 33 HG2 LYS 4 2HG LYS 4 4.217 -14.716 -30.268 34 HG3 LYS 4 3HG LYS 4 5.154 -13.585 -29.288 35 HD2 LYS 4 2HD LYS 4 6.588 -14.983 -30.750 36 HD3 LYS 4 3HD LYS 4 6.933 -15.219 -29.034 37 HE2 LYS 4 2HE LYS 4 5.507 -17.251 -29.072 38 HE3 LYS 4 3HE LYS 4 5.295 -17.036 -30.809 39 HZ1 LYS 4 3HZ LYS 4 7.030 -18.644 -30.271 40 HZ2 LYS 4 1HZ LYS 4 7.896 -17.456 -29.440 41 HZ3 LYS 4 2HZ LYS 4 7.661 -17.323 -31.110 42 H LEU 5 H LEU 5 3.815 -14.595 -25.270 43 HA LEU 5 HA LEU 5 2.010 -16.736 -24.495 44 HB2 LEU 5 2HB LEU 5 4.268 -15.292 -23.126 45 HB3 LEU 5 3HB LEU 5 3.198 -16.339 -22.223 46 HG LEU 5 HG LEU 5 5.238 -17.519 -22.800 47 HD11 LEU 5 1HD1 LEU 5 3.214 -18.837 -22.661 48 HD12 LEU 5 2HD1 LEU 5 4.266 -19.484 -23.919 49 HD13 LEU 5 3HD1 LEU 5 2.856 -18.520 -24.359 50 HD21 LEU 5 3HD2 LEU 5 4.509 -17.044 -25.693 51 HD22 LEU 5 1HD2 LEU 5 5.866 -18.000 -25.098 52 HD23 LEU 5 2HD2 LEU 5 5.828 -16.259 -24.825 53 H LEU 6 H LEU 6 2.427 -13.283 -23.881 54 HA LEU 6 HA LEU 6 0.485 -13.058 -21.822 55 HB2 LEU 6 2HB LEU 6 1.472 -10.952 -23.755 56 HB3 LEU 6 3HB LEU 6 0.538 -10.637 -22.304 57 HG LEU 6 HG LEU 6 3.324 -11.812 -22.373 58 HD11 LEU 6 1HD1 LEU 6 4.017 -9.671 -21.396 59 HD12 LEU 6 2HD1 LEU 6 2.371 -9.061 -21.569 60 HD13 LEU 6 3HD1 LEU 6 3.319 -9.462 -23.000 61 HD21 LEU 6 3HD2 LEU 6 1.596 -11.006 -20.029 62 HD22 LEU 6 1HD2 LEU 6 3.281 -11.523 -19.937 63 HD23 LEU 6 2HD2 LEU 6 2.039 -12.652 -20.479 64 H HIS 7 H HIS 7 -1.215 -14.390 -22.745 65 HA HIS 7 HA HIS 7 -2.795 -13.244 -24.910 66 HB2 HIS 7 2HB HIS 7 -3.279 -15.695 -23.199 67 HB3 HIS 7 3HB HIS 7 -4.259 -15.217 -24.578 68 HD1 HIS 7 HD1 HIS 7 -2.372 -17.855 -24.122 69 HD2 HIS 7 HD2 HIS 7 -1.748 -14.629 -26.666 70 HE1 HIS 7 HE1 HIS 7 -0.849 -18.701 -25.922 71 HE2 HIS 7 HE2 HIS 7 -0.320 -16.684 -27.319 72 H LEU 8 H LEU 8 -2.462 -12.378 -21.842 73 HA LEU 8 HA LEU 8 -3.644 -11.153 -20.361 74 HB2 LEU 8 2HB LEU 8 -5.632 -11.124 -22.615 75 HB3 LEU 8 3HB LEU 8 -6.026 -10.419 -21.061 76 HG LEU 8 HG LEU 8 -5.288 -8.692 -22.596 77 HD11 LEU 8 1HD1 LEU 8 -3.530 -7.668 -21.261 78 HD12 LEU 8 2HD1 LEU 8 -3.195 -9.217 -20.485 79 HD13 LEU 8 3HD1 LEU 8 -4.748 -8.418 -20.230 80 HD21 LEU 8 3HD2 LEU 8 -3.008 -8.635 -23.487 81 HD22 LEU 8 1HD2 LEU 8 -3.898 -10.035 -24.083 82 HD23 LEU 8 2HD2 LEU 8 -2.695 -10.232 -22.809 83 H LEU 9 H LEU 9 -4.096 -14.236 -20.895 84 HA LEU 9 HA LEU 9 -6.413 -14.820 -19.322 85 HB2 LEU 9 2HB LEU 9 -5.122 -16.384 -20.915 86 HB3 LEU 9 3HB LEU 9 -3.977 -16.593 -19.606 87 HG LEU 9 HG LEU 9 -6.921 -17.272 -19.374 88 HD11 LEU 9 1HD1 LEU 9 -4.596 -19.105 -19.979 89 HD12 LEU 9 2HD1 LEU 9 -5.889 -18.660 -21.095 90 HD13 LEU 9 3HD1 LEU 9 -6.256 -19.608 -19.656 91 HD21 LEU 9 3HD2 LEU 9 -6.200 -18.591 -17.427 92 HD22 LEU 9 1HD2 LEU 9 -5.843 -16.878 -17.223 93 HD23 LEU 9 2HD2 LEU 9 -4.553 -18.001 -17.642 94 H CYS 10 H CYS 10 -6.451 -13.750 -17.393 95 HA CYS 10 HA CYS 10 -4.210 -14.162 -15.526 96 HB2 CYS 10 2HB CYS 10 -4.417 -11.786 -14.809 97 HB3 CYS 10 3HB CYS 10 -3.865 -11.963 -16.470 98 HG CYS 10 HG CYS 10 -6.244 -11.218 -17.649 99 H SER 11 H SER 11 -4.856 -13.251 -13.286 100 HA SER 11 HA SER 11 -7.378 -14.530 -12.552 101 HB2 SER 11 2HB SER 11 -5.130 -13.471 -10.811 102 HB3 SER 11 3HB SER 11 -6.526 -14.384 -10.239 103 HG SER 11 HG SER 11 -4.240 -15.251 -11.545 104 HA PRO 12 HA PRO 12 -9.409 -10.566 -11.840 105 HB2 PRO 12 2HB PRO 12 -11.284 -12.086 -10.145 106 HB3 PRO 12 3HB PRO 12 -11.599 -11.184 -11.632 107 HG2 PRO 12 2HG PRO 12 -11.676 -13.880 -11.556 108 HG3 PRO 12 3HG PRO 12 -11.128 -12.991 -12.990 109 HD2 PRO 12 2HD PRO 12 -9.501 -14.370 -10.878 110 HD3 PRO 12 3HD PRO 12 -9.272 -14.345 -12.641 111 H ASP 13 H ASP 13 -7.694 -9.739 -10.531 112 HA ASP 13 HA ASP 13 -7.032 -10.522 -7.954 113 HB2 ASP 13 2HB ASP 13 -5.704 -9.010 -9.436 114 HB3 ASP 13 3HB ASP 13 -6.840 -7.715 -9.072 115 H THR 14 H THR 14 -9.471 -8.186 -9.007 116 HA THR 14 HA THR 14 -10.196 -7.315 -6.382 117 HB THR 14 HB THR 14 -12.133 -6.251 -7.460 118 HG1 THR 14 HG1 THR 14 -12.839 -7.473 -9.090 119 HG21 THR 14 3HG2 THR 14 -9.990 -5.090 -7.546 120 HG22 THR 14 1HG2 THR 14 -10.902 -4.797 -9.026 121 HG23 THR 14 2HG2 THR 14 -9.563 -5.946 -9.029 122 H ARG 15 H ARG 15 -10.450 -10.314 -7.423 123 HA ARG 15 HA ARG 15 -12.904 -10.804 -5.856 124 HB2 ARG 15 2HB ARG 15 -13.121 -11.248 -8.375 125 HB3 ARG 15 3HB ARG 15 -11.996 -12.578 -8.133 126 HG2 ARG 15 2HG ARG 15 -13.590 -13.536 -6.463 127 HG3 ARG 15 3HG ARG 15 -14.731 -12.265 -6.898 128 HD2 ARG 15 2HD ARG 15 -15.334 -14.224 -8.121 129 HD3 ARG 15 3HD ARG 15 -14.616 -13.088 -9.265 130 HE ARG 15 HE ARG 15 -12.511 -14.601 -8.569 131 HH11 ARG 15 1HH1 ARG 15 -15.702 -15.470 -9.584 132 HH12 ARG 15 2HH1 ARG 15 -15.172 -16.941 -10.319 133 HH21 ARG 15 1HH2 ARG 15 -11.860 -16.497 -9.493 134 HH22 ARG 15 2HH2 ARG 15 -13.023 -17.531 -10.251 135 H GLN 16 H GLN 16 -9.725 -10.913 -5.663 136 HA GLN 16 HA GLN 16 -9.334 -13.675 -4.800 137 HB2 GLN 16 2HB GLN 16 -7.438 -11.318 -4.979 138 HB3 GLN 16 3HB GLN 16 -6.962 -12.922 -4.439 139 HG2 GLN 16 2HG GLN 16 -8.102 -12.296 -7.157 140 HG3 GLN 16 3HG GLN 16 -6.382 -12.452 -6.798 141 HE21 GLN 16 1HE2 GLN 16 -5.563 -14.501 -6.285 142 HE22 GLN 16 2HE2 GLN 16 -6.406 -15.947 -6.697 143 HA PRO 17 HA PRO 17 -9.659 -12.747 -0.391 144 HB2 PRO 17 2HB PRO 17 -7.764 -14.952 0.070 145 HB3 PRO 17 3HB PRO 17 -9.455 -14.817 0.552 146 HG2 PRO 17 2HG PRO 17 -8.642 -16.525 -1.374 147 HG3 PRO 17 3HG PRO 17 -10.229 -15.731 -1.424 148 HD2 PRO 17 2HD PRO 17 -7.716 -15.038 -2.912 149 HD3 PRO 17 3HD PRO 17 -9.396 -15.074 -3.491 150 H LEU 18 H LEU 18 -8.469 -11.523 1.056 151 HA LEU 18 HA LEU 18 -5.928 -10.512 0.088 152 HB2 LEU 18 2HB LEU 18 -7.544 -9.747 2.525 153 HB3 LEU 18 3HB LEU 18 -6.132 -8.890 1.933 154 HG LEU 18 HG LEU 18 -8.762 -9.180 0.467 155 HD11 LEU 18 1HD1 LEU 18 -9.015 -6.794 0.854 156 HD12 LEU 18 2HD1 LEU 18 -7.499 -6.760 1.755 157 HD13 LEU 18 3HD1 LEU 18 -8.879 -7.659 2.385 158 HD21 LEU 18 3HD2 LEU 18 -7.794 -7.622 -1.159 159 HD22 LEU 18 1HD2 LEU 18 -6.883 -9.130 -1.082 160 HD23 LEU 18 2HD2 LEU 18 -6.256 -7.681 -0.298 161 H SER 19 H SER 19 -3.957 -10.481 1.202 162 HA SER 19 HA SER 19 -3.682 -12.348 3.486 163 HB2 SER 19 2HB SER 19 -1.817 -12.101 1.107 164 HB3 SER 19 3HB SER 19 -1.506 -13.091 2.535 165 HG SER 19 HG SER 19 -2.445 -14.515 1.241 166 H LEU 20 H LEU 20 -1.654 -12.011 4.743 167 HA LEU 20 HA LEU 20 -1.305 -9.251 5.393 168 HB2 LEU 20 2HB LEU 20 -1.185 -11.223 6.986 169 HB3 LEU 20 3HB LEU 20 0.388 -11.585 6.315 170 HG LEU 20 HG LEU 20 0.355 -10.356 8.538 171 HD11 LEU 20 1HD1 LEU 20 2.369 -10.452 7.170 172 HD12 LEU 20 2HD1 LEU 20 2.230 -8.902 7.993 173 HD13 LEU 20 3HD1 LEU 20 1.842 -9.025 6.276 174 HD21 LEU 20 3HD2 LEU 20 -1.458 -8.812 8.067 175 HD22 LEU 20 1HD2 LEU 20 -0.505 -8.048 6.796 176 HD23 LEU 20 2HD2 LEU 20 0.012 -7.931 8.480 177 H LEU 21 H LEU 21 0.102 -7.818 4.584 178 HA LEU 21 HA LEU 21 1.697 -8.399 2.336 179 HB2 LEU 21 2HB LEU 21 0.727 -6.203 2.713 180 HB3 LEU 21 3HB LEU 21 1.703 -5.989 4.153 181 HG LEU 21 HG LEU 21 3.745 -5.937 2.781 182 HD11 LEU 21 1HD1 LEU 21 3.601 -5.828 0.339 183 HD12 LEU 21 2HD1 LEU 21 1.873 -6.177 0.425 184 HD13 LEU 21 3HD1 LEU 21 3.046 -7.383 0.957 185 HD21 LEU 21 3HD2 LEU 21 1.605 -4.016 1.860 186 HD22 LEU 21 1HD2 LEU 21 3.343 -3.778 1.674 187 HD23 LEU 21 2HD2 LEU 21 2.628 -3.837 3.284 188 H GLU 22 H GLU 22 3.614 -9.321 2.206 189 HA GLU 22 HA GLU 22 5.300 -10.081 4.275 190 HB2 GLU 22 2HB GLU 22 5.419 -11.061 2.055 191 HB3 GLU 22 3HB GLU 22 5.926 -9.527 1.364 192 HG2 GLU 22 2HG GLU 22 8.039 -9.648 2.528 193 HG3 GLU 22 3HG GLU 22 7.526 -11.117 3.362 194 H SER 23 H SER 23 6.897 -9.086 5.437 195 HA SER 23 HA SER 23 6.956 -6.296 5.629 196 HB2 SER 23 2HB SER 23 7.654 -7.808 7.462 197 HB3 SER 23 3HB SER 23 9.114 -8.207 6.562 198 HG SER 23 HG SER 23 9.483 -5.811 6.613 199 H LYS 24 H LYS 24 9.033 -8.449 3.748 200 HA LYS 24 HA LYS 24 10.961 -6.566 2.937 201 HB2 LYS 24 2HB LYS 24 9.844 -8.872 1.321 202 HB3 LYS 24 3HB LYS 24 11.360 -8.038 1.014 203 HG2 LYS 24 2HG LYS 24 10.732 -9.673 3.474 204 HG3 LYS 24 3HG LYS 24 11.677 -10.220 2.094 205 HD2 LYS 24 2HD LYS 24 13.357 -9.593 3.540 206 HD3 LYS 24 3HD LYS 24 13.140 -8.099 2.634 207 HE2 LYS 24 2HE LYS 24 11.689 -7.243 4.443 208 HE3 LYS 24 3HE LYS 24 11.957 -8.732 5.345 209 HZ1 LYS 24 3HZ LYS 24 13.387 -6.928 6.093 210 HZ2 LYS 24 1HZ LYS 24 14.070 -6.807 4.551 211 HZ3 LYS 24 2HZ LYS 24 14.298 -8.208 5.470 212 H GLY 25 H GLY 25 7.744 -7.292 1.635 213 HA2 GLY 25 2HA GLY 25 7.844 -5.274 -0.415 214 HA3 GLY 25 3HA GLY 25 6.413 -6.127 0.148 215 H LEU 26 H LEU 26 6.711 -5.389 2.925 216 HA LEU 26 HA LEU 26 5.123 -3.121 3.044 217 HB2 LEU 26 2HB LEU 26 5.315 -4.738 4.866 218 HB3 LEU 26 3HB LEU 26 6.973 -4.239 5.156 219 HG LEU 26 HG LEU 26 6.138 -1.976 5.794 220 HD11 LEU 26 1HD1 LEU 26 3.418 -3.270 5.574 221 HD12 LEU 26 2HD1 LEU 26 4.045 -1.972 4.557 222 HD13 LEU 26 3HD1 LEU 26 3.754 -1.684 6.270 223 HD21 LEU 26 3HD2 LEU 26 6.628 -3.648 7.502 224 HD22 LEU 26 1HD2 LEU 26 4.987 -4.284 7.371 225 HD23 LEU 26 2HD2 LEU 26 5.256 -2.649 7.976 226 H GLU 27 H GLU 27 8.645 -3.334 3.656 227 HA GLU 27 HA GLU 27 9.091 -0.617 4.156 228 HB2 GLU 27 2HB GLU 27 11.438 -1.027 3.567 229 HB3 GLU 27 3HB GLU 27 10.803 -2.304 4.596 230 HG2 GLU 27 2HG GLU 27 10.688 -3.834 2.805 231 HG3 GLU 27 3HG GLU 27 10.908 -2.565 1.603 232 H ALA 28 H ALA 28 8.713 -2.326 1.113 233 HA ALA 28 HA ALA 28 9.694 -0.351 -0.638 234 HB1 ALA 28 3HB ALA 28 7.476 -2.334 -1.147 235 HB2 ALA 28 1HB ALA 28 9.197 -2.661 -1.324 236 HB3 ALA 28 2HB ALA 28 8.416 -1.476 -2.368 237 H LEU 29 H LEU 29 6.400 -0.938 0.587 238 HA LEU 29 HA LEU 29 5.191 1.311 -0.619 239 HB2 LEU 29 2HB LEU 29 4.488 -0.280 1.849 240 HB3 LEU 29 3HB LEU 29 3.519 1.080 1.319 241 HG LEU 29 HG LEU 29 2.497 -0.984 0.588 242 HD11 LEU 29 1HD1 LEU 29 3.741 0.472 -1.749 243 HD12 LEU 29 2HD1 LEU 29 2.274 0.944 -0.889 244 HD13 LEU 29 3HD1 LEU 29 2.310 -0.561 -1.808 245 HD21 LEU 29 3HD2 LEU 29 5.060 -1.563 -0.903 246 HD22 LEU 29 1HD2 LEU 29 3.581 -2.523 -0.953 247 HD23 LEU 29 2HD2 LEU 29 4.501 -2.400 0.546 248 H ASN 30 H ASN 30 6.734 0.895 2.564 249 HA ASN 30 HA ASN 30 6.227 3.441 3.618 250 HB2 ASN 30 2HB ASN 30 8.516 1.518 4.063 251 HB3 ASN 30 3HB ASN 30 8.386 3.038 4.939 252 HD21 ASN 30 1HD2 ASN 30 5.592 1.124 4.040 253 HD22 ASN 30 2HD2 ASN 30 5.181 0.658 5.646 254 H LYS 31 H LYS 31 9.059 2.337 1.749 255 HA LYS 31 HA LYS 31 10.416 4.801 1.688 256 HB2 LYS 31 2HB LYS 31 10.519 2.420 -0.175 257 HB3 LYS 31 3HB LYS 31 11.611 3.794 -0.304 258 HG2 LYS 31 2HG LYS 31 12.472 3.360 1.930 259 HG3 LYS 31 3HG LYS 31 11.336 2.028 2.130 260 HD2 LYS 31 2HD LYS 31 13.487 2.133 0.006 261 HD3 LYS 31 3HD LYS 31 13.655 1.309 1.556 262 HE2 LYS 31 2HE LYS 31 11.656 -0.073 0.949 263 HE3 LYS 31 3HE LYS 31 11.693 0.668 -0.650 264 HZ1 LYS 31 3HZ LYS 31 12.812 -1.465 -0.653 265 HZ2 LYS 31 1HZ LYS 31 13.862 -0.957 0.570 266 HZ3 LYS 31 2HZ LYS 31 13.928 -0.233 -0.957 267 H ALA 32 H ALA 32 8.041 3.402 -0.552 268 HA ALA 32 HA ALA 32 8.135 5.449 -2.503 269 HB1 ALA 32 3HB ALA 32 5.989 4.562 -3.264 270 HB2 ALA 32 1HB ALA 32 5.827 3.640 -1.768 271 HB3 ALA 32 2HB ALA 32 7.117 3.254 -2.907 272 H ILE 33 H ILE 33 6.177 5.076 0.440 273 HA ILE 33 HA ILE 33 4.549 7.364 0.111 274 HB ILE 33 HB ILE 33 5.426 5.933 2.632 275 HG12 ILE 33 2HG1 ILE 33 2.793 5.860 1.127 276 HG13 ILE 33 3HG1 ILE 33 4.048 4.633 1.003 277 HG21 ILE 33 1HG2 ILE 33 3.302 8.062 2.310 278 HG22 ILE 33 2HG2 ILE 33 4.805 8.207 3.221 279 HG23 ILE 33 3HG2 ILE 33 3.553 7.089 3.758 280 HD11 ILE 33 3HD1 ILE 33 2.277 3.912 2.474 281 HD12 ILE 33 1HD1 ILE 33 2.496 5.342 3.480 282 HD13 ILE 33 2HD1 ILE 33 3.772 4.128 3.383 283 H VAL 34 H VAL 34 7.560 6.910 1.977 284 HA VAL 34 HA VAL 34 7.893 9.585 2.782 285 HB VAL 34 HB VAL 34 10.044 7.514 2.261 286 HG11 VAL 34 1HG1 VAL 34 11.405 8.815 3.842 287 HG12 VAL 34 2HG1 VAL 34 10.133 10.033 3.931 288 HG13 VAL 34 3HG1 VAL 34 10.985 9.757 2.413 289 HG21 VAL 34 3HG2 VAL 34 8.543 8.181 4.799 290 HG22 VAL 34 1HG2 VAL 34 9.885 7.042 4.667 291 HG23 VAL 34 2HG2 VAL 34 8.364 6.713 3.837 292 H SER 35 H SER 35 8.749 7.923 -0.197 293 HA SER 35 HA SER 35 10.258 10.046 -1.363 294 HB2 SER 35 2HB SER 35 10.419 7.715 -2.163 295 HB3 SER 35 3HB SER 35 8.748 7.791 -2.720 296 HG SER 35 HG SER 35 9.575 9.689 -4.009 297 H GLY 36 H GLY 36 6.898 9.572 -0.863 298 HA2 GLY 36 2HA GLY 36 5.124 10.982 -1.254 299 HA3 GLY 36 3HA GLY 36 6.254 12.142 -1.928 300 H THR 37 H THR 37 5.454 8.824 -2.997 301 HA THR 37 HA THR 37 4.338 9.976 -5.489 302 HB THR 37 HB THR 37 6.635 9.242 -5.963 303 HG1 THR 37 HG1 THR 37 4.691 7.482 -7.108 304 HG21 THR 37 3HG2 THR 37 6.904 7.511 -4.274 305 HG22 THR 37 1HG2 THR 37 7.213 6.840 -5.876 306 HG23 THR 37 2HG2 THR 37 5.681 6.515 -5.066 307 H VAL 38 H VAL 38 3.197 8.627 -2.993 308 HA VAL 38 HA VAL 38 1.957 6.252 -4.202 309 HB VAL 38 HB VAL 38 1.898 7.201 -1.326 310 HG11 VAL 38 1HG1 VAL 38 0.864 4.640 -2.563 311 HG12 VAL 38 2HG1 VAL 38 -0.115 5.935 -1.873 312 HG13 VAL 38 3HG1 VAL 38 0.942 4.981 -0.834 313 HG21 VAL 38 3HG2 VAL 38 3.384 5.298 -0.902 314 HG22 VAL 38 1HG2 VAL 38 4.114 6.452 -2.019 315 HG23 VAL 38 2HG2 VAL 38 3.427 4.946 -2.630 316 H GLN 39 H GLN 39 0.321 6.995 -5.498 317 HA GLN 39 HA GLN 39 -1.672 8.852 -4.480 318 HB2 GLN 39 2HB GLN 39 -1.667 7.208 -7.027 319 HB3 GLN 39 3HB GLN 39 -2.796 8.500 -6.639 320 HG2 GLN 39 2HG GLN 39 -0.915 10.103 -6.629 321 HG3 GLN 39 3HG GLN 39 0.173 8.792 -7.090 322 HE21 GLN 39 1HE2 GLN 39 0.723 9.780 -9.043 323 HE22 GLN 39 2HE2 GLN 39 -0.378 9.871 -10.368 324 H ARG 40 H ARG 40 -3.735 8.324 -3.797 325 HA ARG 40 HA ARG 40 -4.201 5.590 -2.985 326 HB2 ARG 40 2HB ARG 40 -4.970 8.049 -1.996 327 HB3 ARG 40 3HB ARG 40 -6.455 7.479 -2.751 328 HG2 ARG 40 2HG ARG 40 -6.505 6.798 -0.479 329 HG3 ARG 40 3HG ARG 40 -6.201 5.354 -1.448 330 HD2 ARG 40 2HD ARG 40 -3.713 5.801 -0.995 331 HD3 ARG 40 3HD ARG 40 -4.269 6.913 0.256 332 HE ARG 40 HE ARG 40 -4.534 4.005 0.245 333 HH11 ARG 40 1HH1 ARG 40 -5.103 7.008 1.840 334 HH12 ARG 40 2HH1 ARG 40 -5.418 6.255 3.362 335 HH21 ARG 40 1HH2 ARG 40 -4.935 3.063 2.176 336 HH22 ARG 40 2HH2 ARG 40 -5.359 4.030 3.546 337 H ALA 41 H ALA 41 -6.327 4.489 -3.458 338 HA ALA 41 HA ALA 41 -6.921 4.178 -6.163 339 HB1 ALA 41 3HB ALA 41 -8.946 3.026 -5.456 340 HB2 ALA 41 1HB ALA 41 -8.807 3.731 -3.845 341 HB3 ALA 41 2HB ALA 41 -7.596 2.583 -4.412 342 H ASP 42 H ASP 42 -8.451 6.289 -3.760 343 HA ASP 42 HA ASP 42 -10.279 7.605 -5.437 344 HB2 ASP 42 2HB ASP 42 -10.515 7.997 -3.119 345 HB3 ASP 42 3HB ASP 42 -8.814 8.404 -2.924 346 H GLY 43 H GLY 43 -7.003 8.639 -4.468 347 HA2 GLY 43 2HA GLY 43 -5.750 9.358 -6.674 348 HA3 GLY 43 3HA GLY 43 -6.966 10.628 -6.621 349 H SER 44 H SER 44 -6.884 10.607 -3.624 350 HA SER 44 HA SER 44 -5.063 12.675 -3.166 351 HB2 SER 44 2HB SER 44 -5.508 12.341 -0.774 352 HB3 SER 44 3HB SER 44 -7.002 12.215 -1.702 353 HG SER 44 HG SER 44 -7.146 10.445 -0.519 354 H ILE 45 H ILE 45 -3.016 12.798 -2.245 355 HA ILE 45 HA ILE 45 -1.313 10.498 -2.553 356 HB ILE 45 HB ILE 45 -0.686 13.234 -1.416 357 HG12 ILE 45 2HG1 ILE 45 -1.403 13.333 -3.763 358 HG13 ILE 45 3HG1 ILE 45 0.312 13.693 -3.623 359 HG21 ILE 45 1HG2 ILE 45 0.922 11.582 -0.634 360 HG22 ILE 45 2HG2 ILE 45 1.673 12.659 -1.813 361 HG23 ILE 45 3HG2 ILE 45 1.189 11.030 -2.290 362 HD11 ILE 45 3HD1 ILE 45 -0.122 12.289 -5.541 363 HD12 ILE 45 1HD1 ILE 45 -0.885 11.078 -4.516 364 HD13 ILE 45 2HD1 ILE 45 0.839 11.414 -4.353 365 H GLN 46 H GLN 46 -0.863 9.003 -1.058 366 HA GLN 46 HA GLN 46 -1.806 9.313 1.662 367 HB2 GLN 46 2HB GLN 46 -2.103 7.157 0.576 368 HB3 GLN 46 3HB GLN 46 -0.370 7.019 0.299 369 HG2 GLN 46 2HG GLN 46 0.002 6.942 2.724 370 HG3 GLN 46 3HG GLN 46 -1.737 7.055 2.990 371 HE21 GLN 46 1HE2 GLN 46 0.146 4.980 3.763 372 HE22 GLN 46 2HE2 GLN 46 -0.424 3.518 3.050 373 H ASN 47 H ASN 47 -0.611 10.509 3.025 374 HA ASN 47 HA ASN 47 2.316 10.390 2.919 375 HB2 ASN 47 2HB ASN 47 0.491 12.105 4.624 376 HB3 ASN 47 3HB ASN 47 2.247 12.239 4.550 377 HD21 ASN 47 1HD2 ASN 47 -0.732 12.773 2.849 378 HD22 ASN 47 2HD2 ASN 47 -0.075 13.799 1.628 379 H GLN 48 H GLN 48 -0.176 8.794 4.502 380 HA GLN 48 HA GLN 48 1.064 8.410 7.064 381 HB2 GLN 48 2HB GLN 48 -1.170 6.885 5.703 382 HB3 GLN 48 3HB GLN 48 -0.665 6.642 7.369 383 HG2 GLN 48 2HG GLN 48 -1.299 8.938 7.910 384 HG3 GLN 48 3HG GLN 48 -1.787 9.201 6.236 385 HE21 GLN 48 1HE2 GLN 48 -3.360 9.342 8.712 386 HE22 GLN 48 2HE2 GLN 48 -4.667 8.237 8.496 387 H SER 49 H SER 49 3.051 7.463 7.023 388 HA SER 49 HA SER 49 3.740 5.283 5.316 389 HB2 SER 49 2HB SER 49 5.778 5.112 6.769 390 HB3 SER 49 3HB SER 49 5.499 6.726 6.124 391 HG SER 49 HG SER 49 5.467 5.830 8.727 392 H LEU 50 H LEU 50 2.040 3.788 5.666 393 HA LEU 50 HA LEU 50 1.283 2.752 8.144 394 HB2 LEU 50 2HB LEU 50 0.456 0.754 6.752 395 HB3 LEU 50 3HB LEU 50 -0.239 2.334 6.458 396 HG LEU 50 HG LEU 50 1.307 2.554 4.472 397 HD11 LEU 50 1HD1 LEU 50 2.239 0.481 3.525 398 HD12 LEU 50 2HD1 LEU 50 1.806 -0.373 5.007 399 HD13 LEU 50 3HD1 LEU 50 2.999 0.925 5.052 400 HD21 LEU 50 3HD2 LEU 50 -0.659 0.260 4.438 401 HD22 LEU 50 1HD2 LEU 50 -0.057 1.127 3.023 402 HD23 LEU 50 2HD2 LEU 50 -1.049 1.966 4.216 403 H HIS 51 H HIS 51 1.856 1.003 9.363 404 HA HIS 51 HA HIS 51 4.474 -0.204 8.748 405 HB2 HIS 51 2HB HIS 51 3.027 -0.081 11.404 406 HB3 HIS 51 3HB HIS 51 4.674 -0.638 11.133 407 HD1 HIS 51 HD1 HIS 51 2.864 2.258 12.189 408 HD2 HIS 51 HD2 HIS 51 6.335 1.605 9.990 409 HE1 HIS 51 HE1 HIS 51 4.124 4.427 12.255 410 HE2 HIS 51 HE2 HIS 51 6.128 4.057 10.789 411 H GLU 52 H GLU 52 1.393 -0.939 8.236 412 HA GLU 52 HA GLU 52 1.903 -3.722 7.909 413 HB2 GLU 52 2HB GLU 52 1.341 -3.527 10.386 414 HB3 GLU 52 3HB GLU 52 -0.279 -3.050 9.896 415 HG2 GLU 52 2HG GLU 52 -0.614 -5.185 8.801 416 HG3 GLU 52 3HG GLU 52 1.045 -5.659 9.164 417 H ALA 53 H ALA 53 0.427 -4.667 6.478 418 HA ALA 53 HA ALA 53 -1.951 -3.251 5.650 419 HB1 ALA 53 3HB ALA 53 -0.222 -1.916 4.561 420 HB2 ALA 53 1HB ALA 53 -1.197 -2.780 3.370 421 HB3 ALA 53 2HB ALA 53 0.419 -3.361 3.780 422 H LEU 54 H LEU 54 -2.925 -4.286 3.645 423 HA LEU 54 HA LEU 54 -2.444 -7.203 3.676 424 HB2 LEU 54 2HB LEU 54 -4.962 -5.670 2.992 425 HB3 LEU 54 3HB LEU 54 -4.788 -7.410 2.872 426 HG LEU 54 HG LEU 54 -4.594 -5.821 5.439 427 HD11 LEU 54 1HD1 LEU 54 -6.860 -5.804 4.572 428 HD12 LEU 54 2HD1 LEU 54 -6.751 -6.846 5.992 429 HD13 LEU 54 3HD1 LEU 54 -6.824 -7.558 4.379 430 HD21 LEU 54 3HD2 LEU 54 -3.239 -7.866 5.462 431 HD22 LEU 54 1HD2 LEU 54 -4.651 -8.810 4.984 432 HD23 LEU 54 2HD2 LEU 54 -4.621 -7.991 6.548 433 H ILE 55 H ILE 55 -1.759 -8.147 1.848 434 HA ILE 55 HA ILE 55 -1.722 -6.561 -0.632 435 HB ILE 55 HB ILE 55 0.462 -7.372 0.118 436 HG12 ILE 55 2HG1 ILE 55 1.162 -8.577 -1.949 437 HG13 ILE 55 3HG1 ILE 55 -0.534 -8.806 -2.365 438 HG21 ILE 55 1HG2 ILE 55 1.002 -9.757 0.191 439 HG22 ILE 55 2HG2 ILE 55 -0.686 -10.152 -0.140 440 HG23 ILE 55 3HG2 ILE 55 -0.249 -9.342 1.365 441 HD11 ILE 55 3HD1 ILE 55 0.877 -6.160 -2.097 442 HD12 ILE 55 1HD1 ILE 55 -0.818 -6.388 -2.534 443 HD13 ILE 55 2HD1 ILE 55 0.457 -6.971 -3.607 444 H THR 56 H THR 56 -2.846 -7.199 -2.422 445 HA THR 56 HA THR 56 -4.717 -9.361 -2.254 446 HB THR 56 HB THR 56 -5.280 -8.841 -4.589 447 HG1 THR 56 HG1 THR 56 -4.071 -7.554 -5.818 448 HG21 THR 56 3HG2 THR 56 -6.320 -7.481 -2.866 449 HG22 THR 56 1HG2 THR 56 -5.976 -6.491 -4.285 450 HG23 THR 56 2HG2 THR 56 -4.939 -6.382 -2.863 451 H ARG 57 H ARG 57 -4.790 -11.227 -3.704 452 HA ARG 57 HA ARG 57 -2.258 -12.542 -3.585 453 HB2 ARG 57 2HB ARG 57 -5.038 -13.395 -4.219 454 HB3 ARG 57 3HB ARG 57 -3.716 -14.430 -4.750 455 HG2 ARG 57 2HG ARG 57 -2.884 -14.598 -2.475 456 HG3 ARG 57 3HG ARG 57 -4.132 -13.487 -1.911 457 HD2 ARG 57 2HD ARG 57 -5.849 -15.057 -2.286 458 HD3 ARG 57 3HD ARG 57 -4.818 -16.069 -3.297 459 HE ARG 57 HE ARG 57 -3.931 -17.033 -1.405 460 HH11 ARG 57 1HH1 ARG 57 -5.765 -14.268 -0.465 461 HH12 ARG 57 2HH1 ARG 57 -5.785 -14.727 1.201 462 HH21 ARG 57 1HH2 ARG 57 -3.977 -17.595 0.730 463 HH22 ARG 57 2HH2 ARG 57 -4.803 -16.582 1.864 464 H ASP 58 H ASP 58 -3.668 -10.721 -6.139 465 HA ASP 58 HA ASP 58 -1.719 -11.951 -7.988 466 HB2 ASP 58 2HB ASP 58 -4.224 -11.364 -8.622 467 HB3 ASP 58 3HB ASP 58 -3.556 -9.756 -8.885 468 H ARG 59 H ARG 59 -1.668 -9.783 -5.641 469 HA ARG 59 HA ARG 59 -0.156 -8.250 -4.943 470 HB2 ARG 59 2HB ARG 59 1.400 -9.023 -7.423 471 HB3 ARG 59 3HB ARG 59 2.025 -8.073 -6.091 472 HG2 ARG 59 2HG ARG 59 2.891 -10.192 -5.717 473 HG3 ARG 59 3HG ARG 59 1.509 -10.116 -4.624 474 HD2 ARG 59 2HD ARG 59 1.831 -12.257 -6.000 475 HD3 ARG 59 3HD ARG 59 0.221 -11.539 -5.972 476 HE ARG 59 HE ARG 59 0.881 -10.504 -8.172 477 HH11 ARG 59 1HH1 ARG 59 2.276 -13.479 -7.144 478 HH12 ARG 59 2HH1 ARG 59 2.539 -14.034 -8.758 479 HH21 ARG 59 1HH2 ARG 59 1.174 -11.233 -10.219 480 HH22 ARG 59 2HH2 ARG 59 1.922 -12.767 -10.490 481 H LYS 60 H LYS 60 -2.330 -7.350 -6.770 482 HA LYS 60 HA LYS 60 -1.007 -5.145 -8.197 483 HB2 LYS 60 2HB LYS 60 -3.876 -6.078 -8.360 484 HB3 LYS 60 3HB LYS 60 -3.155 -4.802 -9.335 485 HG2 LYS 60 2HG LYS 60 -1.478 -6.623 -10.084 486 HG3 LYS 60 3HG LYS 60 -2.660 -7.763 -9.437 487 HD2 LYS 60 2HD LYS 60 -3.046 -7.483 -11.809 488 HD3 LYS 60 3HD LYS 60 -4.384 -6.746 -10.918 489 HE2 LYS 60 2HE LYS 60 -3.391 -4.539 -11.218 490 HE3 LYS 60 3HE LYS 60 -2.006 -5.251 -12.043 491 HZ1 LYS 60 3HZ LYS 60 -3.589 -6.076 -13.748 492 HZ2 LYS 60 1HZ LYS 60 -3.488 -4.390 -13.665 493 HZ3 LYS 60 2HZ LYS 60 -4.815 -5.185 -12.990 494 H GLN 61 H GLN 61 -3.304 -5.679 -5.562 495 HA GLN 61 HA GLN 61 -3.291 -2.761 -5.084 496 HB2 GLN 61 2HB GLN 61 -5.627 -4.659 -4.763 497 HB3 GLN 61 3HB GLN 61 -5.618 -2.989 -4.209 498 HG2 GLN 61 2HG GLN 61 -5.324 -2.208 -6.494 499 HG3 GLN 61 3HG GLN 61 -5.270 -3.873 -7.071 500 HE21 GLN 61 1HE2 GLN 61 -7.476 -2.810 -4.567 501 HE22 GLN 61 2HE2 GLN 61 -8.908 -2.954 -5.517 502 H VAL 62 H VAL 62 -3.156 -2.040 -2.977 503 HA VAL 62 HA VAL 62 -2.759 -4.089 -0.874 504 HB VAL 62 HB VAL 62 -1.322 -1.424 -1.115 505 HG11 VAL 62 1HG1 VAL 62 0.017 -2.206 0.791 506 HG12 VAL 62 2HG1 VAL 62 -0.996 -3.643 0.912 507 HG13 VAL 62 3HG1 VAL 62 -1.687 -2.049 1.216 508 HG21 VAL 62 3HG2 VAL 62 -0.523 -3.044 -2.763 509 HG22 VAL 62 1HG2 VAL 62 -0.275 -4.235 -1.486 510 HG23 VAL 62 2HG2 VAL 62 0.693 -2.761 -1.519 511 H PHE 63 H PHE 63 -3.949 -3.859 0.957 512 HA PHE 63 HA PHE 63 -5.565 -1.416 1.283 513 HB2 PHE 63 2HB PHE 63 -5.968 -4.220 2.350 514 HB3 PHE 63 3HB PHE 63 -6.959 -2.844 2.829 515 HD1 PHE 63 HD2 PHE 63 -5.985 -4.980 -0.034 516 HD2 PHE 63 HD1 PHE 63 -8.706 -2.047 1.438 517 HE1 PHE 63 HE2 PHE 63 -7.436 -5.342 -1.991 518 HE2 PHE 63 HE1 PHE 63 -10.156 -2.408 -0.516 519 HZ PHE 63 HZ PHE 63 -9.525 -4.054 -2.233 520 H ARG 64 H ARG 64 -5.969 -0.701 3.570 521 HA ARG 64 HA ARG 64 -3.339 -0.634 4.896 522 HB2 ARG 64 2HB ARG 64 -4.409 1.474 3.951 523 HB3 ARG 64 3HB ARG 64 -5.592 1.354 5.241 524 HG2 ARG 64 2HG ARG 64 -2.656 1.418 5.859 525 HG3 ARG 64 3HG ARG 64 -3.533 2.907 5.521 526 HD2 ARG 64 2HD ARG 64 -4.174 0.930 7.715 527 HD3 ARG 64 3HD ARG 64 -3.369 2.480 7.929 528 HE ARG 64 HE ARG 64 -6.158 2.031 7.765 529 HH11 ARG 64 1HH1 ARG 64 -3.743 4.300 6.830 530 HH12 ARG 64 2HH1 ARG 64 -4.832 5.637 6.836 531 HH21 ARG 64 1HH2 ARG 64 -7.546 3.758 7.824 532 HH22 ARG 64 2HH2 ARG 64 -6.967 5.330 7.392 533 H ILE 65 H ILE 65 -3.051 -1.320 6.942 534 HA ILE 65 HA ILE 65 -5.435 -1.923 8.579 535 HB ILE 65 HB ILE 65 -2.615 -2.973 8.935 536 HG12 ILE 65 2HG1 ILE 65 -5.076 -4.356 7.816 537 HG13 ILE 65 3HG1 ILE 65 -3.679 -3.830 6.877 538 HG21 ILE 65 1HG2 ILE 65 -5.205 -3.701 10.319 539 HG22 ILE 65 2HG2 ILE 65 -3.829 -2.867 11.041 540 HG23 ILE 65 3HG2 ILE 65 -3.672 -4.548 10.528 541 HD11 ILE 65 3HD1 ILE 65 -2.273 -5.410 8.107 542 HD12 ILE 65 1HD1 ILE 65 -3.614 -6.218 7.298 543 HD13 ILE 65 2HD1 ILE 65 -3.677 -5.932 9.036 544 H GLU 66 H GLU 66 -5.783 -0.772 10.394 545 HA GLU 66 HA GLU 66 -3.565 0.822 11.517 546 HB2 GLU 66 2HB GLU 66 -5.139 2.664 11.960 547 HB3 GLU 66 3HB GLU 66 -4.998 2.329 10.238 548 HG2 GLU 66 2HG GLU 66 -7.115 1.128 10.278 549 HG3 GLU 66 3HG GLU 66 -7.257 1.406 12.013 550 H ASP 67 H ASP 67 -3.531 1.043 13.750 551 HA ASP 67 HA ASP 67 -3.790 0.391 15.909 552 HB2 ASP 67 2HB ASP 67 -5.938 1.479 15.868 553 HB3 ASP 67 3HB ASP 67 -6.669 0.131 15.008 554 H SER 68 H SER 68 -6.247 -1.796 14.618 555 HA SER 68 HA SER 68 -4.492 -4.093 14.532 556 HB2 SER 68 2HB SER 68 -6.715 -3.971 16.605 557 HB3 SER 68 3HB SER 68 -5.817 -5.427 16.177 558 HG SER 68 HG SER 68 -4.487 -3.095 17.076 559 H ILE 69 H ILE 69 -6.618 -2.435 13.014 560 HA ILE 69 HA ILE 69 -8.567 -4.578 12.434 561 HB ILE 69 HB ILE 69 -9.016 -1.593 12.216 562 HG12 ILE 69 2HG1 ILE 69 -8.762 -2.204 14.563 563 HG13 ILE 69 3HG1 ILE 69 -10.451 -1.849 14.227 564 HG21 ILE 69 1HG2 ILE 69 -10.392 -2.858 10.673 565 HG22 ILE 69 2HG2 ILE 69 -11.389 -2.209 11.976 566 HG23 ILE 69 3HG2 ILE 69 -10.934 -3.912 11.981 567 HD11 ILE 69 3HD1 ILE 69 -10.936 -4.240 14.149 568 HD12 ILE 69 1HD1 ILE 69 -10.215 -3.766 15.688 569 HD13 ILE 69 2HD1 ILE 69 -9.238 -4.593 14.474 570 HA PRO 70 HA PRO 70 -7.003 -4.155 8.214 571 HB2 PRO 70 2HB PRO 70 -8.503 -6.106 7.106 572 HB3 PRO 70 3HB PRO 70 -7.116 -6.462 8.141 573 HG2 PRO 70 2HG PRO 70 -10.037 -6.470 8.822 574 HG3 PRO 70 3HG PRO 70 -8.780 -7.637 9.275 575 HD2 PRO 70 2HD PRO 70 -9.678 -5.655 10.939 576 HD3 PRO 70 3HD PRO 70 -8.044 -6.345 11.030 577 H VAL 71 H VAL 71 -7.748 -2.197 7.462 578 HA VAL 71 HA VAL 71 -10.563 -1.672 7.066 579 HB VAL 71 HB VAL 71 -8.207 -0.022 6.118 580 HG11 VAL 71 1HG1 VAL 71 -9.800 1.845 6.160 581 HG12 VAL 71 2HG1 VAL 71 -11.087 0.736 6.637 582 HG13 VAL 71 3HG1 VAL 71 -10.325 0.574 5.056 583 HG21 VAL 71 3HG2 VAL 71 -9.703 0.140 8.740 584 HG22 VAL 71 1HG2 VAL 71 -8.469 1.275 8.189 585 HG23 VAL 71 2HG2 VAL 71 -8.039 -0.402 8.526 586 H LEU 72 H LEU 72 -11.626 -2.561 5.384 587 HA LEU 72 HA LEU 72 -10.122 -3.286 2.963 588 HB2 LEU 72 2HB LEU 72 -12.906 -4.132 3.778 589 HB3 LEU 72 3HB LEU 72 -11.949 -4.799 2.467 590 HG LEU 72 HG LEU 72 -11.454 -5.094 5.433 591 HD11 LEU 72 1HD1 LEU 72 -12.038 -7.117 3.271 592 HD12 LEU 72 2HD1 LEU 72 -13.157 -6.570 4.521 593 HD13 LEU 72 3HD1 LEU 72 -11.712 -7.478 4.968 594 HD21 LEU 72 3HD2 LEU 72 -9.482 -6.429 4.851 595 HD22 LEU 72 1HD2 LEU 72 -9.306 -4.752 4.333 596 HD23 LEU 72 2HD2 LEU 72 -9.694 -6.001 3.152 597 H LEU 73 H LEU 73 -11.433 -0.566 3.740 598 HA LEU 73 HA LEU 73 -13.456 -0.060 1.827 599 HB2 LEU 73 2HB LEU 73 -11.518 1.859 3.139 600 HB3 LEU 73 3HB LEU 73 -12.931 2.336 2.214 601 HG LEU 73 HG LEU 73 -12.961 0.790 4.815 602 HD11 LEU 73 1HD1 LEU 73 -13.764 3.634 4.189 603 HD12 LEU 73 2HD1 LEU 73 -12.357 3.129 5.126 604 HD13 LEU 73 3HD1 LEU 73 -13.982 2.819 5.738 605 HD21 LEU 73 3HD2 LEU 73 -15.252 1.802 3.127 606 HD22 LEU 73 1HD2 LEU 73 -15.393 1.065 4.724 607 HD23 LEU 73 2HD2 LEU 73 -14.800 0.113 3.365 608 HA PRO 74 HA PRO 74 -11.037 -0.257 -1.917 609 HB2 PRO 74 2HB PRO 74 -12.731 1.288 -3.488 610 HB3 PRO 74 3HB PRO 74 -12.939 -0.438 -3.174 611 HG2 PRO 74 2HG PRO 74 -14.243 1.901 -1.835 612 HG3 PRO 74 3HG PRO 74 -14.956 0.355 -2.338 613 HD2 PRO 74 2HD PRO 74 -14.342 0.819 0.226 614 HD3 PRO 74 3HD PRO 74 -14.084 -0.786 -0.494 615 H GLU 75 H GLU 75 -12.173 2.791 -0.595 616 HA GLU 75 HA GLU 75 -10.658 4.604 -2.098 617 HB2 GLU 75 2HB GLU 75 -11.360 4.847 0.838 618 HB3 GLU 75 3HB GLU 75 -11.029 6.165 -0.281 619 HG2 GLU 75 2HG GLU 75 -13.369 4.270 -0.484 620 HG3 GLU 75 3HG GLU 75 -13.428 5.879 0.232 621 H GLU 76 H GLU 76 -9.817 2.654 0.711 622 HA GLU 76 HA GLU 76 -7.311 3.932 1.254 623 HB2 GLU 76 2HB GLU 76 -8.441 1.275 2.163 624 HB3 GLU 76 3HB GLU 76 -6.948 1.972 2.769 625 HG2 GLU 76 2HG GLU 76 -9.672 3.239 3.021 626 HG3 GLU 76 3HG GLU 76 -8.872 2.296 4.278 627 H ALA 77 H ALA 77 -8.235 1.770 -1.163 628 HA ALA 77 HA ALA 77 -6.088 -0.069 -1.182 629 HB1 ALA 77 3HB ALA 77 -8.209 -0.498 -2.319 630 HB2 ALA 77 1HB ALA 77 -6.841 -0.667 -3.422 631 HB3 ALA 77 2HB ALA 77 -7.851 0.780 -3.481 632 H ILE 78 H ILE 78 -4.117 -0.056 -2.072 633 HA ILE 78 HA ILE 78 -3.230 2.327 -3.574 634 HB ILE 78 HB ILE 78 -1.611 0.352 -1.943 635 HG12 ILE 78 2HG1 ILE 78 -2.859 1.943 -0.573 636 HG13 ILE 78 3HG1 ILE 78 -1.139 2.310 -0.511 637 HG21 ILE 78 1HG2 ILE 78 0.332 1.805 -2.423 638 HG22 ILE 78 2HG2 ILE 78 -0.659 2.732 -3.549 639 HG23 ILE 78 3HG2 ILE 78 -0.311 1.034 -3.874 640 HD11 ILE 78 3HD1 ILE 78 -2.430 4.336 -0.683 641 HD12 ILE 78 1HD1 ILE 78 -3.208 3.755 -2.151 642 HD13 ILE 78 2HD1 ILE 78 -1.478 4.104 -2.149 643 H ALA 79 H ALA 79 -2.693 2.076 -5.671 644 HA ALA 79 HA ALA 79 -2.638 -0.543 -6.895 645 HB1 ALA 79 3HB ALA 79 -3.677 1.360 -8.039 646 HB2 ALA 79 1HB ALA 79 -2.364 0.676 -8.998 647 HB3 ALA 79 2HB ALA 79 -2.118 2.179 -8.105 648 H THR 80 H THR 80 -0.856 -1.773 -6.652 649 HA THR 80 HA THR 80 1.687 -0.848 -5.890 650 HB THR 80 HB THR 80 2.521 -3.080 -6.346 651 HG1 THR 80 HG1 THR 80 0.897 -4.567 -7.357 652 HG21 THR 80 3HG2 THR 80 1.117 -2.822 -4.352 653 HG22 THR 80 1HG2 THR 80 0.903 -4.420 -5.069 654 HG23 THR 80 2HG2 THR 80 -0.321 -3.175 -5.309 655 H ILE 81 H ILE 81 0.257 -0.972 -9.007 656 HA ILE 81 HA ILE 81 2.477 -1.352 -10.664 657 HB ILE 81 HB ILE 81 0.133 -1.439 -11.443 658 HG12 ILE 81 2HG1 ILE 81 0.478 -0.293 -13.623 659 HG13 ILE 81 3HG1 ILE 81 1.866 0.549 -12.941 660 HG21 ILE 81 1HG2 ILE 81 -0.757 0.477 -10.234 661 HG22 ILE 81 2HG2 ILE 81 -1.081 0.629 -11.961 662 HG23 ILE 81 3HG2 ILE 81 0.213 1.571 -11.220 663 HD11 ILE 81 3HD1 ILE 81 1.615 -2.432 -13.287 664 HD12 ILE 81 1HD1 ILE 81 3.012 -1.576 -12.632 665 HD13 ILE 81 2HD1 ILE 81 2.542 -1.339 -14.316 666 H GLN 82 H GLN 82 1.446 1.488 -8.907 667 HA GLN 82 HA GLN 82 3.200 3.297 -10.356 668 HB2 GLN 82 2HB GLN 82 2.405 5.004 -8.854 669 HB3 GLN 82 3HB GLN 82 1.022 4.031 -9.347 670 HG2 GLN 82 2HG GLN 82 1.218 2.771 -7.216 671 HG3 GLN 82 3HG GLN 82 2.498 3.873 -6.722 672 HE21 GLN 82 1HE2 GLN 82 -0.089 3.345 -5.506 673 HE22 GLN 82 2HE2 GLN 82 -0.905 4.861 -5.429 674 H ILE 83 H ILE 83 3.367 1.262 -7.546 675 HA ILE 83 HA ILE 83 5.451 2.704 -6.199 676 HB ILE 83 HB ILE 83 4.594 -0.167 -5.756 677 HG12 ILE 83 2HG1 ILE 83 2.666 1.351 -5.553 678 HG13 ILE 83 3HG1 ILE 83 3.130 0.711 -3.980 679 HG21 ILE 83 1HG2 ILE 83 6.036 1.786 -3.952 680 HG22 ILE 83 2HG2 ILE 83 6.746 0.378 -4.746 681 HG23 ILE 83 3HG2 ILE 83 5.517 0.161 -3.500 682 HD11 ILE 83 3HD1 ILE 83 2.556 3.054 -3.828 683 HD12 ILE 83 1HD1 ILE 83 3.775 3.454 -5.040 684 HD13 ILE 83 2HD1 ILE 83 4.266 2.816 -3.471 685 H ALA 84 H ALA 84 7.289 2.909 -7.399 686 HA ALA 84 HA ALA 84 8.433 0.892 -9.021 687 HB1 ALA 84 3HB ALA 84 10.396 2.334 -9.119 688 HB2 ALA 84 1HB ALA 84 9.777 3.290 -7.770 689 HB3 ALA 84 2HB ALA 84 8.917 3.275 -9.311 690 H ASN 85 H ASN 85 8.860 1.729 -5.651 691 HA ASN 85 HA ASN 85 11.186 0.154 -5.178 692 HB2 ASN 85 2HB ASN 85 9.126 1.020 -3.133 693 HB3 ASN 85 3HB ASN 85 10.817 0.622 -2.844 694 HD21 ASN 85 1HD2 ASN 85 12.404 2.115 -3.404 695 HD22 ASN 85 2HD2 ASN 85 12.028 3.762 -3.764 696 H PHE 86 H PHE 86 7.914 -0.698 -5.605 697 HA PHE 86 HA PHE 86 7.568 -2.839 -3.847 698 HB2 PHE 86 2HB PHE 86 5.875 -1.627 -5.389 699 HB3 PHE 86 3HB PHE 86 6.390 -2.770 -6.623 700 HD1 PHE 86 HD1 PHE 86 4.933 -2.493 -3.250 701 HD2 PHE 86 HD2 PHE 86 5.496 -4.962 -6.671 702 HE1 PHE 86 HE1 PHE 86 3.333 -4.129 -2.328 703 HE2 PHE 86 HE2 PHE 86 3.901 -6.602 -5.758 704 HZ PHE 86 HZ PHE 86 2.816 -6.186 -3.585 705 HA PRO 87 HA PRO 87 10.284 -6.046 -5.415 706 HB2 PRO 87 2HB PRO 87 8.723 -8.212 -4.634 707 HB3 PRO 87 3HB PRO 87 9.874 -7.362 -3.599 708 HG2 PRO 87 2HG PRO 87 6.907 -7.030 -3.803 709 HG3 PRO 87 3HG PRO 87 7.939 -7.045 -2.358 710 HD2 PRO 87 2HD PRO 87 7.011 -4.745 -3.360 711 HD3 PRO 87 3HD PRO 87 8.654 -4.852 -2.693 712 H ASP 88 H ASP 88 10.204 -7.972 -6.849 713 HA ASP 88 HA ASP 88 8.759 -7.375 -9.231 714 HB2 ASP 88 2HB ASP 88 9.867 -9.437 -10.103 715 HB3 ASP 88 3HB ASP 88 10.984 -8.287 -9.374 716 H LYS 89 H LYS 89 7.278 -8.730 -10.376 717 HA LYS 89 HA LYS 89 5.699 -10.543 -8.666 718 HB2 LYS 89 2HB LYS 89 3.624 -9.662 -9.658 719 HB3 LYS 89 3HB LYS 89 4.503 -8.426 -8.775 720 HG2 LYS 89 2HG LYS 89 4.646 -8.724 -11.775 721 HG3 LYS 89 3HG LYS 89 3.462 -7.706 -10.960 722 HD2 LYS 89 2HD LYS 89 6.468 -7.414 -10.748 723 HD3 LYS 89 3HD LYS 89 5.414 -6.419 -11.754 724 HE2 LYS 89 2HE LYS 89 4.220 -5.694 -9.695 725 HE3 LYS 89 3HE LYS 89 5.381 -6.617 -8.740 726 HZ1 LYS 89 3HZ LYS 89 7.129 -5.196 -9.407 727 HZ2 LYS 89 1HZ LYS 89 5.854 -4.175 -8.973 728 HZ3 LYS 89 2HZ LYS 89 6.198 -4.457 -10.605 729 H LEU 90 H LEU 90 5.257 -12.468 -9.538 730 HA LEU 90 HA LEU 90 6.157 -12.946 -12.295 731 HB2 LEU 90 2HB LEU 90 5.749 -14.830 -9.969 732 HB3 LEU 90 3HB LEU 90 6.121 -15.376 -11.592 733 HG LEU 90 HG LEU 90 8.253 -14.038 -11.474 734 HD11 LEU 90 1HD1 LEU 90 9.085 -13.403 -9.256 735 HD12 LEU 90 2HD1 LEU 90 7.511 -13.790 -8.560 736 HD13 LEU 90 3HD1 LEU 90 7.663 -12.471 -9.722 737 HD21 LEU 90 3HD2 LEU 90 9.429 -15.672 -10.081 738 HD22 LEU 90 1HD2 LEU 90 8.244 -16.444 -11.138 739 HD23 LEU 90 2HD2 LEU 90 7.886 -16.222 -9.424 740 H GLU 91 H GLU 91 4.995 -15.078 -13.187 741 HA GLU 91 HA GLU 91 2.424 -14.214 -14.008 742 HB2 GLU 91 2HB GLU 91 3.705 -16.939 -14.339 743 HB3 GLU 91 3HB GLU 91 2.377 -16.295 -15.294 744 HG2 GLU 91 2HG GLU 91 3.772 -14.697 -16.342 745 HG3 GLU 91 3HG GLU 91 5.070 -14.963 -15.181 746 H HIS 92 H HIS 92 0.539 -14.396 -12.902 747 HA HIS 92 HA HIS 92 0.251 -16.627 -10.983 748 HB2 HIS 92 2HB HIS 92 0.263 -14.317 -10.022 749 HB3 HIS 92 3HB HIS 92 -1.198 -13.967 -10.942 750 HD1 HIS 92 HD1 HIS 92 -0.105 -16.670 -8.488 751 HD2 HIS 92 HD2 HIS 92 -3.416 -14.341 -9.419 752 HE1 HIS 92 HE1 HIS 92 -1.870 -17.322 -6.833 753 HE2 HIS 92 HE2 HIS 92 -3.910 -16.030 -7.523 754 H HIS 93 H HIS 93 -0.454 -16.549 -13.939 755 HA HIS 93 HA HIS 93 -3.275 -16.623 -14.188 756 HB2 HIS 93 2HB HIS 93 -2.883 -17.818 -16.318 757 HB3 HIS 93 3HB HIS 93 -1.857 -16.399 -16.163 758 HD1 HIS 93 HD1 HIS 93 -1.705 -20.157 -16.107 759 HD2 HIS 93 HD2 HIS 93 0.873 -16.906 -16.195 760 HE1 HIS 93 HE1 HIS 93 0.557 -21.113 -16.597 761 HE2 HIS 93 HE2 HIS 93 2.123 -19.156 -16.398 762 H HIS 94 H HIS 94 -4.711 -18.095 -13.468 763 HA HIS 94 HA HIS 94 -3.655 -20.644 -12.434 764 HB2 HIS 94 2HB HIS 94 -5.612 -20.700 -10.957 765 HB3 HIS 94 3HB HIS 94 -4.684 -19.221 -10.741 766 HD1 HIS 94 HD1 HIS 94 -5.967 -17.080 -10.880 767 HD2 HIS 94 HD2 HIS 94 -8.071 -20.272 -12.517 768 HE1 HIS 94 HE1 HIS 94 -8.250 -16.186 -11.412 769 HE2 HIS 94 HE2 HIS 94 -9.473 -18.098 -12.483 770 H HIS 95 H HIS 95 -4.601 -22.595 -12.873 771 HA HIS 95 HA HIS 95 -5.935 -23.036 -15.302 772 HB2 HIS 95 2HB HIS 95 -4.639 -24.787 -14.253 773 HB3 HIS 95 3HB HIS 95 -5.676 -24.769 -12.832 774 HD1 HIS 95 HD1 HIS 95 -5.765 -25.735 -16.489 775 HD2 HIS 95 HD2 HIS 95 -7.846 -26.460 -12.969 776 HE1 HIS 95 HE1 HIS 95 -7.375 -27.580 -17.031 777 HE2 HIS 95 HE2 HIS 95 -8.503 -28.110 -14.849 778 H HIS 96 H HIS 96 -8.028 -23.005 -15.885 779 HA HIS 96 HA HIS 96 -10.090 -22.619 -13.809 780 HB2 HIS 96 2HB HIS 96 -11.520 -21.783 -15.642 781 HB3 HIS 96 3HB HIS 96 -10.023 -20.870 -15.519 782 HD1 HIS 96 HD1 HIS 96 -11.650 -23.534 -17.673 783 HD2 HIS 96 HD2 HIS 96 -8.503 -20.816 -17.803 784 HE1 HIS 96 HE1 HIS 96 -10.806 -23.591 -20.034 785 HE2 HIS 96 HE2 HIS 96 -8.785 -22.093 -20.029 786 H HIS 97 H HIS 97 -12.295 -23.645 -14.405 787 HA HIS 97 HA HIS 97 -12.039 -26.417 -14.497 788 HB2 HIS 97 2HB HIS 97 -14.433 -26.576 -14.698 789 HB3 HIS 97 3HB HIS 97 -14.051 -25.239 -13.625 790 HD1 HIS 97 HD1 HIS 97 -15.160 -25.864 -17.196 791 HD2 HIS 97 HD2 HIS 97 -15.243 -22.863 -14.329 792 HE1 HIS 97 HE1 HIS 97 -16.654 -24.086 -18.132 793 HE2 HIS 97 HE2 HIS 97 -16.820 -22.357 -16.317 Start of MODEL 10 1 H1 MET 1 1H MET 1 -2.738 -14.591 20.918 2 H2 MET 1 2H MET 1 -3.915 -14.371 19.727 3 H3 MET 1 3H MET 1 -3.277 -13.034 20.545 4 HA MET 1 HA MET 1 -1.125 -13.390 19.595 5 HB2 MET 1 2HB MET 1 -0.902 -15.119 17.764 6 HB3 MET 1 3HB MET 1 -1.037 -15.753 19.396 7 HG2 MET 1 2HG MET 1 -3.306 -15.600 17.418 8 HG3 MET 1 3HG MET 1 -2.336 -17.036 17.747 9 HE1 MET 1 3HE MET 1 -2.442 -18.442 19.947 10 HE2 MET 1 1HE MET 1 -3.298 -17.933 21.402 11 HE3 MET 1 2HE MET 1 -1.896 -17.024 20.842 12 H ASP 2 H ASP 2 -1.692 -11.335 18.906 13 HA ASP 2 HA ASP 2 -3.390 -10.996 16.573 14 HB2 ASP 2 2HB ASP 2 -3.564 -9.411 18.443 15 HB3 ASP 2 3HB ASP 2 -1.876 -8.962 18.231 16 H ARG 3 H ARG 3 -2.642 -9.518 14.826 17 HA ARG 3 HA ARG 3 -0.596 -10.494 13.269 18 HB2 ARG 3 2HB ARG 3 -1.424 -7.580 13.301 19 HB3 ARG 3 3HB ARG 3 -0.817 -8.503 11.933 20 HG2 ARG 3 2HG ARG 3 -2.834 -9.711 11.721 21 HG3 ARG 3 3HG ARG 3 -3.415 -9.173 13.295 22 HD2 ARG 3 2HD ARG 3 -3.251 -6.793 12.275 23 HD3 ARG 3 3HD ARG 3 -3.225 -7.640 10.729 24 HE ARG 3 HE ARG 3 -5.432 -8.303 11.068 25 HH11 ARG 3 1HH1 ARG 3 -4.227 -6.658 13.846 26 HH12 ARG 3 2HH1 ARG 3 -5.801 -6.383 14.503 27 HH21 ARG 3 1HH2 ARG 3 -7.455 -7.936 11.933 28 HH22 ARG 3 2HH2 ARG 3 -7.598 -7.094 13.434 29 H LYS 4 H LYS 4 -0.478 -7.734 15.499 30 HA LYS 4 HA LYS 4 2.291 -7.142 15.045 31 HB2 LYS 4 2HB LYS 4 0.450 -6.304 17.300 32 HB3 LYS 4 3HB LYS 4 2.020 -5.596 16.948 33 HG2 LYS 4 2HG LYS 4 1.237 -4.703 14.873 34 HG3 LYS 4 3HG LYS 4 -0.285 -5.589 15.006 35 HD2 LYS 4 2HD LYS 4 -0.903 -4.272 16.965 36 HD3 LYS 4 3HD LYS 4 0.639 -3.417 16.899 37 HE2 LYS 4 2HE LYS 4 0.051 -2.420 14.782 38 HE3 LYS 4 3HE LYS 4 -1.418 -3.387 14.689 39 HZ1 LYS 4 3HZ LYS 4 -2.361 -2.204 16.488 40 HZ2 LYS 4 1HZ LYS 4 -1.728 -1.042 15.429 41 HZ3 LYS 4 2HZ LYS 4 -0.904 -1.431 16.853 42 H LEU 5 H LEU 5 0.564 -9.277 17.156 43 HA LEU 5 HA LEU 5 2.814 -9.627 18.986 44 HB2 LEU 5 2HB LEU 5 -0.043 -10.553 18.960 45 HB3 LEU 5 3HB LEU 5 1.116 -11.306 20.033 46 HG LEU 5 HG LEU 5 -0.151 -9.608 21.217 47 HD11 LEU 5 1HD1 LEU 5 2.709 -8.755 20.754 48 HD12 LEU 5 2HD1 LEU 5 2.148 -9.965 21.909 49 HD13 LEU 5 3HD1 LEU 5 1.696 -8.274 22.118 50 HD21 LEU 5 3HD2 LEU 5 0.034 -7.225 20.640 51 HD22 LEU 5 1HD2 LEU 5 -0.757 -8.154 19.367 52 HD23 LEU 5 2HD2 LEU 5 0.923 -7.652 19.176 53 H LEU 6 H LEU 6 2.248 -10.778 16.027 54 HA LEU 6 HA LEU 6 3.227 -13.496 16.600 55 HB2 LEU 6 2HB LEU 6 2.087 -12.279 14.078 56 HB3 LEU 6 3HB LEU 6 2.776 -13.891 14.152 57 HG LEU 6 HG LEU 6 0.344 -12.944 15.684 58 HD11 LEU 6 1HD1 LEU 6 0.568 -14.838 13.343 59 HD12 LEU 6 2HD1 LEU 6 -0.079 -13.198 13.287 60 HD13 LEU 6 3HD1 LEU 6 -0.908 -14.441 14.223 61 HD21 LEU 6 3HD2 LEU 6 1.651 -15.666 15.545 62 HD22 LEU 6 1HD2 LEU 6 0.096 -15.314 16.307 63 HD23 LEU 6 2HD2 LEU 6 1.577 -14.605 16.955 64 H HIS 7 H HIS 7 5.211 -14.210 15.925 65 HA HIS 7 HA HIS 7 7.234 -12.295 15.318 66 HB2 HIS 7 2HB HIS 7 7.759 -14.295 16.611 67 HB3 HIS 7 3HB HIS 7 7.311 -15.326 15.257 68 HD1 HIS 7 HD1 HIS 7 9.637 -12.298 15.335 69 HD2 HIS 7 HD2 HIS 7 9.678 -16.347 14.386 70 HE1 HIS 7 HE1 HIS 7 11.929 -12.756 14.427 71 HE2 HIS 7 HE2 HIS 7 11.977 -15.229 13.985 72 H LEU 8 H LEU 8 5.263 -14.424 13.380 73 HA LEU 8 HA LEU 8 6.236 -13.102 10.975 74 HB2 LEU 8 2HB LEU 8 6.257 -15.389 9.792 75 HB3 LEU 8 3HB LEU 8 7.635 -14.927 10.767 76 HG LEU 8 HG LEU 8 6.707 -16.337 12.630 77 HD11 LEU 8 1HD1 LEU 8 4.809 -17.306 10.494 78 HD12 LEU 8 2HD1 LEU 8 4.373 -16.399 11.944 79 HD13 LEU 8 3HD1 LEU 8 5.031 -18.028 12.091 80 HD21 LEU 8 3HD2 LEU 8 7.410 -18.462 11.634 81 HD22 LEU 8 1HD2 LEU 8 8.495 -17.142 11.196 82 HD23 LEU 8 2HD2 LEU 8 7.317 -17.737 10.027 83 H LEU 9 H LEU 9 4.821 -13.449 9.080 84 HA LEU 9 HA LEU 9 2.120 -13.023 9.734 85 HB2 LEU 9 2HB LEU 9 1.699 -12.828 7.433 86 HB3 LEU 9 3HB LEU 9 3.349 -12.279 7.641 87 HG LEU 9 HG LEU 9 2.489 -14.967 6.543 88 HD11 LEU 9 1HD1 LEU 9 3.409 -14.164 4.438 89 HD12 LEU 9 2HD1 LEU 9 3.794 -12.611 5.181 90 HD13 LEU 9 3HD1 LEU 9 2.113 -13.110 5.001 91 HD21 LEU 9 3HD2 LEU 9 4.856 -15.350 6.066 92 HD22 LEU 9 1HD2 LEU 9 4.571 -15.180 7.799 93 HD23 LEU 9 2HD2 LEU 9 5.272 -13.845 6.884 94 H CYS 10 H CYS 10 0.307 -14.330 8.549 95 HA CYS 10 HA CYS 10 0.593 -17.124 9.444 96 HB2 CYS 10 2HB CYS 10 -1.183 -15.809 10.547 97 HB3 CYS 10 3HB CYS 10 -1.930 -15.507 8.984 98 HG CYS 10 HG CYS 10 -1.663 -18.548 10.538 99 H SER 11 H SER 11 -0.102 -18.851 8.158 100 HA SER 11 HA SER 11 0.178 -18.558 5.340 101 HB2 SER 11 2HB SER 11 -0.822 -20.897 6.990 102 HB3 SER 11 3HB SER 11 -0.495 -20.971 5.259 103 HG SER 11 HG SER 11 1.555 -21.133 5.670 104 HA PRO 12 HA PRO 12 -3.951 -17.668 4.076 105 HB2 PRO 12 2HB PRO 12 -4.091 -18.777 1.623 106 HB3 PRO 12 3HB PRO 12 -3.029 -17.407 1.977 107 HG2 PRO 12 2HG PRO 12 -2.358 -20.330 1.811 108 HG3 PRO 12 3HG PRO 12 -1.487 -18.946 1.120 109 HD2 PRO 12 2HD PRO 12 -0.742 -20.151 3.447 110 HD3 PRO 12 3HD PRO 12 -0.472 -18.426 3.124 111 H ASP 13 H ASP 13 -3.853 -20.063 5.794 112 HA ASP 13 HA ASP 13 -5.386 -22.183 4.773 113 HB2 ASP 13 2HB ASP 13 -5.107 -21.127 7.594 114 HB3 ASP 13 3HB ASP 13 -5.934 -22.630 7.194 115 H THR 14 H THR 14 -6.355 -19.022 5.948 116 HA THR 14 HA THR 14 -9.139 -19.538 6.155 117 HB THR 14 HB THR 14 -8.139 -17.525 7.145 118 HG1 THR 14 HG1 THR 14 -9.826 -16.120 6.515 119 HG21 THR 14 3HG2 THR 14 -7.567 -15.592 5.734 120 HG22 THR 14 1HG2 THR 14 -7.850 -16.566 4.288 121 HG23 THR 14 2HG2 THR 14 -6.524 -16.973 5.379 122 H ARG 15 H ARG 15 -7.058 -19.056 3.454 123 HA ARG 15 HA ARG 15 -7.343 -19.236 1.221 124 HB2 ARG 15 2HB ARG 15 -8.776 -21.187 2.104 125 HB3 ARG 15 3HB ARG 15 -10.163 -20.183 1.705 126 HG2 ARG 15 2HG ARG 15 -9.636 -20.213 -0.608 127 HG3 ARG 15 3HG ARG 15 -8.038 -20.899 -0.304 128 HD2 ARG 15 2HD ARG 15 -9.572 -22.597 -1.155 129 HD3 ARG 15 3HD ARG 15 -9.072 -22.974 0.494 130 HE ARG 15 HE ARG 15 -11.639 -21.634 0.001 131 HH11 ARG 15 1HH1 ARG 15 -9.867 -24.330 1.210 132 HH12 ARG 15 2HH1 ARG 15 -11.260 -25.059 1.924 133 HH21 ARG 15 1HH2 ARG 15 -13.422 -22.599 0.929 134 HH22 ARG 15 2HH2 ARG 15 -13.235 -24.098 1.773 135 H GLN 16 H GLN 16 -8.361 -16.797 2.758 136 HA GLN 16 HA GLN 16 -10.308 -15.613 0.985 137 HB2 GLN 16 2HB GLN 16 -8.659 -14.531 3.273 138 HB3 GLN 16 3HB GLN 16 -9.689 -13.491 2.300 139 HG2 GLN 16 2HG GLN 16 -11.640 -14.838 2.945 140 HG3 GLN 16 3HG GLN 16 -10.600 -15.856 3.942 141 HE21 GLN 16 1HE2 GLN 16 -11.979 -12.661 3.579 142 HE22 GLN 16 2HE2 GLN 16 -11.725 -12.165 5.218 143 HA PRO 17 HA PRO 17 -7.499 -13.878 -1.999 144 HB2 PRO 17 2HB PRO 17 -8.801 -11.630 -2.764 145 HB3 PRO 17 3HB PRO 17 -9.373 -13.249 -3.183 146 HG2 PRO 17 2HG PRO 17 -10.287 -11.434 -0.975 147 HG3 PRO 17 3HG PRO 17 -11.263 -12.396 -2.102 148 HD2 PRO 17 2HD PRO 17 -10.739 -13.201 0.436 149 HD3 PRO 17 3HD PRO 17 -10.950 -14.346 -0.906 150 H LEU 18 H LEU 18 -8.041 -12.359 0.968 151 HA LEU 18 HA LEU 18 -5.861 -10.422 0.486 152 HB2 LEU 18 2HB LEU 18 -8.165 -10.224 2.437 153 HB3 LEU 18 3HB LEU 18 -6.822 -9.098 2.364 154 HG LEU 18 HG LEU 18 -8.844 -9.562 0.159 155 HD11 LEU 18 1HD1 LEU 18 -9.829 -8.395 2.048 156 HD12 LEU 18 2HD1 LEU 18 -9.607 -7.291 0.692 157 HD13 LEU 18 3HD1 LEU 18 -8.492 -7.241 2.060 158 HD21 LEU 18 3HD2 LEU 18 -7.790 -7.642 -0.933 159 HD22 LEU 18 1HD2 LEU 18 -6.647 -8.970 -0.727 160 HD23 LEU 18 2HD2 LEU 18 -6.579 -7.572 0.348 161 H SER 19 H SER 19 -4.064 -10.659 1.681 162 HA SER 19 HA SER 19 -4.181 -12.111 4.241 163 HB2 SER 19 2HB SER 19 -3.473 -13.753 2.532 164 HB3 SER 19 3HB SER 19 -2.141 -12.694 2.070 165 HG SER 19 HG SER 19 -1.967 -14.537 3.815 166 H LEU 20 H LEU 20 -1.792 -11.983 5.247 167 HA LEU 20 HA LEU 20 -1.343 -9.194 5.687 168 HB2 LEU 20 2HB LEU 20 -1.016 -11.231 7.288 169 HB3 LEU 20 3HB LEU 20 0.564 -11.359 6.547 170 HG LEU 20 HG LEU 20 0.592 -10.157 8.712 171 HD11 LEU 20 1HD1 LEU 20 2.338 -9.684 7.078 172 HD12 LEU 20 2HD1 LEU 20 1.942 -8.251 8.027 173 HD13 LEU 20 3HD1 LEU 20 1.346 -8.405 6.373 174 HD21 LEU 20 3HD2 LEU 20 -1.599 -9.117 8.607 175 HD22 LEU 20 1HD2 LEU 20 -1.069 -8.086 7.277 176 HD23 LEU 20 2HD2 LEU 20 -0.348 -7.904 8.878 177 H LEU 21 H LEU 21 0.013 -7.843 4.656 178 HA LEU 21 HA LEU 21 1.306 -8.603 2.269 179 HB2 LEU 21 2HB LEU 21 0.454 -6.367 2.569 180 HB3 LEU 21 3HB LEU 21 1.539 -6.087 3.917 181 HG LEU 21 HG LEU 21 3.476 -6.172 2.399 182 HD11 LEU 21 1HD1 LEU 21 3.161 -6.201 -0.030 183 HD12 LEU 21 2HD1 LEU 21 1.438 -6.504 0.194 184 HD13 LEU 21 3HD1 LEU 21 2.623 -7.703 0.715 185 HD21 LEU 21 3HD2 LEU 21 2.424 -4.017 2.850 186 HD22 LEU 21 1HD2 LEU 21 1.328 -4.251 1.489 187 HD23 LEU 21 2HD2 LEU 21 3.061 -4.073 1.206 188 H GLU 22 H GLU 22 3.238 -9.411 1.867 189 HA GLU 22 HA GLU 22 5.166 -10.215 3.651 190 HB2 GLU 22 2HB GLU 22 5.196 -11.012 1.392 191 HB3 GLU 22 3HB GLU 22 5.398 -9.389 0.752 192 HG2 GLU 22 2HG GLU 22 7.459 -10.645 0.581 193 HG3 GLU 22 3HG GLU 22 7.652 -9.286 1.685 194 H SER 23 H SER 23 6.671 -9.226 4.870 195 HA SER 23 HA SER 23 6.756 -6.444 5.195 196 HB2 SER 23 2HB SER 23 8.774 -8.536 6.054 197 HB3 SER 23 3HB SER 23 8.790 -6.858 6.596 198 HG SER 23 HG SER 23 6.339 -7.990 6.918 199 H LYS 24 H LYS 24 8.831 -8.587 3.304 200 HA LYS 24 HA LYS 24 10.845 -6.827 2.553 201 HB2 LYS 24 2HB LYS 24 10.807 -9.248 2.027 202 HB3 LYS 24 3HB LYS 24 9.548 -8.959 0.840 203 HG2 LYS 24 2HG LYS 24 11.639 -9.199 -0.295 204 HG3 LYS 24 3HG LYS 24 11.116 -7.521 -0.423 205 HD2 LYS 24 2HD LYS 24 13.468 -7.525 0.041 206 HD3 LYS 24 3HD LYS 24 12.636 -6.972 1.493 207 HE2 LYS 24 2HE LYS 24 13.464 -9.846 1.104 208 HE3 LYS 24 3HE LYS 24 14.551 -8.644 1.791 209 HZ1 LYS 24 3HZ LYS 24 13.473 -9.800 3.550 210 HZ2 LYS 24 1HZ LYS 24 11.938 -9.521 2.901 211 HZ3 LYS 24 2HZ LYS 24 12.842 -8.235 3.515 212 H GLY 25 H GLY 25 7.652 -7.291 1.046 213 HA2 GLY 25 2HA GLY 25 8.004 -5.175 -0.878 214 HA3 GLY 25 3HA GLY 25 6.504 -6.007 -0.503 215 H LEU 26 H LEU 26 6.544 -5.465 2.308 216 HA LEU 26 HA LEU 26 4.986 -3.171 2.392 217 HB2 LEU 26 2HB LEU 26 4.906 -4.958 4.059 218 HB3 LEU 26 3HB LEU 26 6.501 -4.517 4.633 219 HG LEU 26 HG LEU 26 5.632 -2.358 5.427 220 HD11 LEU 26 1HD1 LEU 26 2.949 -3.383 4.502 221 HD12 LEU 26 2HD1 LEU 26 3.844 -2.031 3.811 222 HD13 LEU 26 3HD1 LEU 26 3.226 -1.924 5.456 223 HD21 LEU 26 3HD2 LEU 26 5.667 -4.270 6.944 224 HD22 LEU 26 1HD2 LEU 26 4.048 -4.732 6.418 225 HD23 LEU 26 2HD2 LEU 26 4.296 -3.215 7.286 226 H GLU 27 H GLU 27 8.443 -3.517 3.168 227 HA GLU 27 HA GLU 27 8.858 -0.892 4.101 228 HB2 GLU 27 2HB GLU 27 11.249 -1.286 3.602 229 HB3 GLU 27 3HB GLU 27 10.511 -2.620 4.477 230 HG2 GLU 27 2HG GLU 27 10.305 -3.873 2.377 231 HG3 GLU 27 3HG GLU 27 11.085 -2.543 1.520 232 H ALA 28 H ALA 28 8.790 -2.209 0.830 233 HA ALA 28 HA ALA 28 9.768 0.063 -0.542 234 HB1 ALA 28 3HB ALA 28 7.822 -2.044 -1.501 235 HB2 ALA 28 1HB ALA 28 9.580 -2.131 -1.607 236 HB3 ALA 28 2HB ALA 28 8.702 -0.910 -2.527 237 H LEU 29 H LEU 29 6.509 -0.849 0.529 238 HA LEU 29 HA LEU 29 5.132 1.370 -0.566 239 HB2 LEU 29 2HB LEU 29 4.547 -0.422 1.787 240 HB3 LEU 29 3HB LEU 29 3.505 0.930 1.393 241 HG LEU 29 HG LEU 29 2.540 -1.081 0.494 242 HD11 LEU 29 1HD1 LEU 29 2.267 0.931 -0.851 243 HD12 LEU 29 2HD1 LEU 29 2.351 -0.507 -1.871 244 HD13 LEU 29 3HD1 LEU 29 3.751 0.560 -1.733 245 HD21 LEU 29 3HD2 LEU 29 5.131 -1.500 -0.998 246 HD22 LEU 29 1HD2 LEU 29 3.671 -2.481 -1.150 247 HD23 LEU 29 2HD2 LEU 29 4.558 -2.452 0.374 248 H ASN 30 H ASN 30 6.522 0.881 2.698 249 HA ASN 30 HA ASN 30 5.857 3.369 3.776 250 HB2 ASN 30 2HB ASN 30 8.085 1.431 4.362 251 HB3 ASN 30 3HB ASN 30 7.969 2.959 5.231 252 HD21 ASN 30 1HD2 ASN 30 6.465 -0.138 4.685 253 HD22 ASN 30 2HD2 ASN 30 5.400 -0.057 6.040 254 H LYS 31 H LYS 31 8.826 2.449 2.032 255 HA LYS 31 HA LYS 31 10.159 4.897 2.101 256 HB2 LYS 31 2HB LYS 31 10.083 2.745 -0.021 257 HB3 LYS 31 3HB LYS 31 11.165 4.129 -0.103 258 HG2 LYS 31 2HG LYS 31 12.265 3.449 1.936 259 HG3 LYS 31 3HG LYS 31 11.116 2.124 2.148 260 HD2 LYS 31 2HD LYS 31 11.945 0.999 0.200 261 HD3 LYS 31 3HD LYS 31 12.926 2.393 -0.257 262 HE2 LYS 31 2HE LYS 31 13.310 0.720 2.231 263 HE3 LYS 31 3HE LYS 31 14.268 0.591 0.756 264 HZ1 LYS 31 3HZ LYS 31 14.104 2.946 2.558 265 HZ2 LYS 31 1HZ LYS 31 14.923 2.935 1.078 266 HZ3 LYS 31 2HZ LYS 31 15.438 1.929 2.336 267 H ALA 32 H ALA 32 7.822 3.713 -0.311 268 HA ALA 32 HA ALA 32 7.857 6.037 -1.927 269 HB1 ALA 32 3HB ALA 32 5.902 5.085 -3.008 270 HB2 ALA 32 1HB ALA 32 5.689 3.952 -1.676 271 HB3 ALA 32 2HB ALA 32 7.109 3.832 -2.716 272 H ILE 33 H ILE 33 5.874 5.117 0.850 273 HA ILE 33 HA ILE 33 3.943 7.174 0.648 274 HB ILE 33 HB ILE 33 4.902 5.601 3.050 275 HG12 ILE 33 2HG1 ILE 33 2.373 5.404 1.380 276 HG13 ILE 33 3HG1 ILE 33 3.740 4.298 1.298 277 HG21 ILE 33 1HG2 ILE 33 2.904 6.419 4.225 278 HG22 ILE 33 2HG2 ILE 33 2.553 7.493 2.870 279 HG23 ILE 33 3HG2 ILE 33 4.017 7.727 3.827 280 HD11 ILE 33 3HD1 ILE 33 1.930 3.336 2.575 281 HD12 ILE 33 1HD1 ILE 33 1.937 4.714 3.673 282 HD13 ILE 33 2HD1 ILE 33 3.324 3.623 3.612 283 H VAL 34 H VAL 34 6.906 6.957 2.635 284 HA VAL 34 HA VAL 34 6.756 9.574 3.695 285 HB VAL 34 HB VAL 34 9.224 7.871 3.244 286 HG11 VAL 34 1HG1 VAL 34 10.244 9.234 5.020 287 HG12 VAL 34 2HG1 VAL 34 8.796 10.239 5.082 288 HG13 VAL 34 3HG1 VAL 34 9.795 10.219 3.627 289 HG21 VAL 34 3HG2 VAL 34 8.941 7.171 5.571 290 HG22 VAL 34 1HG2 VAL 34 7.527 6.737 4.611 291 HG23 VAL 34 2HG2 VAL 34 7.466 8.129 5.694 292 H SER 35 H SER 35 8.383 8.271 0.821 293 HA SER 35 HA SER 35 9.504 10.726 -0.072 294 HB2 SER 35 2HB SER 35 10.278 8.515 -0.866 295 HB3 SER 35 3HB SER 35 8.744 8.280 -1.699 296 HG SER 35 HG SER 35 10.722 10.252 -2.229 297 H GLY 36 H GLY 36 6.282 9.591 -0.065 298 HA2 GLY 36 2HA GLY 36 4.339 10.650 -0.691 299 HA3 GLY 36 3HA GLY 36 5.309 12.043 -1.134 300 H THR 37 H THR 37 5.514 8.767 -2.492 301 HA THR 37 HA THR 37 4.583 9.876 -5.079 302 HB THR 37 HB THR 37 6.990 9.283 -5.111 303 HG1 THR 37 HG1 THR 37 5.461 7.482 -6.719 304 HG21 THR 37 3HG2 THR 37 6.989 7.449 -3.507 305 HG22 THR 37 1HG2 THR 37 7.659 6.915 -5.051 306 HG23 THR 37 2HG2 THR 37 6.011 6.469 -4.602 307 H VAL 38 H VAL 38 3.487 8.013 -2.661 308 HA VAL 38 HA VAL 38 2.342 5.839 -4.199 309 HB VAL 38 HB VAL 38 1.770 6.739 -1.365 310 HG11 VAL 38 1HG1 VAL 38 -0.170 5.595 -2.311 311 HG12 VAL 38 2HG1 VAL 38 0.618 4.583 -1.098 312 HG13 VAL 38 3HG1 VAL 38 0.853 4.249 -2.816 313 HG21 VAL 38 3HG2 VAL 38 3.036 4.721 -0.734 314 HG22 VAL 38 1HG2 VAL 38 4.021 5.879 -1.628 315 HG23 VAL 38 2HG2 VAL 38 3.405 4.438 -2.438 316 H GLN 39 H GLN 39 0.746 6.255 -5.594 317 HA GLN 39 HA GLN 39 -1.141 8.410 -5.089 318 HB2 GLN 39 2HB GLN 39 -0.845 6.549 -7.461 319 HB3 GLN 39 3HB GLN 39 -2.004 7.870 -7.357 320 HG2 GLN 39 2HG GLN 39 -0.131 9.464 -7.134 321 HG3 GLN 39 3HG GLN 39 1.003 8.128 -7.317 322 HE21 GLN 39 1HE2 GLN 39 -1.332 10.137 -8.914 323 HE22 GLN 39 2HE2 GLN 39 -0.898 9.710 -10.527 324 H ARG 40 H ARG 40 -2.753 7.994 -3.764 325 HA ARG 40 HA ARG 40 -3.921 5.528 -3.143 326 HB2 ARG 40 2HB ARG 40 -4.255 7.320 -1.647 327 HB3 ARG 40 3HB ARG 40 -4.817 8.396 -2.914 328 HG2 ARG 40 2HG ARG 40 -6.902 7.133 -3.074 329 HG3 ARG 40 3HG ARG 40 -6.334 6.037 -1.813 330 HD2 ARG 40 2HD ARG 40 -6.541 9.012 -1.374 331 HD3 ARG 40 3HD ARG 40 -7.912 7.935 -1.116 332 HE ARG 40 HE ARG 40 -6.652 6.845 0.630 333 HH11 ARG 40 1HH1 ARG 40 -5.296 9.834 -0.471 334 HH12 ARG 40 2HH1 ARG 40 -4.491 10.133 1.026 335 HH21 ARG 40 1HH2 ARG 40 -5.634 7.266 2.538 336 HH22 ARG 40 2HH2 ARG 40 -4.684 8.708 2.712 337 H ALA 41 H ALA 41 -6.016 4.643 -3.737 338 HA ALA 41 HA ALA 41 -6.382 4.193 -6.409 339 HB1 ALA 41 3HB ALA 41 -8.548 3.240 -5.850 340 HB2 ALA 41 1HB ALA 41 -8.542 4.096 -4.307 341 HB3 ALA 41 2HB ALA 41 -7.351 2.833 -4.621 342 H ASP 42 H ASP 42 -7.607 6.944 -4.648 343 HA ASP 42 HA ASP 42 -9.439 7.788 -6.715 344 HB2 ASP 42 2HB ASP 42 -9.947 8.390 -4.428 345 HB3 ASP 42 3HB ASP 42 -8.380 9.172 -4.235 346 H GLY 43 H GLY 43 -6.128 8.551 -5.760 347 HA2 GLY 43 2HA GLY 43 -4.782 9.321 -7.798 348 HA3 GLY 43 3HA GLY 43 -5.962 10.620 -7.865 349 H SER 44 H SER 44 -6.117 10.859 -4.944 350 HA SER 44 HA SER 44 -4.074 12.739 -4.447 351 HB2 SER 44 2HB SER 44 -6.212 12.833 -3.266 352 HB3 SER 44 3HB SER 44 -5.876 11.289 -2.487 353 HG SER 44 HG SER 44 -5.200 13.720 -1.671 354 H ILE 45 H ILE 45 -2.322 12.652 -2.877 355 HA ILE 45 HA ILE 45 -0.885 10.137 -3.106 356 HB ILE 45 HB ILE 45 0.011 12.777 -1.930 357 HG12 ILE 45 2HG1 ILE 45 -0.511 12.948 -4.326 358 HG13 ILE 45 3HG1 ILE 45 1.223 13.077 -4.052 359 HG21 ILE 45 1HG2 ILE 45 2.292 11.881 -2.155 360 HG22 ILE 45 2HG2 ILE 45 1.626 10.331 -2.674 361 HG23 ILE 45 3HG2 ILE 45 1.318 10.921 -1.038 362 HD11 ILE 45 3HD1 ILE 45 1.516 10.764 -4.761 363 HD12 ILE 45 1HD1 ILE 45 0.717 11.723 -6.006 364 HD13 ILE 45 2HD1 ILE 45 -0.224 10.614 -5.010 365 H GLN 46 H GLN 46 -0.321 8.760 -1.495 366 HA GLN 46 HA GLN 46 -1.576 9.065 1.119 367 HB2 GLN 46 2HB GLN 46 -1.742 6.907 0.027 368 HB3 GLN 46 3HB GLN 46 0.004 6.812 -0.138 369 HG2 GLN 46 2HG GLN 46 -0.729 5.361 1.637 370 HG3 GLN 46 3HG GLN 46 0.219 6.686 2.308 371 HE21 GLN 46 1HE2 GLN 46 -2.952 5.291 2.024 372 HE22 GLN 46 2HE2 GLN 46 -3.688 6.207 3.290 373 H ASN 47 H ASN 47 -0.534 9.943 2.824 374 HA ASN 47 HA ASN 47 2.427 9.889 2.851 375 HB2 ASN 47 2HB ASN 47 0.606 12.164 3.668 376 HB3 ASN 47 3HB ASN 47 2.346 12.131 3.946 377 HD21 ASN 47 1HD2 ASN 47 2.921 10.820 1.392 378 HD22 ASN 47 2HD2 ASN 47 2.702 12.036 0.187 379 H GLN 48 H GLN 48 0.077 8.384 4.332 380 HA GLN 48 HA GLN 48 1.260 8.673 7.028 381 HB2 GLN 48 2HB GLN 48 -1.424 7.585 6.157 382 HB3 GLN 48 3HB GLN 48 -0.795 7.382 7.786 383 HG2 GLN 48 2HG GLN 48 -1.107 10.091 6.517 384 HG3 GLN 48 3HG GLN 48 -2.419 9.298 7.388 385 HE21 GLN 48 1HE2 GLN 48 -2.426 10.987 8.911 386 HE22 GLN 48 2HE2 GLN 48 -1.218 11.102 10.139 387 H SER 49 H SER 49 2.951 7.327 7.143 388 HA SER 49 HA SER 49 3.217 4.897 5.707 389 HB2 SER 49 2HB SER 49 5.224 4.538 7.196 390 HB3 SER 49 3HB SER 49 5.207 6.088 6.357 391 HG SER 49 HG SER 49 4.585 5.563 9.075 392 H LEU 50 H LEU 50 1.952 3.189 6.072 393 HA LEU 50 HA LEU 50 0.817 2.670 8.676 394 HB2 LEU 50 2HB LEU 50 -0.253 0.707 7.452 395 HB3 LEU 50 3HB LEU 50 -0.696 2.322 6.940 396 HG LEU 50 HG LEU 50 1.026 2.046 5.061 397 HD11 LEU 50 1HD1 LEU 50 0.794 -0.853 5.862 398 HD12 LEU 50 2HD1 LEU 50 2.249 0.140 5.937 399 HD13 LEU 50 3HD1 LEU 50 1.529 -0.251 4.377 400 HD21 LEU 50 3HD2 LEU 50 -1.377 1.989 4.678 401 HD22 LEU 50 1HD2 LEU 50 -1.419 0.273 5.085 402 HD23 LEU 50 2HD2 LEU 50 -0.553 0.819 3.646 403 H HIS 51 H HIS 51 1.042 0.752 9.899 404 HA HIS 51 HA HIS 51 3.717 -0.395 9.763 405 HB2 HIS 51 2HB HIS 51 1.522 -0.590 11.837 406 HB3 HIS 51 3HB HIS 51 3.069 -1.418 11.974 407 HD1 HIS 51 HD1 HIS 51 4.646 -0.203 13.418 408 HD2 HIS 51 HD2 HIS 51 2.095 2.398 11.410 409 HE1 HIS 51 HE1 HIS 51 5.295 2.099 14.181 410 HE2 HIS 51 HE2 HIS 51 3.648 3.642 13.061 411 H GLU 52 H GLU 52 0.356 -1.586 9.822 412 HA GLU 52 HA GLU 52 1.301 -4.100 8.595 413 HB2 GLU 52 2HB GLU 52 -1.164 -3.602 10.282 414 HB3 GLU 52 3HB GLU 52 -0.841 -5.105 9.435 415 HG2 GLU 52 2HG GLU 52 -0.252 -5.412 11.716 416 HG3 GLU 52 3HG GLU 52 1.242 -5.347 10.786 417 H ALA 53 H ALA 53 0.141 -4.955 6.837 418 HA ALA 53 HA ALA 53 -1.986 -3.367 5.625 419 HB1 ALA 53 3HB ALA 53 0.079 -2.332 4.786 420 HB2 ALA 53 1HB ALA 53 -0.831 -3.117 3.491 421 HB3 ALA 53 2HB ALA 53 0.605 -3.897 4.162 422 H LEU 54 H LEU 54 -2.937 -4.434 3.721 423 HA LEU 54 HA LEU 54 -2.701 -7.373 3.898 424 HB2 LEU 54 2HB LEU 54 -5.090 -5.664 3.177 425 HB3 LEU 54 3HB LEU 54 -5.061 -7.416 3.077 426 HG LEU 54 HG LEU 54 -4.721 -5.813 5.622 427 HD11 LEU 54 1HD1 LEU 54 -6.993 -5.645 4.776 428 HD12 LEU 54 2HD1 LEU 54 -6.941 -6.666 6.213 429 HD13 LEU 54 3HD1 LEU 54 -7.083 -7.400 4.617 430 HD21 LEU 54 3HD2 LEU 54 -4.949 -7.999 6.740 431 HD22 LEU 54 1HD2 LEU 54 -3.511 -7.916 5.720 432 HD23 LEU 54 2HD2 LEU 54 -4.939 -8.792 5.164 433 H ILE 55 H ILE 55 -2.086 -8.450 2.111 434 HA ILE 55 HA ILE 55 -1.897 -6.971 -0.422 435 HB ILE 55 HB ILE 55 0.196 -7.944 0.379 436 HG12 ILE 55 2HG1 ILE 55 0.824 -9.242 -1.639 437 HG13 ILE 55 3HG1 ILE 55 -0.877 -9.396 -2.060 438 HG21 ILE 55 1HG2 ILE 55 0.528 -10.358 0.555 439 HG22 ILE 55 2HG2 ILE 55 -1.173 -10.631 0.188 440 HG23 ILE 55 3HG2 ILE 55 -0.717 -9.806 1.678 441 HD11 ILE 55 3HD1 ILE 55 -1.033 -6.987 -2.353 442 HD12 ILE 55 1HD1 ILE 55 0.234 -7.671 -3.371 443 HD13 ILE 55 2HD1 ILE 55 0.662 -6.810 -1.892 444 H THR 56 H THR 56 -3.023 -7.548 -2.200 445 HA THR 56 HA THR 56 -5.113 -9.482 -2.103 446 HB THR 56 HB THR 56 -5.318 -9.045 -4.574 447 HG1 THR 56 HG1 THR 56 -3.182 -7.210 -4.073 448 HG21 THR 56 3HG2 THR 56 -6.582 -7.698 -2.985 449 HG22 THR 56 1HG2 THR 56 -6.029 -6.693 -4.323 450 HG23 THR 56 2HG2 THR 56 -5.202 -6.621 -2.768 451 H ARG 57 H ARG 57 -5.310 -11.461 -3.115 452 HA ARG 57 HA ARG 57 -3.121 -13.181 -3.136 453 HB2 ARG 57 2HB ARG 57 -5.450 -13.921 -2.907 454 HB3 ARG 57 3HB ARG 57 -5.768 -13.469 -4.575 455 HG2 ARG 57 2HG ARG 57 -4.136 -15.174 -5.317 456 HG3 ARG 57 3HG ARG 57 -3.917 -15.657 -3.634 457 HD2 ARG 57 2HD ARG 57 -6.283 -16.253 -3.485 458 HD3 ARG 57 3HD ARG 57 -6.531 -15.727 -5.152 459 HE ARG 57 HE ARG 57 -4.503 -17.669 -5.083 460 HH11 ARG 57 1HH1 ARG 57 -7.919 -17.397 -4.683 461 HH12 ARG 57 2HH1 ARG 57 -8.209 -19.033 -5.168 462 HH21 ARG 57 1HH2 ARG 57 -4.888 -19.741 -5.714 463 HH22 ARG 57 2HH2 ARG 57 -6.506 -20.350 -5.733 464 H ASP 58 H ASP 58 -4.519 -11.310 -5.776 465 HA ASP 58 HA ASP 58 -2.684 -12.501 -7.708 466 HB2 ASP 58 2HB ASP 58 -3.928 -11.090 -9.367 467 HB3 ASP 58 3HB ASP 58 -4.921 -12.259 -8.508 468 H ARG 59 H ARG 59 -2.273 -10.262 -5.449 469 HA ARG 59 HA ARG 59 -0.496 -8.925 -5.006 470 HB2 ARG 59 2HB ARG 59 0.492 -9.801 -7.726 471 HB3 ARG 59 3HB ARG 59 1.457 -8.983 -6.506 472 HG2 ARG 59 2HG ARG 59 0.172 -11.685 -6.137 473 HG3 ARG 59 3HG ARG 59 1.844 -11.428 -6.634 474 HD2 ARG 59 2HD ARG 59 2.195 -10.147 -4.508 475 HD3 ARG 59 3HD ARG 59 0.575 -10.639 -4.008 476 HE ARG 59 HE ARG 59 1.580 -13.004 -4.456 477 HH11 ARG 59 1HH1 ARG 59 3.178 -10.325 -3.000 478 HH12 ARG 59 2HH1 ARG 59 4.257 -11.320 -2.091 479 HH21 ARG 59 1HH2 ARG 59 2.953 -14.270 -3.296 480 HH22 ARG 59 2HH2 ARG 59 4.121 -13.542 -2.245 481 H LYS 60 H LYS 60 -2.848 -7.876 -6.735 482 HA LYS 60 HA LYS 60 -1.530 -5.741 -8.234 483 HB2 LYS 60 2HB LYS 60 -4.478 -6.338 -7.899 484 HB3 LYS 60 3HB LYS 60 -3.797 -5.128 -8.979 485 HG2 LYS 60 2HG LYS 60 -3.339 -8.105 -9.158 486 HG3 LYS 60 3HG LYS 60 -4.438 -7.166 -10.170 487 HD2 LYS 60 2HD LYS 60 -2.538 -5.895 -11.060 488 HD3 LYS 60 3HD LYS 60 -1.435 -6.816 -10.032 489 HE2 LYS 60 2HE LYS 60 -2.044 -8.874 -11.193 490 HE3 LYS 60 3HE LYS 60 -3.202 -7.991 -12.186 491 HZ1 LYS 60 3HZ LYS 60 -1.126 -8.388 -13.359 492 HZ2 LYS 60 1HZ LYS 60 -0.265 -7.545 -12.172 493 HZ3 LYS 60 2HZ LYS 60 -1.386 -6.732 -13.137 494 H GLN 61 H GLN 61 -3.858 -5.968 -5.527 495 HA GLN 61 HA GLN 61 -3.349 -3.110 -4.958 496 HB2 GLN 61 2HB GLN 61 -5.794 -4.774 -4.317 497 HB3 GLN 61 3HB GLN 61 -5.579 -3.078 -3.903 498 HG2 GLN 61 2HG GLN 61 -5.571 -2.441 -6.211 499 HG3 GLN 61 3HG GLN 61 -5.558 -4.128 -6.727 500 HE21 GLN 61 1HE2 GLN 61 -7.475 -1.562 -5.386 501 HE22 GLN 61 2HE2 GLN 61 -9.010 -2.312 -5.628 502 H VAL 62 H VAL 62 -3.318 -2.409 -2.767 503 HA VAL 62 HA VAL 62 -2.886 -4.468 -0.699 504 HB VAL 62 HB VAL 62 -1.224 -1.958 -1.070 505 HG11 VAL 62 1HG1 VAL 62 -1.048 -4.100 1.056 506 HG12 VAL 62 2HG1 VAL 62 -1.583 -2.437 1.291 507 HG13 VAL 62 3HG1 VAL 62 0.089 -2.767 0.844 508 HG21 VAL 62 3HG2 VAL 62 -0.420 -4.861 -1.328 509 HG22 VAL 62 1HG2 VAL 62 0.656 -3.470 -1.471 510 HG23 VAL 62 2HG2 VAL 62 -0.621 -3.724 -2.662 511 H PHE 63 H PHE 63 -4.116 -4.128 1.078 512 HA PHE 63 HA PHE 63 -5.470 -1.538 1.405 513 HB2 PHE 63 2HB PHE 63 -6.070 -4.279 2.533 514 HB3 PHE 63 3HB PHE 63 -6.914 -2.822 3.050 515 HD1 PHE 63 HD2 PHE 63 -6.368 -5.147 0.243 516 HD2 PHE 63 HD1 PHE 63 -8.544 -1.761 1.650 517 HE1 PHE 63 HE2 PHE 63 -7.934 -5.372 -1.642 518 HE2 PHE 63 HE1 PHE 63 -10.113 -1.988 -0.231 519 HZ PHE 63 HZ PHE 63 -9.809 -3.792 -1.877 520 H ARG 64 H ARG 64 -5.928 -0.940 3.770 521 HA ARG 64 HA ARG 64 -3.313 -0.887 5.133 522 HB2 ARG 64 2HB ARG 64 -4.121 1.287 4.387 523 HB3 ARG 64 3HB ARG 64 -5.641 1.049 5.237 524 HG2 ARG 64 2HG ARG 64 -4.475 1.105 7.376 525 HG3 ARG 64 3HG ARG 64 -2.929 1.274 6.547 526 HD2 ARG 64 2HD ARG 64 -3.734 3.411 5.569 527 HD3 ARG 64 3HD ARG 64 -5.220 3.245 6.505 528 HE ARG 64 HE ARG 64 -3.956 3.581 8.500 529 HH11 ARG 64 1HH1 ARG 64 -2.182 4.113 5.599 530 HH12 ARG 64 2HH1 ARG 64 -0.919 4.979 6.393 531 HH21 ARG 64 1HH2 ARG 64 -2.362 4.704 9.513 532 HH22 ARG 64 2HH2 ARG 64 -1.011 5.297 8.608 533 H ILE 65 H ILE 65 -3.081 -1.550 7.241 534 HA ILE 65 HA ILE 65 -5.547 -2.156 8.765 535 HB ILE 65 HB ILE 65 -2.753 -3.229 9.262 536 HG12 ILE 65 2HG1 ILE 65 -5.206 -4.596 8.107 537 HG13 ILE 65 3HG1 ILE 65 -3.750 -4.171 7.215 538 HG21 ILE 65 1HG2 ILE 65 -5.396 -3.923 10.564 539 HG22 ILE 65 2HG2 ILE 65 -4.088 -3.004 11.309 540 HG23 ILE 65 3HG2 ILE 65 -3.846 -4.699 10.894 541 HD11 ILE 65 3HD1 ILE 65 -2.458 -5.742 8.542 542 HD12 ILE 65 1HD1 ILE 65 -3.825 -6.540 7.769 543 HD13 ILE 65 2HD1 ILE 65 -3.894 -6.141 9.484 544 H GLU 66 H GLU 66 -6.023 -0.399 9.959 545 HA GLU 66 HA GLU 66 -3.831 1.212 11.084 546 HB2 GLU 66 2HB GLU 66 -5.354 2.434 9.637 547 HB3 GLU 66 3HB GLU 66 -6.736 1.899 10.583 548 HG2 GLU 66 2HG GLU 66 -6.128 4.220 11.067 549 HG3 GLU 66 3HG GLU 66 -5.977 3.189 12.491 550 H ASP 67 H ASP 67 -3.390 1.045 13.179 551 HA ASP 67 HA ASP 67 -3.543 0.637 15.409 552 HB2 ASP 67 2HB ASP 67 -5.275 2.540 14.990 553 HB3 ASP 67 3HB ASP 67 -6.485 1.290 15.256 554 H SER 68 H SER 68 -3.716 -1.627 13.840 555 HA SER 68 HA SER 68 -4.160 -3.848 13.938 556 HB2 SER 68 2HB SER 68 -5.373 -3.157 16.627 557 HB3 SER 68 3HB SER 68 -5.184 -4.805 16.029 558 HG SER 68 HG SER 68 -3.246 -4.692 16.821 559 H ILE 69 H ILE 69 -6.347 -1.633 13.264 560 HA ILE 69 HA ILE 69 -8.625 -3.475 13.027 561 HB ILE 69 HB ILE 69 -8.487 -0.499 12.480 562 HG12 ILE 69 2HG1 ILE 69 -8.263 -1.018 14.872 563 HG13 ILE 69 3HG1 ILE 69 -9.814 -0.258 14.538 564 HG21 ILE 69 1HG2 ILE 69 -10.865 -2.364 12.505 565 HG22 ILE 69 2HG2 ILE 69 -10.173 -1.568 11.092 566 HG23 ILE 69 3HG2 ILE 69 -10.943 -0.609 12.353 567 HD11 ILE 69 3HD1 ILE 69 -10.041 -2.068 16.134 568 HD12 ILE 69 1HD1 ILE 69 -9.353 -3.203 14.974 569 HD13 ILE 69 2HD1 ILE 69 -10.908 -2.440 14.645 570 HA PRO 70 HA PRO 70 -7.276 -4.095 8.765 571 HB2 PRO 70 2HB PRO 70 -9.243 -5.815 8.028 572 HB3 PRO 70 3HB PRO 70 -7.875 -6.306 9.034 573 HG2 PRO 70 2HG PRO 70 -10.665 -5.571 9.861 574 HG3 PRO 70 3HG PRO 70 -9.651 -6.916 10.419 575 HD2 PRO 70 2HD PRO 70 -9.946 -4.623 11.841 576 HD3 PRO 70 3HD PRO 70 -8.449 -5.577 11.870 577 H VAL 71 H VAL 71 -7.655 -2.058 7.876 578 HA VAL 71 HA VAL 71 -10.326 -1.087 7.372 579 HB VAL 71 HB VAL 71 -7.695 0.006 6.334 580 HG11 VAL 71 1HG1 VAL 71 -9.662 0.832 5.119 581 HG12 VAL 71 2HG1 VAL 71 -8.901 2.111 6.066 582 HG13 VAL 71 3HG1 VAL 71 -10.385 1.353 6.643 583 HG21 VAL 71 3HG2 VAL 71 -7.767 1.555 8.237 584 HG22 VAL 71 1HG2 VAL 71 -7.664 -0.126 8.771 585 HG23 VAL 71 2HG2 VAL 71 -9.206 0.735 8.850 586 H LEU 72 H LEU 72 -11.393 -2.387 5.952 587 HA LEU 72 HA LEU 72 -10.138 -3.302 3.489 588 HB2 LEU 72 2HB LEU 72 -12.958 -3.696 4.506 589 HB3 LEU 72 3HB LEU 72 -12.239 -4.517 3.132 590 HG LEU 72 HG LEU 72 -11.378 -4.808 6.018 591 HD11 LEU 72 1HD1 LEU 72 -12.241 -7.091 5.811 592 HD12 LEU 72 2HD1 LEU 72 -12.826 -6.723 4.188 593 HD13 LEU 72 3HD1 LEU 72 -13.509 -5.889 5.584 594 HD21 LEU 72 3HD2 LEU 72 -9.919 -6.603 5.191 595 HD22 LEU 72 1HD2 LEU 72 -9.473 -5.029 4.529 596 HD23 LEU 72 2HD2 LEU 72 -10.357 -6.186 3.533 597 H LEU 73 H LEU 73 -10.941 -0.394 4.091 598 HA LEU 73 HA LEU 73 -12.994 0.250 2.202 599 HB2 LEU 73 2HB LEU 73 -10.955 2.026 3.557 600 HB3 LEU 73 3HB LEU 73 -12.338 2.595 2.641 601 HG LEU 73 HG LEU 73 -12.479 0.996 5.209 602 HD11 LEU 73 1HD1 LEU 73 -11.669 3.258 5.595 603 HD12 LEU 73 2HD1 LEU 73 -13.315 3.078 6.201 604 HD13 LEU 73 3HD1 LEU 73 -13.023 3.920 4.677 605 HD21 LEU 73 3HD2 LEU 73 -14.374 0.547 3.717 606 HD22 LEU 73 1HD2 LEU 73 -14.682 2.278 3.581 607 HD23 LEU 73 2HD2 LEU 73 -14.876 1.463 5.137 608 HA PRO 74 HA PRO 74 -10.393 -0.070 -1.453 609 HB2 PRO 74 2HB PRO 74 -12.121 1.327 -3.117 610 HB3 PRO 74 3HB PRO 74 -12.229 -0.398 -2.762 611 HG2 PRO 74 2HG PRO 74 -13.736 1.887 -1.542 612 HG3 PRO 74 3HG PRO 74 -14.323 0.280 -2.015 613 HD2 PRO 74 2HD PRO 74 -13.823 0.873 0.551 614 HD3 PRO 74 3HD PRO 74 -13.452 -0.737 -0.108 615 H GLU 75 H GLU 75 -11.667 2.944 -0.167 616 HA GLU 75 HA GLU 75 -10.233 4.766 -1.748 617 HB2 GLU 75 2HB GLU 75 -10.587 6.368 0.087 618 HB3 GLU 75 3HB GLU 75 -12.049 5.466 -0.286 619 HG2 GLU 75 2HG GLU 75 -11.523 3.966 1.642 620 HG3 GLU 75 3HG GLU 75 -10.202 5.055 2.057 621 H GLU 76 H GLU 76 -9.168 2.756 0.906 622 HA GLU 76 HA GLU 76 -6.539 4.091 0.904 623 HB2 GLU 76 2HB GLU 76 -7.751 2.131 2.866 624 HB3 GLU 76 3HB GLU 76 -6.107 2.745 2.970 625 HG2 GLU 76 2HG GLU 76 -8.650 4.348 3.190 626 HG3 GLU 76 3HG GLU 76 -7.530 3.955 4.491 627 H ALA 77 H ALA 77 -7.616 2.148 -1.151 628 HA ALA 77 HA ALA 77 -5.802 -0.121 -0.866 629 HB1 ALA 77 3HB ALA 77 -6.847 -0.960 -2.920 630 HB2 ALA 77 1HB ALA 77 -7.766 0.539 -3.063 631 HB3 ALA 77 2HB ALA 77 -8.057 -0.544 -1.703 632 H ILE 78 H ILE 78 -3.742 0.153 -1.429 633 HA ILE 78 HA ILE 78 -2.973 2.080 -3.491 634 HB ILE 78 HB ILE 78 -1.288 0.407 -1.604 635 HG12 ILE 78 2HG1 ILE 78 -0.668 2.721 -0.723 636 HG13 ILE 78 3HG1 ILE 78 -2.005 3.348 -1.678 637 HG21 ILE 78 1HG2 ILE 78 0.644 1.710 -2.418 638 HG22 ILE 78 2HG2 ILE 78 -0.388 2.446 -3.647 639 HG23 ILE 78 3HG2 ILE 78 -0.072 0.710 -3.684 640 HD11 ILE 78 3HD1 ILE 78 -3.567 1.998 -0.399 641 HD12 ILE 78 1HD1 ILE 78 -2.610 3.037 0.660 642 HD13 ILE 78 2HD1 ILE 78 -2.231 1.318 0.535 643 H ALA 79 H ALA 79 -2.142 1.548 -5.481 644 HA ALA 79 HA ALA 79 -2.266 -1.259 -6.301 645 HB1 ALA 79 3HB ALA 79 -3.378 0.429 -7.692 646 HB2 ALA 79 1HB ALA 79 -2.100 -0.405 -8.580 647 HB3 ALA 79 2HB ALA 79 -1.828 1.224 -7.964 648 H THR 80 H THR 80 -0.479 -2.487 -6.236 649 HA THR 80 HA THR 80 2.082 -1.621 -5.540 650 HB THR 80 HB THR 80 2.897 -3.842 -6.258 651 HG1 THR 80 HG1 THR 80 0.764 -5.130 -6.981 652 HG21 THR 80 3HG2 THR 80 1.453 -5.213 -4.822 653 HG22 THR 80 1HG2 THR 80 0.217 -3.953 -4.854 654 HG23 THR 80 2HG2 THR 80 1.773 -3.643 -4.085 655 H ILE 81 H ILE 81 0.710 -2.151 -8.749 656 HA ILE 81 HA ILE 81 3.065 -2.021 -10.258 657 HB ILE 81 HB ILE 81 0.939 -2.835 -11.164 658 HG12 ILE 81 2HG1 ILE 81 1.005 -1.688 -13.382 659 HG13 ILE 81 3HG1 ILE 81 2.051 -0.456 -12.685 660 HG21 ILE 81 1HG2 ILE 81 -0.840 -1.289 -11.829 661 HG22 ILE 81 2HG2 ILE 81 0.044 0.046 -11.090 662 HG23 ILE 81 3HG2 ILE 81 -0.572 -1.266 -10.084 663 HD11 ILE 81 3HD1 ILE 81 2.693 -3.383 -12.968 664 HD12 ILE 81 1HD1 ILE 81 3.742 -2.175 -12.231 665 HD13 ILE 81 2HD1 ILE 81 3.342 -2.067 -13.944 666 H GLN 82 H GLN 82 1.376 0.527 -8.642 667 HA GLN 82 HA GLN 82 2.554 2.610 -10.341 668 HB2 GLN 82 2HB GLN 82 0.534 2.761 -8.094 669 HB3 GLN 82 3HB GLN 82 1.123 4.155 -8.996 670 HG2 GLN 82 2HG GLN 82 -0.369 1.808 -10.179 671 HG3 GLN 82 3HG GLN 82 -1.071 3.374 -9.775 672 HE21 GLN 82 1HE2 GLN 82 1.039 1.666 -11.952 673 HE22 GLN 82 2HE2 GLN 82 1.121 2.902 -13.153 674 H ILE 83 H ILE 83 3.803 0.869 -7.967 675 HA ILE 83 HA ILE 83 4.881 3.089 -6.372 676 HB ILE 83 HB ILE 83 5.170 0.102 -5.973 677 HG12 ILE 83 2HG1 ILE 83 2.865 0.843 -5.623 678 HG13 ILE 83 3HG1 ILE 83 3.607 0.420 -4.085 679 HG21 ILE 83 1HG2 ILE 83 5.990 0.733 -3.708 680 HG22 ILE 83 2HG2 ILE 83 6.041 2.417 -4.240 681 HG23 ILE 83 3HG2 ILE 83 7.069 1.209 -5.021 682 HD11 ILE 83 3HD1 ILE 83 3.975 2.804 -3.629 683 HD12 ILE 83 1HD1 ILE 83 2.272 2.418 -3.866 684 HD13 ILE 83 2HD1 ILE 83 3.186 3.202 -5.153 685 H ALA 84 H ALA 84 6.696 4.019 -7.081 686 HA ALA 84 HA ALA 84 8.382 2.958 -9.082 687 HB1 ALA 84 3HB ALA 84 9.775 4.907 -8.716 688 HB2 ALA 84 1HB ALA 84 8.974 5.221 -7.175 689 HB3 ALA 84 2HB ALA 84 8.071 5.362 -8.682 690 H ASN 85 H ASN 85 8.333 2.209 -5.790 691 HA ASN 85 HA ASN 85 11.164 1.650 -5.530 692 HB2 ASN 85 2HB ASN 85 8.809 1.152 -3.706 693 HB3 ASN 85 3HB ASN 85 10.446 0.620 -3.322 694 HD21 ASN 85 1HD2 ASN 85 8.391 3.390 -3.803 695 HD22 ASN 85 2HD2 ASN 85 9.449 4.539 -3.070 696 H PHE 86 H PHE 86 8.318 -0.100 -6.505 697 HA PHE 86 HA PHE 86 9.482 -2.717 -6.177 698 HB2 PHE 86 2HB PHE 86 6.961 -1.675 -7.434 699 HB3 PHE 86 3HB PHE 86 7.477 -3.322 -7.757 700 HD1 PHE 86 HD1 PHE 86 6.530 -0.987 -5.045 701 HD2 PHE 86 HD2 PHE 86 7.111 -5.049 -6.186 702 HE1 PHE 86 HE1 PHE 86 5.481 -1.722 -2.947 703 HE2 PHE 86 HE2 PHE 86 6.066 -5.788 -4.086 704 HZ PHE 86 HZ PHE 86 5.247 -4.125 -2.465 705 HA PRO 87 HA PRO 87 11.901 -2.190 -9.941 706 HB2 PRO 87 2HB PRO 87 13.383 -4.438 -9.710 707 HB3 PRO 87 3HB PRO 87 13.658 -3.018 -8.691 708 HG2 PRO 87 2HG PRO 87 12.145 -5.533 -8.057 709 HG3 PRO 87 3HG PRO 87 13.327 -4.660 -7.063 710 HD2 PRO 87 2HD PRO 87 10.640 -4.401 -6.718 711 HD3 PRO 87 3HD PRO 87 11.781 -3.082 -6.381 712 H ASP 88 H ASP 88 12.310 -3.393 -11.943 713 HA ASP 88 HA ASP 88 9.932 -4.729 -12.877 714 HB2 ASP 88 2HB ASP 88 12.534 -4.068 -14.270 715 HB3 ASP 88 3HB ASP 88 11.089 -4.677 -15.073 716 H LYS 89 H LYS 89 11.776 -6.163 -10.944 717 HA LYS 89 HA LYS 89 13.009 -8.332 -12.270 718 HB2 LYS 89 2HB LYS 89 11.874 -8.247 -9.466 719 HB3 LYS 89 3HB LYS 89 12.995 -9.448 -10.080 720 HG2 LYS 89 2HG LYS 89 13.611 -6.502 -9.844 721 HG3 LYS 89 3HG LYS 89 14.039 -7.715 -8.642 722 HD2 LYS 89 2HD LYS 89 16.006 -7.505 -9.852 723 HD3 LYS 89 3HD LYS 89 15.248 -8.900 -10.614 724 HE2 LYS 89 2HE LYS 89 14.454 -7.497 -12.441 725 HE3 LYS 89 3HE LYS 89 15.109 -6.061 -11.658 726 HZ1 LYS 89 3HZ LYS 89 16.696 -8.368 -12.651 727 HZ2 LYS 89 1HZ LYS 89 17.326 -6.991 -11.897 728 HZ3 LYS 89 2HZ LYS 89 16.570 -6.858 -13.401 729 H LEU 90 H LEU 90 12.261 -10.282 -12.956 730 HA LEU 90 HA LEU 90 9.457 -10.329 -13.602 731 HB2 LEU 90 2HB LEU 90 11.763 -12.121 -14.347 732 HB3 LEU 90 3HB LEU 90 10.114 -12.472 -14.829 733 HG LEU 90 HG LEU 90 10.046 -10.285 -16.033 734 HD11 LEU 90 1HD1 LEU 90 12.160 -9.136 -16.507 735 HD12 LEU 90 2HD1 LEU 90 12.980 -10.189 -15.353 736 HD13 LEU 90 3HD1 LEU 90 11.734 -9.072 -14.797 737 HD21 LEU 90 3HD2 LEU 90 10.543 -12.372 -17.209 738 HD22 LEU 90 1HD2 LEU 90 12.263 -12.151 -16.880 739 HD23 LEU 90 2HD2 LEU 90 11.409 -11.010 -17.920 740 H GLU 91 H GLU 91 7.912 -11.771 -13.038 741 HA GLU 91 HA GLU 91 8.203 -13.302 -10.625 742 HB2 GLU 91 2HB GLU 91 6.102 -12.238 -10.980 743 HB3 GLU 91 3HB GLU 91 5.953 -12.892 -12.602 744 HG2 GLU 91 2HG GLU 91 4.416 -14.001 -11.125 745 HG3 GLU 91 3HG GLU 91 5.645 -15.137 -11.664 746 H HIS 92 H HIS 92 8.446 -15.483 -10.387 747 HA HIS 92 HA HIS 92 9.489 -16.995 -12.571 748 HB2 HIS 92 2HB HIS 92 8.622 -17.973 -9.837 749 HB3 HIS 92 3HB HIS 92 9.678 -18.824 -10.961 750 HD1 HIS 92 HD1 HIS 92 9.777 -16.610 -8.114 751 HD2 HIS 92 HD2 HIS 92 12.200 -17.289 -11.427 752 HE1 HIS 92 HE1 HIS 92 12.011 -15.625 -7.527 753 HE2 HIS 92 HE2 HIS 92 13.494 -16.153 -9.488 754 H HIS 93 H HIS 93 6.384 -16.837 -10.937 755 HA HIS 93 HA HIS 93 5.213 -19.053 -12.351 756 HB2 HIS 93 2HB HIS 93 3.855 -16.790 -10.853 757 HB3 HIS 93 3HB HIS 93 3.106 -18.309 -11.344 758 HD1 HIS 93 HD1 HIS 93 5.273 -16.803 -8.730 759 HD2 HIS 93 HD2 HIS 93 3.946 -20.586 -9.832 760 HE1 HIS 93 HE1 HIS 93 5.802 -18.294 -6.783 761 HE2 HIS 93 HE2 HIS 93 5.165 -20.599 -7.547 762 H HIS 94 H HIS 94 5.132 -18.893 -14.525 763 HA HIS 94 HA HIS 94 5.154 -16.403 -15.889 764 HB2 HIS 94 2HB HIS 94 4.916 -19.252 -16.852 765 HB3 HIS 94 3HB HIS 94 4.935 -17.881 -17.957 766 HD1 HIS 94 HD1 HIS 94 7.147 -19.928 -15.767 767 HD2 HIS 94 HD2 HIS 94 7.411 -16.533 -18.142 768 HE1 HIS 94 HE1 HIS 94 9.597 -19.507 -16.065 769 HE2 HIS 94 HE2 HIS 94 9.724 -17.577 -17.670 770 H HIS 95 H HIS 95 3.334 -15.177 -15.610 771 HA HIS 95 HA HIS 95 0.928 -16.162 -17.025 772 HB2 HIS 95 2HB HIS 95 0.417 -15.613 -14.692 773 HB3 HIS 95 3HB HIS 95 1.124 -14.012 -14.892 774 HD1 HIS 95 HD1 HIS 95 -0.265 -12.258 -16.211 775 HD2 HIS 95 HD2 HIS 95 -2.174 -15.920 -15.733 776 HE1 HIS 95 HE1 HIS 95 -2.658 -11.852 -16.838 777 HE2 HIS 95 HE2 HIS 95 -3.775 -14.093 -16.636 778 H HIS 96 H HIS 96 0.756 -15.310 -19.025 779 HA HIS 96 HA HIS 96 2.612 -13.352 -19.929 780 HB2 HIS 96 2HB HIS 96 0.197 -14.519 -21.326 781 HB3 HIS 96 3HB HIS 96 1.437 -13.542 -22.104 782 HD1 HIS 96 HD1 HIS 96 0.526 -16.873 -21.991 783 HD2 HIS 96 HD2 HIS 96 4.148 -14.940 -21.334 784 HE1 HIS 96 HE1 HIS 96 2.298 -18.614 -22.348 785 HE2 HIS 96 HE2 HIS 96 4.468 -17.452 -21.849 786 H HIS 97 H HIS 97 2.197 -11.358 -20.948 787 HA HIS 97 HA HIS 97 -0.283 -9.992 -20.893 788 HB2 HIS 97 2HB HIS 97 0.133 -9.861 -18.480 789 HB3 HIS 97 3HB HIS 97 1.720 -9.155 -18.773 790 HD1 HIS 97 HD1 HIS 97 1.821 -6.653 -18.934 791 HD2 HIS 97 HD2 HIS 97 -2.052 -8.112 -19.332 792 HE1 HIS 97 HE1 HIS 97 0.342 -4.629 -19.001 793 HE2 HIS 97 HE2 HIS 97 -2.000 -5.538 -19.109 Start of MODEL 11 1 H1 MET 1 1H MET 1 3.173 -10.157 -25.277 2 H2 MET 1 2H MET 1 3.158 -11.827 -25.031 3 H3 MET 1 3H MET 1 2.311 -10.810 -23.978 4 HA MET 1 HA MET 1 0.818 -10.151 -25.748 5 HB2 MET 1 2HB MET 1 2.457 -10.452 -27.580 6 HB3 MET 1 3HB MET 1 2.352 -12.194 -27.381 7 HG2 MET 1 2HG MET 1 -0.010 -12.122 -28.028 8 HG3 MET 1 3HG MET 1 0.104 -10.374 -28.232 9 HE1 MET 1 3HE MET 1 -0.180 -11.656 -31.932 10 HE2 MET 1 1HE MET 1 -0.864 -10.589 -30.705 11 HE3 MET 1 2HE MET 1 -0.980 -12.339 -30.517 12 H ASP 2 H ASP 2 -0.764 -10.979 -24.442 13 HA ASP 2 HA ASP 2 -0.945 -13.909 -24.124 14 HB2 ASP 2 2HB ASP 2 -2.456 -11.838 -22.523 15 HB3 ASP 2 3HB ASP 2 -2.148 -13.521 -22.108 16 H ARG 3 H ARG 3 -2.308 -14.843 -25.577 17 HA ARG 3 HA ARG 3 -4.825 -13.441 -26.248 18 HB2 ARG 3 2HB ARG 3 -3.438 -15.708 -27.696 19 HB3 ARG 3 3HB ARG 3 -4.980 -15.014 -28.171 20 HG2 ARG 3 2HG ARG 3 -2.352 -13.533 -28.079 21 HG3 ARG 3 3HG ARG 3 -3.110 -14.184 -29.530 22 HD2 ARG 3 2HD ARG 3 -3.609 -11.860 -29.477 23 HD3 ARG 3 3HD ARG 3 -5.092 -12.702 -29.030 24 HE ARG 3 HE ARG 3 -3.639 -12.012 -26.717 25 HH11 ARG 3 1HH1 ARG 3 -5.556 -10.547 -29.176 26 HH12 ARG 3 2HH1 ARG 3 -6.069 -9.260 -28.145 27 HH21 ARG 3 1HH2 ARG 3 -4.298 -10.382 -25.417 28 HH22 ARG 3 2HH2 ARG 3 -5.356 -9.159 -26.031 29 H LYS 4 H LYS 4 -3.638 -16.745 -25.540 30 HA LYS 4 HA LYS 4 -6.104 -18.001 -25.248 31 HB2 LYS 4 2HB LYS 4 -3.473 -18.556 -23.860 32 HB3 LYS 4 3HB LYS 4 -4.871 -19.614 -23.734 33 HG2 LYS 4 2HG LYS 4 -3.447 -18.909 -26.300 34 HG3 LYS 4 3HG LYS 4 -3.228 -20.400 -25.384 35 HD2 LYS 4 2HD LYS 4 -5.794 -19.462 -26.687 36 HD3 LYS 4 3HD LYS 4 -4.741 -20.750 -27.272 37 HE2 LYS 4 2HE LYS 4 -6.247 -20.749 -24.651 38 HE3 LYS 4 3HE LYS 4 -6.705 -21.641 -26.097 39 HZ1 LYS 4 3HZ LYS 4 -4.620 -22.881 -25.923 40 HZ2 LYS 4 1HZ LYS 4 -5.575 -23.071 -24.543 41 HZ3 LYS 4 2HZ LYS 4 -4.231 -22.052 -24.501 42 H LEU 5 H LEU 5 -4.334 -16.024 -22.948 43 HA LEU 5 HA LEU 5 -5.677 -16.762 -20.598 44 HB2 LEU 5 2HB LEU 5 -4.256 -14.207 -21.353 45 HB3 LEU 5 3HB LEU 5 -4.915 -14.487 -19.754 46 HG LEU 5 HG LEU 5 -2.562 -14.942 -19.685 47 HD11 LEU 5 1HD1 LEU 5 -3.972 -16.411 -18.352 48 HD12 LEU 5 2HD1 LEU 5 -2.534 -17.257 -18.920 49 HD13 LEU 5 3HD1 LEU 5 -4.090 -17.544 -19.700 50 HD21 LEU 5 3HD2 LEU 5 -2.999 -16.889 -21.957 51 HD22 LEU 5 1HD2 LEU 5 -1.487 -16.648 -21.076 52 HD23 LEU 5 2HD2 LEU 5 -2.154 -15.343 -22.057 53 H LEU 6 H LEU 6 -6.831 -14.907 -23.242 54 HA LEU 6 HA LEU 6 -8.888 -13.511 -21.759 55 HB2 LEU 6 2HB LEU 6 -8.602 -13.973 -24.734 56 HB3 LEU 6 3HB LEU 6 -9.735 -12.867 -23.981 57 HG LEU 6 HG LEU 6 -6.718 -12.620 -23.916 58 HD11 LEU 6 1HD1 LEU 6 -7.076 -10.658 -25.342 59 HD12 LEU 6 2HD1 LEU 6 -8.803 -11.019 -25.408 60 HD13 LEU 6 3HD1 LEU 6 -7.636 -12.138 -26.115 61 HD21 LEU 6 3HD2 LEU 6 -7.695 -11.739 -21.872 62 HD22 LEU 6 1HD2 LEU 6 -8.859 -10.795 -22.800 63 HD23 LEU 6 2HD2 LEU 6 -7.139 -10.415 -22.892 64 H HIS 7 H HIS 7 -8.525 -16.571 -23.340 65 HA HIS 7 HA HIS 7 -11.313 -17.158 -23.661 66 HB2 HIS 7 2HB HIS 7 -9.418 -18.122 -25.040 67 HB3 HIS 7 3HB HIS 7 -8.996 -19.109 -23.647 68 HD1 HIS 7 HD1 HIS 7 -11.225 -18.965 -26.551 69 HD2 HIS 7 HD2 HIS 7 -11.024 -21.083 -22.983 70 HE1 HIS 7 HE1 HIS 7 -12.732 -20.945 -26.859 71 HE2 HIS 7 HE2 HIS 7 -12.745 -22.096 -24.624 72 H LEU 8 H LEU 8 -9.018 -17.493 -21.075 73 HA LEU 8 HA LEU 8 -10.613 -19.463 -19.636 74 HB2 LEU 8 2HB LEU 8 -8.039 -18.036 -18.941 75 HB3 LEU 8 3HB LEU 8 -8.860 -19.112 -17.830 76 HG LEU 8 HG LEU 8 -7.099 -20.361 -18.816 77 HD11 LEU 8 1HD1 LEU 8 -8.261 -22.171 -19.944 78 HD12 LEU 8 2HD1 LEU 8 -9.652 -21.123 -20.225 79 HD13 LEU 8 3HD1 LEU 8 -9.203 -21.570 -18.578 80 HD21 LEU 8 3HD2 LEU 8 -8.129 -19.520 -21.525 81 HD22 LEU 8 1HD2 LEU 8 -6.786 -20.623 -21.220 82 HD23 LEU 8 2HD2 LEU 8 -6.661 -18.927 -20.745 83 H LEU 9 H LEU 9 -12.068 -19.039 -18.078 84 HA LEU 9 HA LEU 9 -12.853 -16.380 -17.410 85 HB2 LEU 9 2HB LEU 9 -14.274 -18.513 -17.409 86 HB3 LEU 9 3HB LEU 9 -13.534 -18.898 -15.869 87 HG LEU 9 HG LEU 9 -15.127 -16.366 -16.350 88 HD11 LEU 9 1HD1 LEU 9 -16.999 -17.484 -15.242 89 HD12 LEU 9 2HD1 LEU 9 -16.077 -18.987 -15.188 90 HD13 LEU 9 3HD1 LEU 9 -16.558 -18.303 -16.740 91 HD21 LEU 9 3HD2 LEU 9 -15.304 -16.334 -13.896 92 HD22 LEU 9 1HD2 LEU 9 -13.628 -16.246 -14.432 93 HD23 LEU 9 2HD2 LEU 9 -14.273 -17.764 -13.807 94 H CYS 10 H CYS 10 -11.556 -15.081 -16.242 95 HA CYS 10 HA CYS 10 -9.518 -16.168 -14.514 96 HB2 CYS 10 2HB CYS 10 -10.213 -13.308 -15.201 97 HB3 CYS 10 3HB CYS 10 -8.821 -13.794 -14.238 98 HG CYS 10 HG CYS 10 -9.162 -15.137 -17.338 99 H SER 11 H SER 11 -9.057 -15.010 -12.400 100 HA SER 11 HA SER 11 -11.322 -15.524 -10.670 101 HB2 SER 11 2HB SER 11 -9.232 -16.479 -9.977 102 HB3 SER 11 3HB SER 11 -8.406 -14.925 -10.116 103 HG SER 11 HG SER 11 -9.079 -14.404 -8.195 104 HA PRO 12 HA PRO 12 -12.030 -11.100 -9.890 105 HB2 PRO 12 2HB PRO 12 -14.305 -11.378 -8.477 106 HB3 PRO 12 3HB PRO 12 -14.284 -11.589 -10.233 107 HG2 PRO 12 2HG PRO 12 -14.302 -13.660 -8.073 108 HG3 PRO 12 3HG PRO 12 -15.183 -13.645 -9.611 109 HD2 PRO 12 2HD PRO 12 -12.835 -15.040 -9.155 110 HD3 PRO 12 3HD PRO 12 -13.409 -14.540 -10.756 111 H ASP 13 H ASP 13 -10.178 -10.878 -8.515 112 HA ASP 13 HA ASP 13 -9.928 -12.323 -6.088 113 HB2 ASP 13 2HB ASP 13 -8.326 -9.998 -7.159 114 HB3 ASP 13 3HB ASP 13 -7.871 -10.975 -5.761 115 H THR 14 H THR 14 -11.520 -9.343 -6.730 116 HA THR 14 HA THR 14 -11.326 -8.248 -4.094 117 HB THR 14 HB THR 14 -13.324 -6.892 -4.706 118 HG1 THR 14 HG1 THR 14 -14.386 -7.227 -6.583 119 HG21 THR 14 3HG2 THR 14 -11.076 -6.112 -5.316 120 HG22 THR 14 1HG2 THR 14 -12.271 -5.630 -6.521 121 HG23 THR 14 2HG2 THR 14 -11.189 -6.981 -6.847 122 H ARG 15 H ARG 15 -12.988 -10.922 -5.368 123 HA ARG 15 HA ARG 15 -14.981 -11.001 -3.223 124 HB2 ARG 15 2HB ARG 15 -15.696 -11.583 -5.496 125 HB3 ARG 15 3HB ARG 15 -14.495 -12.867 -5.563 126 HG2 ARG 15 2HG ARG 15 -15.658 -14.039 -3.746 127 HG3 ARG 15 3HG ARG 15 -16.868 -12.755 -3.703 128 HD2 ARG 15 2HD ARG 15 -17.582 -13.276 -5.939 129 HD3 ARG 15 3HD ARG 15 -16.268 -14.438 -6.135 130 HE ARG 15 HE ARG 15 -17.686 -15.325 -3.969 131 HH11 ARG 15 1HH1 ARG 15 -18.476 -14.604 -7.244 132 HH12 ARG 15 2HH1 ARG 15 -19.670 -15.851 -7.335 133 HH21 ARG 15 1HH2 ARG 15 -19.220 -16.898 -4.099 134 HH22 ARG 15 2HH2 ARG 15 -20.106 -17.123 -5.566 135 H GLN 16 H GLN 16 -11.800 -11.945 -3.661 136 HA GLN 16 HA GLN 16 -12.007 -14.345 -1.978 137 HB2 GLN 16 2HB GLN 16 -9.848 -13.239 -3.755 138 HB3 GLN 16 3HB GLN 16 -9.440 -14.396 -2.497 139 HG2 GLN 16 2HG GLN 16 -9.729 -15.578 -4.550 140 HG3 GLN 16 3HG GLN 16 -11.066 -15.984 -3.478 141 HE21 GLN 16 1HE2 GLN 16 -10.124 -14.361 -6.384 142 HE22 GLN 16 2HE2 GLN 16 -11.717 -14.108 -6.995 143 HA PRO 17 HA PRO 17 -10.398 -12.369 1.691 144 HB2 PRO 17 2HB PRO 17 -8.641 -14.674 2.219 145 HB3 PRO 17 3HB PRO 17 -10.046 -14.106 3.125 146 HG2 PRO 17 2HG PRO 17 -10.100 -16.385 1.686 147 HG3 PRO 17 3HG PRO 17 -11.530 -15.352 1.868 148 HD2 PRO 17 2HD PRO 17 -9.630 -15.567 -0.448 149 HD3 PRO 17 3HD PRO 17 -11.404 -15.447 -0.452 150 H LEU 18 H LEU 18 -8.713 -11.030 2.274 151 HA LEU 18 HA LEU 18 -6.390 -10.939 0.508 152 HB2 LEU 18 2HB LEU 18 -7.186 -9.117 2.786 153 HB3 LEU 18 3HB LEU 18 -5.878 -8.826 1.654 154 HG LEU 18 HG LEU 18 -8.831 -8.885 0.995 155 HD11 LEU 18 1HD1 LEU 18 -8.134 -6.873 2.180 156 HD12 LEU 18 2HD1 LEU 18 -8.530 -6.517 0.500 157 HD13 LEU 18 3HD1 LEU 18 -6.844 -6.616 1.005 158 HD21 LEU 18 3HD2 LEU 18 -6.457 -8.417 -0.811 159 HD22 LEU 18 1HD2 LEU 18 -8.146 -8.172 -1.257 160 HD23 LEU 18 2HD2 LEU 18 -7.566 -9.789 -0.866 161 H SER 19 H SER 19 -4.225 -10.956 1.242 162 HA SER 19 HA SER 19 -3.813 -12.401 3.788 163 HB2 SER 19 2HB SER 19 -3.144 -13.659 1.764 164 HB3 SER 19 3HB SER 19 -2.037 -12.358 1.328 165 HG SER 19 HG SER 19 -1.914 -14.088 3.576 166 H LEU 20 H LEU 20 -1.382 -12.042 4.553 167 HA LEU 20 HA LEU 20 -1.167 -9.210 5.120 168 HB2 LEU 20 2HB LEU 20 -0.758 -11.318 6.683 169 HB3 LEU 20 3HB LEU 20 0.866 -11.214 6.041 170 HG LEU 20 HG LEU 20 0.652 -10.096 8.222 171 HD11 LEU 20 1HD1 LEU 20 1.715 -7.988 7.662 172 HD12 LEU 20 2HD1 LEU 20 1.164 -8.130 5.993 173 HD13 LEU 20 3HD1 LEU 20 2.331 -9.285 6.635 174 HD21 LEU 20 3HD2 LEU 20 -1.682 -9.415 8.073 175 HD22 LEU 20 1HD2 LEU 20 -1.281 -8.248 6.811 176 HD23 LEU 20 2HD2 LEU 20 -0.650 -8.032 8.444 177 H LEU 21 H LEU 21 0.393 -7.819 4.377 178 HA LEU 21 HA LEU 21 1.658 -8.413 1.908 179 HB2 LEU 21 2HB LEU 21 0.830 -6.186 2.488 180 HB3 LEU 21 3HB LEU 21 2.012 -6.062 3.776 181 HG LEU 21 HG LEU 21 3.836 -6.050 2.131 182 HD11 LEU 21 1HD1 LEU 21 1.646 -6.135 0.045 183 HD12 LEU 21 2HD1 LEU 21 2.794 -7.428 0.396 184 HD13 LEU 21 3HD1 LEU 21 3.368 -5.898 -0.263 185 HD21 LEU 21 3HD2 LEU 21 1.678 -4.025 1.512 186 HD22 LEU 21 1HD2 LEU 21 3.400 -3.852 1.162 187 HD23 LEU 21 2HD2 LEU 21 2.844 -3.928 2.834 188 H GLU 22 H GLU 22 3.659 -9.092 1.414 189 HA GLU 22 HA GLU 22 5.531 -10.185 3.126 190 HB2 GLU 22 2HB GLU 22 5.703 -10.668 0.814 191 HB3 GLU 22 3HB GLU 22 5.773 -8.972 0.375 192 HG2 GLU 22 2HG GLU 22 7.931 -9.939 0.036 193 HG3 GLU 22 3HG GLU 22 8.028 -8.834 1.401 194 H SER 23 H SER 23 7.382 -9.464 4.184 195 HA SER 23 HA SER 23 7.412 -6.879 5.255 196 HB2 SER 23 2HB SER 23 9.656 -7.422 6.114 197 HB3 SER 23 3HB SER 23 8.558 -8.786 6.321 198 HG SER 23 HG SER 23 9.548 -9.851 4.682 199 H LYS 24 H LYS 24 9.367 -8.221 2.590 200 HA LYS 24 HA LYS 24 10.858 -5.892 2.043 201 HB2 LYS 24 2HB LYS 24 11.523 -8.050 1.143 202 HB3 LYS 24 3HB LYS 24 10.044 -8.153 0.202 203 HG2 LYS 24 2HG LYS 24 12.002 -7.555 -1.162 204 HG3 LYS 24 3HG LYS 24 10.744 -6.317 -1.199 205 HD2 LYS 24 2HD LYS 24 12.946 -5.291 -1.005 206 HD3 LYS 24 3HD LYS 24 12.003 -4.997 0.456 207 HE2 LYS 24 2HE LYS 24 13.196 -6.878 1.547 208 HE3 LYS 24 3HE LYS 24 14.182 -7.060 0.098 209 HZ1 LYS 24 3HZ LYS 24 14.959 -4.773 0.422 210 HZ2 LYS 24 1HZ LYS 24 15.342 -5.766 1.735 211 HZ3 LYS 24 2HZ LYS 24 14.062 -4.670 1.855 212 H GLY 25 H GLY 25 7.660 -6.915 0.923 213 HA2 GLY 25 2HA GLY 25 7.250 -4.738 -0.875 214 HA3 GLY 25 3HA GLY 25 5.992 -5.722 -0.145 215 H LEU 26 H LEU 26 6.380 -5.251 2.520 216 HA LEU 26 HA LEU 26 4.897 -2.969 3.009 217 HB2 LEU 26 2HB LEU 26 5.142 -4.878 4.557 218 HB3 LEU 26 3HB LEU 26 6.789 -4.387 4.894 219 HG LEU 26 HG LEU 26 5.936 -2.272 5.879 220 HD11 LEU 26 1HD1 LEU 26 3.217 -3.523 5.467 221 HD12 LEU 26 2HD1 LEU 26 3.839 -2.087 4.655 222 HD13 LEU 26 3HD1 LEU 26 3.552 -2.061 6.396 223 HD21 LEU 26 3HD2 LEU 26 6.431 -4.184 7.305 224 HD22 LEU 26 1HD2 LEU 26 4.789 -4.797 7.077 225 HD23 LEU 26 2HD2 LEU 26 5.054 -3.273 7.928 226 H GLU 27 H GLU 27 8.435 -3.389 3.447 227 HA GLU 27 HA GLU 27 8.936 -0.706 4.172 228 HB2 GLU 27 2HB GLU 27 11.281 -1.143 3.707 229 HB3 GLU 27 3HB GLU 27 10.578 -2.523 4.538 230 HG2 GLU 27 2HG GLU 27 10.423 -3.734 2.431 231 HG3 GLU 27 3HG GLU 27 11.076 -2.342 1.571 232 H ALA 28 H ALA 28 8.606 -2.268 1.021 233 HA ALA 28 HA ALA 28 9.669 -0.142 -0.543 234 HB1 ALA 28 3HB ALA 28 9.422 -2.399 -1.439 235 HB2 ALA 28 1HB ALA 28 8.557 -1.234 -2.438 236 HB3 ALA 28 2HB ALA 28 7.666 -2.269 -1.322 237 H LEU 29 H LEU 29 6.397 -0.904 0.585 238 HA LEU 29 HA LEU 29 5.024 1.205 -0.665 239 HB2 LEU 29 2HB LEU 29 4.541 -0.483 1.752 240 HB3 LEU 29 3HB LEU 29 3.557 0.948 1.544 241 HG LEU 29 HG LEU 29 2.439 -1.069 0.704 242 HD11 LEU 29 1HD1 LEU 29 3.191 0.880 -1.475 243 HD12 LEU 29 2HD1 LEU 29 1.898 1.086 -0.292 244 HD13 LEU 29 3HD1 LEU 29 1.796 -0.204 -1.490 245 HD21 LEU 29 3HD2 LEU 29 4.715 -1.213 -1.283 246 HD22 LEU 29 1HD2 LEU 29 3.246 -2.193 -1.320 247 HD23 LEU 29 2HD2 LEU 29 4.384 -2.362 0.013 248 H ASN 30 H ASN 30 6.448 1.069 2.620 249 HA ASN 30 HA ASN 30 5.848 3.729 3.318 250 HB2 ASN 30 2HB ASN 30 7.950 1.822 4.342 251 HB3 ASN 30 3HB ASN 30 7.738 3.435 5.013 252 HD21 ASN 30 1HD2 ASN 30 6.381 0.259 4.731 253 HD22 ASN 30 2HD2 ASN 30 5.135 0.477 5.909 254 H LYS 31 H LYS 31 8.767 2.373 1.777 255 HA LYS 31 HA LYS 31 10.283 4.708 1.544 256 HB2 LYS 31 2HB LYS 31 9.974 2.404 -0.401 257 HB3 LYS 31 3HB LYS 31 11.192 3.662 -0.570 258 HG2 LYS 31 2HG LYS 31 12.281 2.973 1.450 259 HG3 LYS 31 3HG LYS 31 10.970 1.852 1.830 260 HD2 LYS 31 2HD LYS 31 11.509 0.558 -0.196 261 HD3 LYS 31 3HD LYS 31 12.839 1.664 -0.540 262 HE2 LYS 31 2HE LYS 31 12.585 -0.073 1.919 263 HE3 LYS 31 3HE LYS 31 13.614 -0.407 0.528 264 HZ1 LYS 31 3HZ LYS 31 13.853 1.933 2.335 265 HZ2 LYS 31 1HZ LYS 31 14.831 1.635 0.991 266 HZ3 LYS 31 2HZ LYS 31 14.871 0.589 2.318 267 H ALA 32 H ALA 32 7.795 3.434 -0.655 268 HA ALA 32 HA ALA 32 7.842 5.585 -2.491 269 HB1 ALA 32 3HB ALA 32 6.925 3.387 -3.032 270 HB2 ALA 32 1HB ALA 32 5.742 4.661 -3.324 271 HB3 ALA 32 2HB ALA 32 5.609 3.645 -1.888 272 H ILE 33 H ILE 33 6.096 5.090 0.531 273 HA ILE 33 HA ILE 33 4.297 7.271 0.314 274 HB ILE 33 HB ILE 33 5.439 5.892 2.757 275 HG12 ILE 33 2HG1 ILE 33 2.706 5.737 1.441 276 HG13 ILE 33 3HG1 ILE 33 3.969 4.515 1.328 277 HG21 ILE 33 1HG2 ILE 33 4.817 8.174 3.366 278 HG22 ILE 33 2HG2 ILE 33 3.702 7.013 4.077 279 HG23 ILE 33 3HG2 ILE 33 3.219 7.942 2.660 280 HD11 ILE 33 3HD1 ILE 33 2.261 3.871 2.920 281 HD12 ILE 33 1HD1 ILE 33 2.535 5.349 3.843 282 HD13 ILE 33 2HD1 ILE 33 3.805 4.127 3.733 283 H VAL 34 H VAL 34 7.489 7.017 1.917 284 HA VAL 34 HA VAL 34 7.754 9.718 2.642 285 HB VAL 34 HB VAL 34 9.932 7.746 1.883 286 HG11 VAL 34 1HG1 VAL 34 11.441 9.177 3.200 287 HG12 VAL 34 2HG1 VAL 34 10.139 10.348 3.415 288 HG13 VAL 34 3HG1 VAL 34 10.784 10.028 1.805 289 HG21 VAL 34 3HG2 VAL 34 8.793 8.467 4.592 290 HG22 VAL 34 1HG2 VAL 34 10.146 7.374 4.299 291 HG23 VAL 34 2HG2 VAL 34 8.533 6.954 3.724 292 H SER 35 H SER 35 8.490 8.027 -0.362 293 HA SER 35 HA SER 35 9.604 10.260 -1.741 294 HB2 SER 35 2HB SER 35 9.980 7.914 -2.447 295 HB3 SER 35 3HB SER 35 8.279 7.787 -2.891 296 HG SER 35 HG SER 35 10.230 9.517 -4.026 297 H GLY 36 H GLY 36 6.363 9.301 -1.016 298 HA2 GLY 36 2HA GLY 36 4.405 10.500 -1.264 299 HA3 GLY 36 3HA GLY 36 5.312 11.750 -2.094 300 H THR 37 H THR 37 5.543 8.507 -3.310 301 HA THR 37 HA THR 37 4.058 9.340 -5.708 302 HB THR 37 HB THR 37 6.305 8.435 -6.076 303 HG1 THR 37 HG1 THR 37 4.225 6.722 -7.040 304 HG21 THR 37 3HG2 THR 37 6.777 6.050 -5.715 305 HG22 THR 37 1HG2 THR 37 5.210 5.861 -4.927 306 HG23 THR 37 2HG2 THR 37 6.449 6.880 -4.195 307 H VAL 38 H VAL 38 3.381 7.709 -2.909 308 HA VAL 38 HA VAL 38 1.666 5.657 -4.010 309 HB VAL 38 HB VAL 38 1.877 6.679 -1.162 310 HG11 VAL 38 1HG1 VAL 38 0.522 4.200 -2.245 311 HG12 VAL 38 2HG1 VAL 38 -0.281 5.613 -1.555 312 HG13 VAL 38 3HG1 VAL 38 0.735 4.590 -0.537 313 HG21 VAL 38 3HG2 VAL 38 3.213 4.684 -0.739 314 HG22 VAL 38 1HG2 VAL 38 3.961 5.677 -1.991 315 HG23 VAL 38 2HG2 VAL 38 3.079 4.217 -2.436 316 H GLN 39 H GLN 39 0.066 6.560 -5.239 317 HA GLN 39 HA GLN 39 -1.587 8.703 -4.137 318 HB2 GLN 39 2HB GLN 39 -1.756 7.356 -6.848 319 HB3 GLN 39 3HB GLN 39 -2.615 8.808 -6.349 320 HG2 GLN 39 2HG GLN 39 -0.453 9.975 -6.110 321 HG3 GLN 39 3HG GLN 39 0.369 8.527 -6.692 322 HE21 GLN 39 1HE2 GLN 39 1.203 9.521 -8.507 323 HE22 GLN 39 2HE2 GLN 39 0.225 10.014 -9.839 324 H ARG 40 H ARG 40 -3.473 8.318 -3.148 325 HA ARG 40 HA ARG 40 -4.673 5.750 -2.924 326 HB2 ARG 40 2HB ARG 40 -5.662 8.541 -2.314 327 HB3 ARG 40 3HB ARG 40 -6.654 7.117 -2.042 328 HG2 ARG 40 2HG ARG 40 -5.012 6.250 -0.462 329 HG3 ARG 40 3HG ARG 40 -3.975 7.648 -0.757 330 HD2 ARG 40 2HD ARG 40 -5.465 9.123 0.296 331 HD3 ARG 40 3HD ARG 40 -6.812 7.991 0.183 332 HE ARG 40 HE ARG 40 -5.064 6.703 1.791 333 HH11 ARG 40 1HH1 ARG 40 -6.356 9.904 1.889 334 HH12 ARG 40 2HH1 ARG 40 -6.376 9.943 3.616 335 HH21 ARG 40 1HH2 ARG 40 -5.121 6.771 3.980 336 HH22 ARG 40 2HH2 ARG 40 -5.696 8.193 4.788 337 H ALA 41 H ALA 41 -6.766 5.069 -3.788 338 HA ALA 41 HA ALA 41 -7.231 5.529 -6.502 339 HB1 ALA 41 3HB ALA 41 -8.118 3.592 -5.298 340 HB2 ALA 41 1HB ALA 41 -9.397 4.433 -6.175 341 HB3 ALA 41 2HB ALA 41 -9.241 4.634 -4.428 342 H ASP 42 H ASP 42 -8.179 7.388 -3.761 343 HA ASP 42 HA ASP 42 -10.222 8.975 -4.917 344 HB2 ASP 42 2HB ASP 42 -9.930 8.808 -2.502 345 HB3 ASP 42 3HB ASP 42 -8.319 9.512 -2.619 346 H GLY 43 H GLY 43 -6.739 9.076 -5.103 347 HA2 GLY 43 2HA GLY 43 -5.704 10.311 -6.932 348 HA3 GLY 43 3HA GLY 43 -6.885 11.587 -6.667 349 H SER 44 H SER 44 -6.501 11.240 -3.694 350 HA SER 44 HA SER 44 -4.403 13.170 -3.359 351 HB2 SER 44 2HB SER 44 -6.042 11.671 -1.296 352 HB3 SER 44 3HB SER 44 -4.984 13.039 -0.953 353 HG SER 44 HG SER 44 -7.426 12.986 -2.373 354 H ILE 45 H ILE 45 -2.570 12.930 -1.895 355 HA ILE 45 HA ILE 45 -1.178 10.438 -2.388 356 HB ILE 45 HB ILE 45 -0.252 12.967 -1.007 357 HG12 ILE 45 2HG1 ILE 45 -0.786 13.289 -3.392 358 HG13 ILE 45 3HG1 ILE 45 0.944 13.429 -3.103 359 HG21 ILE 45 1HG2 ILE 45 1.057 11.070 -0.239 360 HG22 ILE 45 2HG2 ILE 45 2.030 12.081 -1.307 361 HG23 ILE 45 3HG2 ILE 45 1.350 10.565 -1.903 362 HD11 ILE 45 3HD1 ILE 45 1.271 11.167 -3.959 363 HD12 ILE 45 1HD1 ILE 45 0.483 12.205 -5.145 364 HD13 ILE 45 2HD1 ILE 45 -0.464 11.023 -4.245 365 H GLN 46 H GLN 46 -0.643 8.889 -0.947 366 HA GLN 46 HA GLN 46 -1.843 8.806 1.652 367 HB2 GLN 46 2HB GLN 46 -1.490 6.803 0.215 368 HB3 GLN 46 3HB GLN 46 0.245 6.983 0.427 369 HG2 GLN 46 2HG GLN 46 -0.472 5.265 1.889 370 HG3 GLN 46 3HG GLN 46 -0.105 6.667 2.889 371 HE21 GLN 46 1HE2 GLN 46 -1.857 4.324 3.338 372 HE22 GLN 46 2HE2 GLN 46 -3.415 4.971 3.712 373 H ASN 47 H ASN 47 -1.049 10.220 3.135 374 HA ASN 47 HA ASN 47 1.824 10.726 3.298 375 HB2 ASN 47 2HB ASN 47 -0.534 12.015 4.685 376 HB3 ASN 47 3HB ASN 47 1.142 12.468 4.985 377 HD21 ASN 47 1HD2 ASN 47 -1.473 12.538 2.693 378 HD22 ASN 47 2HD2 ASN 47 -0.758 13.691 1.628 379 H GLN 48 H GLN 48 -0.670 9.034 5.082 380 HA GLN 48 HA GLN 48 0.880 8.747 7.492 381 HB2 GLN 48 2HB GLN 48 -1.609 7.308 6.547 382 HB3 GLN 48 3HB GLN 48 -0.877 7.073 8.128 383 HG2 GLN 48 2HG GLN 48 -1.240 9.480 8.599 384 HG3 GLN 48 3HG GLN 48 -2.083 9.620 7.057 385 HE21 GLN 48 1HE2 GLN 48 -2.207 8.320 10.281 386 HE22 GLN 48 2HE2 GLN 48 -3.900 7.965 10.282 387 H SER 49 H SER 49 2.706 7.551 7.509 388 HA SER 49 HA SER 49 3.147 5.281 5.815 389 HB2 SER 49 2HB SER 49 5.197 4.933 7.132 390 HB3 SER 49 3HB SER 49 5.028 6.630 6.692 391 HG SER 49 HG SER 49 5.527 5.856 9.027 392 H LEU 50 H LEU 50 3.277 3.030 6.478 393 HA LEU 50 HA LEU 50 1.591 2.458 8.827 394 HB2 LEU 50 2HB LEU 50 0.593 0.567 7.352 395 HB3 LEU 50 3HB LEU 50 -0.001 2.207 7.203 396 HG LEU 50 HG LEU 50 1.533 2.473 5.201 397 HD11 LEU 50 1HD1 LEU 50 2.235 0.421 4.049 398 HD12 LEU 50 2HD1 LEU 50 1.736 -0.527 5.451 399 HD13 LEU 50 3HD1 LEU 50 3.057 0.631 5.594 400 HD21 LEU 50 3HD2 LEU 50 -0.669 0.415 5.031 401 HD22 LEU 50 1HD2 LEU 50 -0.011 1.335 3.680 402 HD23 LEU 50 2HD2 LEU 50 -0.873 2.165 4.975 403 H HIS 51 H HIS 51 2.093 0.800 10.080 404 HA HIS 51 HA HIS 51 4.502 -0.746 9.546 405 HB2 HIS 51 2HB HIS 51 2.615 -0.793 11.923 406 HB3 HIS 51 3HB HIS 51 4.150 -1.646 11.828 407 HD1 HIS 51 HD1 HIS 51 2.670 1.550 12.793 408 HD2 HIS 51 HD2 HIS 51 6.444 0.155 11.759 409 HE1 HIS 51 HE1 HIS 51 4.277 3.274 13.644 410 HE2 HIS 51 HE2 HIS 51 6.555 2.350 13.124 411 H GLU 52 H GLU 52 1.120 -1.087 9.143 412 HA GLU 52 HA GLU 52 1.415 -3.975 8.625 413 HB2 GLU 52 2HB GLU 52 0.309 -3.398 10.878 414 HB3 GLU 52 3HB GLU 52 -1.052 -2.819 9.929 415 HG2 GLU 52 2HG GLU 52 -1.602 -5.011 10.554 416 HG3 GLU 52 3HG GLU 52 -1.116 -5.118 8.863 417 H ALA 53 H ALA 53 0.286 -4.757 6.850 418 HA ALA 53 HA ALA 53 -1.719 -3.142 5.524 419 HB1 ALA 53 3HB ALA 53 0.371 -2.114 4.737 420 HB2 ALA 53 1HB ALA 53 -0.522 -2.888 3.424 421 HB3 ALA 53 2HB ALA 53 0.897 -3.680 4.115 422 H LEU 54 H LEU 54 -2.886 -4.229 3.922 423 HA LEU 54 HA LEU 54 -2.586 -7.149 3.875 424 HB2 LEU 54 2HB LEU 54 -4.844 -5.326 3.043 425 HB3 LEU 54 3HB LEU 54 -4.840 -7.044 2.699 426 HG LEU 54 HG LEU 54 -4.761 -5.845 5.475 427 HD11 LEU 54 1HD1 LEU 54 -7.051 -7.106 3.958 428 HD12 LEU 54 2HD1 LEU 54 -6.894 -5.399 4.374 429 HD13 LEU 54 3HD1 LEU 54 -7.083 -6.603 5.648 430 HD21 LEU 54 3HD2 LEU 54 -3.694 -8.044 5.346 431 HD22 LEU 54 1HD2 LEU 54 -5.124 -8.703 4.550 432 HD23 LEU 54 2HD2 LEU 54 -5.223 -8.137 6.217 433 H ILE 55 H ILE 55 -2.780 -8.307 1.870 434 HA ILE 55 HA ILE 55 -2.213 -6.793 -0.580 435 HB ILE 55 HB ILE 55 -0.029 -7.495 0.334 436 HG12 ILE 55 2HG1 ILE 55 0.799 -8.727 -1.676 437 HG13 ILE 55 3HG1 ILE 55 -0.871 -8.989 -2.169 438 HG21 ILE 55 1HG2 ILE 55 0.571 -9.870 0.466 439 HG22 ILE 55 2HG2 ILE 55 -1.093 -10.310 0.077 440 HG23 ILE 55 3HG2 ILE 55 -0.735 -9.460 1.581 441 HD11 ILE 55 3HD1 ILE 55 0.466 -6.308 -1.862 442 HD12 ILE 55 1HD1 ILE 55 -1.190 -6.591 -2.401 443 HD13 ILE 55 2HD1 ILE 55 0.164 -7.149 -3.382 444 H THR 56 H THR 56 -3.259 -7.589 -2.348 445 HA THR 56 HA THR 56 -5.138 -9.687 -2.188 446 HB THR 56 HB THR 56 -5.162 -9.619 -4.704 447 HG1 THR 56 HG1 THR 56 -2.981 -7.878 -4.200 448 HG21 THR 56 3HG2 THR 56 -6.053 -7.342 -4.863 449 HG22 THR 56 1HG2 THR 56 -5.306 -6.933 -3.319 450 HG23 THR 56 2HG2 THR 56 -6.602 -8.128 -3.385 451 H ARG 57 H ARG 57 -5.126 -11.749 -3.397 452 HA ARG 57 HA ARG 57 -3.049 -13.363 -2.444 453 HB2 ARG 57 2HB ARG 57 -4.927 -14.111 -4.685 454 HB3 ARG 57 3HB ARG 57 -4.150 -15.187 -3.528 455 HG2 ARG 57 2HG ARG 57 -5.475 -14.099 -1.718 456 HG3 ARG 57 3HG ARG 57 -6.328 -13.177 -2.958 457 HD2 ARG 57 2HD ARG 57 -7.663 -15.086 -2.375 458 HD3 ARG 57 3HD ARG 57 -7.017 -15.335 -3.998 459 HE ARG 57 HE ARG 57 -5.913 -16.601 -1.576 460 HH11 ARG 57 1HH1 ARG 57 -6.671 -16.685 -4.942 461 HH12 ARG 57 2HH1 ARG 57 -6.151 -18.326 -5.120 462 HH21 ARG 57 1HH2 ARG 57 -5.247 -18.676 -1.825 463 HH22 ARG 57 2HH2 ARG 57 -5.363 -19.444 -3.372 464 H ASP 58 H ASP 58 -3.510 -11.967 -5.655 465 HA ASP 58 HA ASP 58 -1.027 -13.230 -6.591 466 HB2 ASP 58 2HB ASP 58 -3.249 -11.817 -8.091 467 HB3 ASP 58 3HB ASP 58 -1.777 -12.420 -8.852 468 H ARG 59 H ARG 59 -1.341 -10.843 -4.733 469 HA ARG 59 HA ARG 59 -0.260 -8.908 -4.262 470 HB2 ARG 59 2HB ARG 59 1.670 -10.053 -6.289 471 HB3 ARG 59 3HB ARG 59 2.035 -8.684 -5.243 472 HG2 ARG 59 2HG ARG 59 1.753 -10.070 -3.271 473 HG3 ARG 59 3HG ARG 59 1.277 -11.440 -4.273 474 HD2 ARG 59 2HD ARG 59 3.499 -11.480 -5.289 475 HD3 ARG 59 3HD ARG 59 3.974 -10.079 -4.326 476 HE ARG 59 HE ARG 59 3.345 -11.694 -2.379 477 HH11 ARG 59 1HH1 ARG 59 5.021 -12.496 -5.283 478 HH12 ARG 59 2HH1 ARG 59 5.847 -13.834 -4.561 479 HH21 ARG 59 1HH2 ARG 59 4.417 -13.398 -1.460 480 HH22 ARG 59 2HH2 ARG 59 5.506 -14.341 -2.418 481 H LYS 60 H LYS 60 -2.302 -8.692 -6.241 482 HA LYS 60 HA LYS 60 -1.483 -6.801 -8.255 483 HB2 LYS 60 2HB LYS 60 -4.260 -7.511 -7.269 484 HB3 LYS 60 3HB LYS 60 -3.879 -6.647 -8.750 485 HG2 LYS 60 2HG LYS 60 -2.923 -9.450 -8.214 486 HG3 LYS 60 3HG LYS 60 -4.472 -9.095 -8.978 487 HD2 LYS 60 2HD LYS 60 -1.778 -8.189 -10.018 488 HD3 LYS 60 3HD LYS 60 -2.671 -9.591 -10.610 489 HE2 LYS 60 2HE LYS 60 -3.516 -6.695 -10.753 490 HE3 LYS 60 3HE LYS 60 -3.068 -7.743 -12.098 491 HZ1 LYS 60 3HZ LYS 60 -5.397 -7.684 -12.088 492 HZ2 LYS 60 1HZ LYS 60 -5.497 -7.874 -10.411 493 HZ3 LYS 60 2HZ LYS 60 -5.014 -9.169 -11.378 494 H GLN 61 H GLN 61 -3.735 -6.514 -5.488 495 HA GLN 61 HA GLN 61 -3.171 -3.612 -5.366 496 HB2 GLN 61 2HB GLN 61 -5.643 -5.141 -4.512 497 HB3 GLN 61 3HB GLN 61 -5.420 -3.408 -4.334 498 HG2 GLN 61 2HG GLN 61 -5.471 -3.068 -6.680 499 HG3 GLN 61 3HG GLN 61 -5.344 -4.795 -7.003 500 HE21 GLN 61 1HE2 GLN 61 -7.383 -2.875 -7.855 501 HE22 GLN 61 2HE2 GLN 61 -8.885 -3.493 -7.272 502 H VAL 62 H VAL 62 -3.000 -2.595 -3.341 503 HA VAL 62 HA VAL 62 -2.452 -4.346 -1.017 504 HB VAL 62 HB VAL 62 -1.243 -1.627 -1.613 505 HG11 VAL 62 1HG1 VAL 62 0.246 -2.108 0.288 506 HG12 VAL 62 2HG1 VAL 62 -0.648 -3.595 0.604 507 HG13 VAL 62 3HG1 VAL 62 -1.443 -2.031 0.777 508 HG21 VAL 62 3HG2 VAL 62 0.870 -2.849 -1.963 509 HG22 VAL 62 1HG2 VAL 62 -0.362 -3.287 -3.148 510 HG23 VAL 62 2HG2 VAL 62 -0.002 -4.374 -1.807 511 H PHE 63 H PHE 63 -3.212 -3.661 1.027 512 HA PHE 63 HA PHE 63 -4.933 -1.266 1.097 513 HB2 PHE 63 2HB PHE 63 -5.660 -4.021 2.117 514 HB3 PHE 63 3HB PHE 63 -6.535 -2.562 2.561 515 HD1 PHE 63 HD2 PHE 63 -5.706 -4.832 -0.238 516 HD2 PHE 63 HD1 PHE 63 -8.078 -1.534 1.062 517 HE1 PHE 63 HE2 PHE 63 -7.107 -5.047 -2.247 518 HE2 PHE 63 HE1 PHE 63 -9.478 -1.751 -0.949 519 HZ PHE 63 HZ PHE 63 -8.994 -3.508 -2.607 520 H ARG 64 H ARG 64 -5.409 -0.535 3.350 521 HA ARG 64 HA ARG 64 -2.958 -0.773 4.954 522 HB2 ARG 64 2HB ARG 64 -3.517 1.478 4.275 523 HB3 ARG 64 3HB ARG 64 -5.148 1.316 4.915 524 HG2 ARG 64 2HG ARG 64 -4.244 1.170 7.188 525 HG3 ARG 64 3HG ARG 64 -2.608 1.328 6.549 526 HD2 ARG 64 2HD ARG 64 -3.086 3.551 5.741 527 HD3 ARG 64 3HD ARG 64 -4.784 3.389 6.189 528 HE ARG 64 HE ARG 64 -2.814 3.158 8.321 529 HH11 ARG 64 1HH1 ARG 64 -5.155 5.105 6.707 530 HH12 ARG 64 2HH1 ARG 64 -5.319 6.194 8.039 531 HH21 ARG 64 1HH2 ARG 64 -3.058 4.561 10.039 532 HH22 ARG 64 2HH2 ARG 64 -4.156 5.885 9.897 533 H ILE 65 H ILE 65 -2.936 -1.384 7.098 534 HA ILE 65 HA ILE 65 -5.538 -2.029 8.362 535 HB ILE 65 HB ILE 65 -2.858 -3.324 8.929 536 HG12 ILE 65 2HG1 ILE 65 -5.318 -4.444 7.554 537 HG13 ILE 65 3HG1 ILE 65 -3.794 -4.043 6.770 538 HG21 ILE 65 1HG2 ILE 65 -4.145 -4.859 10.367 539 HG22 ILE 65 2HG2 ILE 65 -5.597 -3.903 10.073 540 HG23 ILE 65 3HG2 ILE 65 -4.233 -3.191 10.934 541 HD11 ILE 65 3HD1 ILE 65 -3.973 -6.424 7.119 542 HD12 ILE 65 1HD1 ILE 65 -4.219 -6.178 8.847 543 HD13 ILE 65 2HD1 ILE 65 -2.673 -5.762 8.109 544 H GLU 66 H GLU 66 -5.882 -0.088 9.405 545 HA GLU 66 HA GLU 66 -3.786 1.002 11.134 546 HB2 GLU 66 2HB GLU 66 -5.172 2.952 11.358 547 HB3 GLU 66 3HB GLU 66 -5.151 2.504 9.659 548 HG2 GLU 66 2HG GLU 66 -7.355 1.390 9.989 549 HG3 GLU 66 3HG GLU 66 -7.374 2.014 11.636 550 H ASP 67 H ASP 67 -4.072 1.324 13.380 551 HA ASP 67 HA ASP 67 -4.624 0.733 15.503 552 HB2 ASP 67 2HB ASP 67 -6.753 1.829 14.966 553 HB3 ASP 67 3HB ASP 67 -7.372 0.333 14.281 554 H SER 68 H SER 68 -6.885 -1.472 13.926 555 HA SER 68 HA SER 68 -5.224 -3.778 13.971 556 HB2 SER 68 2HB SER 68 -5.679 -3.563 16.426 557 HB3 SER 68 3HB SER 68 -7.403 -3.694 16.084 558 HG SER 68 HG SER 68 -5.575 -5.648 16.347 559 H ILE 69 H ILE 69 -7.152 -2.231 12.323 560 HA ILE 69 HA ILE 69 -9.236 -4.274 11.838 561 HB ILE 69 HB ILE 69 -9.375 -1.295 11.300 562 HG12 ILE 69 2HG1 ILE 69 -9.512 -1.782 13.695 563 HG13 ILE 69 3HG1 ILE 69 -11.078 -1.256 13.089 564 HG21 ILE 69 1HG2 ILE 69 -10.648 -2.549 9.650 565 HG22 ILE 69 2HG2 ILE 69 -11.737 -1.705 10.749 566 HG23 ILE 69 3HG2 ILE 69 -11.473 -3.441 10.931 567 HD11 ILE 69 3HD1 ILE 69 -11.357 -3.074 14.634 568 HD12 ILE 69 1HD1 ILE 69 -10.250 -4.084 13.708 569 HD13 ILE 69 2HD1 ILE 69 -11.802 -3.610 13.017 570 HA PRO 70 HA PRO 70 -7.219 -4.605 7.762 571 HB2 PRO 70 2HB PRO 70 -9.033 -6.439 6.788 572 HB3 PRO 70 3HB PRO 70 -7.613 -6.865 7.751 573 HG2 PRO 70 2HG PRO 70 -10.466 -6.557 8.612 574 HG3 PRO 70 3HG PRO 70 -9.271 -7.776 9.099 575 HD2 PRO 70 2HD PRO 70 -9.903 -5.669 10.669 576 HD3 PRO 70 3HD PRO 70 -8.270 -6.365 10.633 577 H VAL 71 H VAL 71 -7.788 -2.475 7.126 578 HA VAL 71 HA VAL 71 -10.474 -1.707 6.496 579 HB VAL 71 HB VAL 71 -7.871 -0.321 5.799 580 HG11 VAL 71 1HG1 VAL 71 -10.694 0.754 5.896 581 HG12 VAL 71 2HG1 VAL 71 -9.735 0.488 4.441 582 HG13 VAL 71 3HG1 VAL 71 -9.238 1.708 5.612 583 HG21 VAL 71 3HG2 VAL 71 -9.704 0.076 8.169 584 HG22 VAL 71 1HG2 VAL 71 -8.271 1.034 7.797 585 HG23 VAL 71 2HG2 VAL 71 -8.106 -0.674 8.210 586 H LEU 72 H LEU 72 -11.508 -2.552 4.788 587 HA LEU 72 HA LEU 72 -10.057 -3.182 2.318 588 HB2 LEU 72 2HB LEU 72 -12.973 -3.645 2.959 589 HB3 LEU 72 3HB LEU 72 -12.044 -4.370 1.658 590 HG LEU 72 HG LEU 72 -11.690 -4.900 4.617 591 HD11 LEU 72 1HD1 LEU 72 -13.679 -5.951 3.650 592 HD12 LEU 72 2HD1 LEU 72 -12.462 -7.144 4.097 593 HD13 LEU 72 3HD1 LEU 72 -12.678 -6.701 2.404 594 HD21 LEU 72 3HD2 LEU 72 -10.048 -6.584 3.938 595 HD22 LEU 72 1HD2 LEU 72 -9.538 -4.962 3.474 596 HD23 LEU 72 2HD2 LEU 72 -10.200 -6.059 2.262 597 H LEU 73 H LEU 73 -11.181 -0.413 3.449 598 HA LEU 73 HA LEU 73 -13.081 0.522 1.581 599 HB2 LEU 73 2HB LEU 73 -11.096 2.074 3.245 600 HB3 LEU 73 3HB LEU 73 -12.433 2.789 2.364 601 HG LEU 73 HG LEU 73 -12.698 0.826 4.652 602 HD11 LEU 73 1HD1 LEU 73 -11.891 3.003 5.396 603 HD12 LEU 73 2HD1 LEU 73 -13.552 2.730 5.922 604 HD13 LEU 73 3HD1 LEU 73 -13.225 3.798 4.555 605 HD21 LEU 73 3HD2 LEU 73 -14.521 0.633 3.022 606 HD22 LEU 73 1HD2 LEU 73 -14.819 2.366 3.147 607 HD23 LEU 73 2HD2 LEU 73 -15.083 1.322 4.543 608 HA PRO 74 HA PRO 74 -10.647 1.005 -2.092 609 HB2 PRO 74 2HB PRO 74 -12.179 2.906 -3.361 610 HB3 PRO 74 3HB PRO 74 -12.583 1.187 -3.300 611 HG2 PRO 74 2HG PRO 74 -13.604 3.430 -1.591 612 HG3 PRO 74 3HG PRO 74 -14.501 2.091 -2.333 613 HD2 PRO 74 2HD PRO 74 -13.828 2.055 0.265 614 HD3 PRO 74 3HD PRO 74 -13.816 0.569 -0.712 615 H GLU 75 H GLU 75 -11.309 3.666 0.032 616 HA GLU 75 HA GLU 75 -9.771 5.670 -1.240 617 HB2 GLU 75 2HB GLU 75 -9.725 6.750 1.002 618 HB3 GLU 75 3HB GLU 75 -11.337 6.260 0.499 619 HG2 GLU 75 2HG GLU 75 -11.190 4.281 1.926 620 HG3 GLU 75 3HG GLU 75 -9.568 4.755 2.425 621 H GLU 76 H GLU 76 -8.903 3.102 1.024 622 HA GLU 76 HA GLU 76 -6.113 4.002 1.109 623 HB2 GLU 76 2HB GLU 76 -7.499 1.753 2.597 624 HB3 GLU 76 3HB GLU 76 -5.847 2.291 2.867 625 HG2 GLU 76 2HG GLU 76 -8.152 4.189 3.184 626 HG3 GLU 76 3HG GLU 76 -7.716 3.072 4.471 627 H ALA 77 H ALA 77 -7.783 2.359 -1.072 628 HA ALA 77 HA ALA 77 -6.246 -0.046 -1.389 629 HB1 ALA 77 3HB ALA 77 -8.087 1.322 -3.354 630 HB2 ALA 77 1HB ALA 77 -8.568 0.112 -2.164 631 HB3 ALA 77 2HB ALA 77 -7.472 -0.329 -3.474 632 H ILE 78 H ILE 78 -4.140 0.092 -1.895 633 HA ILE 78 HA ILE 78 -3.215 2.176 -3.757 634 HB ILE 78 HB ILE 78 -1.570 0.394 -1.945 635 HG12 ILE 78 2HG1 ILE 78 -2.957 1.843 -0.581 636 HG13 ILE 78 3HG1 ILE 78 -1.304 2.444 -0.544 637 HG21 ILE 78 1HG2 ILE 78 0.246 1.988 -2.393 638 HG22 ILE 78 2HG2 ILE 78 -0.803 2.860 -3.513 639 HG23 ILE 78 3HG2 ILE 78 -0.313 1.203 -3.872 640 HD11 ILE 78 3HD1 ILE 78 -2.865 4.274 -0.715 641 HD12 ILE 78 1HD1 ILE 78 -3.583 3.571 -2.164 642 HD13 ILE 78 2HD1 ILE 78 -1.920 4.162 -2.199 643 H ALA 79 H ALA 79 -2.252 1.691 -5.687 644 HA ALA 79 HA ALA 79 -2.391 -1.083 -6.608 645 HB1 ALA 79 3HB ALA 79 -1.826 1.439 -8.174 646 HB2 ALA 79 1HB ALA 79 -3.410 0.687 -7.981 647 HB3 ALA 79 2HB ALA 79 -2.129 -0.164 -8.844 648 H THR 80 H THR 80 -0.642 -2.363 -6.663 649 HA THR 80 HA THR 80 1.915 -1.628 -5.813 650 HB THR 80 HB THR 80 2.700 -3.801 -6.756 651 HG1 THR 80 HG1 THR 80 0.279 -4.778 -7.459 652 HG21 THR 80 3HG2 THR 80 1.273 -5.232 -5.372 653 HG22 THR 80 1HG2 THR 80 0.058 -3.954 -5.283 654 HG23 THR 80 2HG2 THR 80 1.641 -3.723 -4.536 655 H ILE 81 H ILE 81 0.572 -1.615 -9.051 656 HA ILE 81 HA ILE 81 2.930 -1.471 -10.558 657 HB ILE 81 HB ILE 81 0.721 -1.874 -11.553 658 HG12 ILE 81 2HG1 ILE 81 0.937 -0.385 -13.545 659 HG13 ILE 81 3HG1 ILE 81 2.112 0.585 -12.664 660 HG21 ILE 81 1HG2 ILE 81 0.170 1.045 -11.010 661 HG22 ILE 81 2HG2 ILE 81 -0.580 -0.321 -10.184 662 HG23 ILE 81 3HG2 ILE 81 -0.873 -0.063 -11.905 663 HD11 ILE 81 3HD1 ILE 81 2.422 -2.309 -13.428 664 HD12 ILE 81 1HD1 ILE 81 3.600 -1.350 -12.536 665 HD13 ILE 81 2HD1 ILE 81 3.203 -0.932 -14.201 666 H GLN 82 H GLN 82 1.424 0.926 -8.562 667 HA GLN 82 HA GLN 82 2.765 3.184 -9.825 668 HB2 GLN 82 2HB GLN 82 1.054 3.069 -7.330 669 HB3 GLN 82 3HB GLN 82 1.583 4.531 -8.150 670 HG2 GLN 82 2HG GLN 82 -0.161 2.426 -9.418 671 HG3 GLN 82 3HG GLN 82 -0.777 3.865 -8.611 672 HE21 GLN 82 1HE2 GLN 82 0.970 2.676 -11.391 673 HE22 GLN 82 2HE2 GLN 82 0.808 4.107 -12.337 674 H ILE 83 H ILE 83 3.658 0.852 -7.586 675 HA ILE 83 HA ILE 83 5.235 2.614 -5.880 676 HB ILE 83 HB ILE 83 5.121 -0.411 -5.850 677 HG12 ILE 83 2HG1 ILE 83 2.885 0.478 -5.454 678 HG13 ILE 83 3HG1 ILE 83 3.545 -0.132 -3.941 679 HG21 ILE 83 1HG2 ILE 83 5.962 -0.161 -3.535 680 HG22 ILE 83 2HG2 ILE 83 6.107 1.578 -3.796 681 HG23 ILE 83 3HG2 ILE 83 7.097 0.460 -4.739 682 HD11 ILE 83 3HD1 ILE 83 3.381 2.756 -4.779 683 HD12 ILE 83 1HD1 ILE 83 4.089 2.164 -3.274 684 HD13 ILE 83 2HD1 ILE 83 2.369 1.942 -3.587 685 H ALA 84 H ALA 84 6.892 3.450 -7.059 686 HA ALA 84 HA ALA 84 8.398 2.233 -9.042 687 HB1 ALA 84 3HB ALA 84 9.334 4.373 -7.135 688 HB2 ALA 84 1HB ALA 84 8.377 4.649 -8.589 689 HB3 ALA 84 2HB ALA 84 10.015 4.014 -8.722 690 H ASN 85 H ASN 85 8.697 1.831 -5.602 691 HA ASN 85 HA ASN 85 11.369 0.641 -5.867 692 HB2 ASN 85 2HB ASN 85 9.824 1.429 -3.382 693 HB3 ASN 85 3HB ASN 85 11.462 0.780 -3.401 694 HD21 ASN 85 1HD2 ASN 85 9.489 3.564 -3.987 695 HD22 ASN 85 2HD2 ASN 85 10.783 4.671 -4.250 696 H PHE 86 H PHE 86 8.383 -0.526 -6.246 697 HA PHE 86 HA PHE 86 8.242 -2.738 -4.498 698 HB2 PHE 86 2HB PHE 86 6.454 -1.700 -6.125 699 HB3 PHE 86 3HB PHE 86 7.105 -2.857 -7.280 700 HD1 PHE 86 HD1 PHE 86 5.572 -2.555 -3.926 701 HD2 PHE 86 HD2 PHE 86 6.422 -5.114 -7.221 702 HE1 PHE 86 HE1 PHE 86 4.143 -4.302 -2.933 703 HE2 PHE 86 HE2 PHE 86 4.999 -6.866 -6.238 704 HZ PHE 86 HZ PHE 86 3.857 -6.461 -4.091 705 HA PRO 87 HA PRO 87 11.540 -5.410 -5.783 706 HB2 PRO 87 2HB PRO 87 9.484 -7.562 -5.412 707 HB3 PRO 87 3HB PRO 87 11.142 -7.466 -4.799 708 HG2 PRO 87 2HG PRO 87 9.103 -6.952 -3.189 709 HG3 PRO 87 3HG PRO 87 10.572 -5.955 -3.118 710 HD2 PRO 87 2HD PRO 87 7.904 -5.320 -4.315 711 HD3 PRO 87 3HD PRO 87 9.044 -4.255 -3.469 712 H ASP 88 H ASP 88 11.926 -5.086 -7.949 713 HA ASP 88 HA ASP 88 10.219 -6.356 -9.946 714 HB2 ASP 88 2HB ASP 88 11.095 -4.098 -10.384 715 HB3 ASP 88 3HB ASP 88 12.744 -4.714 -10.275 716 H LYS 89 H LYS 89 11.267 -7.686 -11.676 717 HA LYS 89 HA LYS 89 12.370 -9.531 -12.372 718 HB2 LYS 89 2HB LYS 89 14.343 -8.852 -10.198 719 HB3 LYS 89 3HB LYS 89 14.572 -10.157 -11.351 720 HG2 LYS 89 2HG LYS 89 14.190 -7.299 -12.222 721 HG3 LYS 89 3HG LYS 89 15.771 -7.956 -11.805 722 HD2 LYS 89 2HD LYS 89 15.712 -8.221 -14.109 723 HD3 LYS 89 3HD LYS 89 15.199 -9.805 -13.535 724 HE2 LYS 89 2HE LYS 89 13.811 -9.085 -15.387 725 HE3 LYS 89 3HE LYS 89 12.854 -9.163 -13.910 726 HZ1 LYS 89 3HZ LYS 89 13.941 -6.720 -15.192 727 HZ2 LYS 89 1HZ LYS 89 13.151 -6.739 -13.697 728 HZ3 LYS 89 2HZ LYS 89 12.321 -7.182 -15.101 729 H LEU 90 H LEU 90 11.807 -9.330 -8.945 730 HA LEU 90 HA LEU 90 11.810 -12.038 -8.268 731 HB2 LEU 90 2HB LEU 90 11.637 -10.222 -6.618 732 HB3 LEU 90 3HB LEU 90 10.026 -9.840 -7.197 733 HG LEU 90 HG LEU 90 9.237 -12.056 -6.427 734 HD11 LEU 90 1HD1 LEU 90 10.662 -13.451 -5.017 735 HD12 LEU 90 2HD1 LEU 90 12.022 -12.364 -5.298 736 HD13 LEU 90 3HD1 LEU 90 11.341 -13.291 -6.636 737 HD21 LEU 90 3HD2 LEU 90 9.019 -10.129 -4.947 738 HD22 LEU 90 1HD2 LEU 90 10.634 -10.430 -4.298 739 HD23 LEU 90 2HD2 LEU 90 9.341 -11.595 -4.018 740 H GLU 91 H GLU 91 10.671 -13.658 -9.123 741 HA GLU 91 HA GLU 91 9.155 -14.819 -10.338 742 HB2 GLU 91 2HB GLU 91 7.212 -12.697 -9.378 743 HB3 GLU 91 3HB GLU 91 6.749 -14.167 -10.222 744 HG2 GLU 91 2HG GLU 91 8.107 -14.028 -7.535 745 HG3 GLU 91 3HG GLU 91 6.398 -14.347 -7.817 746 H HIS 92 H HIS 92 7.459 -11.797 -10.999 747 HA HIS 92 HA HIS 92 6.913 -10.864 -13.045 748 HB2 HIS 92 2HB HIS 92 9.860 -10.493 -12.600 749 HB3 HIS 92 3HB HIS 92 9.078 -9.778 -14.007 750 HD1 HIS 92 HD1 HIS 92 7.408 -7.849 -13.590 751 HD2 HIS 92 HD2 HIS 92 9.255 -9.265 -10.146 752 HE1 HIS 92 HE1 HIS 92 6.962 -6.116 -11.832 753 HE2 HIS 92 HE2 HIS 92 7.889 -7.103 -9.710 754 H HIS 93 H HIS 93 6.772 -13.479 -13.631 755 HA HIS 93 HA HIS 93 8.565 -14.346 -15.672 756 HB2 HIS 93 2HB HIS 93 5.768 -15.344 -15.056 757 HB3 HIS 93 3HB HIS 93 6.991 -16.193 -15.999 758 HD1 HIS 93 HD1 HIS 93 8.938 -17.297 -14.687 759 HD2 HIS 93 HD2 HIS 93 6.108 -15.455 -12.275 760 HE1 HIS 93 HE1 HIS 93 9.436 -18.072 -12.358 761 HE2 HIS 93 HE2 HIS 93 7.630 -17.056 -10.939 762 H HIS 94 H HIS 94 8.693 -12.854 -17.317 763 HA HIS 94 HA HIS 94 6.370 -11.689 -18.519 764 HB2 HIS 94 2HB HIS 94 8.047 -10.812 -20.227 765 HB3 HIS 94 3HB HIS 94 8.285 -10.318 -18.557 766 HD1 HIS 94 HD1 HIS 94 9.768 -12.551 -21.204 767 HD2 HIS 94 HD2 HIS 94 10.694 -11.079 -17.428 768 HE1 HIS 94 HE1 HIS 94 12.180 -13.129 -20.828 769 HE2 HIS 94 HE2 HIS 94 12.770 -12.000 -18.664 770 H HIS 95 H HIS 95 5.396 -13.854 -18.854 771 HA HIS 95 HA HIS 95 5.591 -14.565 -21.665 772 HB2 HIS 95 2HB HIS 95 6.071 -16.553 -19.431 773 HB3 HIS 95 3HB HIS 95 5.503 -17.054 -21.016 774 HD1 HIS 95 HD1 HIS 95 7.174 -16.418 -23.054 775 HD2 HIS 95 HD2 HIS 95 8.793 -16.351 -19.227 776 HE1 HIS 95 HE1 HIS 95 9.660 -16.535 -23.375 777 HE2 HIS 95 HE2 HIS 95 10.622 -16.499 -21.053 778 H HIS 96 H HIS 96 3.713 -16.182 -22.182 779 HA HIS 96 HA HIS 96 1.308 -15.259 -20.924 780 HB2 HIS 96 2HB HIS 96 0.133 -16.865 -22.386 781 HB3 HIS 96 3HB HIS 96 1.259 -15.860 -23.286 782 HD1 HIS 96 HD1 HIS 96 1.196 -19.354 -21.752 783 HD2 HIS 96 HD2 HIS 96 2.858 -17.283 -24.949 784 HE1 HIS 96 HE1 HIS 96 2.395 -21.077 -23.120 785 HE2 HIS 96 HE2 HIS 96 3.243 -19.834 -25.127 786 H HIS 97 H HIS 97 0.425 -15.978 -19.112 787 HA HIS 97 HA HIS 97 1.592 -17.774 -17.378 788 HB2 HIS 97 2HB HIS 97 -0.035 -16.142 -16.629 789 HB3 HIS 97 3HB HIS 97 -1.313 -16.940 -17.539 790 HD1 HIS 97 HD1 HIS 97 -1.983 -19.387 -16.662 791 HD2 HIS 97 HD2 HIS 97 0.310 -17.086 -14.066 792 HE1 HIS 97 HE1 HIS 97 -2.259 -20.448 -14.403 793 HE2 HIS 97 HE2 HIS 97 -0.956 -18.976 -12.828 Start of MODEL 12 1 H1 MET 1 1H MET 1 -10.770 -14.057 -27.381 2 H2 MET 1 2H MET 1 -11.305 -15.177 -28.529 3 H3 MET 1 3H MET 1 -11.710 -15.379 -26.902 4 HA MET 1 HA MET 1 -12.584 -13.122 -28.612 5 HB2 MET 1 2HB MET 1 -14.080 -15.582 -27.665 6 HB3 MET 1 3HB MET 1 -14.847 -14.188 -28.416 7 HG2 MET 1 2HG MET 1 -14.520 -15.999 -30.010 8 HG3 MET 1 3HG MET 1 -13.591 -14.568 -30.461 9 HE1 MET 1 3HE MET 1 -13.125 -17.476 -31.679 10 HE2 MET 1 1HE MET 1 -11.366 -17.596 -31.668 11 HE3 MET 1 2HE MET 1 -12.144 -16.092 -32.162 12 H ASP 2 H ASP 2 -14.641 -12.155 -27.560 13 HA ASP 2 HA ASP 2 -15.613 -10.962 -25.906 14 HB2 ASP 2 2HB ASP 2 -14.811 -13.382 -24.280 15 HB3 ASP 2 3HB ASP 2 -15.912 -12.130 -23.711 16 H ARG 3 H ARG 3 -12.633 -10.594 -26.310 17 HA ARG 3 HA ARG 3 -11.412 -9.985 -23.865 18 HB2 ARG 3 2HB ARG 3 -9.843 -8.589 -25.097 19 HB3 ARG 3 3HB ARG 3 -10.116 -10.109 -25.926 20 HG2 ARG 3 2HG ARG 3 -11.508 -7.557 -26.715 21 HG3 ARG 3 3HG ARG 3 -9.939 -8.040 -27.363 22 HD2 ARG 3 2HD ARG 3 -11.110 -10.242 -28.004 23 HD3 ARG 3 3HD ARG 3 -12.614 -9.371 -27.715 24 HE ARG 3 HE ARG 3 -10.721 -8.131 -29.534 25 HH11 ARG 3 1HH1 ARG 3 -13.610 -9.978 -29.171 26 HH12 ARG 3 2HH1 ARG 3 -14.060 -9.783 -30.826 27 HH21 ARG 3 1HH2 ARG 3 -11.320 -7.889 -31.638 28 HH22 ARG 3 2HH2 ARG 3 -12.791 -8.606 -32.207 29 H LYS 4 H LYS 4 -13.826 -8.225 -25.650 30 HA LYS 4 HA LYS 4 -13.678 -5.758 -24.249 31 HB2 LYS 4 2HB LYS 4 -16.035 -7.164 -25.537 32 HB3 LYS 4 3HB LYS 4 -16.080 -5.513 -24.937 33 HG2 LYS 4 2HG LYS 4 -14.177 -6.447 -27.080 34 HG3 LYS 4 3HG LYS 4 -15.766 -5.762 -27.416 35 HD2 LYS 4 2HD LYS 4 -13.546 -4.369 -25.908 36 HD3 LYS 4 3HD LYS 4 -13.956 -4.092 -27.601 37 HE2 LYS 4 2HE LYS 4 -16.215 -3.368 -26.904 38 HE3 LYS 4 3HE LYS 4 -15.745 -3.584 -25.218 39 HZ1 LYS 4 3HZ LYS 4 -13.984 -1.915 -25.591 40 HZ2 LYS 4 1HZ LYS 4 -15.541 -1.293 -25.814 41 HZ3 LYS 4 2HZ LYS 4 -14.579 -1.660 -27.152 42 H LEU 5 H LEU 5 -15.596 -8.701 -23.706 43 HA LEU 5 HA LEU 5 -17.019 -7.807 -21.450 44 HB2 LEU 5 2HB LEU 5 -16.330 -10.591 -22.396 45 HB3 LEU 5 3HB LEU 5 -17.355 -10.287 -21.009 46 HG LEU 5 HG LEU 5 -18.743 -10.780 -22.911 47 HD11 LEU 5 1HD1 LEU 5 -18.839 -7.839 -22.255 48 HD12 LEU 5 2HD1 LEU 5 -19.607 -9.144 -21.352 49 HD13 LEU 5 3HD1 LEU 5 -20.143 -8.774 -22.990 50 HD21 LEU 5 3HD2 LEU 5 -17.372 -8.489 -24.327 51 HD22 LEU 5 1HD2 LEU 5 -18.755 -9.398 -24.935 52 HD23 LEU 5 2HD2 LEU 5 -17.204 -10.201 -24.708 53 H LEU 6 H LEU 6 -13.848 -9.288 -21.760 54 HA LEU 6 HA LEU 6 -13.368 -9.944 -19.083 55 HB2 LEU 6 2HB LEU 6 -11.428 -8.974 -21.185 56 HB3 LEU 6 3HB LEU 6 -10.953 -9.677 -19.650 57 HG LEU 6 HG LEU 6 -12.490 -11.093 -21.839 58 HD11 LEU 6 1HD1 LEU 6 -10.155 -10.717 -22.421 59 HD12 LEU 6 2HD1 LEU 6 -10.462 -12.425 -22.102 60 HD13 LEU 6 3HD1 LEU 6 -9.646 -11.437 -20.892 61 HD21 LEU 6 3HD2 LEU 6 -12.182 -13.107 -20.465 62 HD22 LEU 6 1HD2 LEU 6 -13.160 -11.894 -19.638 63 HD23 LEU 6 2HD2 LEU 6 -11.469 -12.121 -19.187 64 H HIS 7 H HIS 7 -13.407 -6.823 -20.647 65 HA HIS 7 HA HIS 7 -12.307 -5.495 -18.274 66 HB2 HIS 7 2HB HIS 7 -11.511 -4.753 -20.480 67 HB3 HIS 7 3HB HIS 7 -13.160 -4.358 -20.954 68 HD1 HIS 7 HD1 HIS 7 -10.383 -3.181 -18.698 69 HD2 HIS 7 HD2 HIS 7 -14.097 -1.905 -20.056 70 HE1 HIS 7 HE1 HIS 7 -10.574 -0.781 -17.986 71 HE2 HIS 7 HE2 HIS 7 -12.766 0.003 -18.931 72 H LEU 8 H LEU 8 -15.331 -6.169 -19.804 73 HA LEU 8 HA LEU 8 -16.811 -4.139 -18.341 74 HB2 LEU 8 2HB LEU 8 -17.793 -6.408 -20.081 75 HB3 LEU 8 3HB LEU 8 -18.787 -5.110 -19.444 76 HG LEU 8 HG LEU 8 -16.517 -4.758 -21.415 77 HD11 LEU 8 1HD1 LEU 8 -19.505 -4.641 -21.832 78 HD12 LEU 8 2HD1 LEU 8 -18.422 -5.908 -22.410 79 HD13 LEU 8 3HD1 LEU 8 -18.274 -4.268 -23.040 80 HD21 LEU 8 3HD2 LEU 8 -18.525 -2.769 -20.339 81 HD22 LEU 8 1HD2 LEU 8 -17.349 -2.457 -21.618 82 HD23 LEU 8 2HD2 LEU 8 -16.796 -2.805 -19.982 83 H LEU 9 H LEU 9 -15.853 -7.406 -17.859 84 HA LEU 9 HA LEU 9 -17.943 -8.143 -16.030 85 HB2 LEU 9 2HB LEU 9 -16.478 -9.700 -17.438 86 HB3 LEU 9 3HB LEU 9 -15.206 -9.407 -16.273 87 HG LEU 9 HG LEU 9 -17.887 -10.586 -15.515 88 HD11 LEU 9 1HD1 LEU 9 -15.327 -12.039 -16.193 89 HD12 LEU 9 2HD1 LEU 9 -16.813 -12.048 -17.144 90 HD13 LEU 9 3HD1 LEU 9 -16.791 -12.774 -15.536 91 HD21 LEU 9 3HD2 LEU 9 -16.665 -9.623 -13.642 92 HD22 LEU 9 1HD2 LEU 9 -15.222 -10.535 -14.087 93 HD23 LEU 9 2HD2 LEU 9 -16.667 -11.382 -13.529 94 H CYS 10 H CYS 10 -18.139 -7.008 -14.184 95 HA CYS 10 HA CYS 10 -15.878 -5.802 -12.862 96 HB2 CYS 10 2HB CYS 10 -17.542 -4.993 -11.231 97 HB3 CYS 10 3HB CYS 10 -18.047 -4.662 -12.884 98 HG CYS 10 HG CYS 10 -19.205 -7.350 -11.113 99 H SER 11 H SER 11 -14.750 -6.560 -11.161 100 HA SER 11 HA SER 11 -15.539 -9.116 -9.947 101 HB2 SER 11 2HB SER 11 -13.215 -9.154 -9.059 102 HB3 SER 11 3HB SER 11 -13.254 -9.010 -10.816 103 HG SER 11 HG SER 11 -11.760 -7.555 -9.859 104 HA PRO 12 HA PRO 12 -16.803 -7.182 -6.127 105 HB2 PRO 12 2HB PRO 12 -15.585 -9.476 -4.699 106 HB3 PRO 12 3HB PRO 12 -17.263 -8.929 -4.720 107 HG2 PRO 12 2HG PRO 12 -16.508 -11.161 -6.001 108 HG3 PRO 12 3HG PRO 12 -17.759 -10.093 -6.661 109 HD2 PRO 12 2HD PRO 12 -14.875 -10.345 -7.446 110 HD3 PRO 12 3HD PRO 12 -16.309 -10.141 -8.475 111 H ASP 13 H ASP 13 -15.424 -5.408 -5.980 112 HA ASP 13 HA ASP 13 -12.639 -5.528 -5.714 113 HB2 ASP 13 2HB ASP 13 -12.861 -3.076 -5.105 114 HB3 ASP 13 3HB ASP 13 -13.591 -3.567 -6.629 115 H THR 14 H THR 14 -14.966 -6.038 -3.264 116 HA THR 14 HA THR 14 -12.903 -5.601 -1.179 117 HB THR 14 HB THR 14 -14.711 -5.459 0.480 118 HG1 THR 14 HG1 THR 14 -16.903 -5.317 -0.339 119 HG21 THR 14 3HG2 THR 14 -13.941 -3.385 -0.600 120 HG22 THR 14 1HG2 THR 14 -15.651 -3.300 -0.179 121 HG23 THR 14 2HG2 THR 14 -15.168 -3.582 -1.851 122 H ARG 15 H ARG 15 -13.624 -8.039 -2.986 123 HA ARG 15 HA ARG 15 -13.627 -9.998 -0.786 124 HB2 ARG 15 2HB ARG 15 -15.944 -9.704 -1.734 125 HB3 ARG 15 3HB ARG 15 -15.335 -10.323 -3.260 126 HG2 ARG 15 2HG ARG 15 -14.761 -12.444 -2.167 127 HG3 ARG 15 3HG ARG 15 -15.379 -11.819 -0.637 128 HD2 ARG 15 2HD ARG 15 -17.607 -11.544 -1.707 129 HD3 ARG 15 3HD ARG 15 -16.960 -12.286 -3.171 130 HE ARG 15 HE ARG 15 -16.754 -13.827 -0.711 131 HH11 ARG 15 1HH1 ARG 15 -18.480 -13.267 -3.648 132 HH12 ARG 15 2HH1 ARG 15 -19.226 -14.829 -3.619 133 HH21 ARG 15 1HH2 ARG 15 -17.727 -15.814 -0.698 134 HH22 ARG 15 2HH2 ARG 15 -18.810 -16.242 -1.983 135 H GLN 16 H GLN 16 -11.291 -9.506 -1.765 136 HA GLN 16 HA GLN 16 -10.676 -11.677 -3.677 137 HB2 GLN 16 2HB GLN 16 -9.327 -9.062 -3.082 138 HB3 GLN 16 3HB GLN 16 -8.342 -10.409 -3.623 139 HG2 GLN 16 2HG GLN 16 -8.901 -9.002 -5.487 140 HG3 GLN 16 3HG GLN 16 -9.691 -10.564 -5.667 141 HE21 GLN 16 1HE2 GLN 16 -11.914 -10.668 -5.634 142 HE22 GLN 16 2HE2 GLN 16 -12.919 -9.266 -5.660 143 HA PRO 17 HA PRO 17 -8.509 -14.029 -0.461 144 HB2 PRO 17 2HB PRO 17 -6.405 -14.276 -2.579 145 HB3 PRO 17 3HB PRO 17 -7.143 -15.533 -1.577 146 HG2 PRO 17 2HG PRO 17 -7.856 -15.255 -4.123 147 HG3 PRO 17 3HG PRO 17 -9.069 -15.622 -2.879 148 HD2 PRO 17 2HD PRO 17 -8.499 -13.033 -4.268 149 HD3 PRO 17 3HD PRO 17 -10.053 -13.714 -3.747 150 H LEU 18 H LEU 18 -7.700 -12.747 1.108 151 HA LEU 18 HA LEU 18 -5.678 -10.709 0.413 152 HB2 LEU 18 2HB LEU 18 -7.970 -9.958 1.090 153 HB3 LEU 18 3HB LEU 18 -7.707 -10.686 2.657 154 HG LEU 18 HG LEU 18 -7.427 -8.151 2.443 155 HD11 LEU 18 1HD1 LEU 18 -6.710 -9.437 4.401 156 HD12 LEU 18 2HD1 LEU 18 -5.658 -8.063 4.075 157 HD13 LEU 18 3HD1 LEU 18 -5.135 -9.693 3.648 158 HD21 LEU 18 3HD2 LEU 18 -4.797 -8.974 1.207 159 HD22 LEU 18 1HD2 LEU 18 -5.257 -7.340 1.693 160 HD23 LEU 18 2HD2 LEU 18 -6.118 -8.146 0.381 161 H SER 19 H SER 19 -3.859 -10.440 1.695 162 HA SER 19 HA SER 19 -3.539 -12.089 4.107 163 HB2 SER 19 2HB SER 19 -2.599 -13.444 2.280 164 HB3 SER 19 3HB SER 19 -1.562 -12.098 1.805 165 HG SER 19 HG SER 19 -0.192 -12.815 3.214 166 H LEU 20 H LEU 20 -1.701 -11.413 5.457 167 HA LEU 20 HA LEU 20 -1.345 -8.588 5.576 168 HB2 LEU 20 2HB LEU 20 -1.172 -10.500 7.416 169 HB3 LEU 20 3HB LEU 20 0.520 -10.475 6.977 170 HG LEU 20 HG LEU 20 0.085 -9.118 8.972 171 HD11 LEU 20 1HD1 LEU 20 1.934 -8.432 7.557 172 HD12 LEU 20 2HD1 LEU 20 1.154 -7.029 8.290 173 HD13 LEU 20 3HD1 LEU 20 0.850 -7.423 6.597 174 HD21 LEU 20 3HD2 LEU 20 -2.220 -8.487 8.505 175 HD22 LEU 20 1HD2 LEU 20 -1.685 -7.449 7.183 176 HD23 LEU 20 2HD2 LEU 20 -1.238 -7.065 8.845 177 H LEU 21 H LEU 21 0.264 -7.310 4.748 178 HA LEU 21 HA LEU 21 1.839 -8.284 2.612 179 HB2 LEU 21 2HB LEU 21 1.035 -5.988 2.704 180 HB3 LEU 21 3HB LEU 21 2.009 -5.677 4.128 181 HG LEU 21 HG LEU 21 4.059 -5.941 2.811 182 HD11 LEU 21 1HD1 LEU 21 2.215 -6.363 0.459 183 HD12 LEU 21 2HD1 LEU 21 3.285 -7.569 1.173 184 HD13 LEU 21 3HD1 LEU 21 3.962 -6.152 0.372 185 HD21 LEU 21 3HD2 LEU 21 2.098 -4.037 1.532 186 HD22 LEU 21 1HD2 LEU 21 3.858 -3.933 1.452 187 HD23 LEU 21 2HD2 LEU 21 3.033 -3.728 2.998 188 H GLU 22 H GLU 22 3.710 -9.320 2.628 189 HA GLU 22 HA GLU 22 5.188 -10.032 4.863 190 HB2 GLU 22 2HB GLU 22 7.006 -10.611 3.237 191 HB3 GLU 22 3HB GLU 22 5.430 -11.268 2.821 192 HG2 GLU 22 2HG GLU 22 5.103 -9.615 1.124 193 HG3 GLU 22 3HG GLU 22 6.545 -8.736 1.632 194 H SER 23 H SER 23 7.241 -9.391 5.661 195 HA SER 23 HA SER 23 7.557 -6.668 6.143 196 HB2 SER 23 2HB SER 23 9.840 -7.306 7.009 197 HB3 SER 23 3HB SER 23 8.513 -8.272 7.656 198 HG SER 23 HG SER 23 10.316 -9.549 6.993 199 H LYS 24 H LYS 24 9.333 -8.704 3.813 200 HA LYS 24 HA LYS 24 11.125 -6.767 2.878 201 HB2 LYS 24 2HB LYS 24 9.972 -9.245 1.627 202 HB3 LYS 24 3HB LYS 24 10.998 -8.181 0.681 203 HG2 LYS 24 2HG LYS 24 12.290 -10.016 1.565 204 HG3 LYS 24 3HG LYS 24 12.824 -8.506 2.296 205 HD2 LYS 24 2HD LYS 24 10.750 -10.064 3.758 206 HD3 LYS 24 3HD LYS 24 12.378 -10.740 3.710 207 HE2 LYS 24 2HE LYS 24 11.718 -7.936 4.625 208 HE3 LYS 24 3HE LYS 24 11.935 -9.312 5.704 209 HZ1 LYS 24 3HZ LYS 24 14.002 -8.256 3.848 210 HZ2 LYS 24 1HZ LYS 24 14.200 -9.531 4.937 211 HZ3 LYS 24 2HZ LYS 24 13.942 -7.961 5.510 212 H GLY 25 H GLY 25 7.818 -7.484 1.808 213 HA2 GLY 25 2HA GLY 25 7.805 -5.499 -0.265 214 HA3 GLY 25 3HA GLY 25 6.403 -6.321 0.399 215 H LEU 26 H LEU 26 6.731 -5.568 3.098 216 HA LEU 26 HA LEU 26 5.220 -3.257 3.210 217 HB2 LEU 26 2HB LEU 26 5.374 -4.890 5.030 218 HB3 LEU 26 3HB LEU 26 7.026 -4.396 5.353 219 HG LEU 26 HG LEU 26 6.191 -2.132 5.982 220 HD11 LEU 26 1HD1 LEU 26 3.812 -1.788 6.361 221 HD12 LEU 26 2HD1 LEU 26 3.460 -3.390 5.715 222 HD13 LEU 26 3HD1 LEU 26 4.128 -2.142 4.662 223 HD21 LEU 26 3HD2 LEU 26 6.604 -3.832 7.695 224 HD22 LEU 26 1HD2 LEU 26 4.948 -4.417 7.522 225 HD23 LEU 26 2HD2 LEU 26 5.253 -2.792 8.140 226 H GLU 27 H GLU 27 8.735 -3.574 3.678 227 HA GLU 27 HA GLU 27 9.222 -0.865 4.284 228 HB2 GLU 27 2HB GLU 27 11.572 -1.332 3.712 229 HB3 GLU 27 3HB GLU 27 10.888 -2.571 4.756 230 HG2 GLU 27 2HG GLU 27 10.592 -4.041 2.823 231 HG3 GLU 27 3HG GLU 27 11.272 -2.798 1.773 232 H ALA 28 H ALA 28 8.935 -2.552 1.190 233 HA ALA 28 HA ALA 28 9.974 -0.510 -0.473 234 HB1 ALA 28 3HB ALA 28 7.902 -2.605 -1.143 235 HB2 ALA 28 1HB ALA 28 9.650 -2.813 -1.247 236 HB3 ALA 28 2HB ALA 28 8.835 -1.660 -2.306 237 H LEU 29 H LEU 29 6.683 -1.179 0.677 238 HA LEU 29 HA LEU 29 5.382 0.927 -0.680 239 HB2 LEU 29 2HB LEU 29 4.731 -0.644 1.800 240 HB3 LEU 29 3HB LEU 29 3.735 0.717 1.336 241 HG LEU 29 HG LEU 29 2.770 -1.405 0.576 242 HD11 LEU 29 1HD1 LEU 29 3.749 0.312 -1.705 243 HD12 LEU 29 2HD1 LEU 29 2.326 0.619 -0.706 244 HD13 LEU 29 3HD1 LEU 29 2.378 -0.800 -1.753 245 HD21 LEU 29 3HD2 LEU 29 5.269 -1.685 -1.100 246 HD22 LEU 29 1HD2 LEU 29 3.844 -2.725 -1.179 247 HD23 LEU 29 2HD2 LEU 29 4.827 -2.687 0.282 248 H ASN 30 H ASN 30 6.712 0.806 2.650 249 HA ASN 30 HA ASN 30 6.138 3.463 3.345 250 HB2 ASN 30 2HB ASN 30 8.309 1.600 4.301 251 HB3 ASN 30 3HB ASN 30 8.069 3.206 4.982 252 HD21 ASN 30 1HD2 ASN 30 6.837 -0.017 4.773 253 HD22 ASN 30 2HD2 ASN 30 5.611 0.162 5.975 254 H LYS 31 H LYS 31 8.933 2.129 1.619 255 HA LYS 31 HA LYS 31 10.446 4.498 1.436 256 HB2 LYS 31 2HB LYS 31 10.225 2.169 -0.482 257 HB3 LYS 31 3HB LYS 31 11.420 3.451 -0.633 258 HG2 LYS 31 2HG LYS 31 12.408 2.827 1.491 259 HG3 LYS 31 3HG LYS 31 11.164 1.599 1.733 260 HD2 LYS 31 2HD LYS 31 11.947 0.444 -0.313 261 HD3 LYS 31 3HD LYS 31 13.229 1.645 -0.477 262 HE2 LYS 31 2HE LYS 31 12.855 -0.264 1.835 263 HE3 LYS 31 3HE LYS 31 14.068 -0.400 0.562 264 HZ1 LYS 31 3HZ LYS 31 15.003 0.551 2.570 265 HZ2 LYS 31 1HZ LYS 31 13.874 1.812 2.537 266 HZ3 LYS 31 2HZ LYS 31 15.034 1.688 1.314 267 H ALA 32 H ALA 32 7.971 3.169 -0.757 268 HA ALA 32 HA ALA 32 7.974 5.292 -2.622 269 HB1 ALA 32 3HB ALA 32 6.984 3.098 -3.077 270 HB2 ALA 32 1HB ALA 32 5.824 4.399 -3.359 271 HB3 ALA 32 2HB ALA 32 5.717 3.421 -1.894 272 H ILE 33 H ILE 33 6.336 4.872 0.459 273 HA ILE 33 HA ILE 33 4.587 7.078 0.375 274 HB ILE 33 HB ILE 33 5.982 5.743 2.704 275 HG12 ILE 33 2HG1 ILE 33 3.111 5.605 1.732 276 HG13 ILE 33 3HG1 ILE 33 4.339 4.371 1.465 277 HG21 ILE 33 1HG2 ILE 33 4.407 6.901 4.186 278 HG22 ILE 33 2HG2 ILE 33 3.807 7.832 2.814 279 HG23 ILE 33 3HG2 ILE 33 5.474 8.030 3.352 280 HD11 ILE 33 3HD1 ILE 33 3.276 5.232 4.148 281 HD12 ILE 33 1HD1 ILE 33 4.473 3.968 3.858 282 HD13 ILE 33 2HD1 ILE 33 2.822 3.772 3.271 283 H VAL 34 H VAL 34 7.890 6.855 1.740 284 HA VAL 34 HA VAL 34 8.191 9.619 2.256 285 HB VAL 34 HB VAL 34 10.370 7.593 1.670 286 HG11 VAL 34 1HG1 VAL 34 10.481 10.248 3.116 287 HG12 VAL 34 2HG1 VAL 34 11.213 9.870 1.554 288 HG13 VAL 34 3HG1 VAL 34 11.803 9.084 3.019 289 HG21 VAL 34 3HG2 VAL 34 10.503 7.290 4.098 290 HG22 VAL 34 1HG2 VAL 34 8.913 6.839 3.484 291 HG23 VAL 34 2HG2 VAL 34 9.133 8.380 4.316 292 H SER 35 H SER 35 8.639 7.694 -0.626 293 HA SER 35 HA SER 35 10.014 9.690 -2.161 294 HB2 SER 35 2HB SER 35 10.247 7.345 -2.744 295 HB3 SER 35 3HB SER 35 8.514 7.200 -3.018 296 HG SER 35 HG SER 35 9.487 9.207 -4.522 297 H GLY 36 H GLY 36 6.779 9.386 -1.187 298 HA2 GLY 36 2HA GLY 36 4.889 10.595 -1.687 299 HA3 GLY 36 3HA GLY 36 5.944 11.728 -2.516 300 H THR 37 H THR 37 5.156 8.316 -3.202 301 HA THR 37 HA THR 37 3.963 9.172 -5.772 302 HB THR 37 HB THR 37 6.224 8.377 -6.246 303 HG1 THR 37 HG1 THR 37 4.421 6.330 -7.073 304 HG21 THR 37 3HG2 THR 37 5.353 5.774 -4.976 305 HG22 THR 37 1HG2 THR 37 6.537 6.901 -4.315 306 HG23 THR 37 2HG2 THR 37 6.877 6.049 -5.822 307 H VAL 38 H VAL 38 3.208 7.812 -2.965 308 HA VAL 38 HA VAL 38 1.756 5.475 -3.915 309 HB VAL 38 HB VAL 38 1.817 6.744 -1.165 310 HG11 VAL 38 1HG1 VAL 38 0.853 4.622 -0.377 311 HG12 VAL 38 2HG1 VAL 38 0.700 4.077 -2.049 312 HG13 VAL 38 3HG1 VAL 38 -0.229 5.466 -1.484 313 HG21 VAL 38 3HG2 VAL 38 3.273 4.320 -2.223 314 HG22 VAL 38 1HG2 VAL 38 3.294 4.891 -0.555 315 HG23 VAL 38 2HG2 VAL 38 3.999 5.879 -1.836 316 H GLN 39 H GLN 39 0.054 6.082 -5.203 317 HA GLN 39 HA GLN 39 -1.816 8.117 -4.225 318 HB2 GLN 39 2HB GLN 39 -1.711 6.662 -6.875 319 HB3 GLN 39 3HB GLN 39 -2.910 7.873 -6.446 320 HG2 GLN 39 2HG GLN 39 -0.989 9.480 -6.109 321 HG3 GLN 39 3HG GLN 39 0.047 8.260 -6.851 322 HE21 GLN 39 1HE2 GLN 39 -0.631 10.953 -7.779 323 HE22 GLN 39 2HE2 GLN 39 -1.325 10.751 -9.341 324 H ARG 40 H ARG 40 -3.782 7.686 -3.452 325 HA ARG 40 HA ARG 40 -4.737 4.901 -3.400 326 HB2 ARG 40 2HB ARG 40 -6.374 5.807 -1.681 327 HB3 ARG 40 3HB ARG 40 -4.679 5.817 -1.207 328 HG2 ARG 40 2HG ARG 40 -4.541 8.206 -1.749 329 HG3 ARG 40 3HG ARG 40 -6.244 8.197 -2.213 330 HD2 ARG 40 2HD ARG 40 -6.919 7.680 0.033 331 HD3 ARG 40 3HD ARG 40 -5.245 7.432 0.531 332 HE ARG 40 HE ARG 40 -4.941 9.869 0.063 333 HH11 ARG 40 1HH1 ARG 40 -8.092 8.643 0.762 334 HH12 ARG 40 2HH1 ARG 40 -8.619 10.128 1.475 335 HH21 ARG 40 1HH2 ARG 40 -5.641 11.765 0.948 336 HH22 ARG 40 2HH2 ARG 40 -7.249 11.880 1.577 337 H ALA 41 H ALA 41 -7.375 5.000 -3.263 338 HA ALA 41 HA ALA 41 -8.301 5.339 -5.843 339 HB1 ALA 41 3HB ALA 41 -10.557 5.133 -4.928 340 HB2 ALA 41 1HB ALA 41 -9.940 5.468 -3.311 341 HB3 ALA 41 2HB ALA 41 -9.453 3.999 -4.152 342 H ASP 42 H ASP 42 -8.375 7.671 -3.194 343 HA ASP 42 HA ASP 42 -9.976 9.652 -4.398 344 HB2 ASP 42 2HB ASP 42 -7.742 10.082 -2.401 345 HB3 ASP 42 3HB ASP 42 -9.144 11.115 -2.669 346 H GLY 43 H GLY 43 -6.861 8.648 -5.287 347 HA2 GLY 43 2HA GLY 43 -5.361 9.539 -6.824 348 HA3 GLY 43 3HA GLY 43 -6.367 10.977 -6.936 349 H SER 44 H SER 44 -5.902 10.422 -3.746 350 HA SER 44 HA SER 44 -3.973 12.570 -3.475 351 HB2 SER 44 2HB SER 44 -5.812 12.747 -1.995 352 HB3 SER 44 3HB SER 44 -5.722 11.049 -1.541 353 HG SER 44 HG SER 44 -4.086 13.201 -0.739 354 H ILE 45 H ILE 45 -2.069 12.442 -2.183 355 HA ILE 45 HA ILE 45 -0.663 9.901 -2.488 356 HB ILE 45 HB ILE 45 0.357 12.634 -1.667 357 HG12 ILE 45 2HG1 ILE 45 -0.426 12.494 -4.019 358 HG13 ILE 45 3HG1 ILE 45 1.309 12.760 -3.902 359 HG21 ILE 45 1HG2 ILE 45 1.758 10.889 -0.715 360 HG22 ILE 45 2HG2 ILE 45 2.608 11.695 -2.033 361 HG23 ILE 45 3HG2 ILE 45 1.892 10.104 -2.290 362 HD11 ILE 45 3HD1 ILE 45 1.724 10.422 -4.406 363 HD12 ILE 45 1HD1 ILE 45 0.725 11.161 -5.658 364 HD13 ILE 45 2HD1 ILE 45 -0.011 10.107 -4.451 365 H GLN 46 H GLN 46 -0.223 8.547 -0.820 366 HA GLN 46 HA GLN 46 -0.890 9.348 1.903 367 HB2 GLN 46 2HB GLN 46 -1.548 7.111 1.202 368 HB3 GLN 46 3HB GLN 46 0.118 6.712 0.801 369 HG2 GLN 46 2HG GLN 46 0.753 6.879 3.139 370 HG3 GLN 46 3HG GLN 46 -0.883 7.376 3.568 371 HE21 GLN 46 1HE2 GLN 46 1.135 4.732 2.568 372 HE22 GLN 46 2HE2 GLN 46 0.010 3.477 2.937 373 H ASN 47 H ASN 47 0.606 10.720 2.727 374 HA ASN 47 HA ASN 47 3.462 10.147 2.442 375 HB2 ASN 47 2HB ASN 47 2.089 12.473 3.818 376 HB3 ASN 47 3HB ASN 47 3.809 12.342 3.460 377 HD21 ASN 47 1HD2 ASN 47 0.667 12.989 2.187 378 HD22 ASN 47 2HD2 ASN 47 1.187 13.510 0.629 379 H GLN 48 H GLN 48 1.181 8.964 4.374 380 HA GLN 48 HA GLN 48 2.578 9.222 6.935 381 HB2 GLN 48 2HB GLN 48 -0.009 7.759 6.366 382 HB3 GLN 48 3HB GLN 48 0.621 8.242 7.935 383 HG2 GLN 48 2HG GLN 48 0.342 10.608 7.288 384 HG3 GLN 48 3HG GLN 48 -0.361 10.084 5.756 385 HE21 GLN 48 1HE2 GLN 48 -2.409 9.071 5.784 386 HE22 GLN 48 2HE2 GLN 48 -3.479 9.240 7.126 387 H SER 49 H SER 49 4.106 7.745 7.437 388 HA SER 49 HA SER 49 4.353 5.209 6.148 389 HB2 SER 49 2HB SER 49 6.116 4.753 7.821 390 HB3 SER 49 3HB SER 49 6.308 6.356 7.111 391 HG SER 49 HG SER 49 5.249 5.697 9.666 392 H LEU 50 H LEU 50 3.885 3.125 6.933 393 HA LEU 50 HA LEU 50 2.152 3.006 9.309 394 HB2 LEU 50 2HB LEU 50 0.704 1.352 7.996 395 HB3 LEU 50 3HB LEU 50 0.528 3.060 7.653 396 HG LEU 50 HG LEU 50 2.028 2.717 5.642 397 HD11 LEU 50 1HD1 LEU 50 2.207 0.420 4.758 398 HD12 LEU 50 2HD1 LEU 50 1.557 -0.199 6.278 399 HD13 LEU 50 3HD1 LEU 50 3.107 0.640 6.257 400 HD21 LEU 50 3HD2 LEU 50 -0.575 1.186 5.710 401 HD22 LEU 50 1HD2 LEU 50 0.237 1.789 4.265 402 HD23 LEU 50 2HD2 LEU 50 -0.399 2.925 5.456 403 H HIS 51 H HIS 51 1.930 0.955 10.310 404 HA HIS 51 HA HIS 51 4.278 -0.778 9.931 405 HB2 HIS 51 2HB HIS 51 2.316 -0.546 12.229 406 HB3 HIS 51 3HB HIS 51 3.642 -1.699 12.174 407 HD1 HIS 51 HD1 HIS 51 4.454 -0.495 14.395 408 HD2 HIS 51 HD2 HIS 51 4.626 1.815 10.949 409 HE1 HIS 51 HE1 HIS 51 5.929 1.453 14.965 410 HE2 HIS 51 HE2 HIS 51 6.197 2.700 12.801 411 H GLU 52 H GLU 52 0.816 -0.762 9.669 412 HA GLU 52 HA GLU 52 0.806 -3.657 9.080 413 HB2 GLU 52 2HB GLU 52 -1.320 -1.868 10.256 414 HB3 GLU 52 3HB GLU 52 -1.713 -3.427 9.552 415 HG2 GLU 52 2HG GLU 52 -1.559 -3.728 11.890 416 HG3 GLU 52 3HG GLU 52 -0.132 -4.478 11.173 417 H ALA 53 H ALA 53 0.355 -4.248 7.062 418 HA ALA 53 HA ALA 53 -1.395 -2.620 5.375 419 HB1 ALA 53 3HB ALA 53 0.876 -1.829 4.880 420 HB2 ALA 53 1HB ALA 53 0.153 -2.649 3.496 421 HB3 ALA 53 2HB ALA 53 1.361 -3.478 4.480 422 H LEU 54 H LEU 54 -2.267 -3.775 3.564 423 HA LEU 54 HA LEU 54 -2.170 -6.718 3.872 424 HB2 LEU 54 2HB LEU 54 -4.503 -4.987 3.034 425 HB3 LEU 54 3HB LEU 54 -4.525 -6.735 3.175 426 HG LEU 54 HG LEU 54 -4.082 -4.822 5.474 427 HD11 LEU 54 1HD1 LEU 54 -6.538 -6.410 4.727 428 HD12 LEU 54 2HD1 LEU 54 -6.354 -4.659 4.609 429 HD13 LEU 54 3HD1 LEU 54 -6.332 -5.442 6.187 430 HD21 LEU 54 3HD2 LEU 54 -4.370 -6.804 6.885 431 HD22 LEU 54 1HD2 LEU 54 -2.985 -6.979 5.805 432 HD23 LEU 54 2HD2 LEU 54 -4.496 -7.816 5.445 433 H ILE 55 H ILE 55 -2.070 -7.977 2.011 434 HA ILE 55 HA ILE 55 -1.785 -6.515 -0.536 435 HB ILE 55 HB ILE 55 0.437 -7.069 0.364 436 HG12 ILE 55 2HG1 ILE 55 1.315 -8.254 -1.640 437 HG13 ILE 55 3HG1 ILE 55 -0.331 -8.683 -2.090 438 HG21 ILE 55 1HG2 ILE 55 1.183 -9.387 0.559 439 HG22 ILE 55 2HG2 ILE 55 -0.438 -9.953 0.153 440 HG23 ILE 55 3HG2 ILE 55 -0.166 -9.061 1.650 441 HD11 ILE 55 3HD1 ILE 55 -0.869 -6.310 -2.345 442 HD12 ILE 55 1HD1 ILE 55 0.466 -6.802 -3.387 443 HD13 ILE 55 2HD1 ILE 55 0.790 -5.894 -1.911 444 H THR 56 H THR 56 -2.687 -7.396 -2.307 445 HA THR 56 HA THR 56 -4.368 -9.736 -2.123 446 HB THR 56 HB THR 56 -4.771 -9.343 -4.561 447 HG1 THR 56 HG1 THR 56 -3.115 -7.039 -4.222 448 HG21 THR 56 3HG2 THR 56 -5.923 -7.209 -4.298 449 HG22 THR 56 1HG2 THR 56 -4.981 -6.867 -2.847 450 HG23 THR 56 2HG2 THR 56 -6.134 -8.204 -2.856 451 H ARG 57 H ARG 57 -4.152 -11.684 -3.403 452 HA ARG 57 HA ARG 57 -1.498 -12.688 -3.475 453 HB2 ARG 57 2HB ARG 57 -2.381 -14.763 -4.070 454 HB3 ARG 57 3HB ARG 57 -3.661 -14.022 -3.129 455 HG2 ARG 57 2HG ARG 57 -3.617 -14.044 -6.145 456 HG3 ARG 57 3HG ARG 57 -4.386 -15.291 -5.169 457 HD2 ARG 57 2HD ARG 57 -5.656 -13.273 -4.093 458 HD3 ARG 57 3HD ARG 57 -5.179 -12.431 -5.567 459 HE ARG 57 HE ARG 57 -6.577 -15.006 -5.757 460 HH11 ARG 57 1HH1 ARG 57 -6.555 -11.609 -6.385 461 HH12 ARG 57 2HH1 ARG 57 -7.966 -11.690 -7.379 462 HH21 ARG 57 1HH2 ARG 57 -8.392 -15.069 -6.987 463 HH22 ARG 57 2HH2 ARG 57 -9.013 -13.617 -7.693 464 H ASP 58 H ASP 58 -3.241 -10.846 -5.726 465 HA ASP 58 HA ASP 58 -1.683 -11.679 -8.048 466 HB2 ASP 58 2HB ASP 58 -3.389 -9.213 -8.004 467 HB3 ASP 58 3HB ASP 58 -3.126 -10.368 -9.309 468 H ARG 59 H ARG 59 -1.251 -9.636 -5.429 469 HA ARG 59 HA ARG 59 0.240 -8.031 -4.858 470 HB2 ARG 59 2HB ARG 59 1.581 -8.842 -7.452 471 HB3 ARG 59 3HB ARG 59 2.296 -7.759 -6.271 472 HG2 ARG 59 2HG ARG 59 1.548 -10.633 -5.742 473 HG3 ARG 59 3HG ARG 59 3.167 -10.060 -6.147 474 HD2 ARG 59 2HD ARG 59 2.865 -8.491 -4.105 475 HD3 ARG 59 3HD ARG 59 1.565 -9.595 -3.652 476 HE ARG 59 HE ARG 59 4.112 -10.840 -4.244 477 HH11 ARG 59 1HH1 ARG 59 1.993 -9.651 -1.805 478 HH12 ARG 59 2HH1 ARG 59 2.844 -10.448 -0.530 479 HH21 ARG 59 1HH2 ARG 59 5.205 -11.828 -2.604 480 HH22 ARG 59 2HH2 ARG 59 4.656 -11.644 -0.973 481 H LYS 60 H LYS 60 -2.061 -7.441 -6.897 482 HA LYS 60 HA LYS 60 -0.967 -5.031 -8.159 483 HB2 LYS 60 2HB LYS 60 -3.093 -4.903 -9.388 484 HB3 LYS 60 3HB LYS 60 -2.296 -6.454 -9.598 485 HG2 LYS 60 2HG LYS 60 -3.827 -7.475 -7.998 486 HG3 LYS 60 3HG LYS 60 -4.609 -5.916 -7.740 487 HD2 LYS 60 2HD LYS 60 -5.971 -7.183 -9.254 488 HD3 LYS 60 3HD LYS 60 -5.206 -5.885 -10.170 489 HE2 LYS 60 2HE LYS 60 -4.128 -8.704 -10.063 490 HE3 LYS 60 3HE LYS 60 -5.260 -8.148 -11.291 491 HZ1 LYS 60 3HZ LYS 60 -2.545 -7.032 -10.813 492 HZ2 LYS 60 1HZ LYS 60 -3.633 -6.509 -11.998 493 HZ3 LYS 60 2HZ LYS 60 -2.982 -8.065 -12.073 494 H GLN 61 H GLN 61 -3.404 -5.922 -5.745 495 HA GLN 61 HA GLN 61 -3.835 -3.049 -5.200 496 HB2 GLN 61 2HB GLN 61 -5.640 -5.400 -4.585 497 HB3 GLN 61 3HB GLN 61 -5.982 -3.723 -4.180 498 HG2 GLN 61 2HG GLN 61 -6.248 -3.122 -6.451 499 HG3 GLN 61 3HG GLN 61 -5.538 -4.636 -7.012 500 HE21 GLN 61 1HE2 GLN 61 -8.384 -3.130 -5.674 501 HE22 GLN 61 2HE2 GLN 61 -9.454 -4.449 -5.972 502 H VAL 62 H VAL 62 -3.543 -2.254 -3.187 503 HA VAL 62 HA VAL 62 -2.787 -4.105 -0.998 504 HB VAL 62 HB VAL 62 -1.738 -1.302 -1.521 505 HG11 VAL 62 1HG1 VAL 62 -1.054 -3.229 0.706 506 HG12 VAL 62 2HG1 VAL 62 -1.935 -1.709 0.872 507 HG13 VAL 62 3HG1 VAL 62 -0.238 -1.696 0.390 508 HG21 VAL 62 3HG2 VAL 62 -0.312 -3.961 -1.655 509 HG22 VAL 62 1HG2 VAL 62 0.429 -2.377 -1.885 510 HG23 VAL 62 2HG2 VAL 62 -0.774 -2.964 -3.037 511 H PHE 63 H PHE 63 -3.818 -3.777 0.981 512 HA PHE 63 HA PHE 63 -5.718 -1.513 1.113 513 HB2 PHE 63 2HB PHE 63 -5.981 -4.293 2.282 514 HB3 PHE 63 3HB PHE 63 -7.080 -2.966 2.644 515 HD1 PHE 63 HD1 PHE 63 -8.612 -2.114 0.928 516 HD2 PHE 63 HD2 PHE 63 -6.040 -5.426 0.156 517 HE1 PHE 63 HE1 PHE 63 -9.950 -2.692 -1.053 518 HE2 PHE 63 HE2 PHE 63 -7.377 -6.005 -1.824 519 HZ PHE 63 HZ PHE 63 -9.332 -4.639 -2.433 520 H ARG 64 H ARG 64 -5.794 -0.265 2.938 521 HA ARG 64 HA ARG 64 -3.503 -0.504 4.736 522 HB2 ARG 64 2HB ARG 64 -3.881 1.646 3.641 523 HB3 ARG 64 3HB ARG 64 -5.493 1.745 4.335 524 HG2 ARG 64 2HG ARG 64 -4.599 1.983 6.546 525 HG3 ARG 64 3HG ARG 64 -2.961 1.664 5.972 526 HD2 ARG 64 2HD ARG 64 -3.309 4.050 6.350 527 HD3 ARG 64 3HD ARG 64 -3.016 3.716 4.645 528 HE ARG 64 HE ARG 64 -5.802 3.776 5.237 529 HH11 ARG 64 1HH1 ARG 64 -3.071 5.788 4.621 530 HH12 ARG 64 2HH1 ARG 64 -4.037 7.138 4.139 531 HH21 ARG 64 1HH2 ARG 64 -7.022 5.475 4.582 532 HH22 ARG 64 2HH2 ARG 64 -6.263 6.961 4.113 533 H ILE 65 H ILE 65 -3.620 -0.992 6.863 534 HA ILE 65 HA ILE 65 -6.217 -1.684 8.006 535 HB ILE 65 HB ILE 65 -3.399 -2.094 9.042 536 HG12 ILE 65 2HG1 ILE 65 -5.485 -3.975 7.905 537 HG13 ILE 65 3HG1 ILE 65 -3.926 -3.568 7.202 538 HG21 ILE 65 1HG2 ILE 65 -4.389 -3.428 10.851 539 HG22 ILE 65 2HG2 ILE 65 -6.003 -2.970 10.304 540 HG23 ILE 65 3HG2 ILE 65 -4.904 -1.744 10.935 541 HD11 ILE 65 3HD1 ILE 65 -2.780 -4.743 8.971 542 HD12 ILE 65 1HD1 ILE 65 -3.968 -5.798 8.213 543 HD13 ILE 65 2HD1 ILE 65 -4.312 -5.073 9.784 544 H GLU 66 H GLU 66 -7.176 -0.638 9.717 545 HA GLU 66 HA GLU 66 -5.753 1.591 10.997 546 HB2 GLU 66 2HB GLU 66 -7.024 2.546 9.104 547 HB3 GLU 66 3HB GLU 66 -8.502 1.845 9.746 548 HG2 GLU 66 2HG GLU 66 -8.310 4.238 10.233 549 HG3 GLU 66 3HG GLU 66 -8.375 3.264 11.701 550 H ASP 67 H ASP 67 -6.286 1.903 13.139 551 HA ASP 67 HA ASP 67 -6.972 1.319 15.232 552 HB2 ASP 67 2HB ASP 67 -9.117 2.246 14.312 553 HB3 ASP 67 3HB ASP 67 -9.592 0.610 13.876 554 H SER 68 H SER 68 -5.676 -0.671 13.576 555 HA SER 68 HA SER 68 -5.053 -2.856 13.589 556 HB2 SER 68 2HB SER 68 -5.099 -2.629 16.056 557 HB3 SER 68 3HB SER 68 -6.795 -3.110 16.060 558 HG SER 68 HG SER 68 -5.933 -5.030 16.305 559 H ILE 69 H ILE 69 -7.813 -1.864 12.536 560 HA ILE 69 HA ILE 69 -9.060 -4.500 12.127 561 HB ILE 69 HB ILE 69 -10.128 -1.729 11.531 562 HG12 ILE 69 2HG1 ILE 69 -10.029 -2.222 13.932 563 HG13 ILE 69 3HG1 ILE 69 -11.699 -2.174 13.375 564 HG21 ILE 69 1HG2 ILE 69 -10.994 -3.341 9.930 565 HG22 ILE 69 2HG2 ILE 69 -12.263 -2.855 11.054 566 HG23 ILE 69 3HG2 ILE 69 -11.470 -4.420 11.241 567 HD11 ILE 69 3HD1 ILE 69 -11.370 -3.992 14.928 568 HD12 ILE 69 1HD1 ILE 69 -10.070 -4.648 13.933 569 HD13 ILE 69 2HD1 ILE 69 -11.726 -4.633 13.324 570 HA PRO 70 HA PRO 70 -7.185 -4.469 8.008 571 HB2 PRO 70 2HB PRO 70 -8.523 -6.679 7.074 572 HB3 PRO 70 3HB PRO 70 -7.070 -6.760 8.073 573 HG2 PRO 70 2HG PRO 70 -9.943 -7.041 8.885 574 HG3 PRO 70 3HG PRO 70 -8.531 -7.985 9.406 575 HD2 PRO 70 2HD PRO 70 -9.583 -6.027 10.941 576 HD3 PRO 70 3HD PRO 70 -7.838 -6.358 10.906 577 H VAL 71 H VAL 71 -8.199 -2.526 7.320 578 HA VAL 71 HA VAL 71 -10.987 -2.440 6.659 579 HB VAL 71 HB VAL 71 -8.841 -0.437 5.923 580 HG11 VAL 71 1HG1 VAL 71 -11.845 -0.160 6.106 581 HG12 VAL 71 2HG1 VAL 71 -10.874 -0.125 4.634 582 HG13 VAL 71 3HG1 VAL 71 -10.715 1.166 5.824 583 HG21 VAL 71 3HG2 VAL 71 -8.864 -0.804 8.333 584 HG22 VAL 71 1HG2 VAL 71 -10.608 -0.539 8.375 585 HG23 VAL 71 2HG2 VAL 71 -9.523 0.785 7.946 586 H LEU 72 H LEU 72 -11.317 -4.064 5.101 587 HA LEU 72 HA LEU 72 -9.960 -3.921 2.545 588 HB2 LEU 72 2HB LEU 72 -12.327 -5.608 3.388 589 HB3 LEU 72 3HB LEU 72 -11.390 -5.809 1.917 590 HG LEU 72 HG LEU 72 -10.397 -6.238 4.741 591 HD11 LEU 72 1HD1 LEU 72 -10.178 -8.583 4.049 592 HD12 LEU 72 2HD1 LEU 72 -10.916 -8.187 2.494 593 HD13 LEU 72 3HD1 LEU 72 -11.848 -8.025 3.984 594 HD21 LEU 72 3HD2 LEU 72 -8.931 -6.523 2.116 595 HD22 LEU 72 1HD2 LEU 72 -8.315 -7.005 3.698 596 HD23 LEU 72 2HD2 LEU 72 -8.629 -5.305 3.356 597 H LEU 73 H LEU 73 -10.723 -1.575 2.417 598 HA LEU 73 HA LEU 73 -13.295 -1.469 0.966 599 HB2 LEU 73 2HB LEU 73 -12.132 0.606 2.831 600 HB3 LEU 73 3HB LEU 73 -13.532 0.874 1.809 601 HG LEU 73 HG LEU 73 -13.355 -1.158 4.044 602 HD11 LEU 73 1HD1 LEU 73 -14.934 0.281 5.217 603 HD12 LEU 73 2HD1 LEU 73 -14.864 1.450 3.899 604 HD13 LEU 73 3HD1 LEU 73 -13.430 1.135 4.875 605 HD21 LEU 73 3HD2 LEU 73 -15.749 -1.492 3.670 606 HD22 LEU 73 1HD2 LEU 73 -14.818 -1.915 2.234 607 HD23 LEU 73 2HD2 LEU 73 -15.699 -0.385 2.297 608 HA PRO 74 HA PRO 74 -11.024 -0.123 -2.556 609 HB2 PRO 74 2HB PRO 74 -12.878 1.648 -3.633 610 HB3 PRO 74 3HB PRO 74 -12.884 -0.102 -3.862 611 HG2 PRO 74 2HG PRO 74 -14.449 1.563 -1.927 612 HG3 PRO 74 3HG PRO 74 -14.973 0.159 -2.880 613 HD2 PRO 74 2HD PRO 74 -14.401 -0.079 -0.280 614 HD3 PRO 74 3HD PRO 74 -13.953 -1.356 -1.431 615 H GLU 75 H GLU 75 -12.432 2.390 -0.491 616 HA GLU 75 HA GLU 75 -11.014 4.601 -1.515 617 HB2 GLU 75 2HB GLU 75 -11.562 5.716 0.590 618 HB3 GLU 75 3HB GLU 75 -12.947 4.814 -0.004 619 HG2 GLU 75 2HG GLU 75 -12.332 2.972 1.568 620 HG3 GLU 75 3HG GLU 75 -11.095 4.033 2.239 621 H GLU 76 H GLU 76 -10.070 2.076 0.717 622 HA GLU 76 HA GLU 76 -7.554 3.426 1.400 623 HB2 GLU 76 2HB GLU 76 -8.660 0.776 2.375 624 HB3 GLU 76 3HB GLU 76 -7.263 1.623 3.027 625 HG2 GLU 76 2HG GLU 76 -10.102 2.644 3.087 626 HG3 GLU 76 3HG GLU 76 -9.275 1.851 4.426 627 H ALA 77 H ALA 77 -8.505 1.793 -1.192 628 HA ALA 77 HA ALA 77 -6.508 -0.297 -1.323 629 HB1 ALA 77 3HB ALA 77 -8.396 0.678 -3.467 630 HB2 ALA 77 1HB ALA 77 -8.731 -0.613 -2.313 631 HB3 ALA 77 2HB ALA 77 -7.443 -0.806 -3.504 632 H ILE 78 H ILE 78 -4.463 0.176 -1.713 633 HA ILE 78 HA ILE 78 -3.673 2.405 -3.423 634 HB ILE 78 HB ILE 78 -1.970 0.406 -1.911 635 HG12 ILE 78 2HG1 ILE 78 -3.320 1.766 -0.372 636 HG13 ILE 78 3HG1 ILE 78 -1.620 2.209 -0.262 637 HG21 ILE 78 1HG2 ILE 78 -0.741 1.374 -3.759 638 HG22 ILE 78 2HG2 ILE 78 -0.145 2.046 -2.241 639 HG23 ILE 78 3HG2 ILE 78 -1.216 3.000 -3.268 640 HD11 ILE 78 3HD1 ILE 78 -2.042 4.178 -1.638 641 HD12 ILE 78 1HD1 ILE 78 -3.058 4.166 -0.198 642 HD13 ILE 78 2HD1 ILE 78 -3.745 3.731 -1.762 643 H ALA 79 H ALA 79 -2.986 2.178 -5.495 644 HA ALA 79 HA ALA 79 -2.935 -0.475 -6.702 645 HB1 ALA 79 3HB ALA 79 -2.557 2.233 -7.992 646 HB2 ALA 79 1HB ALA 79 -4.091 1.372 -7.845 647 HB3 ALA 79 2HB ALA 79 -2.793 0.695 -8.827 648 H THR 80 H THR 80 -1.099 -1.635 -6.780 649 HA THR 80 HA THR 80 1.393 -0.657 -5.908 650 HB THR 80 HB THR 80 2.363 -2.787 -6.666 651 HG1 THR 80 HG1 THR 80 0.679 -4.307 -7.556 652 HG21 THR 80 3HG2 THR 80 0.967 -4.275 -5.294 653 HG22 THR 80 1HG2 THR 80 -0.332 -3.083 -5.323 654 HG23 THR 80 2HG2 THR 80 1.194 -2.708 -4.520 655 H ILE 81 H ILE 81 -0.010 -0.569 -9.060 656 HA ILE 81 HA ILE 81 2.295 -0.426 -10.663 657 HB ILE 81 HB ILE 81 0.030 -0.675 -11.594 658 HG12 ILE 81 2HG1 ILE 81 0.265 0.915 -13.503 659 HG13 ILE 81 3HG1 ILE 81 1.503 1.781 -12.599 660 HG21 ILE 81 1HG2 ILE 81 -0.358 2.217 -10.817 661 HG22 ILE 81 2HG2 ILE 81 -1.177 0.825 -10.110 662 HG23 ILE 81 3HG2 ILE 81 -1.469 1.255 -11.796 663 HD11 ILE 81 3HD1 ILE 81 1.662 -1.070 -13.556 664 HD12 ILE 81 1HD1 ILE 81 2.899 -0.235 -12.616 665 HD13 ILE 81 2HD1 ILE 81 2.503 0.321 -14.243 666 H GLN 82 H GLN 82 0.907 1.871 -8.474 667 HA GLN 82 HA GLN 82 2.296 4.183 -9.505 668 HB2 GLN 82 2HB GLN 82 0.949 3.791 -6.819 669 HB3 GLN 82 3HB GLN 82 1.409 5.329 -7.541 670 HG2 GLN 82 2HG GLN 82 -0.600 3.441 -8.757 671 HG3 GLN 82 3HG GLN 82 -1.023 4.767 -7.679 672 HE21 GLN 82 1HE2 GLN 82 -2.273 5.723 -9.289 673 HE22 GLN 82 2HE2 GLN 82 -1.555 6.576 -10.606 674 H ILE 83 H ILE 83 3.175 1.529 -7.579 675 HA ILE 83 HA ILE 83 5.116 2.954 -5.937 676 HB ILE 83 HB ILE 83 4.633 -0.031 -6.102 677 HG12 ILE 83 2HG1 ILE 83 2.567 1.087 -5.439 678 HG13 ILE 83 3HG1 ILE 83 3.266 0.261 -4.054 679 HG21 ILE 83 1HG2 ILE 83 5.695 -0.074 -3.875 680 HG22 ILE 83 2HG2 ILE 83 6.029 1.653 -4.016 681 HG23 ILE 83 3HG2 ILE 83 6.787 0.513 -5.130 682 HD11 ILE 83 3HD1 ILE 83 2.387 2.427 -3.428 683 HD12 ILE 83 1HD1 ILE 83 3.424 3.215 -4.617 684 HD13 ILE 83 2HD1 ILE 83 4.138 2.393 -3.230 685 H ALA 84 H ALA 84 6.695 3.695 -7.338 686 HA ALA 84 HA ALA 84 7.868 2.159 -9.420 687 HB1 ALA 84 3HB ALA 84 8.958 4.620 -8.047 688 HB2 ALA 84 1HB ALA 84 7.846 4.609 -9.417 689 HB3 ALA 84 2HB ALA 84 9.481 3.977 -9.606 690 H ASN 85 H ASN 85 8.111 1.439 -6.284 691 HA ASN 85 HA ASN 85 10.895 0.478 -6.516 692 HB2 ASN 85 2HB ASN 85 9.453 1.299 -3.979 693 HB3 ASN 85 3HB ASN 85 11.102 0.682 -4.077 694 HD21 ASN 85 1HD2 ASN 85 9.034 3.403 -4.638 695 HD22 ASN 85 2HD2 ASN 85 10.281 4.547 -4.962 696 H PHE 86 H PHE 86 7.967 -0.654 -6.907 697 HA PHE 86 HA PHE 86 7.738 -2.819 -5.099 698 HB2 PHE 86 2HB PHE 86 5.985 -1.755 -6.749 699 HB3 PHE 86 3HB PHE 86 6.618 -2.936 -7.891 700 HD1 PHE 86 HD1 PHE 86 5.104 -2.577 -4.541 701 HD2 PHE 86 HD2 PHE 86 5.864 -5.176 -7.826 702 HE1 PHE 86 HE1 PHE 86 3.628 -4.276 -3.536 703 HE2 PHE 86 HE2 PHE 86 4.392 -6.880 -6.826 704 HZ PHE 86 HZ PHE 86 3.271 -6.429 -4.679 705 HA PRO 87 HA PRO 87 10.983 -5.341 -6.756 706 HB2 PRO 87 2HB PRO 87 10.535 -7.632 -5.399 707 HB3 PRO 87 3HB PRO 87 11.142 -6.168 -4.616 708 HG2 PRO 87 2HG PRO 87 8.347 -7.252 -4.693 709 HG3 PRO 87 3HG PRO 87 9.245 -6.569 -3.325 710 HD2 PRO 87 2HD PRO 87 7.406 -5.150 -4.768 711 HD3 PRO 87 3HD PRO 87 8.789 -4.398 -3.947 712 H ASP 88 H ASP 88 9.601 -5.211 -8.885 713 HA ASP 88 HA ASP 88 8.759 -7.904 -9.695 714 HB2 ASP 88 2HB ASP 88 8.543 -5.175 -10.912 715 HB3 ASP 88 3HB ASP 88 8.590 -6.556 -12.001 716 H LYS 89 H LYS 89 9.679 -8.661 -11.895 717 HA LYS 89 HA LYS 89 12.446 -9.028 -11.759 718 HB2 LYS 89 2HB LYS 89 10.517 -9.296 -14.061 719 HB3 LYS 89 3HB LYS 89 12.221 -9.686 -14.224 720 HG2 LYS 89 2HG LYS 89 11.994 -11.397 -12.478 721 HG3 LYS 89 3HG LYS 89 10.276 -11.005 -12.333 722 HD2 LYS 89 2HD LYS 89 9.870 -11.707 -14.606 723 HD3 LYS 89 3HD LYS 89 11.596 -11.926 -14.894 724 HE2 LYS 89 2HE LYS 89 10.464 -14.067 -14.538 725 HE3 LYS 89 3HE LYS 89 11.650 -13.744 -13.273 726 HZ1 LYS 89 3HZ LYS 89 9.429 -14.637 -12.538 727 HZ2 LYS 89 1HZ LYS 89 8.774 -13.135 -12.940 728 HZ3 LYS 89 2HZ LYS 89 9.965 -13.247 -11.739 729 H LEU 90 H LEU 90 14.031 -8.407 -13.510 730 HA LEU 90 HA LEU 90 13.894 -5.484 -13.819 731 HB2 LEU 90 2HB LEU 90 16.348 -5.567 -14.114 732 HB3 LEU 90 3HB LEU 90 15.807 -6.166 -12.561 733 HG LEU 90 HG LEU 90 16.446 -8.067 -14.811 734 HD11 LEU 90 1HD1 LEU 90 18.707 -8.276 -13.931 735 HD12 LEU 90 2HD1 LEU 90 18.398 -6.976 -12.780 736 HD13 LEU 90 3HD1 LEU 90 18.410 -6.638 -14.510 737 HD21 LEU 90 3HD2 LEU 90 16.476 -8.353 -11.801 738 HD22 LEU 90 1HD2 LEU 90 16.881 -9.616 -12.964 739 HD23 LEU 90 2HD2 LEU 90 15.240 -8.978 -12.890 740 H GLU 91 H GLU 91 12.647 -7.491 -15.642 741 HA GLU 91 HA GLU 91 14.022 -6.809 -18.148 742 HB2 GLU 91 2HB GLU 91 12.191 -8.384 -19.123 743 HB3 GLU 91 3HB GLU 91 13.548 -9.072 -18.248 744 HG2 GLU 91 2HG GLU 91 11.474 -10.175 -17.650 745 HG3 GLU 91 3HG GLU 91 12.166 -9.340 -16.263 746 H HIS 92 H HIS 92 11.670 -5.515 -16.212 747 HA HIS 92 HA HIS 92 9.950 -4.477 -18.310 748 HB2 HIS 92 2HB HIS 92 10.086 -3.986 -15.332 749 HB3 HIS 92 3HB HIS 92 8.991 -3.100 -16.383 750 HD1 HIS 92 HD1 HIS 92 8.885 -5.768 -14.139 751 HD2 HIS 92 HD2 HIS 92 7.401 -5.230 -17.979 752 HE1 HIS 92 HE1 HIS 92 6.970 -7.368 -14.347 753 HE2 HIS 92 HE2 HIS 92 6.212 -7.154 -16.728 754 H HIS 93 H HIS 93 10.689 -2.863 -19.597 755 HA HIS 93 HA HIS 93 12.557 -0.875 -18.634 756 HB2 HIS 93 2HB HIS 93 11.096 -1.248 -21.245 757 HB3 HIS 93 3HB HIS 93 11.981 0.234 -20.902 758 HD1 HIS 93 HD1 HIS 93 12.442 -3.000 -22.379 759 HD2 HIS 93 HD2 HIS 93 14.829 -0.398 -20.187 760 HE1 HIS 93 HE1 HIS 93 14.804 -3.714 -22.832 761 HE2 HIS 93 HE2 HIS 93 16.234 -2.065 -21.578 762 H HIS 94 H HIS 94 11.982 0.754 -17.386 763 HA HIS 94 HA HIS 94 9.207 1.764 -17.474 764 HB2 HIS 94 2HB HIS 94 9.258 1.839 -14.975 765 HB3 HIS 94 3HB HIS 94 9.329 0.206 -15.630 766 HD1 HIS 94 HD1 HIS 94 11.678 -1.015 -15.486 767 HD2 HIS 94 HD2 HIS 94 11.427 2.578 -13.412 768 HE1 HIS 94 HE1 HIS 94 13.650 -0.991 -13.942 769 HE2 HIS 94 HE2 HIS 94 13.380 1.100 -12.581 770 H HIS 95 H HIS 95 11.599 2.959 -18.608 771 HA HIS 95 HA HIS 95 12.583 4.988 -16.855 772 HB2 HIS 95 2HB HIS 95 13.872 4.104 -18.789 773 HB3 HIS 95 3HB HIS 95 12.731 4.882 -19.878 774 HD1 HIS 95 HD1 HIS 95 15.509 5.651 -17.477 775 HD2 HIS 95 HD2 HIS 95 13.084 7.633 -20.208 776 HE1 HIS 95 HE1 HIS 95 16.512 7.937 -17.733 777 HE2 HIS 95 HE2 HIS 95 14.926 9.169 -19.246 778 H HIS 96 H HIS 96 10.708 6.011 -16.048 779 HA HIS 96 HA HIS 96 9.037 7.580 -17.834 780 HB2 HIS 96 2HB HIS 96 7.996 6.644 -15.851 781 HB3 HIS 96 3HB HIS 96 9.189 7.411 -14.810 782 HD1 HIS 96 HD1 HIS 96 8.925 9.960 -14.386 783 HD2 HIS 96 HD2 HIS 96 5.885 8.286 -16.669 784 HE1 HIS 96 HE1 HIS 96 7.083 11.664 -14.404 785 HE2 HIS 96 HE2 HIS 96 5.332 10.704 -15.932 786 H HIS 97 H HIS 97 9.886 9.361 -18.731 787 HA HIS 97 HA HIS 97 10.939 11.346 -19.021 788 HB2 HIS 97 2HB HIS 97 9.976 12.218 -17.007 789 HB3 HIS 97 3HB HIS 97 11.109 11.326 -16.001 790 HD1 HIS 97 HD1 HIS 97 13.546 12.241 -15.869 791 HD2 HIS 97 HD2 HIS 97 10.922 14.649 -18.005 792 HE1 HIS 97 HE1 HIS 97 14.708 14.447 -16.109 793 HE2 HIS 97 HE2 HIS 97 13.033 15.934 -17.245 Start of MODEL 13 1 H1 MET 1 1H MET 1 -12.720 -22.833 14.133 2 H2 MET 1 2H MET 1 -14.101 -22.330 14.966 3 H3 MET 1 3H MET 1 -12.903 -21.207 14.573 4 HA MET 1 HA MET 1 -14.555 -22.701 12.618 5 HB2 MET 1 2HB MET 1 -14.727 -19.808 13.509 6 HB3 MET 1 3HB MET 1 -15.632 -20.502 12.173 7 HG2 MET 1 2HG MET 1 -16.720 -22.053 13.749 8 HG3 MET 1 3HG MET 1 -15.858 -21.276 15.076 9 HE1 MET 1 3HE MET 1 -16.281 -18.759 15.845 10 HE2 MET 1 1HE MET 1 -17.401 -17.667 15.031 11 HE3 MET 1 2HE MET 1 -15.938 -18.203 14.206 12 H ASP 2 H ASP 2 -11.543 -22.068 12.907 13 HA ASP 2 HA ASP 2 -10.926 -20.129 10.907 14 HB2 ASP 2 2HB ASP 2 -9.223 -22.261 12.226 15 HB3 ASP 2 3HB ASP 2 -8.594 -21.031 11.134 16 H ARG 3 H ARG 3 -12.253 -20.926 9.126 17 HA ARG 3 HA ARG 3 -11.502 -23.416 7.841 18 HB2 ARG 3 2HB ARG 3 -13.420 -21.209 7.063 19 HB3 ARG 3 3HB ARG 3 -13.148 -22.644 6.080 20 HG2 ARG 3 2HG ARG 3 -14.115 -22.704 8.941 21 HG3 ARG 3 3HG ARG 3 -15.169 -22.769 7.528 22 HD2 ARG 3 2HD ARG 3 -14.147 -24.842 6.806 23 HD3 ARG 3 3HD ARG 3 -12.968 -24.756 8.114 24 HE ARG 3 HE ARG 3 -14.821 -25.098 9.666 25 HH11 ARG 3 1HH1 ARG 3 -15.461 -25.798 6.355 26 HH12 ARG 3 2HH1 ARG 3 -16.690 -26.957 6.726 27 HH21 ARG 3 1HH2 ARG 3 -16.392 -26.595 10.121 28 HH22 ARG 3 2HH2 ARG 3 -17.200 -27.409 8.826 29 H LYS 4 H LYS 4 -10.875 -19.980 7.379 30 HA LYS 4 HA LYS 4 -9.650 -20.233 4.814 31 HB2 LYS 4 2HB LYS 4 -9.380 -18.048 6.892 32 HB3 LYS 4 3HB LYS 4 -8.807 -17.935 5.236 33 HG2 LYS 4 2HG LYS 4 -11.705 -18.412 5.907 34 HG3 LYS 4 3HG LYS 4 -11.012 -16.797 5.787 35 HD2 LYS 4 2HD LYS 4 -11.992 -17.232 3.679 36 HD3 LYS 4 3HD LYS 4 -10.259 -17.432 3.444 37 HE2 LYS 4 2HE LYS 4 -10.521 -19.864 3.594 38 HE3 LYS 4 3HE LYS 4 -12.250 -19.668 3.862 39 HZ1 LYS 4 3HZ LYS 4 -12.435 -18.682 1.664 40 HZ2 LYS 4 1HZ LYS 4 -11.763 -20.232 1.575 41 HZ3 LYS 4 2HZ LYS 4 -10.771 -18.872 1.410 42 H LEU 5 H LEU 5 -8.514 -20.801 8.024 43 HA LEU 5 HA LEU 5 -5.714 -20.492 7.401 44 HB2 LEU 5 2HB LEU 5 -7.188 -21.526 9.815 45 HB3 LEU 5 3HB LEU 5 -5.442 -21.612 9.695 46 HG LEU 5 HG LEU 5 -6.097 -19.689 11.025 47 HD11 LEU 5 1HD1 LEU 5 -5.022 -18.878 8.325 48 HD12 LEU 5 2HD1 LEU 5 -4.084 -19.478 9.693 49 HD13 LEU 5 3HD1 LEU 5 -4.911 -17.927 9.806 50 HD21 LEU 5 3HD2 LEU 5 -7.606 -18.743 8.585 51 HD22 LEU 5 1HD2 LEU 5 -7.356 -17.821 10.068 52 HD23 LEU 5 2HD2 LEU 5 -8.318 -19.298 10.101 53 H LEU 6 H LEU 6 -7.897 -23.260 7.951 54 HA LEU 6 HA LEU 6 -5.892 -25.249 7.668 55 HB2 LEU 6 2HB LEU 6 -8.886 -25.455 7.274 56 HB3 LEU 6 3HB LEU 6 -7.791 -26.820 7.417 57 HG LEU 6 HG LEU 6 -8.347 -24.774 9.579 58 HD11 LEU 6 1HD1 LEU 6 -9.180 -27.668 9.342 59 HD12 LEU 6 2HD1 LEU 6 -10.238 -26.261 9.206 60 HD13 LEU 6 3HD1 LEU 6 -9.449 -26.627 10.742 61 HD21 LEU 6 3HD2 LEU 6 -6.055 -25.604 9.696 62 HD22 LEU 6 1HD2 LEU 6 -6.638 -27.267 9.645 63 HD23 LEU 6 2HD2 LEU 6 -7.018 -26.240 11.026 64 H HIS 7 H HIS 7 -4.717 -25.488 5.848 65 HA HIS 7 HA HIS 7 -5.587 -24.558 3.307 66 HB2 HIS 7 2HB HIS 7 -3.479 -25.192 2.469 67 HB3 HIS 7 3HB HIS 7 -3.179 -24.741 4.141 68 HD1 HIS 7 HD1 HIS 7 -2.210 -27.182 1.813 69 HD2 HIS 7 HD2 HIS 7 -3.298 -27.345 5.816 70 HE1 HIS 7 HE1 HIS 7 -1.244 -29.324 2.685 71 HE2 HIS 7 HE2 HIS 7 -2.051 -29.478 5.057 72 H LEU 8 H LEU 8 -6.676 -27.205 4.855 73 HA LEU 8 HA LEU 8 -6.757 -29.088 2.685 74 HB2 LEU 8 2HB LEU 8 -8.321 -28.970 5.273 75 HB3 LEU 8 3HB LEU 8 -8.436 -30.279 4.112 76 HG LEU 8 HG LEU 8 -5.947 -30.663 4.471 77 HD11 LEU 8 1HD1 LEU 8 -4.963 -29.831 6.541 78 HD12 LEU 8 2HD1 LEU 8 -6.407 -28.865 6.849 79 HD13 LEU 8 3HD1 LEU 8 -5.384 -28.506 5.458 80 HD21 LEU 8 3HD2 LEU 8 -6.297 -31.932 6.530 81 HD22 LEU 8 1HD2 LEU 8 -7.662 -32.109 5.432 82 HD23 LEU 8 2HD2 LEU 8 -7.792 -31.048 6.832 83 H LEU 9 H LEU 9 -8.691 -26.378 3.698 84 HA LEU 9 HA LEU 9 -10.578 -26.903 1.498 85 HB2 LEU 9 2HB LEU 9 -11.387 -27.532 3.915 86 HB3 LEU 9 3HB LEU 9 -11.596 -25.804 4.099 87 HG LEU 9 HG LEU 9 -12.962 -27.502 1.997 88 HD11 LEU 9 1HD1 LEU 9 -13.773 -28.030 4.224 89 HD12 LEU 9 2HD1 LEU 9 -14.993 -27.135 3.318 90 HD13 LEU 9 3HD1 LEU 9 -14.039 -26.315 4.553 91 HD21 LEU 9 3HD2 LEU 9 -14.338 -25.528 1.584 92 HD22 LEU 9 1HD2 LEU 9 -12.638 -25.195 1.257 93 HD23 LEU 9 2HD2 LEU 9 -13.382 -24.607 2.745 94 H CYS 10 H CYS 10 -9.751 -25.274 0.209 95 HA CYS 10 HA CYS 10 -9.801 -22.525 1.305 96 HB2 CYS 10 2HB CYS 10 -8.043 -21.950 -0.299 97 HB3 CYS 10 3HB CYS 10 -7.531 -23.277 0.741 98 HG CYS 10 HG CYS 10 -6.611 -24.515 -1.311 99 H SER 11 H SER 11 -9.967 -20.839 -0.541 100 HA SER 11 HA SER 11 -12.173 -21.629 -2.332 101 HB2 SER 11 2HB SER 11 -12.737 -19.232 -2.447 102 HB3 SER 11 3HB SER 11 -12.703 -19.793 -0.775 103 HG SER 11 HG SER 11 -10.811 -18.192 -2.151 104 HA PRO 12 HA PRO 12 -9.131 -21.294 -5.687 105 HB2 PRO 12 2HB PRO 12 -11.599 -21.682 -7.306 106 HB3 PRO 12 3HB PRO 12 -10.075 -22.577 -7.341 107 HG2 PRO 12 2HG PRO 12 -12.249 -23.663 -6.260 108 HG3 PRO 12 3HG PRO 12 -10.655 -23.898 -5.511 109 HD2 PRO 12 2HD PRO 12 -12.860 -22.013 -4.719 110 HD3 PRO 12 3HD PRO 12 -11.835 -23.039 -3.692 111 H ASP 13 H ASP 13 -9.596 -20.234 -8.081 112 HA ASP 13 HA ASP 13 -9.231 -17.526 -7.642 113 HB2 ASP 13 2HB ASP 13 -10.116 -18.806 -10.233 114 HB3 ASP 13 3HB ASP 13 -9.258 -17.276 -10.053 115 H THR 14 H THR 14 -12.270 -19.180 -8.046 116 HA THR 14 HA THR 14 -13.874 -17.067 -9.002 117 HB THR 14 HB THR 14 -15.806 -18.259 -8.082 118 HG1 THR 14 HG1 THR 14 -15.614 -19.588 -6.432 119 HG21 THR 14 3HG2 THR 14 -14.828 -19.121 -10.156 120 HG22 THR 14 1HG2 THR 14 -15.482 -20.439 -9.183 121 HG23 THR 14 2HG2 THR 14 -13.740 -20.155 -9.228 122 H ARG 15 H ARG 15 -12.709 -17.830 -5.778 123 HA ARG 15 HA ARG 15 -13.747 -15.217 -4.872 124 HB2 ARG 15 2HB ARG 15 -14.949 -16.948 -3.673 125 HB3 ARG 15 3HB ARG 15 -13.450 -17.760 -3.251 126 HG2 ARG 15 2HG ARG 15 -12.802 -15.892 -1.831 127 HG3 ARG 15 3HG ARG 15 -14.260 -15.011 -2.295 128 HD2 ARG 15 2HD ARG 15 -14.264 -17.691 -0.897 129 HD3 ARG 15 3HD ARG 15 -14.398 -16.143 -0.066 130 HE ARG 15 HE ARG 15 -16.381 -16.170 -1.985 131 HH11 ARG 15 1HH1 ARG 15 -15.541 -18.006 0.803 132 HH12 ARG 15 2HH1 ARG 15 -17.181 -18.427 1.154 133 HH21 ARG 15 1HH2 ARG 15 -18.479 -16.684 -1.518 134 HH22 ARG 15 2HH2 ARG 15 -18.835 -17.668 -0.139 135 H GLN 16 H GLN 16 -11.857 -14.179 -5.499 136 HA GLN 16 HA GLN 16 -9.240 -14.927 -4.999 137 HB2 GLN 16 2HB GLN 16 -8.663 -12.532 -5.261 138 HB3 GLN 16 3HB GLN 16 -9.743 -13.121 -6.512 139 HG2 GLN 16 2HG GLN 16 -10.695 -11.590 -4.097 140 HG3 GLN 16 3HG GLN 16 -10.236 -10.823 -5.613 141 HE21 GLN 16 1HE2 GLN 16 -12.816 -10.959 -4.193 142 HE22 GLN 16 2HE2 GLN 16 -13.938 -11.579 -5.349 143 HA PRO 17 HA PRO 17 -9.158 -14.345 -0.540 144 HB2 PRO 17 2HB PRO 17 -6.925 -15.725 -0.036 145 HB3 PRO 17 3HB PRO 17 -8.402 -16.541 -0.564 146 HG2 PRO 17 2HG PRO 17 -5.966 -15.817 -2.148 147 HG3 PRO 17 3HG PRO 17 -6.935 -17.300 -2.205 148 HD2 PRO 17 2HD PRO 17 -7.158 -15.179 -3.988 149 HD3 PRO 17 3HD PRO 17 -8.413 -16.399 -3.698 150 H LEU 18 H LEU 18 -8.224 -12.905 0.841 151 HA LEU 18 HA LEU 18 -6.072 -11.180 -0.135 152 HB2 LEU 18 2HB LEU 18 -7.821 -11.016 2.332 153 HB3 LEU 18 3HB LEU 18 -6.597 -9.835 1.906 154 HG LEU 18 HG LEU 18 -9.042 -10.454 0.234 155 HD11 LEU 18 1HD1 LEU 18 -9.650 -9.400 2.356 156 HD12 LEU 18 2HD1 LEU 18 -9.891 -8.298 1.002 157 HD13 LEU 18 3HD1 LEU 18 -8.487 -8.108 2.052 158 HD21 LEU 18 3HD2 LEU 18 -7.005 -8.232 -0.004 159 HD22 LEU 18 1HD2 LEU 18 -8.425 -8.463 -1.024 160 HD23 LEU 18 2HD2 LEU 18 -7.110 -9.641 -1.064 161 H SER 19 H SER 19 -4.367 -10.539 1.496 162 HA SER 19 HA SER 19 -3.726 -12.502 3.549 163 HB2 SER 19 2HB SER 19 -1.878 -12.035 1.185 164 HB3 SER 19 3HB SER 19 -1.438 -12.915 2.647 165 HG SER 19 HG SER 19 -3.721 -13.927 1.689 166 H LEU 20 H LEU 20 -1.676 -11.859 4.738 167 HA LEU 20 HA LEU 20 -1.698 -9.006 5.237 168 HB2 LEU 20 2HB LEU 20 -1.490 -10.935 6.966 169 HB3 LEU 20 3HB LEU 20 0.191 -11.005 6.484 170 HG LEU 20 HG LEU 20 -0.186 -9.733 8.577 171 HD11 LEU 20 1HD1 LEU 20 1.777 -9.242 7.213 172 HD12 LEU 20 2HD1 LEU 20 1.186 -7.801 8.038 173 HD13 LEU 20 3HD1 LEU 20 0.859 -8.028 6.318 174 HD21 LEU 20 3HD2 LEU 20 -2.375 -8.793 8.063 175 HD22 LEU 20 1HD2 LEU 20 -1.661 -7.777 6.811 176 HD23 LEU 20 2HD2 LEU 20 -1.230 -7.526 8.505 177 H LEU 21 H LEU 21 -0.316 -7.565 4.365 178 HA LEU 21 HA LEU 21 1.418 -8.298 2.266 179 HB2 LEU 21 2HB LEU 21 0.352 -6.114 2.331 180 HB3 LEU 21 3HB LEU 21 1.232 -5.695 3.790 181 HG LEU 21 HG LEU 21 3.352 -5.740 2.542 182 HD11 LEU 21 1HD1 LEU 21 3.372 -5.936 0.109 183 HD12 LEU 21 2HD1 LEU 21 1.644 -6.283 0.112 184 HD13 LEU 21 3HD1 LEU 21 2.771 -7.413 0.858 185 HD21 LEU 21 3HD2 LEU 21 2.980 -3.736 1.189 186 HD22 LEU 21 1HD2 LEU 21 2.135 -3.637 2.732 187 HD23 LEU 21 2HD2 LEU 21 1.239 -4.006 1.259 188 H GLU 22 H GLU 22 3.278 -9.286 2.436 189 HA GLU 22 HA GLU 22 4.840 -9.682 4.667 190 HB2 GLU 22 2HB GLU 22 5.069 -10.992 2.626 191 HB3 GLU 22 3HB GLU 22 5.683 -9.591 1.760 192 HG2 GLU 22 2HG GLU 22 7.691 -9.587 3.114 193 HG3 GLU 22 3HG GLU 22 7.065 -10.909 4.098 194 H SER 23 H SER 23 6.022 -8.364 5.895 195 HA SER 23 HA SER 23 6.376 -5.651 5.510 196 HB2 SER 23 2HB SER 23 8.173 -5.819 7.278 197 HB3 SER 23 3HB SER 23 6.636 -6.570 7.705 198 HG SER 23 HG SER 23 7.710 -8.331 7.993 199 H LYS 24 H LYS 24 8.481 -8.261 4.452 200 HA LYS 24 HA LYS 24 10.738 -6.874 3.637 201 HB2 LYS 24 2HB LYS 24 9.314 -9.220 2.372 202 HB3 LYS 24 3HB LYS 24 10.867 -8.631 1.795 203 HG2 LYS 24 2HG LYS 24 10.395 -9.530 4.633 204 HG3 LYS 24 3HG LYS 24 10.946 -10.607 3.349 205 HD2 LYS 24 2HD LYS 24 12.365 -8.103 4.287 206 HD3 LYS 24 3HD LYS 24 12.829 -9.762 4.673 207 HE2 LYS 24 2HE LYS 24 12.781 -8.502 1.924 208 HE3 LYS 24 3HE LYS 24 14.214 -8.898 2.870 209 HZ1 LYS 24 3HZ LYS 24 13.565 -11.249 2.751 210 HZ2 LYS 24 1HZ LYS 24 13.820 -10.585 1.216 211 HZ3 LYS 24 2HZ LYS 24 12.244 -10.840 1.775 212 H GLY 25 H GLY 25 7.756 -7.432 1.749 213 HA2 GLY 25 2HA GLY 25 8.530 -5.661 -0.383 214 HA3 GLY 25 3HA GLY 25 6.945 -6.374 -0.141 215 H LEU 26 H LEU 26 6.765 -5.316 2.611 216 HA LEU 26 HA LEU 26 5.279 -3.019 2.082 217 HB2 LEU 26 2HB LEU 26 4.927 -4.417 4.049 218 HB3 LEU 26 3HB LEU 26 6.484 -3.931 4.692 219 HG LEU 26 HG LEU 26 5.668 -1.610 4.909 220 HD11 LEU 26 1HD1 LEU 26 3.015 -2.738 4.010 221 HD12 LEU 26 2HD1 LEU 26 4.028 -1.612 3.103 222 HD13 LEU 26 3HD1 LEU 26 3.295 -1.106 4.626 223 HD21 LEU 26 3HD2 LEU 26 5.503 -3.135 6.805 224 HD22 LEU 26 1HD2 LEU 26 3.917 -3.674 6.251 225 HD23 LEU 26 2HD2 LEU 26 4.147 -2.010 6.787 226 H GLU 27 H GLU 27 8.694 -3.302 2.995 227 HA GLU 27 HA GLU 27 9.218 -0.664 3.715 228 HB2 GLU 27 2HB GLU 27 11.519 -1.031 3.116 229 HB3 GLU 27 3HB GLU 27 10.891 -2.527 3.794 230 HG2 GLU 27 2HG GLU 27 10.797 -3.565 1.674 231 HG3 GLU 27 3HG GLU 27 11.016 -2.036 0.829 232 H ALA 28 H ALA 28 8.726 -2.054 0.527 233 HA ALA 28 HA ALA 28 9.607 0.058 -1.090 234 HB1 ALA 28 3HB ALA 28 7.325 -1.852 -1.615 235 HB2 ALA 28 1HB ALA 28 9.027 -2.165 -1.951 236 HB3 ALA 28 2HB ALA 28 8.179 -0.890 -2.824 237 H LEU 29 H LEU 29 6.392 -0.537 0.332 238 HA LEU 29 HA LEU 29 5.104 1.741 -0.716 239 HB2 LEU 29 2HB LEU 29 4.589 0.195 1.835 240 HB3 LEU 29 3HB LEU 29 3.556 1.495 1.276 241 HG LEU 29 HG LEU 29 2.518 -0.573 0.684 242 HD11 LEU 29 1HD1 LEU 29 3.798 0.610 -1.779 243 HD12 LEU 29 2HD1 LEU 29 2.344 1.204 -0.975 244 HD13 LEU 29 3HD1 LEU 29 2.342 -0.385 -1.739 245 HD21 LEU 29 3HD2 LEU 29 5.092 -1.347 -0.692 246 HD22 LEU 29 1HD2 LEU 29 3.591 -2.276 -0.698 247 HD23 LEU 29 2HD2 LEU 29 4.470 -2.031 0.811 248 H ASN 30 H ASN 30 6.683 1.253 2.443 249 HA ASN 30 HA ASN 30 6.318 3.820 3.475 250 HB2 ASN 30 2HB ASN 30 8.522 1.808 3.975 251 HB3 ASN 30 3HB ASN 30 8.331 3.288 4.908 252 HD21 ASN 30 1HD2 ASN 30 7.016 0.145 4.232 253 HD22 ASN 30 2HD2 ASN 30 5.911 0.116 5.556 254 H LYS 31 H LYS 31 9.041 2.584 1.527 255 HA LYS 31 HA LYS 31 10.561 4.972 1.569 256 HB2 LYS 31 2HB LYS 31 10.525 2.708 -0.441 257 HB3 LYS 31 3HB LYS 31 11.717 4.003 -0.433 258 HG2 LYS 31 2HG LYS 31 12.431 3.312 1.819 259 HG3 LYS 31 3HG LYS 31 11.263 1.994 1.772 260 HD2 LYS 31 2HD LYS 31 13.574 2.358 -0.141 261 HD3 LYS 31 3HD LYS 31 13.541 1.239 1.221 262 HE2 LYS 31 2HE LYS 31 11.563 0.129 0.169 263 HE3 LYS 31 3HE LYS 31 11.787 1.174 -1.234 264 HZ1 LYS 31 3HZ LYS 31 13.721 -0.824 -0.193 265 HZ2 LYS 31 1HZ LYS 31 14.031 0.239 -1.477 266 HZ3 LYS 31 2HZ LYS 31 12.825 -0.933 -1.624 267 H ALA 32 H ALA 32 8.086 3.785 -0.674 268 HA ALA 32 HA ALA 32 8.258 5.969 -2.487 269 HB1 ALA 32 3HB ALA 32 6.088 5.182 -3.317 270 HB2 ALA 32 1HB ALA 32 5.950 4.106 -1.926 271 HB3 ALA 32 2HB ALA 32 7.232 3.855 -3.113 272 H ILE 33 H ILE 33 6.499 5.481 0.519 273 HA ILE 33 HA ILE 33 4.855 7.787 0.447 274 HB ILE 33 HB ILE 33 6.016 6.267 2.795 275 HG12 ILE 33 2HG1 ILE 33 3.203 6.297 1.661 276 HG13 ILE 33 3HG1 ILE 33 4.399 5.053 1.320 277 HG21 ILE 33 1HG2 ILE 33 3.908 8.436 2.825 278 HG22 ILE 33 2HG2 ILE 33 5.530 8.543 3.509 279 HG23 ILE 33 3HG2 ILE 33 4.357 7.424 4.199 280 HD11 ILE 33 3HD1 ILE 33 3.248 5.700 4.024 281 HD12 ILE 33 1HD1 ILE 33 4.441 4.444 3.684 282 HD13 ILE 33 2HD1 ILE 33 2.816 4.327 3.008 283 H VAL 34 H VAL 34 8.113 7.250 1.798 284 HA VAL 34 HA VAL 34 8.621 9.906 2.599 285 HB VAL 34 HB VAL 34 10.619 7.835 1.639 286 HG11 VAL 34 1HG1 VAL 34 12.264 9.089 2.960 287 HG12 VAL 34 2HG1 VAL 34 11.037 10.296 3.352 288 HG13 VAL 34 3HG1 VAL 34 11.573 10.093 1.684 289 HG21 VAL 34 3HG2 VAL 34 9.637 8.439 4.435 290 HG22 VAL 34 1HG2 VAL 34 10.896 7.278 4.009 291 HG23 VAL 34 2HG2 VAL 34 9.234 7.009 3.483 292 H SER 35 H SER 35 8.976 8.277 -0.505 293 HA SER 35 HA SER 35 10.192 10.516 -1.842 294 HB2 SER 35 2HB SER 35 10.489 8.162 -2.607 295 HB3 SER 35 3HB SER 35 8.784 8.119 -3.055 296 HG SER 35 HG SER 35 9.508 10.156 -4.330 297 H GLY 36 H GLY 36 7.005 9.817 -0.883 298 HA2 GLY 36 2HA GLY 36 5.035 10.970 -1.156 299 HA3 GLY 36 3HA GLY 36 5.964 12.239 -1.935 300 H THR 37 H THR 37 5.521 8.860 -2.966 301 HA THR 37 HA THR 37 4.121 9.856 -5.383 302 HB THR 37 HB THR 37 6.415 9.339 -5.996 303 HG1 THR 37 HG1 THR 37 4.917 7.138 -6.975 304 HG21 THR 37 3HG2 THR 37 6.956 7.751 -4.216 305 HG22 THR 37 1HG2 THR 37 7.324 7.066 -5.800 306 HG23 THR 37 2HG2 THR 37 5.873 6.558 -4.934 307 H VAL 38 H VAL 38 3.315 8.382 -2.771 308 HA VAL 38 HA VAL 38 2.020 6.020 -3.954 309 HB VAL 38 HB VAL 38 2.143 6.876 -1.048 310 HG11 VAL 38 1HG1 VAL 38 1.093 4.335 -2.316 311 HG12 VAL 38 2HG1 VAL 38 0.142 5.571 -1.491 312 HG13 VAL 38 3HG1 VAL 38 1.297 4.597 -0.583 313 HG21 VAL 38 3HG2 VAL 38 3.718 5.031 -0.768 314 HG22 VAL 38 1HG2 VAL 38 4.329 6.220 -1.916 315 HG23 VAL 38 2HG2 VAL 38 3.653 4.700 -2.499 316 H GLN 39 H GLN 39 0.194 6.697 -5.031 317 HA GLN 39 HA GLN 39 -1.765 8.233 -3.457 318 HB2 GLN 39 2HB GLN 39 -2.956 8.615 -5.619 319 HB3 GLN 39 3HB GLN 39 -1.357 9.328 -5.547 320 HG2 GLN 39 2HG GLN 39 -1.291 8.456 -7.645 321 HG3 GLN 39 3HG GLN 39 -0.662 7.079 -6.745 322 HE21 GLN 39 1HE2 GLN 39 -1.339 5.661 -8.389 323 HE22 GLN 39 2HE2 GLN 39 -2.998 5.232 -8.581 324 H ARG 40 H ARG 40 -3.631 7.356 -2.829 325 HA ARG 40 HA ARG 40 -4.025 4.520 -3.052 326 HB2 ARG 40 2HB ARG 40 -5.561 6.770 -1.760 327 HB3 ARG 40 3HB ARG 40 -6.185 5.126 -1.782 328 HG2 ARG 40 2HG ARG 40 -4.453 4.318 -0.432 329 HG3 ARG 40 3HG ARG 40 -3.440 5.730 -0.731 330 HD2 ARG 40 2HD ARG 40 -6.076 5.942 0.703 331 HD3 ARG 40 3HD ARG 40 -4.584 5.537 1.556 332 HE ARG 40 HE ARG 40 -3.963 7.788 0.154 333 HH11 ARG 40 1HH1 ARG 40 -6.503 7.015 2.366 334 HH12 ARG 40 2HH1 ARG 40 -6.535 8.608 3.040 335 HH21 ARG 40 1HH2 ARG 40 -3.996 9.814 1.070 336 HH22 ARG 40 2HH2 ARG 40 -5.126 10.163 2.331 337 H ALA 41 H ALA 41 -6.381 3.739 -3.581 338 HA ALA 41 HA ALA 41 -6.786 3.963 -6.313 339 HB1 ALA 41 3HB ALA 41 -8.941 2.858 -5.952 340 HB2 ALA 41 1HB ALA 41 -8.835 3.211 -4.226 341 HB3 ALA 41 2HB ALA 41 -7.668 2.124 -4.977 342 H ASP 42 H ASP 42 -8.210 5.904 -3.733 343 HA ASP 42 HA ASP 42 -10.030 7.375 -5.336 344 HB2 ASP 42 2HB ASP 42 -10.275 7.391 -2.940 345 HB3 ASP 42 3HB ASP 42 -8.644 8.019 -2.724 346 H GLY 43 H GLY 43 -6.611 7.743 -4.652 347 HA2 GLY 43 2HA GLY 43 -5.245 8.920 -6.332 348 HA3 GLY 43 3HA GLY 43 -6.493 10.156 -6.373 349 H SER 44 H SER 44 -6.698 9.746 -3.334 350 HA SER 44 HA SER 44 -5.054 11.894 -2.535 351 HB2 SER 44 2HB SER 44 -6.447 9.798 -0.848 352 HB3 SER 44 3HB SER 44 -5.741 11.286 -0.222 353 HG SER 44 HG SER 44 -8.133 10.881 -1.483 354 H ILE 45 H ILE 45 -2.999 11.998 -1.930 355 HA ILE 45 HA ILE 45 -1.249 9.774 -2.108 356 HB ILE 45 HB ILE 45 -0.746 12.515 -0.908 357 HG12 ILE 45 2HG1 ILE 45 -1.467 12.600 -3.267 358 HG13 ILE 45 3HG1 ILE 45 0.212 13.088 -3.091 359 HG21 ILE 45 1HG2 ILE 45 0.955 10.955 -0.157 360 HG22 ILE 45 2HG2 ILE 45 1.643 12.053 -1.354 361 HG23 ILE 45 3HG2 ILE 45 1.220 10.405 -1.812 362 HD11 ILE 45 3HD1 ILE 45 0.926 10.877 -3.858 363 HD12 ILE 45 1HD1 ILE 45 -0.087 11.699 -5.047 364 HD13 ILE 45 2HD1 ILE 45 -0.763 10.408 -4.054 365 H GLN 46 H GLN 46 -0.011 8.730 -0.486 366 HA GLN 46 HA GLN 46 -1.137 8.790 2.226 367 HB2 GLN 46 2HB GLN 46 -0.970 6.590 1.177 368 HB3 GLN 46 3HB GLN 46 0.746 6.828 0.888 369 HG2 GLN 46 2HG GLN 46 0.255 5.333 2.794 370 HG3 GLN 46 3HG GLN 46 1.219 6.741 3.239 371 HE21 GLN 46 1HE2 GLN 46 -1.923 5.235 3.473 372 HE22 GLN 46 2HE2 GLN 46 -2.504 6.212 4.773 373 H ASN 47 H ASN 47 -0.155 10.049 3.680 374 HA ASN 47 HA ASN 47 2.532 11.060 3.107 375 HB2 ASN 47 2HB ASN 47 0.533 11.964 5.191 376 HB3 ASN 47 3HB ASN 47 2.034 12.783 4.765 377 HD21 ASN 47 1HD2 ASN 47 1.758 12.329 1.917 378 HD22 ASN 47 2HD2 ASN 47 0.498 13.379 1.384 379 H GLN 48 H GLN 48 0.858 9.153 5.543 380 HA GLN 48 HA GLN 48 3.258 9.179 7.244 381 HB2 GLN 48 2HB GLN 48 1.769 8.212 8.999 382 HB3 GLN 48 3HB GLN 48 1.277 9.801 8.435 383 HG2 GLN 48 2HG GLN 48 -0.753 8.793 8.464 384 HG3 GLN 48 3HG GLN 48 -0.264 8.362 6.827 385 HE21 GLN 48 1HE2 GLN 48 0.283 6.212 6.384 386 HE22 GLN 48 2HE2 GLN 48 -0.095 4.929 7.475 387 H SER 49 H SER 49 4.144 7.241 8.102 388 HA SER 49 HA SER 49 3.992 5.011 6.217 389 HB2 SER 49 2HB SER 49 6.036 4.198 7.382 390 HB3 SER 49 3HB SER 49 6.218 5.838 6.762 391 HG SER 49 HG SER 49 6.998 5.843 8.830 392 H LEU 50 H LEU 50 4.160 2.754 7.148 393 HA LEU 50 HA LEU 50 2.761 2.340 9.663 394 HB2 LEU 50 2HB LEU 50 0.969 0.966 8.548 395 HB3 LEU 50 3HB LEU 50 0.860 2.697 8.306 396 HG LEU 50 HG LEU 50 2.093 2.219 6.055 397 HD11 LEU 50 1HD1 LEU 50 0.917 -0.504 6.605 398 HD12 LEU 50 2HD1 LEU 50 2.637 -0.118 6.511 399 HD13 LEU 50 3HD1 LEU 50 1.618 0.044 5.080 400 HD21 LEU 50 3HD2 LEU 50 -0.182 3.068 6.224 401 HD22 LEU 50 1HD2 LEU 50 -0.792 1.431 6.469 402 HD23 LEU 50 2HD2 LEU 50 -0.053 1.877 4.934 403 H HIS 51 H HIS 51 2.597 0.041 10.276 404 HA HIS 51 HA HIS 51 4.902 -1.454 9.197 405 HB2 HIS 51 2HB HIS 51 3.592 -1.522 11.924 406 HB3 HIS 51 3HB HIS 51 4.829 -2.666 11.413 407 HD1 HIS 51 HD1 HIS 51 7.242 -1.863 11.379 408 HD2 HIS 51 HD2 HIS 51 4.528 1.128 12.342 409 HE1 HIS 51 HE1 HIS 51 8.626 0.059 12.200 410 HE2 HIS 51 HE2 HIS 51 6.979 1.926 12.535 411 H GLU 52 H GLU 52 1.505 -1.592 9.228 412 HA GLU 52 HA GLU 52 1.608 -4.376 8.312 413 HB2 GLU 52 2HB GLU 52 -0.297 -3.332 10.419 414 HB3 GLU 52 3HB GLU 52 -0.529 -4.853 9.565 415 HG2 GLU 52 2HG GLU 52 1.575 -5.700 10.464 416 HG3 GLU 52 3HG GLU 52 1.854 -4.167 11.285 417 H ALA 53 H ALA 53 0.237 -4.904 6.694 418 HA ALA 53 HA ALA 53 -1.944 -3.191 5.879 419 HB1 ALA 53 3HB ALA 53 -0.010 -2.022 4.909 420 HB2 ALA 53 1HB ALA 53 -1.060 -2.691 3.658 421 HB3 ALA 53 2HB ALA 53 0.455 -3.497 4.063 422 H LEU 54 H LEU 54 -2.895 -4.073 3.732 423 HA LEU 54 HA LEU 54 -2.790 -7.028 3.800 424 HB2 LEU 54 2HB LEU 54 -5.089 -5.238 3.001 425 HB3 LEU 54 3HB LEU 54 -5.125 -6.990 3.053 426 HG LEU 54 HG LEU 54 -4.738 -5.211 5.468 427 HD11 LEU 54 1HD1 LEU 54 -6.967 -4.926 4.526 428 HD12 LEU 54 2HD1 LEU 54 -7.031 -5.804 6.052 429 HD13 LEU 54 3HD1 LEU 54 -7.205 -6.674 4.528 430 HD21 LEU 54 3HD2 LEU 54 -5.255 -8.181 5.261 431 HD22 LEU 54 1HD2 LEU 54 -5.131 -7.246 6.752 432 HD23 LEU 54 2HD2 LEU 54 -3.724 -7.427 5.707 433 H ILE 55 H ILE 55 -2.972 -8.158 1.807 434 HA ILE 55 HA ILE 55 -2.860 -6.645 -0.690 435 HB ILE 55 HB ILE 55 -0.500 -6.825 0.041 436 HG12 ILE 55 2HG1 ILE 55 0.405 -7.852 -2.038 437 HG13 ILE 55 3HG1 ILE 55 -1.180 -8.540 -2.371 438 HG21 ILE 55 1HG2 ILE 55 0.612 -9.005 0.138 439 HG22 ILE 55 2HG2 ILE 55 -0.935 -9.811 -0.120 440 HG23 ILE 55 3HG2 ILE 55 -0.662 -8.874 1.350 441 HD11 ILE 55 3HD1 ILE 55 -0.536 -5.604 -2.220 442 HD12 ILE 55 1HD1 ILE 55 -2.116 -6.301 -2.573 443 HD13 ILE 55 2HD1 ILE 55 -0.775 -6.545 -3.691 444 H THR 56 H THR 56 -3.495 -7.865 -2.513 445 HA THR 56 HA THR 56 -4.923 -10.322 -2.014 446 HB THR 56 HB THR 56 -5.520 -10.318 -4.346 447 HG1 THR 56 HG1 THR 56 -4.218 -9.531 -5.805 448 HG21 THR 56 3HG2 THR 56 -6.705 -8.674 -2.965 449 HG22 THR 56 1HG2 THR 56 -6.511 -8.086 -4.616 450 HG23 THR 56 2HG2 THR 56 -5.474 -7.466 -3.332 451 H ARG 57 H ARG 57 -4.457 -12.389 -3.023 452 HA ARG 57 HA ARG 57 -1.866 -13.287 -2.670 453 HB2 ARG 57 2HB ARG 57 -3.782 -14.798 -2.739 454 HB3 ARG 57 3HB ARG 57 -3.999 -14.478 -4.454 455 HG2 ARG 57 2HG ARG 57 -2.939 -16.613 -4.173 456 HG3 ARG 57 3HG ARG 57 -1.789 -15.492 -4.899 457 HD2 ARG 57 2HD ARG 57 -0.627 -16.753 -3.235 458 HD3 ARG 57 3HD ARG 57 -0.833 -15.116 -2.613 459 HE ARG 57 HE ARG 57 -2.955 -16.771 -1.746 460 HH11 ARG 57 1HH1 ARG 57 0.398 -16.194 -1.180 461 HH12 ARG 57 2HH1 ARG 57 0.332 -16.762 0.452 462 HH21 ARG 57 1HH2 ARG 57 -3.014 -17.514 0.345 463 HH22 ARG 57 2HH2 ARG 57 -1.570 -17.511 1.299 464 H ASP 58 H ASP 58 -3.281 -11.952 -5.626 465 HA ASP 58 HA ASP 58 -0.820 -12.568 -7.105 466 HB2 ASP 58 2HB ASP 58 -2.071 -12.041 -9.115 467 HB3 ASP 58 3HB ASP 58 -2.969 -13.190 -8.133 468 H ARG 59 H ARG 59 -1.698 -10.174 -5.138 469 HA ARG 59 HA ARG 59 -0.804 -8.152 -4.688 470 HB2 ARG 59 2HB ARG 59 1.118 -9.138 -6.769 471 HB3 ARG 59 3HB ARG 59 1.259 -7.497 -6.161 472 HG2 ARG 59 2HG ARG 59 2.757 -8.900 -4.935 473 HG3 ARG 59 3HG ARG 59 1.451 -8.399 -3.860 474 HD2 ARG 59 2HD ARG 59 0.364 -10.583 -4.172 475 HD3 ARG 59 3HD ARG 59 1.675 -11.079 -5.247 476 HE ARG 59 HE ARG 59 2.683 -10.237 -2.731 477 HH11 ARG 59 1HH1 ARG 59 1.084 -12.902 -4.232 478 HH12 ARG 59 2HH1 ARG 59 1.761 -14.052 -3.131 479 HH21 ARG 59 1HH2 ARG 59 3.499 -11.712 -1.318 480 HH22 ARG 59 2HH2 ARG 59 3.109 -13.389 -1.499 481 H LYS 60 H LYS 60 -3.105 -7.847 -6.062 482 HA LYS 60 HA LYS 60 -2.724 -5.938 -8.216 483 HB2 LYS 60 2HB LYS 60 -5.222 -6.630 -6.649 484 HB3 LYS 60 3HB LYS 60 -5.172 -5.569 -8.047 485 HG2 LYS 60 2HG LYS 60 -4.281 -7.563 -9.347 486 HG3 LYS 60 3HG LYS 60 -4.738 -8.540 -7.948 487 HD2 LYS 60 2HD LYS 60 -7.056 -7.614 -8.142 488 HD3 LYS 60 3HD LYS 60 -6.564 -6.811 -9.632 489 HE2 LYS 60 2HE LYS 60 -7.673 -8.813 -10.262 490 HE3 LYS 60 3HE LYS 60 -5.951 -9.089 -10.524 491 HZ1 LYS 60 3HZ LYS 60 -7.509 -10.009 -8.168 492 HZ2 LYS 60 1HZ LYS 60 -5.856 -10.280 -8.425 493 HZ3 LYS 60 2HZ LYS 60 -7.003 -10.977 -9.453 494 H GLN 61 H GLN 61 -4.328 -5.664 -5.035 495 HA GLN 61 HA GLN 61 -3.466 -2.841 -4.888 496 HB2 GLN 61 2HB GLN 61 -6.186 -3.967 -4.163 497 HB3 GLN 61 3HB GLN 61 -5.676 -2.307 -3.894 498 HG2 GLN 61 2HG GLN 61 -5.841 -3.605 -6.610 499 HG3 GLN 61 3HG GLN 61 -7.132 -2.650 -5.891 500 HE21 GLN 61 1HE2 GLN 61 -5.263 -0.744 -4.681 501 HE22 GLN 61 2HE2 GLN 61 -4.695 0.236 -5.974 502 H VAL 62 H VAL 62 -2.803 -2.107 -2.933 503 HA VAL 62 HA VAL 62 -2.674 -3.980 -0.680 504 HB VAL 62 HB VAL 62 -1.298 -1.304 -1.071 505 HG11 VAL 62 1HG1 VAL 62 0.077 -1.942 0.868 506 HG12 VAL 62 2HG1 VAL 62 -0.906 -3.391 1.081 507 HG13 VAL 62 3HG1 VAL 62 -1.629 -1.796 1.293 508 HG21 VAL 62 3HG2 VAL 62 -0.473 -2.978 -2.643 509 HG22 VAL 62 1HG2 VAL 62 -0.189 -4.106 -1.317 510 HG23 VAL 62 2HG2 VAL 62 0.749 -2.617 -1.422 511 H PHE 63 H PHE 63 -4.182 -3.800 0.899 512 HA PHE 63 HA PHE 63 -5.663 -1.277 1.185 513 HB2 PHE 63 2HB PHE 63 -6.194 -4.022 2.352 514 HB3 PHE 63 3HB PHE 63 -7.200 -2.608 2.631 515 HD1 PHE 63 HD2 PHE 63 -6.199 -5.155 0.200 516 HD2 PHE 63 HD1 PHE 63 -8.645 -1.739 0.898 517 HE1 PHE 63 HE2 PHE 63 -7.497 -5.674 -1.827 518 HE2 PHE 63 HE1 PHE 63 -9.948 -2.255 -1.123 519 HZ PHE 63 HZ PHE 63 -9.374 -4.221 -2.490 520 H ARG 64 H ARG 64 -5.666 -0.064 3.048 521 HA ARG 64 HA ARG 64 -3.340 -0.418 4.750 522 HB2 ARG 64 2HB ARG 64 -3.859 1.790 3.799 523 HB3 ARG 64 3HB ARG 64 -5.397 1.804 4.653 524 HG2 ARG 64 2HG ARG 64 -4.256 1.875 6.785 525 HG3 ARG 64 3HG ARG 64 -2.691 1.725 5.987 526 HD2 ARG 64 2HD ARG 64 -3.176 4.046 6.646 527 HD3 ARG 64 3HD ARG 64 -3.005 3.872 4.899 528 HE ARG 64 HE ARG 64 -5.274 4.325 4.640 529 HH11 ARG 64 1HH1 ARG 64 -4.428 4.184 7.983 530 HH12 ARG 64 2HH1 ARG 64 -5.928 4.878 8.492 531 HH21 ARG 64 1HH2 ARG 64 -7.149 5.248 5.300 532 HH22 ARG 64 2HH2 ARG 64 -7.441 5.500 6.990 533 H ILE 65 H ILE 65 -3.409 -0.378 7.075 534 HA ILE 65 HA ILE 65 -5.977 -1.266 8.246 535 HB ILE 65 HB ILE 65 -3.186 -2.104 9.082 536 HG12 ILE 65 2HG1 ILE 65 -5.400 -3.712 7.764 537 HG13 ILE 65 3HG1 ILE 65 -3.927 -3.162 6.971 538 HG21 ILE 65 1HG2 ILE 65 -4.657 -1.956 11.008 539 HG22 ILE 65 2HG2 ILE 65 -4.336 -3.647 10.630 540 HG23 ILE 65 3HG2 ILE 65 -5.881 -2.922 10.182 541 HD11 ILE 65 3HD1 ILE 65 -4.090 -5.120 9.252 542 HD12 ILE 65 1HD1 ILE 65 -2.604 -4.552 8.493 543 HD13 ILE 65 2HD1 ILE 65 -3.761 -5.498 7.560 544 H GLU 66 H GLU 66 -6.728 -0.136 9.945 545 HA GLU 66 HA GLU 66 -4.877 1.312 11.685 546 HB2 GLU 66 2HB GLU 66 -6.304 3.332 11.713 547 HB3 GLU 66 3HB GLU 66 -5.592 3.046 10.132 548 HG2 GLU 66 2HG GLU 66 -7.668 2.257 9.253 549 HG3 GLU 66 3HG GLU 66 -8.405 2.241 10.855 550 H ASP 67 H ASP 67 -5.690 1.669 13.817 551 HA ASP 67 HA ASP 67 -6.823 1.107 15.715 552 HB2 ASP 67 2HB ASP 67 -8.655 2.311 14.455 553 HB3 ASP 67 3HB ASP 67 -9.233 0.743 13.904 554 H SER 68 H SER 68 -5.593 -0.991 13.930 555 HA SER 68 HA SER 68 -5.291 -3.249 13.842 556 HB2 SER 68 2HB SER 68 -5.427 -3.183 16.303 557 HB3 SER 68 3HB SER 68 -7.179 -3.329 16.216 558 HG SER 68 HG SER 68 -6.020 -5.335 16.612 559 H ILE 69 H ILE 69 -7.738 -1.804 12.645 560 HA ILE 69 HA ILE 69 -9.454 -4.150 12.138 561 HB ILE 69 HB ILE 69 -10.051 -1.206 11.744 562 HG12 ILE 69 2HG1 ILE 69 -9.982 -1.845 14.110 563 HG13 ILE 69 3HG1 ILE 69 -11.634 -1.501 13.615 564 HG21 ILE 69 1HG2 ILE 69 -11.226 -2.544 10.085 565 HG22 ILE 69 2HG2 ILE 69 -12.361 -1.920 11.283 566 HG23 ILE 69 3HG2 ILE 69 -11.846 -3.607 11.351 567 HD11 ILE 69 3HD1 ILE 69 -12.093 -3.890 13.467 568 HD12 ILE 69 1HD1 ILE 69 -11.515 -3.442 15.072 569 HD13 ILE 69 2HD1 ILE 69 -10.429 -4.242 13.937 570 HA PRO 70 HA PRO 70 -7.683 -4.248 7.977 571 HB2 PRO 70 2HB PRO 70 -10.034 -5.978 7.422 572 HB3 PRO 70 3HB PRO 70 -8.314 -6.316 7.211 573 HG2 PRO 70 2HG PRO 70 -9.708 -7.455 9.182 574 HG3 PRO 70 3HG PRO 70 -8.028 -6.938 9.428 575 HD2 PRO 70 2HD PRO 70 -10.571 -5.583 10.280 576 HD3 PRO 70 3HD PRO 70 -9.050 -5.789 11.177 577 H VAL 71 H VAL 71 -8.103 -2.188 7.168 578 HA VAL 71 HA VAL 71 -10.770 -1.291 6.568 579 HB VAL 71 HB VAL 71 -8.121 -0.064 5.762 580 HG11 VAL 71 1HG1 VAL 71 -9.961 0.763 4.398 581 HG12 VAL 71 2HG1 VAL 71 -9.401 2.015 5.506 582 HG13 VAL 71 3HG1 VAL 71 -10.891 1.136 5.849 583 HG21 VAL 71 3HG2 VAL 71 -8.405 1.405 7.698 584 HG22 VAL 71 1HG2 VAL 71 -8.322 -0.285 8.196 585 HG23 VAL 71 2HG2 VAL 71 -9.877 0.545 8.145 586 H LEU 72 H LEU 72 -11.700 -2.616 5.050 587 HA LEU 72 HA LEU 72 -10.336 -3.165 2.527 588 HB2 LEU 72 2HB LEU 72 -13.071 -4.013 3.505 589 HB3 LEU 72 3HB LEU 72 -12.279 -4.595 2.050 590 HG LEU 72 HG LEU 72 -11.372 -5.080 4.897 591 HD11 LEU 72 1HD1 LEU 72 -13.327 -6.387 4.278 592 HD12 LEU 72 2HD1 LEU 72 -11.905 -7.417 4.422 593 HD13 LEU 72 3HD1 LEU 72 -12.504 -6.961 2.827 594 HD21 LEU 72 3HD2 LEU 72 -9.443 -4.853 3.426 595 HD22 LEU 72 1HD2 LEU 72 -10.145 -6.017 2.298 596 HD23 LEU 72 2HD2 LEU 72 -9.657 -6.534 3.914 597 H LEU 73 H LEU 73 -11.122 -0.412 3.126 598 HA LEU 73 HA LEU 73 -13.455 0.252 1.598 599 HB2 LEU 73 2HB LEU 73 -11.191 1.951 2.649 600 HB3 LEU 73 3HB LEU 73 -12.587 2.607 1.817 601 HG LEU 73 HG LEU 73 -12.635 1.116 4.451 602 HD11 LEU 73 1HD1 LEU 73 -11.697 3.368 4.639 603 HD12 LEU 73 2HD1 LEU 73 -13.282 3.265 5.409 604 HD13 LEU 73 3HD1 LEU 73 -13.118 4.034 3.829 605 HD21 LEU 73 3HD2 LEU 73 -14.890 2.407 2.909 606 HD22 LEU 73 1HD2 LEU 73 -15.008 1.713 4.525 607 HD23 LEU 73 2HD2 LEU 73 -14.651 0.675 3.147 608 HA PRO 74 HA PRO 74 -11.769 -0.037 -2.478 609 HB2 PRO 74 2HB PRO 74 -13.408 1.772 -3.762 610 HB3 PRO 74 3HB PRO 74 -13.883 0.122 -3.342 611 HG2 PRO 74 2HG PRO 74 -14.437 2.680 -1.878 612 HG3 PRO 74 3HG PRO 74 -15.530 1.323 -2.214 613 HD2 PRO 74 2HD PRO 74 -14.389 1.617 0.193 614 HD3 PRO 74 3HD PRO 74 -14.620 0.005 -0.521 615 H GLU 75 H GLU 75 -12.080 3.144 -0.978 616 HA GLU 75 HA GLU 75 -10.443 4.482 -2.925 617 HB2 GLU 75 2HB GLU 75 -10.501 6.405 -1.403 618 HB3 GLU 75 3HB GLU 75 -12.109 5.745 -1.655 619 HG2 GLU 75 2HG GLU 75 -10.658 4.717 0.709 620 HG3 GLU 75 3HG GLU 75 -11.111 6.419 0.760 621 H GLU 76 H GLU 76 -9.847 2.858 0.126 622 HA GLU 76 HA GLU 76 -7.207 3.985 0.482 623 HB2 GLU 76 2HB GLU 76 -8.714 1.827 1.970 624 HB3 GLU 76 3HB GLU 76 -7.104 2.378 2.420 625 HG2 GLU 76 2HG GLU 76 -9.607 4.057 2.354 626 HG3 GLU 76 3HG GLU 76 -8.801 3.434 3.792 627 H ALA 77 H ALA 77 -8.075 1.936 -1.783 628 HA ALA 77 HA ALA 77 -6.139 -0.180 -1.383 629 HB1 ALA 77 3HB ALA 77 -6.893 -0.997 -3.556 630 HB2 ALA 77 1HB ALA 77 -7.819 0.482 -3.803 631 HB3 ALA 77 2HB ALA 77 -8.267 -0.633 -2.512 632 H ILE 78 H ILE 78 -4.035 0.506 -1.469 633 HA ILE 78 HA ILE 78 -3.064 2.412 -3.389 634 HB ILE 78 HB ILE 78 -1.555 0.476 -1.603 635 HG12 ILE 78 2HG1 ILE 78 -0.922 2.673 -0.431 636 HG13 ILE 78 3HG1 ILE 78 -2.213 3.425 -1.361 637 HG21 ILE 78 1HG2 ILE 78 0.451 1.808 -2.135 638 HG22 ILE 78 2HG2 ILE 78 -0.480 2.710 -3.329 639 HG23 ILE 78 3HG2 ILE 78 -0.202 0.983 -3.550 640 HD11 ILE 78 3HD1 ILE 78 -3.834 1.941 -0.314 641 HD12 ILE 78 1HD1 ILE 78 -2.929 2.859 0.889 642 HD13 ILE 78 2HD1 ILE 78 -2.540 1.162 0.601 643 H ALA 79 H ALA 79 -2.263 2.057 -5.412 644 HA ALA 79 HA ALA 79 -2.493 -0.610 -6.542 645 HB1 ALA 79 3HB ALA 79 -3.295 1.341 -7.798 646 HB2 ALA 79 1HB ALA 79 -2.043 0.470 -8.684 647 HB3 ALA 79 2HB ALA 79 -1.653 1.978 -7.857 648 H THR 80 H THR 80 -0.850 -2.041 -6.546 649 HA THR 80 HA THR 80 1.758 -1.512 -5.650 650 HB THR 80 HB THR 80 2.370 -3.729 -6.579 651 HG1 THR 80 HG1 THR 80 0.301 -4.830 -7.475 652 HG21 THR 80 3HG2 THR 80 0.786 -5.062 -5.264 653 HG22 THR 80 1HG2 THR 80 -0.321 -3.690 -5.196 654 HG23 THR 80 2HG2 THR 80 1.249 -3.596 -4.399 655 H ILE 81 H ILE 81 0.533 -1.828 -8.965 656 HA ILE 81 HA ILE 81 2.948 -1.531 -10.353 657 HB ILE 81 HB ILE 81 0.860 -2.315 -11.394 658 HG12 ILE 81 2HG1 ILE 81 1.019 -1.048 -13.538 659 HG13 ILE 81 3HG1 ILE 81 2.024 0.152 -12.731 660 HG21 ILE 81 1HG2 ILE 81 -0.053 0.557 -11.202 661 HG22 ILE 81 2HG2 ILE 81 -0.697 -0.805 -10.285 662 HG23 ILE 81 3HG2 ILE 81 -0.903 -0.745 -12.038 663 HD11 ILE 81 3HD1 ILE 81 3.713 -1.566 -12.306 664 HD12 ILE 81 1HD1 ILE 81 3.367 -1.393 -14.026 665 HD13 ILE 81 2HD1 ILE 81 2.702 -2.755 -13.127 666 H GLN 82 H GLN 82 1.223 0.802 -8.547 667 HA GLN 82 HA GLN 82 2.141 3.135 -9.988 668 HB2 GLN 82 2HB GLN 82 0.013 3.177 -8.773 669 HB3 GLN 82 3HB GLN 82 0.844 2.840 -7.264 670 HG2 GLN 82 2HG GLN 82 0.245 5.175 -7.388 671 HG3 GLN 82 3HG GLN 82 2.002 5.006 -7.435 672 HE21 GLN 82 1HE2 GLN 82 3.090 5.464 -9.352 673 HE22 GLN 82 2HE2 GLN 82 2.349 6.351 -10.631 674 H ILE 83 H ILE 83 3.412 1.075 -7.544 675 HA ILE 83 HA ILE 83 5.093 3.093 -6.297 676 HB ILE 83 HB ILE 83 5.127 0.106 -5.839 677 HG12 ILE 83 2HG1 ILE 83 2.860 0.919 -5.456 678 HG13 ILE 83 3HG1 ILE 83 3.624 0.536 -3.917 679 HG21 ILE 83 1HG2 ILE 83 6.086 0.693 -3.661 680 HG22 ILE 83 2HG2 ILE 83 6.058 2.399 -4.106 681 HG23 ILE 83 3HG2 ILE 83 7.089 1.274 -4.989 682 HD11 ILE 83 3HD1 ILE 83 4.051 2.922 -3.555 683 HD12 ILE 83 1HD1 ILE 83 2.336 2.570 -3.759 684 HD13 ILE 83 2HD1 ILE 83 3.250 3.284 -5.084 685 H ALA 84 H ALA 84 7.072 3.622 -7.016 686 HA ALA 84 HA ALA 84 8.399 2.241 -9.123 687 HB1 ALA 84 3HB ALA 84 10.173 3.880 -8.843 688 HB2 ALA 84 1HB ALA 84 9.503 4.367 -7.285 689 HB3 ALA 84 2HB ALA 84 8.596 4.671 -8.767 690 H ASN 85 H ASN 85 8.605 2.047 -5.658 691 HA ASN 85 HA ASN 85 11.212 0.864 -5.544 692 HB2 ASN 85 2HB ASN 85 9.037 0.941 -3.440 693 HB3 ASN 85 3HB ASN 85 10.731 0.545 -3.163 694 HD21 ASN 85 1HD2 ASN 85 12.272 2.193 -3.254 695 HD22 ASN 85 2HD2 ASN 85 11.827 3.859 -3.176 696 H PHE 86 H PHE 86 8.368 -0.431 -6.631 697 HA PHE 86 HA PHE 86 8.965 -3.157 -5.733 698 HB2 PHE 86 2HB PHE 86 6.616 -1.852 -7.043 699 HB3 PHE 86 3HB PHE 86 6.888 -3.558 -7.374 700 HD1 PHE 86 HD2 PHE 86 6.654 -5.228 -5.620 701 HD2 PHE 86 HD1 PHE 86 5.955 -1.104 -4.829 702 HE1 PHE 86 HE2 PHE 86 5.523 -5.825 -3.517 703 HE2 PHE 86 HE1 PHE 86 4.819 -1.694 -2.732 704 HZ PHE 86 HZ PHE 86 4.600 -4.056 -2.071 705 HA PRO 87 HA PRO 87 11.407 -3.701 -9.530 706 HB2 PRO 87 2HB PRO 87 11.949 -6.361 -9.028 707 HB3 PRO 87 3HB PRO 87 12.891 -5.017 -8.378 708 HG2 PRO 87 2HG PRO 87 10.714 -6.611 -7.073 709 HG3 PRO 87 3HG PRO 87 12.253 -6.049 -6.392 710 HD2 PRO 87 2HD PRO 87 9.938 -4.790 -5.864 711 HD3 PRO 87 3HD PRO 87 11.461 -3.894 -6.051 712 H ASP 88 H ASP 88 10.540 -4.129 -11.478 713 HA ASP 88 HA ASP 88 7.930 -5.254 -11.682 714 HB2 ASP 88 2HB ASP 88 8.170 -4.774 -14.098 715 HB3 ASP 88 3HB ASP 88 8.580 -3.397 -13.085 716 H LYS 89 H LYS 89 8.308 -6.552 -14.327 717 HA LYS 89 HA LYS 89 9.660 -9.019 -13.679 718 HB2 LYS 89 2HB LYS 89 7.827 -10.450 -13.419 719 HB3 LYS 89 3HB LYS 89 7.404 -9.056 -12.445 720 HG2 LYS 89 2HG LYS 89 6.405 -9.105 -15.250 721 HG3 LYS 89 3HG LYS 89 5.693 -10.247 -14.118 722 HD2 LYS 89 2HD LYS 89 4.274 -8.401 -13.986 723 HD3 LYS 89 3HD LYS 89 5.333 -8.191 -12.593 724 HE2 LYS 89 2HE LYS 89 4.940 -6.089 -13.826 725 HE3 LYS 89 3HE LYS 89 6.639 -6.543 -13.785 726 HZ1 LYS 89 3HZ LYS 89 4.808 -7.031 -16.070 727 HZ2 LYS 89 1HZ LYS 89 6.466 -7.355 -16.039 728 HZ3 LYS 89 2HZ LYS 89 5.917 -5.761 -15.977 729 H LEU 90 H LEU 90 9.841 -10.459 -15.425 730 HA LEU 90 HA LEU 90 9.216 -9.265 -18.041 731 HB2 LEU 90 2HB LEU 90 10.986 -10.537 -18.979 732 HB3 LEU 90 3HB LEU 90 11.599 -9.839 -17.496 733 HG LEU 90 HG LEU 90 10.664 -12.709 -17.754 734 HD11 LEU 90 1HD1 LEU 90 13.034 -13.315 -17.745 735 HD12 LEU 90 2HD1 LEU 90 13.475 -11.607 -17.793 736 HD13 LEU 90 3HD1 LEU 90 12.623 -12.338 -19.154 737 HD21 LEU 90 3HD2 LEU 90 12.217 -11.312 -15.569 738 HD22 LEU 90 1HD2 LEU 90 11.830 -13.033 -15.624 739 HD23 LEU 90 2HD2 LEU 90 10.539 -11.844 -15.472 740 H GLU 91 H GLU 91 8.604 -10.748 -19.824 741 HA GLU 91 HA GLU 91 7.606 -13.371 -19.208 742 HB2 GLU 91 2HB GLU 91 5.764 -11.994 -18.309 743 HB3 GLU 91 3HB GLU 91 5.589 -11.212 -19.875 744 HG2 GLU 91 2HG GLU 91 3.877 -12.889 -19.587 745 HG3 GLU 91 3HG GLU 91 4.976 -13.364 -20.880 746 H HIS 92 H HIS 92 7.330 -14.623 -21.012 747 HA HIS 92 HA HIS 92 7.600 -13.311 -23.651 748 HB2 HIS 92 2HB HIS 92 9.731 -14.417 -22.738 749 HB3 HIS 92 3HB HIS 92 8.899 -15.954 -22.939 750 HD1 HIS 92 HD1 HIS 92 9.375 -17.055 -25.106 751 HD2 HIS 92 HD2 HIS 92 9.771 -12.926 -25.360 752 HE1 HIS 92 HE1 HIS 92 10.192 -16.598 -27.434 753 HE2 HIS 92 HE2 HIS 92 10.305 -14.092 -27.605 754 H HIS 93 H HIS 93 5.163 -13.911 -22.611 755 HA HIS 93 HA HIS 93 4.294 -16.399 -23.966 756 HB2 HIS 93 2HB HIS 93 4.188 -16.317 -21.417 757 HB3 HIS 93 3HB HIS 93 2.951 -15.080 -21.592 758 HD1 HIS 93 HD1 HIS 93 3.493 -18.595 -22.969 759 HD2 HIS 93 HD2 HIS 93 0.494 -16.173 -21.422 760 HE1 HIS 93 HE1 HIS 93 1.437 -20.029 -22.903 761 HE2 HIS 93 HE2 HIS 93 -0.301 -18.607 -21.782 762 H HIS 94 H HIS 94 4.519 -13.843 -25.246 763 HA HIS 94 HA HIS 94 2.149 -12.307 -25.111 764 HB2 HIS 94 2HB HIS 94 4.360 -12.385 -27.162 765 HB3 HIS 94 3HB HIS 94 3.030 -11.233 -27.224 766 HD1 HIS 94 HD1 HIS 94 6.348 -11.662 -25.877 767 HD2 HIS 94 HD2 HIS 94 2.945 -9.537 -24.794 768 HE1 HIS 94 HE1 HIS 94 7.135 -9.913 -24.257 769 HE2 HIS 94 HE2 HIS 94 5.064 -8.642 -23.612 770 H HIS 95 H HIS 95 0.216 -12.943 -25.708 771 HA HIS 95 HA HIS 95 -0.384 -13.309 -28.454 772 HB2 HIS 95 2HB HIS 95 0.290 -15.638 -28.005 773 HB3 HIS 95 3HB HIS 95 -0.877 -15.729 -26.689 774 HD1 HIS 95 HD1 HIS 95 -1.053 -14.805 -30.393 775 HD2 HIS 95 HD2 HIS 95 -3.148 -16.960 -27.516 776 HE1 HIS 95 HE1 HIS 95 -3.020 -15.793 -31.591 777 HE2 HIS 95 HE2 HIS 95 -4.249 -17.125 -29.855 778 H HIS 96 H HIS 96 -1.942 -11.794 -28.416 779 HA HIS 96 HA HIS 96 -3.594 -11.200 -26.216 780 HB2 HIS 96 2HB HIS 96 -3.038 -9.615 -28.063 781 HB3 HIS 96 3HB HIS 96 -4.093 -10.534 -29.131 782 HD1 HIS 96 HD1 HIS 96 -4.120 -7.974 -26.455 783 HD2 HIS 96 HD2 HIS 96 -6.879 -10.232 -28.583 784 HE1 HIS 96 HE1 HIS 96 -6.345 -6.914 -25.998 785 HE2 HIS 96 HE2 HIS 96 -8.012 -8.425 -27.120 786 H HIS 97 H HIS 97 -5.634 -11.794 -25.640 787 HA HIS 97 HA HIS 97 -7.037 -13.747 -27.358 788 HB2 HIS 97 2HB HIS 97 -7.983 -14.646 -25.123 789 HB3 HIS 97 3HB HIS 97 -6.340 -15.075 -25.574 790 HD1 HIS 97 HD1 HIS 97 -8.120 -12.542 -23.363 791 HD2 HIS 97 HD2 HIS 97 -4.508 -14.578 -23.630 792 HE1 HIS 97 HE1 HIS 97 -6.891 -12.019 -21.236 793 HE2 HIS 97 HE2 HIS 97 -4.766 -13.356 -21.365 Start of MODEL 14 1 H1 MET 1 1H MET 1 -4.889 -2.636 -16.518 2 H2 MET 1 2H MET 1 -4.885 -4.321 -16.655 3 H3 MET 1 3H MET 1 -6.317 -3.457 -16.894 4 HA MET 1 HA MET 1 -5.444 -2.421 -18.869 5 HB2 MET 1 2HB MET 1 -3.002 -4.154 -18.414 6 HB3 MET 1 3HB MET 1 -3.245 -3.011 -19.727 7 HG2 MET 1 2HG MET 1 -2.950 -2.335 -16.802 8 HG3 MET 1 3HG MET 1 -1.735 -2.108 -18.060 9 HE1 MET 1 3HE MET 1 -3.381 -1.010 -20.510 10 HE2 MET 1 1HE MET 1 -1.867 -0.302 -19.950 11 HE3 MET 1 2HE MET 1 -3.269 0.729 -20.239 12 H ASP 2 H ASP 2 -6.823 -4.966 -17.849 13 HA ASP 2 HA ASP 2 -5.981 -7.034 -19.710 14 HB2 ASP 2 2HB ASP 2 -8.119 -7.105 -17.570 15 HB3 ASP 2 3HB ASP 2 -7.421 -8.494 -18.402 16 H ARG 3 H ARG 3 -7.409 -4.684 -20.821 17 HA ARG 3 HA ARG 3 -10.084 -5.110 -21.365 18 HB2 ARG 3 2HB ARG 3 -9.721 -3.804 -23.468 19 HB3 ARG 3 3HB ARG 3 -9.067 -3.048 -22.020 20 HG2 ARG 3 2HG ARG 3 -6.831 -3.663 -22.620 21 HG3 ARG 3 3HG ARG 3 -7.408 -4.649 -23.966 22 HD2 ARG 3 2HD ARG 3 -6.507 -2.453 -24.679 23 HD3 ARG 3 3HD ARG 3 -8.194 -2.688 -25.129 24 HE ARG 3 HE ARG 3 -8.531 -1.349 -22.894 25 HH11 ARG 3 1HH1 ARG 3 -6.169 -0.791 -25.339 26 HH12 ARG 3 2HH1 ARG 3 -6.122 0.912 -25.050 27 HH21 ARG 3 1HH2 ARG 3 -8.476 0.826 -22.554 28 HH22 ARG 3 2HH2 ARG 3 -7.414 1.816 -23.497 29 H LYS 4 H LYS 4 -7.315 -6.635 -22.955 30 HA LYS 4 HA LYS 4 -8.834 -7.817 -25.063 31 HB2 LYS 4 2HB LYS 4 -6.751 -9.217 -25.402 32 HB3 LYS 4 3HB LYS 4 -6.537 -7.475 -25.495 33 HG2 LYS 4 2HG LYS 4 -5.668 -7.473 -23.188 34 HG3 LYS 4 3HG LYS 4 -5.832 -9.230 -23.145 35 HD2 LYS 4 2HD LYS 4 -4.231 -9.454 -24.968 36 HD3 LYS 4 3HD LYS 4 -4.112 -7.698 -25.108 37 HE2 LYS 4 2HE LYS 4 -3.189 -7.578 -22.841 38 HE3 LYS 4 3HE LYS 4 -3.318 -9.330 -22.693 39 HZ1 LYS 4 3HZ LYS 4 -1.073 -8.599 -23.268 40 HZ2 LYS 4 1HZ LYS 4 -1.650 -7.912 -24.702 41 HZ3 LYS 4 2HZ LYS 4 -1.734 -9.585 -24.471 42 H LEU 5 H LEU 5 -8.286 -8.736 -21.771 43 HA LEU 5 HA LEU 5 -9.034 -11.518 -22.197 44 HB2 LEU 5 2HB LEU 5 -8.509 -9.945 -19.671 45 HB3 LEU 5 3HB LEU 5 -8.981 -11.630 -19.678 46 HG LEU 5 HG LEU 5 -6.642 -11.589 -19.340 47 HD11 LEU 5 1HD1 LEU 5 -5.761 -12.777 -21.271 48 HD12 LEU 5 2HD1 LEU 5 -7.120 -12.220 -22.249 49 HD13 LEU 5 3HD1 LEU 5 -7.401 -13.304 -20.888 50 HD21 LEU 5 3HD2 LEU 5 -6.418 -9.754 -21.726 51 HD22 LEU 5 1HD2 LEU 5 -5.066 -10.438 -20.824 52 HD23 LEU 5 2HD2 LEU 5 -6.173 -9.315 -20.036 53 H LEU 6 H LEU 6 -10.718 -8.638 -21.965 54 HA LEU 6 HA LEU 6 -12.937 -9.565 -20.358 55 HB2 LEU 6 2HB LEU 6 -12.694 -7.081 -22.056 56 HB3 LEU 6 3HB LEU 6 -13.943 -7.396 -20.864 57 HG LEU 6 HG LEU 6 -10.996 -7.000 -20.287 58 HD11 LEU 6 1HD1 LEU 6 -11.731 -4.934 -19.186 59 HD12 LEU 6 2HD1 LEU 6 -13.384 -5.239 -19.723 60 HD13 LEU 6 3HD1 LEU 6 -12.113 -4.931 -20.907 61 HD21 LEU 6 3HD2 LEU 6 -11.664 -7.032 -17.917 62 HD22 LEU 6 1HD2 LEU 6 -11.957 -8.579 -18.712 63 HD23 LEU 6 2HD2 LEU 6 -13.301 -7.482 -18.395 64 H HIS 7 H HIS 7 -12.085 -10.205 -23.499 65 HA HIS 7 HA HIS 7 -14.447 -9.675 -24.945 66 HB2 HIS 7 2HB HIS 7 -12.121 -10.174 -25.863 67 HB3 HIS 7 3HB HIS 7 -12.487 -11.876 -25.608 68 HD1 HIS 7 HD1 HIS 7 -13.222 -8.999 -27.844 69 HD2 HIS 7 HD2 HIS 7 -14.460 -12.942 -27.372 70 HE1 HIS 7 HE1 HIS 7 -14.478 -9.569 -29.940 71 HE2 HIS 7 HE2 HIS 7 -15.302 -11.916 -29.598 72 H LEU 8 H LEU 8 -13.308 -12.779 -23.522 73 HA LEU 8 HA LEU 8 -15.987 -13.901 -23.998 74 HB2 LEU 8 2HB LEU 8 -13.410 -15.290 -23.234 75 HB3 LEU 8 3HB LEU 8 -14.949 -16.099 -23.426 76 HG LEU 8 HG LEU 8 -13.737 -16.527 -25.402 77 HD11 LEU 8 1HD1 LEU 8 -15.634 -14.261 -26.012 78 HD12 LEU 8 2HD1 LEU 8 -16.071 -15.957 -25.796 79 HD13 LEU 8 3HD1 LEU 8 -15.058 -15.475 -27.155 80 HD21 LEU 8 3HD2 LEU 8 -13.156 -13.567 -25.591 81 HD22 LEU 8 1HD2 LEU 8 -12.702 -14.786 -26.784 82 HD23 LEU 8 2HD2 LEU 8 -12.007 -14.836 -25.166 83 H LEU 9 H LEU 9 -13.701 -14.750 -21.404 84 HA LEU 9 HA LEU 9 -15.746 -14.039 -19.401 85 HB2 LEU 9 2HB LEU 9 -15.771 -16.508 -20.129 86 HB3 LEU 9 3HB LEU 9 -14.227 -16.654 -19.318 87 HG LEU 9 HG LEU 9 -16.699 -15.701 -17.859 88 HD11 LEU 9 1HD1 LEU 9 -17.237 -17.861 -18.827 89 HD12 LEU 9 2HD1 LEU 9 -17.007 -18.008 -17.087 90 HD13 LEU 9 3HD1 LEU 9 -15.740 -18.544 -18.191 91 HD21 LEU 9 3HD2 LEU 9 -15.499 -16.510 -15.885 92 HD22 LEU 9 1HD2 LEU 9 -14.557 -15.295 -16.748 93 HD23 LEU 9 2HD2 LEU 9 -14.142 -17.001 -16.900 94 H CYS 10 H CYS 10 -14.914 -13.401 -17.380 95 HA CYS 10 HA CYS 10 -11.988 -12.953 -17.344 96 HB2 CYS 10 2HB CYS 10 -14.126 -11.057 -16.343 97 HB3 CYS 10 3HB CYS 10 -12.389 -10.764 -16.348 98 HG CYS 10 HG CYS 10 -12.612 -11.292 -19.337 99 H SER 11 H SER 11 -11.049 -12.528 -15.222 100 HA SER 11 HA SER 11 -12.282 -14.174 -13.116 101 HB2 SER 11 2HB SER 11 -9.996 -14.195 -12.115 102 HB3 SER 11 3HB SER 11 -10.021 -14.844 -13.754 103 HG SER 11 HG SER 11 -9.005 -12.373 -12.826 104 HA PRO 12 HA PRO 12 -12.825 -10.495 -10.618 105 HB2 PRO 12 2HB PRO 12 -13.349 -11.609 -8.234 106 HB3 PRO 12 3HB PRO 12 -14.470 -11.772 -9.591 107 HG2 PRO 12 2HG PRO 12 -12.473 -13.738 -8.537 108 HG3 PRO 12 3HG PRO 12 -14.128 -14.023 -9.101 109 HD2 PRO 12 2HD PRO 12 -11.847 -14.457 -10.614 110 HD3 PRO 12 3HD PRO 12 -13.469 -14.192 -11.287 111 H ASP 13 H ASP 13 -10.376 -10.159 -11.040 112 HA ASP 13 HA ASP 13 -8.375 -10.842 -9.233 113 HB2 ASP 13 2HB ASP 13 -8.723 -8.291 -10.829 114 HB3 ASP 13 3HB ASP 13 -7.236 -8.745 -10.005 115 H THR 14 H THR 14 -10.767 -8.262 -9.030 116 HA THR 14 HA THR 14 -9.663 -6.994 -6.714 117 HB THR 14 HB THR 14 -11.153 -5.747 -8.192 118 HG1 THR 14 HG1 THR 14 -11.610 -6.023 -5.477 119 HG21 THR 14 3HG2 THR 14 -13.578 -6.193 -8.225 120 HG22 THR 14 1HG2 THR 14 -13.320 -7.640 -7.250 121 HG23 THR 14 2HG2 THR 14 -12.661 -7.547 -8.884 122 H ARG 15 H ARG 15 -11.348 -9.909 -7.101 123 HA ARG 15 HA ARG 15 -12.079 -9.939 -4.239 124 HB2 ARG 15 2HB ARG 15 -14.039 -10.024 -5.793 125 HB3 ARG 15 3HB ARG 15 -13.404 -11.522 -6.458 126 HG2 ARG 15 2HG ARG 15 -13.600 -12.569 -4.229 127 HG3 ARG 15 3HG ARG 15 -14.300 -11.070 -3.613 128 HD2 ARG 15 2HD ARG 15 -16.122 -11.290 -5.292 129 HD3 ARG 15 3HD ARG 15 -15.446 -12.850 -5.770 130 HE ARG 15 HE ARG 15 -16.005 -12.665 -2.964 131 HH11 ARG 15 1HH1 ARG 15 -17.313 -13.461 -6.063 132 HH12 ARG 15 2HH1 ARG 15 -18.625 -14.364 -5.386 133 HH21 ARG 15 1HH2 ARG 15 -17.679 -13.820 -2.122 134 HH22 ARG 15 2HH2 ARG 15 -18.848 -14.545 -3.178 135 H GLN 16 H GLN 16 -9.838 -10.618 -3.944 136 HA GLN 16 HA GLN 16 -9.521 -13.529 -4.304 137 HB2 GLN 16 2HB GLN 16 -7.484 -11.356 -4.803 138 HB3 GLN 16 3HB GLN 16 -6.995 -13.005 -4.450 139 HG2 GLN 16 2HG GLN 16 -8.714 -12.141 -6.774 140 HG3 GLN 16 3HG GLN 16 -7.000 -12.553 -6.850 141 HE21 GLN 16 1HE2 GLN 16 -10.220 -13.772 -6.613 142 HE22 GLN 16 2HE2 GLN 16 -9.820 -15.442 -6.803 143 HA PRO 17 HA PRO 17 -8.586 -14.012 0.024 144 HB2 PRO 17 2HB PRO 17 -5.980 -15.184 -0.878 145 HB3 PRO 17 3HB PRO 17 -7.154 -15.815 0.284 146 HG2 PRO 17 2HG PRO 17 -7.025 -16.826 -2.167 147 HG3 PRO 17 3HG PRO 17 -8.596 -16.565 -1.383 148 HD2 PRO 17 2HD PRO 17 -7.273 -14.991 -3.550 149 HD3 PRO 17 3HD PRO 17 -8.997 -15.332 -3.291 150 H LEU 18 H LEU 18 -8.147 -12.152 1.086 151 HA LEU 18 HA LEU 18 -5.724 -10.629 0.539 152 HB2 LEU 18 2HB LEU 18 -8.078 -10.151 2.367 153 HB3 LEU 18 3HB LEU 18 -6.681 -9.091 2.313 154 HG LEU 18 HG LEU 18 -8.465 -9.672 -0.061 155 HD11 LEU 18 1HD1 LEU 18 -9.702 -8.452 1.652 156 HD12 LEU 18 2HD1 LEU 18 -9.350 -7.413 0.273 157 HD13 LEU 18 3HD1 LEU 18 -8.407 -7.260 1.757 158 HD21 LEU 18 3HD2 LEU 18 -6.297 -7.607 0.352 159 HD22 LEU 18 1HD2 LEU 18 -7.299 -7.791 -1.091 160 HD23 LEU 18 2HD2 LEU 18 -6.159 -9.061 -0.641 161 H SER 19 H SER 19 -3.907 -10.762 1.678 162 HA SER 19 HA SER 19 -3.964 -11.988 4.370 163 HB2 SER 19 2HB SER 19 -2.025 -12.600 2.123 164 HB3 SER 19 3HB SER 19 -1.776 -13.099 3.796 165 HG SER 19 HG SER 19 -3.679 -14.332 3.659 166 H LEU 20 H LEU 20 -1.795 -11.607 5.535 167 HA LEU 20 HA LEU 20 -1.293 -8.812 5.641 168 HB2 LEU 20 2HB LEU 20 -1.065 -10.650 7.482 169 HB3 LEU 20 3HB LEU 20 0.541 -10.885 6.829 170 HG LEU 20 HG LEU 20 0.478 -9.433 8.848 171 HD11 LEU 20 1HD1 LEU 20 2.325 -9.226 7.267 172 HD12 LEU 20 2HD1 LEU 20 1.938 -7.680 8.018 173 HD13 LEU 20 3HD1 LEU 20 1.422 -8.007 6.363 174 HD21 LEU 20 3HD2 LEU 20 -0.406 -7.176 8.708 175 HD22 LEU 20 1HD2 LEU 20 -1.684 -8.357 8.416 176 HD23 LEU 20 2HD2 LEU 20 -0.972 -7.476 7.065 177 H LEU 21 H LEU 21 0.071 -7.617 4.467 178 HA LEU 21 HA LEU 21 1.500 -8.613 2.274 179 HB2 LEU 21 2HB LEU 21 0.679 -6.342 2.352 180 HB3 LEU 21 3HB LEU 21 1.710 -5.973 3.720 181 HG LEU 21 HG LEU 21 3.704 -6.215 2.292 182 HD11 LEU 21 1HD1 LEU 21 3.463 -6.405 -0.143 183 HD12 LEU 21 2HD1 LEU 21 1.734 -6.681 0.055 184 HD13 LEU 21 3HD1 LEU 21 2.893 -7.847 0.695 185 HD21 LEU 21 3HD2 LEU 21 1.633 -4.332 1.157 186 HD22 LEU 21 1HD2 LEU 21 3.379 -4.203 0.942 187 HD23 LEU 21 2HD2 LEU 21 2.673 -4.016 2.547 188 H GLU 22 H GLU 22 3.505 -9.391 2.004 189 HA GLU 22 HA GLU 22 5.199 -10.170 4.041 190 HB2 GLU 22 2HB GLU 22 5.377 -11.064 1.785 191 HB3 GLU 22 3HB GLU 22 5.880 -9.499 1.168 192 HG2 GLU 22 2HG GLU 22 7.743 -11.100 1.401 193 HG3 GLU 22 3HG GLU 22 7.969 -9.632 2.350 194 H SER 23 H SER 23 6.752 -9.223 5.249 195 HA SER 23 HA SER 23 6.794 -6.491 5.690 196 HB2 SER 23 2HB SER 23 7.628 -8.090 7.335 197 HB3 SER 23 3HB SER 23 8.981 -8.502 6.284 198 HG SER 23 HG SER 23 8.472 -5.966 7.479 199 H LYS 24 H LYS 24 8.974 -8.384 3.639 200 HA LYS 24 HA LYS 24 10.766 -6.279 3.026 201 HB2 LYS 24 2HB LYS 24 10.131 -8.724 1.355 202 HB3 LYS 24 3HB LYS 24 11.585 -7.735 1.254 203 HG2 LYS 24 2HG LYS 24 10.733 -9.400 3.622 204 HG3 LYS 24 3HG LYS 24 12.011 -9.801 2.474 205 HD2 LYS 24 2HD LYS 24 13.375 -8.000 3.220 206 HD3 LYS 24 3HD LYS 24 12.044 -7.269 4.118 207 HE2 LYS 24 2HE LYS 24 13.701 -8.416 5.567 208 HE3 LYS 24 3HE LYS 24 12.066 -9.055 5.724 209 HZ1 LYS 24 3HZ LYS 24 14.211 -10.273 4.075 210 HZ2 LYS 24 1HZ LYS 24 12.663 -10.905 4.335 211 HZ3 LYS 24 2HZ LYS 24 13.757 -10.795 5.617 212 H GLY 25 H GLY 25 7.713 -7.277 1.579 213 HA2 GLY 25 2HA GLY 25 7.807 -5.346 -0.562 214 HA3 GLY 25 3HA GLY 25 6.386 -6.225 -0.010 215 H LEU 26 H LEU 26 6.360 -5.459 2.667 216 HA LEU 26 HA LEU 26 4.847 -3.128 2.597 217 HB2 LEU 26 2HB LEU 26 4.667 -4.833 4.338 218 HB3 LEU 26 3HB LEU 26 6.263 -4.414 4.936 219 HG LEU 26 HG LEU 26 5.427 -2.177 5.577 220 HD11 LEU 26 1HD1 LEU 26 3.647 -1.930 3.937 221 HD12 LEU 26 2HD1 LEU 26 3.010 -1.738 5.571 222 HD13 LEU 26 3HD1 LEU 26 2.742 -3.245 4.693 223 HD21 LEU 26 3HD2 LEU 26 5.436 -3.987 7.213 224 HD22 LEU 26 1HD2 LEU 26 3.825 -4.485 6.697 225 HD23 LEU 26 2HD2 LEU 26 4.061 -2.917 7.471 226 H GLU 27 H GLU 27 8.285 -3.542 3.431 227 HA GLU 27 HA GLU 27 8.812 -0.938 4.276 228 HB2 GLU 27 2HB GLU 27 11.115 -1.334 3.859 229 HB3 GLU 27 3HB GLU 27 10.440 -2.890 4.317 230 HG2 GLU 27 2HG GLU 27 10.430 -3.614 2.018 231 HG3 GLU 27 3HG GLU 27 10.931 -2.021 1.472 232 H ALA 28 H ALA 28 8.661 -2.275 0.989 233 HA ALA 28 HA ALA 28 9.617 -0.035 -0.410 234 HB1 ALA 28 3HB ALA 28 8.568 -1.018 -2.374 235 HB2 ALA 28 1HB ALA 28 7.611 -2.086 -1.349 236 HB3 ALA 28 2HB ALA 28 9.365 -2.260 -1.410 237 H LEU 29 H LEU 29 6.355 -0.855 0.687 238 HA LEU 29 HA LEU 29 4.947 1.256 -0.530 239 HB2 LEU 29 2HB LEU 29 4.465 -0.357 1.966 240 HB3 LEU 29 3HB LEU 29 3.400 0.969 1.547 241 HG LEU 29 HG LEU 29 2.492 -1.210 0.853 242 HD11 LEU 29 1HD1 LEU 29 3.233 0.559 -1.475 243 HD12 LEU 29 2HD1 LEU 29 1.869 0.801 -0.378 244 HD13 LEU 29 3HD1 LEU 29 1.914 -0.612 -1.434 245 HD21 LEU 29 3HD2 LEU 29 4.871 -1.355 -1.003 246 HD22 LEU 29 1HD2 LEU 29 3.506 -2.472 -0.972 247 HD23 LEU 29 2HD2 LEU 29 4.600 -2.377 0.406 248 H ASN 30 H ASN 30 6.300 1.071 2.780 249 HA ASN 30 HA ASN 30 5.666 3.744 3.468 250 HB2 ASN 30 2HB ASN 30 7.705 1.826 4.609 251 HB3 ASN 30 3HB ASN 30 7.361 3.404 5.312 252 HD21 ASN 30 1HD2 ASN 30 6.159 0.187 4.766 253 HD22 ASN 30 2HD2 ASN 30 4.804 0.310 5.831 254 H LYS 31 H LYS 31 8.646 2.325 2.172 255 HA LYS 31 HA LYS 31 10.234 4.634 2.117 256 HB2 LYS 31 2HB LYS 31 10.207 2.229 0.267 257 HB3 LYS 31 3HB LYS 31 11.483 3.441 0.290 258 HG2 LYS 31 2HG LYS 31 12.283 2.759 2.356 259 HG3 LYS 31 3HG LYS 31 10.757 2.006 2.814 260 HD2 LYS 31 2HD LYS 31 12.358 0.269 2.386 261 HD3 LYS 31 3HD LYS 31 11.164 0.252 1.089 262 HE2 LYS 31 2HE LYS 31 12.731 1.458 -0.359 263 HE3 LYS 31 3HE LYS 31 13.915 1.474 0.946 264 HZ1 LYS 31 3HZ LYS 31 13.784 -1.010 0.910 265 HZ2 LYS 31 1HZ LYS 31 14.477 -0.314 -0.469 266 HZ3 LYS 31 2HZ LYS 31 12.888 -0.884 -0.524 267 H ALA 32 H ALA 32 7.791 3.440 -0.141 268 HA ALA 32 HA ALA 32 8.220 5.478 -2.117 269 HB1 ALA 32 3HB ALA 32 6.179 4.653 -3.144 270 HB2 ALA 32 1HB ALA 32 5.807 3.713 -1.696 271 HB3 ALA 32 2HB ALA 32 7.218 3.308 -2.673 272 H ILE 33 H ILE 33 6.163 5.155 0.722 273 HA ILE 33 HA ILE 33 4.527 7.421 0.359 274 HB ILE 33 HB ILE 33 5.507 6.058 2.873 275 HG12 ILE 33 2HG1 ILE 33 2.806 6.088 1.491 276 HG13 ILE 33 3HG1 ILE 33 3.971 4.771 1.427 277 HG21 ILE 33 1HG2 ILE 33 3.478 8.287 2.668 278 HG22 ILE 33 2HG2 ILE 33 5.059 8.379 3.441 279 HG23 ILE 33 3HG2 ILE 33 3.810 7.336 4.115 280 HD11 ILE 33 3HD1 ILE 33 3.709 4.430 3.830 281 HD12 ILE 33 1HD1 ILE 33 2.173 4.285 2.974 282 HD13 ILE 33 2HD1 ILE 33 2.539 5.750 3.889 283 H VAL 34 H VAL 34 7.628 7.094 2.116 284 HA VAL 34 HA VAL 34 7.994 9.803 2.751 285 HB VAL 34 HB VAL 34 10.123 7.729 2.136 286 HG11 VAL 34 1HG1 VAL 34 11.605 9.115 3.514 287 HG12 VAL 34 2HG1 VAL 34 10.326 10.319 3.683 288 HG13 VAL 34 3HG1 VAL 34 11.031 9.996 2.099 289 HG21 VAL 34 3HG2 VAL 34 10.190 7.382 4.573 290 HG22 VAL 34 1HG2 VAL 34 8.616 6.970 3.890 291 HG23 VAL 34 2HG2 VAL 34 8.829 8.490 4.761 292 H SER 35 H SER 35 8.801 7.973 -0.158 293 HA SER 35 HA SER 35 10.096 10.063 -1.575 294 HB2 SER 35 2HB SER 35 10.264 7.691 -2.239 295 HB3 SER 35 3HB SER 35 8.554 7.688 -2.673 296 HG SER 35 HG SER 35 10.563 9.327 -3.853 297 H GLY 36 H GLY 36 6.714 9.253 -1.108 298 HA2 GLY 36 2HA GLY 36 4.881 10.658 -1.383 299 HA3 GLY 36 3HA GLY 36 5.926 11.832 -2.166 300 H THR 37 H THR 37 5.601 8.467 -3.179 301 HA THR 37 HA THR 37 4.324 9.411 -5.683 302 HB THR 37 HB THR 37 6.509 8.453 -6.134 303 HG1 THR 37 HG1 THR 37 5.674 7.523 -7.848 304 HG21 THR 37 3HG2 THR 37 6.704 7.024 -4.132 305 HG22 THR 37 1HG2 THR 37 7.054 6.127 -5.610 306 HG23 THR 37 2HG2 THR 37 5.499 5.925 -4.805 307 H VAL 38 H VAL 38 3.680 7.675 -2.879 308 HA VAL 38 HA VAL 38 2.037 5.601 -3.967 309 HB VAL 38 HB VAL 38 2.067 6.736 -1.159 310 HG11 VAL 38 1HG1 VAL 38 -0.023 5.548 -1.617 311 HG12 VAL 38 2HG1 VAL 38 0.984 4.634 -0.497 312 HG13 VAL 38 3HG1 VAL 38 0.887 4.147 -2.189 313 HG21 VAL 38 3HG2 VAL 38 4.225 5.812 -1.833 314 HG22 VAL 38 1HG2 VAL 38 3.444 4.305 -2.309 315 HG23 VAL 38 2HG2 VAL 38 3.456 4.797 -0.614 316 H GLN 39 H GLN 39 0.516 6.500 -5.359 317 HA GLN 39 HA GLN 39 -1.370 8.475 -4.403 318 HB2 GLN 39 2HB GLN 39 -1.427 6.769 -6.910 319 HB3 GLN 39 3HB GLN 39 -2.540 8.085 -6.554 320 HG2 GLN 39 2HG GLN 39 -0.606 9.643 -6.529 321 HG3 GLN 39 3HG GLN 39 0.429 8.300 -7.016 322 HE21 GLN 39 1HE2 GLN 39 0.225 7.454 -9.094 323 HE22 GLN 39 2HE2 GLN 39 -0.588 8.303 -10.358 324 H ARG 40 H ARG 40 -2.846 7.924 -2.937 325 HA ARG 40 HA ARG 40 -3.849 5.324 -2.459 326 HB2 ARG 40 2HB ARG 40 -3.884 7.280 -0.868 327 HB3 ARG 40 3HB ARG 40 -5.173 7.984 -1.830 328 HG2 ARG 40 2HG ARG 40 -6.666 6.210 -1.258 329 HG3 ARG 40 3HG ARG 40 -5.370 5.298 -0.478 330 HD2 ARG 40 2HD ARG 40 -6.706 6.348 1.224 331 HD3 ARG 40 3HD ARG 40 -5.134 7.143 1.175 332 HE ARG 40 HE ARG 40 -7.626 8.270 0.062 333 HH11 ARG 40 1HH1 ARG 40 -4.518 8.682 1.507 334 HH12 ARG 40 2HH1 ARG 40 -4.666 10.405 1.570 335 HH21 ARG 40 1HH2 ARG 40 -7.807 10.471 0.179 336 HH22 ARG 40 2HH2 ARG 40 -6.510 11.401 0.847 337 H ALA 41 H ALA 41 -5.944 4.396 -3.064 338 HA ALA 41 HA ALA 41 -6.639 4.687 -5.749 339 HB1 ALA 41 3HB ALA 41 -8.594 3.327 -5.288 340 HB2 ALA 41 1HB ALA 41 -8.446 3.654 -3.562 341 HB3 ALA 41 2HB ALA 41 -7.209 2.709 -4.389 342 H ASP 42 H ASP 42 -7.842 6.389 -2.948 343 HA ASP 42 HA ASP 42 -9.954 7.867 -3.927 344 HB2 ASP 42 2HB ASP 42 -9.361 8.173 -1.668 345 HB3 ASP 42 3HB ASP 42 -7.681 8.515 -2.057 346 H GLY 43 H GLY 43 -6.493 8.552 -4.316 347 HA2 GLY 43 2HA GLY 43 -6.003 9.396 -6.687 348 HA3 GLY 43 3HA GLY 43 -7.106 10.690 -6.251 349 H SER 44 H SER 44 -6.256 10.914 -3.515 350 HA SER 44 HA SER 44 -3.994 12.649 -3.908 351 HB2 SER 44 2HB SER 44 -5.801 13.280 -2.362 352 HB3 SER 44 3HB SER 44 -5.429 11.887 -1.348 353 HG SER 44 HG SER 44 -4.122 13.216 -0.374 354 H ILE 45 H ILE 45 -2.020 12.601 -2.657 355 HA ILE 45 HA ILE 45 -0.791 10.012 -2.626 356 HB ILE 45 HB ILE 45 0.258 12.688 -1.669 357 HG12 ILE 45 2HG1 ILE 45 -0.266 12.621 -4.082 358 HG13 ILE 45 3HG1 ILE 45 1.466 12.755 -3.796 359 HG21 ILE 45 1HG2 ILE 45 1.467 10.873 -0.589 360 HG22 ILE 45 2HG2 ILE 45 2.492 11.657 -1.793 361 HG23 ILE 45 3HG2 ILE 45 1.744 10.100 -2.150 362 HD11 ILE 45 3HD1 ILE 45 0.987 11.222 -5.606 363 HD12 ILE 45 1HD1 ILE 45 -0.012 10.238 -4.534 364 HD13 ILE 45 2HD1 ILE 45 1.725 10.375 -4.248 365 H GLN 46 H GLN 46 -0.478 8.654 -0.949 366 HA GLN 46 HA GLN 46 -1.558 9.295 1.653 367 HB2 GLN 46 2HB GLN 46 -1.795 7.031 0.667 368 HB3 GLN 46 3HB GLN 46 -0.049 6.831 0.740 369 HG2 GLN 46 2HG GLN 46 -1.178 5.678 2.576 370 HG3 GLN 46 3HG GLN 46 -0.105 6.949 3.164 371 HE21 GLN 46 1HE2 GLN 46 -1.186 7.130 5.103 372 HE22 GLN 46 2HE2 GLN 46 -2.752 7.849 5.232 373 H ASN 47 H ASN 47 -0.363 10.764 2.756 374 HA ASN 47 HA ASN 47 2.546 10.730 2.635 375 HB2 ASN 47 2HB ASN 47 0.618 12.602 4.024 376 HB3 ASN 47 3HB ASN 47 2.368 12.811 3.996 377 HD21 ASN 47 1HD2 ASN 47 -0.556 12.914 2.114 378 HD22 ASN 47 2HD2 ASN 47 0.120 13.732 0.757 379 H GLN 48 H GLN 48 0.052 9.761 4.861 380 HA GLN 48 HA GLN 48 1.885 9.542 7.110 381 HB2 GLN 48 2HB GLN 48 -0.987 8.618 6.848 382 HB3 GLN 48 3HB GLN 48 -0.052 8.650 8.339 383 HG2 GLN 48 2HG GLN 48 -0.756 11.076 6.691 384 HG3 GLN 48 3HG GLN 48 -1.634 10.534 8.116 385 HE21 GLN 48 1HE2 GLN 48 -1.244 12.416 9.250 386 HE22 GLN 48 2HE2 GLN 48 0.319 12.832 9.859 387 H SER 49 H SER 49 3.121 7.827 7.528 388 HA SER 49 HA SER 49 3.238 5.626 5.736 389 HB2 SER 49 2HB SER 49 5.035 4.778 7.219 390 HB3 SER 49 3HB SER 49 5.257 6.478 6.810 391 HG SER 49 HG SER 49 5.593 6.315 8.981 392 H LEU 50 H LEU 50 3.038 3.368 6.200 393 HA LEU 50 HA LEU 50 1.127 2.741 8.353 394 HB2 LEU 50 2HB LEU 50 0.277 0.960 6.606 395 HB3 LEU 50 3HB LEU 50 -0.330 2.601 6.608 396 HG LEU 50 HG LEU 50 1.351 3.116 4.772 397 HD11 LEU 50 1HD1 LEU 50 2.165 1.224 3.443 398 HD12 LEU 50 2HD1 LEU 50 1.577 0.109 4.678 399 HD13 LEU 50 3HD1 LEU 50 2.867 1.251 5.059 400 HD21 LEU 50 3HD2 LEU 50 -0.789 1.070 4.179 401 HD22 LEU 50 1HD2 LEU 50 -0.052 2.173 3.015 402 HD23 LEU 50 2HD2 LEU 50 -1.031 2.811 4.336 403 H HIS 51 H HIS 51 1.816 1.244 9.718 404 HA HIS 51 HA HIS 51 4.250 -0.225 9.143 405 HB2 HIS 51 2HB HIS 51 2.514 -0.199 11.621 406 HB3 HIS 51 3HB HIS 51 4.089 -0.971 11.492 407 HD1 HIS 51 HD1 HIS 51 6.164 0.685 11.138 408 HD2 HIS 51 HD2 HIS 51 2.573 2.487 12.222 409 HE1 HIS 51 HE1 HIS 51 6.775 2.991 11.918 410 HE2 HIS 51 HE2 HIS 51 4.598 4.061 12.580 411 H GLU 52 H GLU 52 0.986 -0.837 8.660 412 HA GLU 52 HA GLU 52 1.499 -3.669 8.175 413 HB2 GLU 52 2HB GLU 52 -0.709 -2.671 9.992 414 HB3 GLU 52 3HB GLU 52 -0.676 -4.291 9.303 415 HG2 GLU 52 2HG GLU 52 1.318 -4.838 10.500 416 HG3 GLU 52 3HG GLU 52 1.526 -3.172 11.030 417 H ALA 53 H ALA 53 0.319 -4.516 6.491 418 HA ALA 53 HA ALA 53 -1.830 -2.967 5.279 419 HB1 ALA 53 3HB ALA 53 -0.736 -2.756 3.120 420 HB2 ALA 53 1HB ALA 53 0.714 -3.540 3.753 421 HB3 ALA 53 2HB ALA 53 0.225 -1.961 4.371 422 H LEU 54 H LEU 54 -2.846 -4.082 3.447 423 HA LEU 54 HA LEU 54 -2.702 -7.020 3.721 424 HB2 LEU 54 2HB LEU 54 -4.932 -5.304 2.618 425 HB3 LEU 54 3HB LEU 54 -4.981 -7.046 2.819 426 HG LEU 54 HG LEU 54 -4.725 -5.071 5.094 427 HD11 LEU 54 1HD1 LEU 54 -6.888 -4.902 3.912 428 HD12 LEU 54 2HD1 LEU 54 -7.050 -5.500 5.558 429 HD13 LEU 54 3HD1 LEU 54 -7.159 -6.622 4.202 430 HD21 LEU 54 3HD2 LEU 54 -3.756 -7.224 5.635 431 HD22 LEU 54 1HD2 LEU 54 -5.203 -8.056 5.062 432 HD23 LEU 54 2HD2 LEU 54 -5.284 -7.029 6.493 433 H ILE 55 H ILE 55 -2.265 -8.289 1.970 434 HA ILE 55 HA ILE 55 -1.784 -6.928 -0.603 435 HB ILE 55 HB ILE 55 0.242 -7.895 0.366 436 HG12 ILE 55 2HG1 ILE 55 0.924 -9.351 -1.540 437 HG13 ILE 55 3HG1 ILE 55 -0.757 -9.431 -2.052 438 HG21 ILE 55 1HG2 ILE 55 0.484 -10.339 0.636 439 HG22 ILE 55 2HG2 ILE 55 -1.238 -10.528 0.293 440 HG23 ILE 55 3HG2 ILE 55 -0.716 -9.649 1.731 441 HD11 ILE 55 3HD1 ILE 55 0.556 -7.836 -3.359 442 HD12 ILE 55 1HD1 ILE 55 0.899 -6.919 -1.893 443 HD13 ILE 55 2HD1 ILE 55 -0.758 -7.045 -2.488 444 H THR 56 H THR 56 -2.836 -7.586 -2.404 445 HA THR 56 HA THR 56 -4.838 -9.666 -2.308 446 HB THR 56 HB THR 56 -5.074 -9.185 -4.788 447 HG1 THR 56 HG1 THR 56 -3.288 -7.029 -4.237 448 HG21 THR 56 3HG2 THR 56 -6.075 -6.963 -4.476 449 HG22 THR 56 1HG2 THR 56 -5.248 -6.805 -2.926 450 HG23 THR 56 2HG2 THR 56 -6.484 -8.045 -3.145 451 H ARG 57 H ARG 57 -4.828 -11.649 -3.436 452 HA ARG 57 HA ARG 57 -2.475 -13.110 -3.214 453 HB2 ARG 57 2HB ARG 57 -4.679 -14.145 -3.150 454 HB3 ARG 57 3HB ARG 57 -4.937 -13.761 -4.847 455 HG2 ARG 57 2HG ARG 57 -3.143 -15.267 -5.493 456 HG3 ARG 57 3HG ARG 57 -2.779 -15.596 -3.799 457 HD2 ARG 57 2HD ARG 57 -4.981 -16.600 -3.504 458 HD3 ARG 57 3HD ARG 57 -5.393 -16.227 -5.178 459 HE ARG 57 HE ARG 57 -3.430 -17.743 -5.733 460 HH11 ARG 57 1HH1 ARG 57 -5.286 -18.139 -2.861 461 HH12 ARG 57 2HH1 ARG 57 -5.068 -19.850 -2.829 462 HH21 ARG 57 1HH2 ARG 57 -3.133 -19.946 -5.653 463 HH22 ARG 57 2HH2 ARG 57 -3.865 -20.859 -4.376 464 H ASP 58 H ASP 58 -3.794 -11.535 -6.109 465 HA ASP 58 HA ASP 58 -1.558 -12.579 -7.694 466 HB2 ASP 58 2HB ASP 58 -3.942 -10.921 -8.548 467 HB3 ASP 58 3HB ASP 58 -2.734 -11.618 -9.628 468 H ARG 59 H ARG 59 -1.551 -10.321 -5.559 469 HA ARG 59 HA ARG 59 -0.421 -8.400 -5.148 470 HB2 ARG 59 2HB ARG 59 1.133 -9.535 -7.458 471 HB3 ARG 59 3HB ARG 59 1.587 -7.991 -6.754 472 HG2 ARG 59 2HG ARG 59 2.924 -9.757 -5.803 473 HG3 ARG 59 3HG ARG 59 1.871 -9.077 -4.567 474 HD2 ARG 59 2HD ARG 59 0.320 -10.987 -4.894 475 HD3 ARG 59 3HD ARG 59 1.453 -11.672 -6.061 476 HE ARG 59 HE ARG 59 2.943 -11.286 -3.802 477 HH11 ARG 59 1HH1 ARG 59 0.084 -13.055 -4.554 478 HH12 ARG 59 2HH1 ARG 59 0.332 -14.209 -3.294 479 HH21 ARG 59 1HH2 ARG 59 3.280 -12.789 -2.232 480 HH22 ARG 59 2HH2 ARG 59 2.136 -14.065 -1.991 481 H LYS 60 H LYS 60 -2.809 -8.005 -6.544 482 HA LYS 60 HA LYS 60 -2.333 -6.091 -8.674 483 HB2 LYS 60 2HB LYS 60 -4.954 -6.767 -7.311 484 HB3 LYS 60 3HB LYS 60 -4.747 -5.939 -8.849 485 HG2 LYS 60 2HG LYS 60 -4.055 -8.816 -8.261 486 HG3 LYS 60 3HG LYS 60 -5.435 -8.239 -9.195 487 HD2 LYS 60 2HD LYS 60 -2.550 -7.736 -9.955 488 HD3 LYS 60 3HD LYS 60 -3.510 -9.080 -10.569 489 HE2 LYS 60 2HE LYS 60 -4.213 -6.160 -10.904 490 HE3 LYS 60 3HE LYS 60 -3.413 -7.149 -12.125 491 HZ1 LYS 60 3HZ LYS 60 -6.176 -7.402 -11.094 492 HZ2 LYS 60 1HZ LYS 60 -5.421 -8.656 -11.948 493 HZ3 LYS 60 2HZ LYS 60 -5.670 -7.156 -12.685 494 H GLN 61 H GLN 61 -4.125 -5.879 -5.579 495 HA GLN 61 HA GLN 61 -3.186 -3.093 -5.306 496 HB2 GLN 61 2HB GLN 61 -5.951 -4.149 -4.667 497 HB3 GLN 61 3HB GLN 61 -5.385 -2.528 -4.293 498 HG2 GLN 61 2HG GLN 61 -5.059 -2.103 -6.697 499 HG3 GLN 61 3HG GLN 61 -5.680 -3.712 -7.051 500 HE21 GLN 61 1HE2 GLN 61 -6.488 -0.501 -5.986 501 HE22 GLN 61 2HE2 GLN 61 -8.199 -0.666 -6.154 502 H VAL 62 H VAL 62 -3.477 -2.244 -3.046 503 HA VAL 62 HA VAL 62 -3.010 -4.269 -0.956 504 HB VAL 62 HB VAL 62 -1.292 -1.820 -1.458 505 HG11 VAL 62 1HG1 VAL 62 0.036 -2.557 0.485 506 HG12 VAL 62 2HG1 VAL 62 -1.152 -3.822 0.804 507 HG13 VAL 62 3HG1 VAL 62 -1.615 -2.126 0.937 508 HG21 VAL 62 3HG2 VAL 62 -0.744 -3.680 -2.940 509 HG22 VAL 62 1HG2 VAL 62 -0.599 -4.760 -1.553 510 HG23 VAL 62 2HG2 VAL 62 0.541 -3.430 -1.759 511 H PHE 63 H PHE 63 -3.798 -3.709 1.081 512 HA PHE 63 HA PHE 63 -5.271 -1.145 1.265 513 HB2 PHE 63 2HB PHE 63 -5.891 -3.805 2.574 514 HB3 PHE 63 3HB PHE 63 -6.748 -2.308 2.920 515 HD1 PHE 63 HD2 PHE 63 -6.139 -4.910 0.382 516 HD2 PHE 63 HD1 PHE 63 -8.371 -1.425 1.398 517 HE1 PHE 63 HE2 PHE 63 -7.696 -5.367 -1.470 518 HE2 PHE 63 HE1 PHE 63 -9.928 -1.882 -0.446 519 HZ PHE 63 HZ PHE 63 -9.594 -3.855 -1.884 520 H ARG 64 H ARG 64 -5.555 -0.311 3.517 521 HA ARG 64 HA ARG 64 -3.031 -0.559 5.011 522 HB2 ARG 64 2HB ARG 64 -3.547 1.686 4.278 523 HB3 ARG 64 3HB ARG 64 -5.158 1.599 4.969 524 HG2 ARG 64 2HG ARG 64 -4.332 1.754 7.178 525 HG3 ARG 64 3HG ARG 64 -2.677 1.418 6.669 526 HD2 ARG 64 2HD ARG 64 -3.174 3.826 7.236 527 HD3 ARG 64 3HD ARG 64 -2.457 3.552 5.651 528 HE ARG 64 HE ARG 64 -5.036 3.608 5.018 529 HH11 ARG 64 1HH1 ARG 64 -3.270 5.719 7.108 530 HH12 ARG 64 2HH1 ARG 64 -4.252 7.084 6.716 531 HH21 ARG 64 1HH2 ARG 64 -6.241 5.366 4.513 532 HH22 ARG 64 2HH2 ARG 64 -5.904 6.892 5.254 533 H ILE 65 H ILE 65 -3.099 -0.578 7.386 534 HA ILE 65 HA ILE 65 -5.608 -1.683 8.505 535 HB ILE 65 HB ILE 65 -2.776 -2.548 9.150 536 HG12 ILE 65 2HG1 ILE 65 -5.060 -4.068 7.856 537 HG13 ILE 65 3HG1 ILE 65 -3.638 -3.454 7.023 538 HG21 ILE 65 1HG2 ILE 65 -5.379 -3.510 10.354 539 HG22 ILE 65 2HG2 ILE 65 -4.144 -2.550 11.170 540 HG23 ILE 65 3HG2 ILE 65 -3.783 -4.197 10.662 541 HD11 ILE 65 3HD1 ILE 65 -3.649 -5.571 9.168 542 HD12 ILE 65 1HD1 ILE 65 -2.224 -4.956 8.331 543 HD13 ILE 65 2HD1 ILE 65 -3.460 -5.837 7.436 544 H GLU 66 H GLU 66 -6.347 -0.741 10.333 545 HA GLU 66 HA GLU 66 -4.483 0.789 12.033 546 HB2 GLU 66 2HB GLU 66 -6.124 2.556 12.368 547 HB3 GLU 66 3HB GLU 66 -5.756 2.406 10.654 548 HG2 GLU 66 2HG GLU 66 -7.836 1.330 10.216 549 HG3 GLU 66 3HG GLU 66 -8.172 1.132 11.933 550 H ASP 67 H ASP 67 -4.857 0.613 14.244 551 HA ASP 67 HA ASP 67 -5.581 -0.316 16.197 552 HB2 ASP 67 2HB ASP 67 -7.596 1.077 15.556 553 HB3 ASP 67 3HB ASP 67 -8.307 -0.379 14.869 554 H SER 68 H SER 68 -4.608 -2.057 14.102 555 HA SER 68 HA SER 68 -4.327 -4.256 13.600 556 HB2 SER 68 2HB SER 68 -6.114 -4.789 15.992 557 HB3 SER 68 3HB SER 68 -5.106 -5.984 15.176 558 HG SER 68 HG SER 68 -3.323 -5.083 16.005 559 H ILE 69 H ILE 69 -7.111 -2.672 13.168 560 HA ILE 69 HA ILE 69 -8.721 -4.902 12.189 561 HB ILE 69 HB ILE 69 -9.337 -1.939 12.306 562 HG12 ILE 69 2HG1 ILE 69 -9.162 -2.920 14.539 563 HG13 ILE 69 3HG1 ILE 69 -10.843 -2.557 14.172 564 HG21 ILE 69 1HG2 ILE 69 -10.588 -2.967 10.515 565 HG22 ILE 69 2HG2 ILE 69 -11.676 -2.629 11.861 566 HG23 ILE 69 3HG2 ILE 69 -11.109 -4.275 11.579 567 HD11 ILE 69 3HD1 ILE 69 -10.655 -4.682 15.300 568 HD12 ILE 69 1HD1 ILE 69 -9.548 -5.272 14.063 569 HD13 ILE 69 2HD1 ILE 69 -11.228 -4.924 13.652 570 HA PRO 70 HA PRO 70 -7.070 -4.304 8.045 571 HB2 PRO 70 2HB PRO 70 -9.332 -6.016 7.210 572 HB3 PRO 70 3HB PRO 70 -7.597 -6.290 7.047 573 HG2 PRO 70 2HG PRO 70 -9.075 -7.688 8.792 574 HG3 PRO 70 3HG PRO 70 -7.403 -7.217 9.153 575 HD2 PRO 70 2HD PRO 70 -9.967 -5.967 10.092 576 HD3 PRO 70 3HD PRO 70 -8.482 -6.315 11.006 577 H VAL 71 H VAL 71 -7.491 -2.296 7.206 578 HA VAL 71 HA VAL 71 -10.185 -1.308 6.913 579 HB VAL 71 HB VAL 71 -7.609 -0.085 5.899 580 HG11 VAL 71 1HG1 VAL 71 -10.330 1.151 6.346 581 HG12 VAL 71 2HG1 VAL 71 -9.593 0.808 4.781 582 HG13 VAL 71 3HG1 VAL 71 -8.874 2.014 5.849 583 HG21 VAL 71 3HG2 VAL 71 -7.693 1.308 7.925 584 HG22 VAL 71 1HG2 VAL 71 -7.533 -0.405 8.319 585 HG23 VAL 71 2HG2 VAL 71 -9.094 0.397 8.490 586 H LEU 72 H LEU 72 -11.360 -2.343 5.404 587 HA LEU 72 HA LEU 72 -10.185 -3.033 2.806 588 HB2 LEU 72 2HB LEU 72 -12.899 -3.685 3.974 589 HB3 LEU 72 3HB LEU 72 -12.263 -4.307 2.460 590 HG LEU 72 HG LEU 72 -11.157 -4.882 5.221 591 HD11 LEU 72 1HD1 LEU 72 -11.926 -7.157 4.829 592 HD12 LEU 72 2HD1 LEU 72 -12.594 -6.682 3.268 593 HD13 LEU 72 3HD1 LEU 72 -13.275 -6.024 4.756 594 HD21 LEU 72 3HD2 LEU 72 -9.369 -4.798 3.565 595 HD22 LEU 72 1HD2 LEU 72 -10.266 -5.901 2.520 596 HD23 LEU 72 2HD2 LEU 72 -9.664 -6.457 4.081 597 H LEU 73 H LEU 73 -11.081 -0.220 3.713 598 HA LEU 73 HA LEU 73 -13.347 0.551 2.232 599 HB2 LEU 73 2HB LEU 73 -10.935 2.186 3.038 600 HB3 LEU 73 3HB LEU 73 -12.431 2.857 2.418 601 HG LEU 73 HG LEU 73 -12.103 1.345 5.017 602 HD11 LEU 73 1HD1 LEU 73 -11.154 3.579 5.104 603 HD12 LEU 73 2HD1 LEU 73 -12.635 3.498 6.060 604 HD13 LEU 73 3HD1 LEU 73 -12.651 4.263 4.469 605 HD21 LEU 73 3HD2 LEU 73 -14.568 2.648 3.848 606 HD22 LEU 73 1HD2 LEU 73 -14.439 1.908 5.444 607 HD23 LEU 73 2HD2 LEU 73 -14.291 0.913 3.998 608 HA PRO 74 HA PRO 74 -12.140 0.144 -1.986 609 HB2 PRO 74 2HB PRO 74 -13.652 2.680 -2.437 610 HB3 PRO 74 3HB PRO 74 -13.833 1.104 -3.217 611 HG2 PRO 74 2HG PRO 74 -15.597 1.922 -1.394 612 HG3 PRO 74 3HG PRO 74 -15.079 0.228 -1.468 613 HD2 PRO 74 2HD PRO 74 -14.273 2.374 0.458 614 HD3 PRO 74 3HD PRO 74 -14.562 0.645 0.748 615 H GLU 75 H GLU 75 -12.046 3.496 -0.792 616 HA GLU 75 HA GLU 75 -10.233 4.465 -2.730 617 HB2 GLU 75 2HB GLU 75 -10.023 6.435 -1.349 618 HB3 GLU 75 3HB GLU 75 -11.704 5.923 -1.373 619 HG2 GLU 75 2HG GLU 75 -10.049 4.889 0.854 620 HG3 GLU 75 3HG GLU 75 -10.383 6.617 0.862 621 H GLU 76 H GLU 76 -9.705 2.578 0.095 622 HA GLU 76 HA GLU 76 -6.990 3.462 0.559 623 HB2 GLU 76 2HB GLU 76 -8.576 1.165 1.729 624 HB3 GLU 76 3HB GLU 76 -6.966 1.638 2.259 625 HG2 GLU 76 2HG GLU 76 -9.385 3.435 2.355 626 HG3 GLU 76 3HG GLU 76 -8.802 2.468 3.708 627 H ALA 77 H ALA 77 -8.413 1.326 -1.630 628 HA ALA 77 HA ALA 77 -6.447 -0.743 -1.654 629 HB1 ALA 77 3HB ALA 77 -7.515 -1.472 -3.722 630 HB2 ALA 77 1HB ALA 77 -8.425 0.040 -3.797 631 HB3 ALA 77 2HB ALA 77 -8.713 -1.098 -2.480 632 H ILE 78 H ILE 78 -4.450 0.384 -1.730 633 HA ILE 78 HA ILE 78 -3.727 2.129 -3.879 634 HB ILE 78 HB ILE 78 -1.928 0.632 -1.951 635 HG12 ILE 78 2HG1 ILE 78 -3.027 3.459 -1.762 636 HG13 ILE 78 3HG1 ILE 78 -3.618 2.088 -0.830 637 HG21 ILE 78 1HG2 ILE 78 -0.267 2.362 -2.470 638 HG22 ILE 78 2HG2 ILE 78 -1.372 3.075 -3.646 639 HG23 ILE 78 3HG2 ILE 78 -0.727 1.455 -3.914 640 HD11 ILE 78 3HD1 ILE 78 -2.131 3.490 0.484 641 HD12 ILE 78 1HD1 ILE 78 -0.838 3.235 -0.689 642 HD13 ILE 78 2HD1 ILE 78 -1.450 1.879 0.258 643 H ALA 79 H ALA 79 -2.589 1.702 -5.768 644 HA ALA 79 HA ALA 79 -2.599 -1.062 -6.672 645 HB1 ALA 79 3HB ALA 79 -3.456 0.713 -8.128 646 HB2 ALA 79 1HB ALA 79 -2.119 -0.161 -8.872 647 HB3 ALA 79 2HB ALA 79 -1.850 1.442 -8.184 648 H THR 80 H THR 80 -0.873 -2.383 -6.668 649 HA THR 80 HA THR 80 1.600 -1.694 -5.532 650 HB THR 80 HB THR 80 2.440 -3.860 -6.303 651 HG1 THR 80 HG1 THR 80 0.381 -4.937 -7.533 652 HG21 THR 80 3HG2 THR 80 0.736 -5.322 -5.313 653 HG22 THR 80 1HG2 THR 80 -0.454 -4.025 -5.435 654 HG23 THR 80 2HG2 THR 80 0.938 -3.850 -4.365 655 H ILE 81 H ILE 81 0.577 -1.759 -8.895 656 HA ILE 81 HA ILE 81 3.073 -1.649 -10.155 657 HB ILE 81 HB ILE 81 0.956 -2.138 -11.326 658 HG12 ILE 81 2HG1 ILE 81 1.424 -0.843 -13.399 659 HG13 ILE 81 3HG1 ILE 81 2.486 0.218 -12.480 660 HG21 ILE 81 1HG2 ILE 81 0.402 0.817 -11.053 661 HG22 ILE 81 2HG2 ILE 81 -0.471 -0.485 -10.248 662 HG23 ILE 81 3HG2 ILE 81 -0.547 -0.327 -12.002 663 HD11 ILE 81 3HD1 ILE 81 2.885 -2.729 -12.957 664 HD12 ILE 81 1HD1 ILE 81 3.939 -1.701 -11.987 665 HD13 ILE 81 2HD1 ILE 81 3.769 -1.405 -13.718 666 H GLN 82 H GLN 82 1.294 0.850 -8.516 667 HA GLN 82 HA GLN 82 2.635 3.080 -9.717 668 HB2 GLN 82 2HB GLN 82 0.437 3.390 -8.736 669 HB3 GLN 82 3HB GLN 82 1.019 2.844 -7.168 670 HG2 GLN 82 2HG GLN 82 0.778 5.250 -7.179 671 HG3 GLN 82 3HG GLN 82 2.478 4.812 -7.025 672 HE21 GLN 82 1HE2 GLN 82 3.242 6.754 -7.813 673 HE22 GLN 82 2HE2 GLN 82 3.084 7.215 -9.472 674 H ILE 83 H ILE 83 3.390 0.902 -7.119 675 HA ILE 83 HA ILE 83 5.087 2.689 -5.658 676 HB ILE 83 HB ILE 83 5.031 -0.333 -5.519 677 HG12 ILE 83 2HG1 ILE 83 2.797 0.562 -5.113 678 HG13 ILE 83 3HG1 ILE 83 3.492 -0.009 -3.601 679 HG21 ILE 83 1HG2 ILE 83 5.920 0.026 -3.235 680 HG22 ILE 83 2HG2 ILE 83 6.054 1.750 -3.580 681 HG23 ILE 83 3HG2 ILE 83 7.019 0.588 -4.494 682 HD11 ILE 83 3HD1 ILE 83 4.034 2.298 -2.985 683 HD12 ILE 83 1HD1 ILE 83 2.309 2.079 -3.283 684 HD13 ILE 83 2HD1 ILE 83 3.318 2.863 -4.496 685 H ALA 84 H ALA 84 6.691 3.530 -6.899 686 HA ALA 84 HA ALA 84 8.263 2.333 -8.829 687 HB1 ALA 84 3HB ALA 84 8.208 4.737 -8.424 688 HB2 ALA 84 1HB ALA 84 9.866 4.136 -8.440 689 HB3 ALA 84 2HB ALA 84 9.079 4.511 -6.906 690 H ASN 85 H ASN 85 8.434 1.818 -5.423 691 HA ASN 85 HA ASN 85 11.210 0.971 -5.421 692 HB2 ASN 85 2HB ASN 85 9.112 0.990 -3.242 693 HB3 ASN 85 3HB ASN 85 10.794 0.521 -3.002 694 HD21 ASN 85 1HD2 ASN 85 9.230 2.753 -1.881 695 HD22 ASN 85 2HD2 ASN 85 10.134 4.174 -2.270 696 H PHE 86 H PHE 86 8.612 -0.538 -6.606 697 HA PHE 86 HA PHE 86 9.353 -3.213 -5.662 698 HB2 PHE 86 2HB PHE 86 7.030 -2.072 -7.145 699 HB3 PHE 86 3HB PHE 86 7.464 -3.737 -7.504 700 HD1 PHE 86 HD1 PHE 86 6.990 -1.560 -4.492 701 HD2 PHE 86 HD2 PHE 86 6.381 -5.367 -6.305 702 HE1 PHE 86 HE1 PHE 86 5.755 -2.315 -2.502 703 HE2 PHE 86 HE2 PHE 86 5.152 -6.125 -4.315 704 HZ PHE 86 HZ PHE 86 4.836 -4.595 -2.411 705 HA PRO 87 HA PRO 87 12.336 -3.697 -8.980 706 HB2 PRO 87 2HB PRO 87 11.644 -6.579 -8.577 707 HB3 PRO 87 3HB PRO 87 13.229 -5.798 -8.629 708 HG2 PRO 87 2HG PRO 87 12.189 -6.555 -6.303 709 HG3 PRO 87 3HG PRO 87 13.060 -5.015 -6.440 710 HD2 PRO 87 2HD PRO 87 10.109 -5.520 -6.297 711 HD3 PRO 87 3HD PRO 87 11.066 -4.214 -5.569 712 H ASP 88 H ASP 88 11.951 -3.475 -11.100 713 HA ASP 88 HA ASP 88 9.458 -3.889 -12.305 714 HB2 ASP 88 2HB ASP 88 10.732 -3.542 -14.475 715 HB3 ASP 88 3HB ASP 88 10.893 -2.271 -13.268 716 H LYS 89 H LYS 89 8.594 -5.455 -13.613 717 HA LYS 89 HA LYS 89 10.058 -8.020 -13.726 718 HB2 LYS 89 2HB LYS 89 7.077 -7.550 -13.496 719 HB3 LYS 89 3HB LYS 89 7.838 -9.125 -13.663 720 HG2 LYS 89 2HG LYS 89 8.180 -7.215 -11.354 721 HG3 LYS 89 3HG LYS 89 7.225 -8.700 -11.355 722 HD2 LYS 89 2HD LYS 89 10.228 -8.474 -11.656 723 HD3 LYS 89 3HD LYS 89 9.354 -9.089 -10.255 724 HE2 LYS 89 2HE LYS 89 8.441 -10.906 -11.703 725 HE3 LYS 89 3HE LYS 89 9.476 -10.328 -13.009 726 HZ1 LYS 89 3HZ LYS 89 10.353 -11.411 -10.390 727 HZ2 LYS 89 1HZ LYS 89 11.397 -10.713 -11.526 728 HZ3 LYS 89 2HZ LYS 89 10.556 -12.128 -11.909 729 H LEU 90 H LEU 90 10.422 -8.895 -15.662 730 HA LEU 90 HA LEU 90 9.622 -7.726 -18.106 731 HB2 LEU 90 2HB LEU 90 10.569 -10.553 -17.581 732 HB3 LEU 90 3HB LEU 90 10.522 -9.767 -19.146 733 HG LEU 90 HG LEU 90 12.268 -8.915 -16.824 734 HD11 LEU 90 1HD1 LEU 90 12.998 -11.042 -17.735 735 HD12 LEU 90 2HD1 LEU 90 14.123 -9.765 -18.197 736 HD13 LEU 90 3HD1 LEU 90 12.961 -10.382 -19.372 737 HD21 LEU 90 3HD2 LEU 90 13.343 -7.440 -18.455 738 HD22 LEU 90 1HD2 LEU 90 11.638 -7.037 -18.256 739 HD23 LEU 90 2HD2 LEU 90 12.172 -7.930 -19.680 740 H GLU 91 H GLU 91 7.629 -7.750 -19.009 741 HA GLU 91 HA GLU 91 5.509 -9.352 -18.026 742 HB2 GLU 91 2HB GLU 91 5.137 -7.137 -19.056 743 HB3 GLU 91 3HB GLU 91 5.633 -7.783 -20.617 744 HG2 GLU 91 2HG GLU 91 3.738 -9.323 -20.598 745 HG3 GLU 91 3HG GLU 91 3.246 -8.715 -19.020 746 H HIS 92 H HIS 92 6.266 -11.491 -18.176 747 HA HIS 92 HA HIS 92 6.138 -12.663 -20.890 748 HB2 HIS 92 2HB HIS 92 8.372 -12.764 -19.619 749 HB3 HIS 92 3HB HIS 92 7.578 -13.889 -18.527 750 HD1 HIS 92 HD1 HIS 92 7.193 -16.274 -19.370 751 HD2 HIS 92 HD2 HIS 92 8.901 -13.760 -22.203 752 HE1 HIS 92 HE1 HIS 92 7.970 -17.781 -21.222 753 HE2 HIS 92 HE2 HIS 92 9.164 -16.253 -22.830 754 H HIS 93 H HIS 93 4.349 -13.892 -21.202 755 HA HIS 93 HA HIS 93 3.115 -15.187 -18.850 756 HB2 HIS 93 2HB HIS 93 1.681 -13.732 -21.084 757 HB3 HIS 93 3HB HIS 93 0.887 -14.675 -19.830 758 HD1 HIS 93 HD1 HIS 93 0.647 -13.605 -17.510 759 HD2 HIS 93 HD2 HIS 93 2.721 -11.236 -20.224 760 HE1 HIS 93 HE1 HIS 93 0.852 -11.356 -16.425 761 HE2 HIS 93 HE2 HIS 93 1.971 -9.903 -18.136 762 H HIS 94 H HIS 94 1.896 -17.077 -19.234 763 HA HIS 94 HA HIS 94 2.014 -18.276 -21.912 764 HB2 HIS 94 2HB HIS 94 2.643 -20.488 -20.843 765 HB3 HIS 94 3HB HIS 94 3.920 -19.279 -20.880 766 HD1 HIS 94 HD1 HIS 94 1.358 -20.670 -18.428 767 HD2 HIS 94 HD2 HIS 94 5.077 -18.810 -18.452 768 HE1 HIS 94 HE1 HIS 94 2.153 -20.716 -16.045 769 HE2 HIS 94 HE2 HIS 94 4.388 -19.566 -16.076 770 H HIS 95 H HIS 95 0.035 -18.969 -22.487 771 HA HIS 95 HA HIS 95 -2.111 -18.747 -20.580 772 HB2 HIS 95 2HB HIS 95 -1.976 -18.233 -23.213 773 HB3 HIS 95 3HB HIS 95 -2.626 -19.865 -23.299 774 HD1 HIS 95 HD1 HIS 95 -3.713 -16.509 -23.215 775 HD2 HIS 95 HD2 HIS 95 -5.077 -20.011 -21.449 776 HE1 HIS 95 HE1 HIS 95 -6.100 -16.061 -22.606 777 HE2 HIS 95 HE2 HIS 95 -6.963 -18.256 -21.747 778 H HIS 96 H HIS 96 -0.032 -21.213 -20.997 779 HA HIS 96 HA HIS 96 -1.542 -23.545 -21.241 780 HB2 HIS 96 2HB HIS 96 0.865 -23.647 -21.304 781 HB3 HIS 96 3HB HIS 96 0.991 -23.007 -19.669 782 HD1 HIS 96 HD1 HIS 96 -0.123 -24.681 -17.770 783 HD2 HIS 96 HD2 HIS 96 0.919 -26.353 -21.429 784 HE1 HIS 96 HE1 HIS 96 0.064 -27.145 -17.352 785 HE2 HIS 96 HE2 HIS 96 0.859 -28.108 -19.535 786 H HIS 97 H HIS 97 -3.339 -23.968 -20.087 787 HA HIS 97 HA HIS 97 -3.779 -23.279 -17.377 788 HB2 HIS 97 2HB HIS 97 -5.592 -23.819 -18.974 789 HB3 HIS 97 3HB HIS 97 -5.049 -25.492 -19.020 790 HD1 HIS 97 HD1 HIS 97 -5.639 -26.983 -17.000 791 HD2 HIS 97 HD2 HIS 97 -7.031 -23.084 -16.679 792 HE1 HIS 97 HE1 HIS 97 -7.282 -27.011 -15.106 793 HE2 HIS 97 HE2 HIS 97 -8.243 -24.685 -15.053 Start of MODEL 15 1 H1 MET 1 1H MET 1 -7.175 -20.511 -30.200 2 H2 MET 1 2H MET 1 -8.258 -21.778 -30.482 3 H3 MET 1 3H MET 1 -6.616 -22.105 -30.281 4 HA MET 1 HA MET 1 -8.452 -21.032 -28.218 5 HB2 MET 1 2HB MET 1 -7.030 -23.708 -28.312 6 HB3 MET 1 3HB MET 1 -8.169 -23.166 -27.087 7 HG2 MET 1 2HG MET 1 -9.253 -24.720 -28.561 8 HG3 MET 1 3HG MET 1 -9.943 -23.114 -28.801 9 HE1 MET 1 3HE MET 1 -10.276 -25.607 -30.829 10 HE2 MET 1 1HE MET 1 -10.091 -24.779 -32.380 11 HE3 MET 1 2HE MET 1 -11.033 -24.033 -31.088 12 H ASP 2 H ASP 2 -7.350 -19.566 -27.039 13 HA ASP 2 HA ASP 2 -4.491 -19.607 -26.741 14 HB2 ASP 2 2HB ASP 2 -4.892 -17.677 -25.220 15 HB3 ASP 2 3HB ASP 2 -5.665 -17.489 -26.791 16 H ARG 3 H ARG 3 -5.019 -22.032 -25.894 17 HA ARG 3 HA ARG 3 -5.976 -22.472 -23.308 18 HB2 ARG 3 2HB ARG 3 -4.968 -24.672 -23.447 19 HB3 ARG 3 3HB ARG 3 -5.686 -24.244 -24.995 20 HG2 ARG 3 2HG ARG 3 -3.489 -23.703 -25.892 21 HG3 ARG 3 3HG ARG 3 -2.749 -24.062 -24.328 22 HD2 ARG 3 2HD ARG 3 -4.198 -26.004 -26.136 23 HD3 ARG 3 3HD ARG 3 -2.465 -25.955 -25.813 24 HE ARG 3 HE ARG 3 -3.548 -26.276 -23.350 25 HH11 ARG 3 1HH1 ARG 3 -3.835 -27.999 -26.321 26 HH12 ARG 3 2HH1 ARG 3 -4.204 -29.494 -25.540 27 HH21 ARG 3 1HH2 ARG 3 -4.048 -28.191 -22.365 28 HH22 ARG 3 2HH2 ARG 3 -4.359 -29.599 -23.328 29 H LYS 4 H LYS 4 -2.948 -21.158 -24.260 30 HA LYS 4 HA LYS 4 -1.675 -21.757 -21.707 31 HB2 LYS 4 2HB LYS 4 0.276 -20.543 -22.662 32 HB3 LYS 4 3HB LYS 4 -0.257 -21.903 -23.639 33 HG2 LYS 4 2HG LYS 4 -1.473 -20.287 -25.102 34 HG3 LYS 4 3HG LYS 4 -0.741 -18.978 -24.174 35 HD2 LYS 4 2HD LYS 4 0.730 -21.083 -25.767 36 HD3 LYS 4 3HD LYS 4 0.513 -19.393 -26.224 37 HE2 LYS 4 2HE LYS 4 1.794 -18.708 -24.235 38 HE3 LYS 4 3HE LYS 4 2.029 -20.404 -23.813 39 HZ1 LYS 4 3HZ LYS 4 3.208 -20.710 -25.913 40 HZ2 LYS 4 1HZ LYS 4 3.952 -19.536 -24.951 41 HZ3 LYS 4 2HZ LYS 4 3.013 -19.069 -26.272 42 H LEU 5 H LEU 5 -3.479 -19.177 -23.161 43 HA LEU 5 HA LEU 5 -2.673 -17.254 -21.109 44 HB2 LEU 5 2HB LEU 5 -4.622 -17.007 -23.408 45 HB3 LEU 5 3HB LEU 5 -4.345 -15.741 -22.229 46 HG LEU 5 HG LEU 5 -3.102 -15.142 -24.147 47 HD11 LEU 5 1HD1 LEU 5 -1.890 -14.785 -22.079 48 HD12 LEU 5 2HD1 LEU 5 -0.777 -15.177 -23.390 49 HD13 LEU 5 3HD1 LEU 5 -1.190 -16.401 -22.188 50 HD21 LEU 5 3HD2 LEU 5 -1.964 -17.933 -24.165 51 HD22 LEU 5 1HD2 LEU 5 -1.474 -16.619 -25.235 52 HD23 LEU 5 2HD2 LEU 5 -3.113 -17.260 -25.321 53 H LEU 6 H LEU 6 -5.914 -18.200 -22.310 54 HA LEU 6 HA LEU 6 -7.902 -18.512 -21.257 55 HB2 LEU 6 2HB LEU 6 -6.114 -19.647 -19.100 56 HB3 LEU 6 3HB LEU 6 -7.853 -19.867 -19.174 57 HG LEU 6 HG LEU 6 -5.855 -20.890 -21.203 58 HD11 LEU 6 1HD1 LEU 6 -7.523 -22.362 -19.164 59 HD12 LEU 6 2HD1 LEU 6 -5.781 -22.106 -19.090 60 HD13 LEU 6 3HD1 LEU 6 -6.470 -23.099 -20.372 61 HD21 LEU 6 3HD2 LEU 6 -7.774 -22.058 -22.198 62 HD22 LEU 6 1HD2 LEU 6 -7.963 -20.308 -22.277 63 HD23 LEU 6 2HD2 LEU 6 -8.854 -21.236 -21.070 64 H HIS 7 H HIS 7 -6.377 -15.963 -20.677 65 HA HIS 7 HA HIS 7 -6.978 -15.233 -17.964 66 HB2 HIS 7 2HB HIS 7 -6.132 -13.532 -20.322 67 HB3 HIS 7 3HB HIS 7 -6.235 -12.964 -18.656 68 HD1 HIS 7 HD1 HIS 7 -3.694 -13.657 -20.815 69 HD2 HIS 7 HD2 HIS 7 -4.612 -15.223 -17.075 70 HE1 HIS 7 HE1 HIS 7 -1.538 -14.588 -19.922 71 HE2 HIS 7 HE2 HIS 7 -2.140 -15.625 -17.711 72 H LEU 8 H LEU 8 -8.925 -15.551 -20.644 73 HA LEU 8 HA LEU 8 -10.784 -13.444 -20.241 74 HB2 LEU 8 2HB LEU 8 -11.229 -16.204 -21.403 75 HB3 LEU 8 3HB LEU 8 -12.339 -14.852 -21.548 76 HG LEU 8 HG LEU 8 -9.547 -14.957 -22.718 77 HD11 LEU 8 1HD1 LEU 8 -12.240 -15.154 -24.070 78 HD12 LEU 8 2HD1 LEU 8 -11.091 -16.474 -23.850 79 HD13 LEU 8 3HD1 LEU 8 -10.672 -15.103 -24.876 80 HD21 LEU 8 3HD2 LEU 8 -10.197 -12.682 -22.115 81 HD22 LEU 8 1HD2 LEU 8 -11.710 -12.862 -23.003 82 HD23 LEU 8 2HD2 LEU 8 -10.173 -12.883 -23.865 83 H LEU 9 H LEU 9 -10.118 -16.311 -18.476 84 HA LEU 9 HA LEU 9 -12.676 -16.285 -17.056 85 HB2 LEU 9 2HB LEU 9 -11.434 -18.407 -17.718 86 HB3 LEU 9 3HB LEU 9 -10.247 -18.004 -16.495 87 HG LEU 9 HG LEU 9 -13.175 -18.417 -15.851 88 HD11 LEU 9 1HD1 LEU 9 -12.597 -20.682 -15.153 89 HD12 LEU 9 2HD1 LEU 9 -10.946 -20.453 -15.730 90 HD13 LEU 9 3HD1 LEU 9 -12.289 -20.457 -16.874 91 HD21 LEU 9 3HD2 LEU 9 -11.915 -17.208 -14.140 92 HD22 LEU 9 1HD2 LEU 9 -10.691 -18.481 -14.121 93 HD23 LEU 9 2HD2 LEU 9 -12.333 -18.825 -13.575 94 H CYS 10 H CYS 10 -12.919 -14.782 -15.489 95 HA CYS 10 HA CYS 10 -10.575 -14.085 -13.828 96 HB2 CYS 10 2HB CYS 10 -10.871 -12.297 -15.441 97 HB3 CYS 10 3HB CYS 10 -12.578 -12.156 -15.024 98 HG CYS 10 HG CYS 10 -12.270 -10.927 -12.664 99 H SER 11 H SER 11 -11.007 -13.242 -11.738 100 HA SER 11 HA SER 11 -13.224 -14.438 -10.372 101 HB2 SER 11 2HB SER 11 -11.140 -12.441 -9.419 102 HB3 SER 11 3HB SER 11 -12.277 -13.280 -8.368 103 HG SER 11 HG SER 11 -9.997 -14.155 -8.795 104 HA PRO 12 HA PRO 12 -16.311 -11.174 -10.168 105 HB2 PRO 12 2HB PRO 12 -15.886 -11.067 -7.210 106 HB3 PRO 12 3HB PRO 12 -17.388 -11.233 -8.128 107 HG2 PRO 12 2HG PRO 12 -16.316 -13.339 -6.900 108 HG3 PRO 12 3HG PRO 12 -17.064 -13.510 -8.498 109 HD2 PRO 12 2HD PRO 12 -14.167 -13.435 -7.758 110 HD3 PRO 12 3HD PRO 12 -14.986 -14.380 -9.017 111 H ASP 13 H ASP 13 -16.283 -8.987 -10.353 112 HA ASP 13 HA ASP 13 -13.928 -7.611 -10.587 113 HB2 ASP 13 2HB ASP 13 -15.401 -5.527 -10.506 114 HB3 ASP 13 3HB ASP 13 -15.831 -6.763 -11.685 115 H THR 14 H THR 14 -16.114 -7.452 -7.761 116 HA THR 14 HA THR 14 -14.196 -5.706 -6.383 117 HB THR 14 HB THR 14 -16.618 -5.101 -6.400 118 HG1 THR 14 HG1 THR 14 -15.315 -5.593 -3.913 119 HG21 THR 14 3HG2 THR 14 -17.588 -7.341 -6.237 120 HG22 THR 14 1HG2 THR 14 -18.158 -6.318 -4.918 121 HG23 THR 14 2HG2 THR 14 -16.912 -7.530 -4.619 122 H ARG 15 H ARG 15 -14.107 -8.846 -6.747 123 HA ARG 15 HA ARG 15 -13.526 -9.403 -3.906 124 HB2 ARG 15 2HB ARG 15 -15.637 -10.475 -4.395 125 HB3 ARG 15 3HB ARG 15 -14.966 -11.227 -5.839 126 HG2 ARG 15 2HG ARG 15 -13.429 -12.534 -4.431 127 HG3 ARG 15 3HG ARG 15 -14.140 -11.798 -2.995 128 HD2 ARG 15 2HD ARG 15 -15.624 -13.474 -5.021 129 HD3 ARG 15 3HD ARG 15 -15.048 -14.041 -3.452 130 HE ARG 15 HE ARG 15 -16.663 -11.793 -3.038 131 HH11 ARG 15 1HH1 ARG 15 -16.935 -15.045 -4.121 132 HH12 ARG 15 2HH1 ARG 15 -18.564 -15.204 -3.571 133 HH21 ARG 15 1HH2 ARG 15 -18.738 -11.999 -2.335 134 HH22 ARG 15 2HH2 ARG 15 -19.581 -13.492 -2.562 135 H GLN 16 H GLN 16 -11.397 -9.595 -3.799 136 HA GLN 16 HA GLN 16 -10.134 -11.706 -5.412 137 HB2 GLN 16 2HB GLN 16 -9.020 -8.946 -4.860 138 HB3 GLN 16 3HB GLN 16 -8.008 -10.297 -5.359 139 HG2 GLN 16 2HG GLN 16 -9.237 -10.487 -7.443 140 HG3 GLN 16 3HG GLN 16 -10.331 -9.199 -6.935 141 HE21 GLN 16 1HE2 GLN 16 -7.072 -9.951 -7.950 142 HE22 GLN 16 2HE2 GLN 16 -6.638 -8.332 -8.373 143 HA PRO 17 HA PRO 17 -8.991 -13.440 -1.465 144 HB2 PRO 17 2HB PRO 17 -6.476 -14.399 -2.318 145 HB3 PRO 17 3HB PRO 17 -8.003 -15.280 -2.337 146 HG2 PRO 17 2HG PRO 17 -6.634 -13.820 -4.546 147 HG3 PRO 17 3HG PRO 17 -7.612 -15.298 -4.606 148 HD2 PRO 17 2HD PRO 17 -8.590 -12.953 -5.453 149 HD3 PRO 17 3HD PRO 17 -9.618 -14.120 -4.591 150 H LEU 18 H LEU 18 -8.241 -12.363 0.245 151 HA LEU 18 HA LEU 18 -6.012 -10.454 -0.127 152 HB2 LEU 18 2HB LEU 18 -8.281 -9.447 0.131 153 HB3 LEU 18 3HB LEU 18 -8.414 -10.203 1.703 154 HG LEU 18 HG LEU 18 -7.832 -7.719 1.631 155 HD11 LEU 18 1HD1 LEU 18 -6.276 -7.876 3.528 156 HD12 LEU 18 2HD1 LEU 18 -6.045 -9.590 3.185 157 HD13 LEU 18 3HD1 LEU 18 -7.631 -8.994 3.674 158 HD21 LEU 18 3HD2 LEU 18 -5.123 -8.806 0.867 159 HD22 LEU 18 1HD2 LEU 18 -5.489 -7.141 1.315 160 HD23 LEU 18 2HD2 LEU 18 -6.174 -7.826 -0.158 161 H SER 19 H SER 19 -4.325 -10.536 1.293 162 HA SER 19 HA SER 19 -4.630 -11.969 3.839 163 HB2 SER 19 2HB SER 19 -2.576 -13.267 3.492 164 HB3 SER 19 3HB SER 19 -3.750 -13.634 2.228 165 HG SER 19 HG SER 19 -1.265 -12.482 2.044 166 H LEU 20 H LEU 20 -2.399 -11.774 5.096 167 HA LEU 20 HA LEU 20 -1.905 -8.995 5.494 168 HB2 LEU 20 2HB LEU 20 -1.771 -10.971 7.162 169 HB3 LEU 20 3HB LEU 20 -0.164 -11.237 6.524 170 HG LEU 20 HG LEU 20 -0.234 -9.973 8.681 171 HD11 LEU 20 1HD1 LEU 20 1.403 -8.290 8.082 172 HD12 LEU 20 2HD1 LEU 20 0.949 -8.424 6.382 173 HD13 LEU 20 3HD1 LEU 20 1.705 -9.790 7.206 174 HD21 LEU 20 3HD2 LEU 20 -2.259 -8.693 8.314 175 HD22 LEU 20 1HD2 LEU 20 -1.491 -7.810 6.994 176 HD23 LEU 20 2HD2 LEU 20 -0.906 -7.616 8.648 177 H LEU 21 H LEU 21 -0.208 -7.692 4.832 178 HA LEU 21 HA LEU 21 1.159 -8.406 2.441 179 HB2 LEU 21 2HB LEU 21 0.477 -6.127 2.818 180 HB3 LEU 21 3HB LEU 21 1.441 -6.031 4.277 181 HG LEU 21 HG LEU 21 3.503 -6.186 2.939 182 HD11 LEU 21 1HD1 LEU 21 1.649 -6.169 0.557 183 HD12 LEU 21 2HD1 LEU 21 2.689 -7.499 1.069 184 HD13 LEU 21 3HD1 LEU 21 3.403 -5.992 0.496 185 HD21 LEU 21 3HD2 LEU 21 2.589 -3.991 3.481 186 HD22 LEU 21 1HD2 LEU 21 1.615 -4.017 2.011 187 HD23 LEU 21 2HD2 LEU 21 3.377 -3.973 1.906 188 H GLU 22 H GLU 22 3.127 -9.242 2.099 189 HA GLU 22 HA GLU 22 4.700 -10.366 4.118 190 HB2 GLU 22 2HB GLU 22 4.825 -11.173 1.833 191 HB3 GLU 22 3HB GLU 22 5.442 -9.626 1.275 192 HG2 GLU 22 2HG GLU 22 7.237 -11.231 1.387 193 HG3 GLU 22 3HG GLU 22 7.490 -9.981 2.599 194 H SER 23 H SER 23 6.457 -9.714 5.251 195 HA SER 23 HA SER 23 6.857 -7.058 5.931 196 HB2 SER 23 2HB SER 23 8.963 -7.820 6.995 197 HB3 SER 23 3HB SER 23 7.623 -8.916 7.325 198 HG SER 23 HG SER 23 8.491 -10.416 6.023 199 H LYS 24 H LYS 24 8.761 -9.021 3.652 200 HA LYS 24 HA LYS 24 10.661 -7.100 2.920 201 HB2 LYS 24 2HB LYS 24 9.474 -9.325 1.243 202 HB3 LYS 24 3HB LYS 24 10.934 -8.433 0.838 203 HG2 LYS 24 2HG LYS 24 10.554 -10.166 3.281 204 HG3 LYS 24 3HG LYS 24 11.427 -10.625 1.819 205 HD2 LYS 24 2HD LYS 24 12.156 -8.362 3.693 206 HD3 LYS 24 3HD LYS 24 12.972 -9.923 3.584 207 HE2 LYS 24 2HE LYS 24 12.814 -7.831 1.408 208 HE3 LYS 24 3HE LYS 24 14.228 -8.214 2.388 209 HZ1 LYS 24 3HZ LYS 24 14.278 -10.409 1.426 210 HZ2 LYS 24 1HZ LYS 24 14.306 -9.254 0.194 211 HZ3 LYS 24 2HZ LYS 24 12.883 -10.097 0.531 212 H GLY 25 H GLY 25 7.369 -7.572 1.761 213 HA2 GLY 25 2HA GLY 25 7.541 -5.621 -0.348 214 HA3 GLY 25 3HA GLY 25 6.073 -6.337 0.299 215 H LEU 26 H LEU 26 6.476 -5.578 3.023 216 HA LEU 26 HA LEU 26 5.042 -3.212 3.082 217 HB2 LEU 26 2HB LEU 26 5.159 -4.846 4.919 218 HB3 LEU 26 3HB LEU 26 6.807 -4.354 5.256 219 HG LEU 26 HG LEU 26 6.005 -2.096 5.868 220 HD11 LEU 26 1HD1 LEU 26 3.246 -3.262 5.461 221 HD12 LEU 26 2HD1 LEU 26 4.002 -2.002 4.486 222 HD13 LEU 26 3HD1 LEU 26 3.611 -1.691 6.175 223 HD21 LEU 26 3HD2 LEU 26 6.300 -3.786 7.602 224 HD22 LEU 26 1HD2 LEU 26 4.644 -4.346 7.359 225 HD23 LEU 26 2HD2 LEU 26 4.947 -2.724 7.986 226 H GLU 27 H GLU 27 8.561 -3.623 3.483 227 HA GLU 27 HA GLU 27 9.166 -0.946 4.088 228 HB2 GLU 27 2HB GLU 27 11.462 -1.469 3.306 229 HB3 GLU 27 3HB GLU 27 10.824 -2.656 4.433 230 HG2 GLU 27 2HG GLU 27 10.424 -4.224 2.676 231 HG3 GLU 27 3HG GLU 27 10.799 -3.015 1.446 232 H ALA 28 H ALA 28 8.746 -2.567 0.963 233 HA ALA 28 HA ALA 28 9.736 -0.521 -0.699 234 HB1 ALA 28 3HB ALA 28 9.326 -2.763 -1.539 235 HB2 ALA 28 1HB ALA 28 8.413 -1.587 -2.488 236 HB3 ALA 28 2HB ALA 28 7.593 -2.573 -1.274 237 H LEU 29 H LEU 29 6.501 -1.085 0.632 238 HA LEU 29 HA LEU 29 5.173 1.074 -0.603 239 HB2 LEU 29 2HB LEU 29 4.708 -0.416 1.975 240 HB3 LEU 29 3HB LEU 29 3.697 0.941 1.524 241 HG LEU 29 HG LEU 29 2.612 -1.160 0.951 242 HD11 LEU 29 1HD1 LEU 29 3.533 0.323 -1.508 243 HD12 LEU 29 2HD1 LEU 29 2.176 0.765 -0.474 244 HD13 LEU 29 3HD1 LEU 29 2.127 -0.734 -1.401 245 HD21 LEU 29 3HD2 LEU 29 5.004 -1.694 -0.813 246 HD22 LEU 29 1HD2 LEU 29 3.520 -2.647 -0.769 247 HD23 LEU 29 2HD2 LEU 29 4.563 -2.579 0.649 248 H ASN 30 H ASN 30 6.709 0.898 2.630 249 HA ASN 30 HA ASN 30 6.279 3.552 3.382 250 HB2 ASN 30 2HB ASN 30 8.450 1.603 4.157 251 HB3 ASN 30 3HB ASN 30 8.332 3.208 4.871 252 HD21 ASN 30 1HD2 ASN 30 6.852 0.069 4.639 253 HD22 ASN 30 2HD2 ASN 30 5.770 0.276 5.966 254 H LYS 31 H LYS 31 9.076 2.173 1.645 255 HA LYS 31 HA LYS 31 10.625 4.487 1.428 256 HB2 LYS 31 2HB LYS 31 10.333 2.191 -0.525 257 HB3 LYS 31 3HB LYS 31 11.595 3.411 -0.613 258 HG2 LYS 31 2HG LYS 31 12.464 2.698 1.552 259 HG3 LYS 31 3HG LYS 31 11.170 1.505 1.688 260 HD2 LYS 31 2HD LYS 31 12.015 0.331 -0.275 261 HD3 LYS 31 3HD LYS 31 13.274 1.550 -0.482 262 HE2 LYS 31 2HE LYS 31 12.972 -0.287 1.899 263 HE3 LYS 31 3HE LYS 31 14.142 -0.478 0.591 264 HZ1 LYS 31 3HZ LYS 31 15.129 0.564 2.536 265 HZ2 LYS 31 1HZ LYS 31 14.011 1.831 2.461 266 HZ3 LYS 31 2HZ LYS 31 15.143 1.623 1.219 267 H ALA 32 H ALA 32 8.023 3.317 -0.685 268 HA ALA 32 HA ALA 32 8.179 5.425 -2.582 269 HB1 ALA 32 3HB ALA 32 5.989 4.671 -3.333 270 HB2 ALA 32 1HB ALA 32 5.812 3.690 -1.878 271 HB3 ALA 32 2HB ALA 32 7.063 3.302 -3.059 272 H ILE 33 H ILE 33 6.437 5.066 0.459 273 HA ILE 33 HA ILE 33 4.815 7.378 0.269 274 HB ILE 33 HB ILE 33 5.881 5.949 2.720 275 HG12 ILE 33 2HG1 ILE 33 3.186 5.775 1.327 276 HG13 ILE 33 3HG1 ILE 33 4.462 4.569 1.220 277 HG21 ILE 33 1HG2 ILE 33 3.672 8.002 2.512 278 HG22 ILE 33 2HG2 ILE 33 5.234 8.224 3.301 279 HG23 ILE 33 3HG2 ILE 33 4.072 7.072 3.957 280 HD11 ILE 33 3HD1 ILE 33 2.900 5.332 3.670 281 HD12 ILE 33 1HD1 ILE 33 4.266 4.215 3.659 282 HD13 ILE 33 2HD1 ILE 33 2.798 3.825 2.761 283 H VAL 34 H VAL 34 8.032 6.862 1.730 284 HA VAL 34 HA VAL 34 8.525 9.487 2.593 285 HB VAL 34 HB VAL 34 10.522 7.460 1.540 286 HG11 VAL 34 1HG1 VAL 34 12.170 8.696 2.925 287 HG12 VAL 34 2HG1 VAL 34 10.946 9.931 3.227 288 HG13 VAL 34 3HG1 VAL 34 11.532 9.652 1.587 289 HG21 VAL 34 3HG2 VAL 34 10.864 6.860 3.895 290 HG22 VAL 34 1HG2 VAL 34 9.196 6.580 3.398 291 HG23 VAL 34 2HG2 VAL 34 9.599 7.995 4.371 292 H SER 35 H SER 35 9.015 7.947 -0.547 293 HA SER 35 HA SER 35 10.171 10.172 -1.880 294 HB2 SER 35 2HB SER 35 10.290 7.864 -2.754 295 HB3 SER 35 3HB SER 35 8.552 7.887 -3.044 296 HG SER 35 HG SER 35 10.614 9.245 -4.392 297 H GLY 36 H GLY 36 6.861 9.322 -1.123 298 HA2 GLY 36 2HA GLY 36 4.955 10.638 -1.229 299 HA3 GLY 36 3HA GLY 36 5.918 11.919 -1.940 300 H THR 37 H THR 37 5.594 8.635 -3.222 301 HA THR 37 HA THR 37 4.355 9.776 -5.659 302 HB THR 37 HB THR 37 6.537 8.763 -6.080 303 HG1 THR 37 HG1 THR 37 5.647 8.186 -7.900 304 HG21 THR 37 3HG2 THR 37 6.892 6.345 -5.784 305 HG22 THR 37 1HG2 THR 37 5.323 6.215 -4.990 306 HG23 THR 37 2HG2 THR 37 6.614 7.155 -4.242 307 H VAL 38 H VAL 38 3.474 8.083 -2.977 308 HA VAL 38 HA VAL 38 1.994 5.926 -4.139 309 HB VAL 38 HB VAL 38 1.817 7.077 -1.343 310 HG11 VAL 38 1HG1 VAL 38 0.858 4.428 -2.439 311 HG12 VAL 38 2HG1 VAL 38 -0.158 5.763 -1.894 312 HG13 VAL 38 3HG1 VAL 38 0.852 4.894 -0.738 313 HG21 VAL 38 3HG2 VAL 38 3.308 5.237 -0.706 314 HG22 VAL 38 1HG2 VAL 38 4.074 6.303 -1.886 315 HG23 VAL 38 2HG2 VAL 38 3.428 4.743 -2.394 316 H GLN 39 H GLN 39 0.425 6.605 -5.551 317 HA GLN 39 HA GLN 39 -1.608 8.508 -4.720 318 HB2 GLN 39 2HB GLN 39 -1.209 6.887 -7.235 319 HB3 GLN 39 3HB GLN 39 -2.683 7.799 -6.942 320 HG2 GLN 39 2HG GLN 39 -1.315 9.859 -6.724 321 HG3 GLN 39 3HG GLN 39 0.110 8.912 -7.159 322 HE21 GLN 39 1HE2 GLN 39 0.356 8.228 -9.286 323 HE22 GLN 39 2HE2 GLN 39 -0.607 8.849 -10.576 324 H ARG 40 H ARG 40 -3.431 8.023 -3.743 325 HA ARG 40 HA ARG 40 -4.036 5.348 -2.902 326 HB2 ARG 40 2HB ARG 40 -4.369 7.569 -1.637 327 HB3 ARG 40 3HB ARG 40 -5.805 7.784 -2.623 328 HG2 ARG 40 2HG ARG 40 -6.702 5.668 -1.717 329 HG3 ARG 40 3HG ARG 40 -5.282 5.544 -0.673 330 HD2 ARG 40 2HD ARG 40 -7.422 7.675 -0.633 331 HD3 ARG 40 3HD ARG 40 -7.063 6.492 0.622 332 HE ARG 40 HE ARG 40 -4.870 8.252 0.009 333 HH11 ARG 40 1HH1 ARG 40 -7.677 7.789 1.954 334 HH12 ARG 40 2HH1 ARG 40 -7.172 8.934 3.148 335 HH21 ARG 40 1HH2 ARG 40 -4.243 9.730 1.546 336 HH22 ARG 40 2HH2 ARG 40 -5.253 10.025 2.914 337 H ALA 41 H ALA 41 -6.110 4.221 -3.317 338 HA ALA 41 HA ALA 41 -6.980 4.028 -5.932 339 HB1 ALA 41 3HB ALA 41 -8.972 2.903 -5.080 340 HB2 ALA 41 1HB ALA 41 -8.668 3.553 -3.469 341 HB3 ALA 41 2HB ALA 41 -7.543 2.397 -4.180 342 H ASP 42 H ASP 42 -8.441 5.976 -3.339 343 HA ASP 42 HA ASP 42 -10.354 7.402 -4.732 344 HB2 ASP 42 2HB ASP 42 -10.217 7.729 -2.389 345 HB3 ASP 42 3HB ASP 42 -8.510 8.156 -2.461 346 H GLY 43 H GLY 43 -6.884 8.140 -4.453 347 HA2 GLY 43 2HA GLY 43 -5.971 9.080 -6.654 348 HA3 GLY 43 3HA GLY 43 -7.190 10.324 -6.414 349 H SER 44 H SER 44 -6.858 10.433 -3.528 350 HA SER 44 HA SER 44 -4.950 12.446 -3.266 351 HB2 SER 44 2HB SER 44 -6.744 12.191 -1.655 352 HB3 SER 44 3HB SER 44 -6.096 10.636 -1.124 353 HG SER 44 HG SER 44 -5.489 13.059 -0.234 354 H ILE 45 H ILE 45 -2.964 12.542 -2.028 355 HA ILE 45 HA ILE 45 -1.226 10.267 -2.624 356 HB ILE 45 HB ILE 45 -0.569 13.071 -1.682 357 HG12 ILE 45 2HG1 ILE 45 -1.438 12.954 -3.987 358 HG13 ILE 45 3HG1 ILE 45 0.255 13.422 -3.957 359 HG21 ILE 45 1HG2 ILE 45 1.137 11.548 -0.885 360 HG22 ILE 45 2HG2 ILE 45 1.775 12.500 -2.225 361 HG23 ILE 45 3HG2 ILE 45 1.289 10.825 -2.487 362 HD11 ILE 45 3HD1 ILE 45 -0.204 11.859 -5.756 363 HD12 ILE 45 1HD1 ILE 45 -0.798 10.674 -4.593 364 HD13 ILE 45 2HD1 ILE 45 0.900 11.150 -4.573 365 H GLN 46 H GLN 46 -0.108 9.090 -1.120 366 HA GLN 46 HA GLN 46 -0.859 9.454 1.696 367 HB2 GLN 46 2HB GLN 46 -1.263 7.231 0.834 368 HB3 GLN 46 3HB GLN 46 0.391 7.109 0.247 369 HG2 GLN 46 2HG GLN 46 1.233 7.098 2.524 370 HG3 GLN 46 3HG GLN 46 -0.398 7.325 3.155 371 HE21 GLN 46 1HE2 GLN 46 -0.230 5.422 4.358 372 HE22 GLN 46 2HE2 GLN 46 -0.345 3.868 3.615 373 H ASN 47 H ASN 47 0.500 10.930 2.612 374 HA ASN 47 HA ASN 47 3.408 10.575 2.333 375 HB2 ASN 47 2HB ASN 47 1.786 12.768 3.654 376 HB3 ASN 47 3HB ASN 47 3.547 12.730 3.575 377 HD21 ASN 47 1HD2 ASN 47 4.563 13.077 1.595 378 HD22 ASN 47 2HD2 ASN 47 3.728 13.775 0.254 379 H GLN 48 H GLN 48 0.827 9.912 4.482 380 HA GLN 48 HA GLN 48 2.508 9.584 6.833 381 HB2 GLN 48 2HB GLN 48 -0.428 9.024 6.339 382 HB3 GLN 48 3HB GLN 48 0.377 8.757 7.882 383 HG2 GLN 48 2HG GLN 48 0.869 11.117 8.080 384 HG3 GLN 48 3HG GLN 48 0.184 11.419 6.483 385 HE21 GLN 48 1HE2 GLN 48 -2.038 11.400 6.228 386 HE22 GLN 48 2HE2 GLN 48 -3.129 11.443 7.562 387 H SER 49 H SER 49 3.732 7.822 7.072 388 HA SER 49 HA SER 49 3.314 5.481 5.457 389 HB2 SER 49 2HB SER 49 5.355 4.617 6.524 390 HB3 SER 49 3HB SER 49 5.590 6.260 5.934 391 HG SER 49 HG SER 49 5.427 5.298 8.560 392 H LEU 50 H LEU 50 2.479 3.555 6.002 393 HA LEU 50 HA LEU 50 1.224 3.302 8.628 394 HB2 LEU 50 2HB LEU 50 0.113 1.276 7.549 395 HB3 LEU 50 3HB LEU 50 -0.331 2.858 6.948 396 HG LEU 50 HG LEU 50 1.310 2.466 5.039 397 HD11 LEU 50 1HD1 LEU 50 1.845 0.140 4.490 398 HD12 LEU 50 2HD1 LEU 50 1.184 -0.377 6.043 399 HD13 LEU 50 3HD1 LEU 50 2.614 0.655 5.992 400 HD21 LEU 50 3HD2 LEU 50 -1.090 0.649 5.269 401 HD22 LEU 50 1HD2 LEU 50 -0.278 1.105 3.768 402 HD23 LEU 50 2HD2 LEU 50 -1.096 2.332 4.734 403 H HIS 51 H HIS 51 1.450 1.445 9.940 404 HA HIS 51 HA HIS 51 4.149 0.319 9.793 405 HB2 HIS 51 2HB HIS 51 2.086 0.357 12.006 406 HB3 HIS 51 3HB HIS 51 3.646 -0.450 12.139 407 HD1 HIS 51 HD1 HIS 51 4.990 0.948 13.657 408 HD2 HIS 51 HD2 HIS 51 2.909 3.262 10.911 409 HE1 HIS 51 HE1 HIS 51 5.730 3.306 14.072 410 HE2 HIS 51 HE2 HIS 51 4.613 4.653 12.271 411 H GLU 52 H GLU 52 0.995 -0.616 9.007 412 HA GLU 52 HA GLU 52 1.814 -3.361 8.550 413 HB2 GLU 52 2HB GLU 52 1.020 -3.317 10.910 414 HB3 GLU 52 3HB GLU 52 -0.538 -2.731 10.352 415 HG2 GLU 52 2HG GLU 52 -0.908 -4.806 9.142 416 HG3 GLU 52 3HG GLU 52 0.686 -5.387 9.627 417 H ALA 53 H ALA 53 0.561 -4.402 6.951 418 HA ALA 53 HA ALA 53 -1.714 -2.997 5.797 419 HB1 ALA 53 3HB ALA 53 0.223 -1.830 4.847 420 HB2 ALA 53 1HB ALA 53 -0.702 -2.686 3.613 421 HB3 ALA 53 2HB ALA 53 0.821 -3.358 4.199 422 H LEU 54 H LEU 54 -2.279 -4.116 3.583 423 HA LEU 54 HA LEU 54 -2.152 -7.050 3.954 424 HB2 LEU 54 2HB LEU 54 -4.504 -5.381 3.051 425 HB3 LEU 54 3HB LEU 54 -4.484 -7.129 3.157 426 HG LEU 54 HG LEU 54 -4.031 -5.388 5.575 427 HD11 LEU 54 1HD1 LEU 54 -6.393 -5.627 6.103 428 HD12 LEU 54 2HD1 LEU 54 -6.668 -6.457 4.573 429 HD13 LEU 54 3HD1 LEU 54 -6.178 -4.764 4.581 430 HD21 LEU 54 3HD2 LEU 54 -3.358 -7.727 5.778 431 HD22 LEU 54 1HD2 LEU 54 -4.955 -8.250 5.239 432 HD23 LEU 54 2HD2 LEU 54 -4.774 -7.401 6.775 433 H ILE 55 H ILE 55 -2.053 -8.307 2.050 434 HA ILE 55 HA ILE 55 -1.693 -6.780 -0.456 435 HB ILE 55 HB ILE 55 0.456 -7.624 0.355 436 HG12 ILE 55 2HG1 ILE 55 1.150 -8.861 -1.685 437 HG13 ILE 55 3HG1 ILE 55 -0.543 -9.088 -2.106 438 HG21 ILE 55 1HG2 ILE 55 -0.751 -10.380 0.123 439 HG22 ILE 55 2HG2 ILE 55 -0.339 -9.553 1.627 440 HG23 ILE 55 3HG2 ILE 55 0.936 -10.012 0.494 441 HD11 ILE 55 3HD1 ILE 55 0.894 -6.449 -1.898 442 HD12 ILE 55 1HD1 ILE 55 -0.808 -6.666 -2.308 443 HD13 ILE 55 2HD1 ILE 55 0.444 -7.285 -3.384 444 H THR 56 H THR 56 -2.968 -7.321 -2.100 445 HA THR 56 HA THR 56 -4.826 -9.451 -2.100 446 HB THR 56 HB THR 56 -5.037 -9.011 -4.567 447 HG1 THR 56 HG1 THR 56 -2.964 -7.115 -4.026 448 HG21 THR 56 3HG2 THR 56 -6.378 -7.721 -2.975 449 HG22 THR 56 1HG2 THR 56 -5.902 -6.717 -4.346 450 HG23 THR 56 2HG2 THR 56 -5.067 -6.552 -2.803 451 H ARG 57 H ARG 57 -4.793 -11.492 -3.138 452 HA ARG 57 HA ARG 57 -2.326 -12.853 -3.144 453 HB2 ARG 57 2HB ARG 57 -4.501 -13.960 -2.778 454 HB3 ARG 57 3HB ARG 57 -4.913 -13.692 -4.465 455 HG2 ARG 57 2HG ARG 57 -4.178 -15.986 -4.071 456 HG3 ARG 57 3HG ARG 57 -3.082 -15.141 -5.167 457 HD2 ARG 57 2HD ARG 57 -1.881 -16.500 -3.491 458 HD3 ARG 57 3HD ARG 57 -1.499 -14.782 -3.363 459 HE ARG 57 HE ARG 57 -3.630 -15.524 -1.622 460 HH11 ARG 57 1HH1 ARG 57 -0.204 -15.621 -1.944 461 HH12 ARG 57 2HH1 ARG 57 0.070 -15.621 -0.240 462 HH21 ARG 57 1HH2 ARG 57 -3.278 -15.533 0.553 463 HH22 ARG 57 2HH2 ARG 57 -1.658 -15.586 1.164 464 H ASP 58 H ASP 58 -4.184 -11.403 -5.770 465 HA ASP 58 HA ASP 58 -2.465 -12.267 -7.868 466 HB2 ASP 58 2HB ASP 58 -4.312 -9.869 -7.739 467 HB3 ASP 58 3HB ASP 58 -3.611 -10.550 -9.205 468 H ARG 59 H ARG 59 -1.994 -10.105 -5.359 469 HA ARG 59 HA ARG 59 -0.451 -8.553 -4.816 470 HB2 ARG 59 2HB ARG 59 1.159 -10.164 -6.812 471 HB3 ARG 59 3HB ARG 59 1.846 -9.002 -5.677 472 HG2 ARG 59 2HG ARG 59 1.002 -10.303 -3.799 473 HG3 ARG 59 3HG ARG 59 0.260 -11.452 -4.908 474 HD2 ARG 59 2HD ARG 59 2.474 -12.088 -5.738 475 HD3 ARG 59 3HD ARG 59 3.224 -10.915 -4.649 476 HE ARG 59 HE ARG 59 1.738 -12.476 -2.995 477 HH11 ARG 59 1HH1 ARG 59 4.222 -13.153 -5.290 478 HH12 ARG 59 2HH1 ARG 59 4.729 -14.581 -4.461 479 HH21 ARG 59 1HH2 ARG 59 2.425 -14.286 -1.940 480 HH22 ARG 59 2HH2 ARG 59 3.735 -15.211 -2.597 481 H LYS 60 H LYS 60 -2.271 -7.557 -6.527 482 HA LYS 60 HA LYS 60 -0.742 -5.778 -8.316 483 HB2 LYS 60 2HB LYS 60 -3.700 -6.427 -8.327 484 HB3 LYS 60 3HB LYS 60 -2.891 -5.338 -9.447 485 HG2 LYS 60 2HG LYS 60 -1.553 -7.211 -10.298 486 HG3 LYS 60 3HG LYS 60 -2.385 -8.301 -9.185 487 HD2 LYS 60 2HD LYS 60 -3.377 -8.486 -11.391 488 HD3 LYS 60 3HD LYS 60 -4.534 -7.738 -10.291 489 HE2 LYS 60 2HE LYS 60 -4.538 -6.595 -12.434 490 HE3 LYS 60 3HE LYS 60 -3.923 -5.524 -11.176 491 HZ1 LYS 60 3HZ LYS 60 -1.658 -6.083 -11.911 492 HZ2 LYS 60 1HZ LYS 60 -2.568 -5.352 -13.137 493 HZ3 LYS 60 2HZ LYS 60 -2.305 -7.017 -13.166 494 H GLN 61 H GLN 61 -3.031 -5.866 -5.634 495 HA GLN 61 HA GLN 61 -2.548 -2.991 -5.213 496 HB2 GLN 61 2HB GLN 61 -5.231 -4.375 -5.017 497 HB3 GLN 61 3HB GLN 61 -4.914 -2.739 -4.451 498 HG2 GLN 61 2HG GLN 61 -4.285 -2.095 -6.751 499 HG3 GLN 61 3HG GLN 61 -4.701 -3.717 -7.297 500 HE21 GLN 61 1HE2 GLN 61 -7.018 -3.902 -5.514 501 HE22 GLN 61 2HE2 GLN 61 -8.232 -2.899 -6.218 502 H VAL 62 H VAL 62 -2.906 -2.242 -3.037 503 HA VAL 62 HA VAL 62 -2.492 -4.299 -0.955 504 HB VAL 62 HB VAL 62 -1.041 -1.641 -1.223 505 HG11 VAL 62 1HG1 VAL 62 0.259 -2.345 0.746 506 HG12 VAL 62 2HG1 VAL 62 -0.777 -3.761 0.917 507 HG13 VAL 62 3HG1 VAL 62 -1.453 -2.144 1.123 508 HG21 VAL 62 3HG2 VAL 62 0.007 -4.465 -1.469 509 HG22 VAL 62 1HG2 VAL 62 0.985 -2.997 -1.501 510 HG23 VAL 62 2HG2 VAL 62 -0.186 -3.304 -2.782 511 H PHE 63 H PHE 63 -3.420 -3.851 1.070 512 HA PHE 63 HA PHE 63 -5.105 -1.423 1.253 513 HB2 PHE 63 2HB PHE 63 -5.619 -4.177 2.410 514 HB3 PHE 63 3HB PHE 63 -6.588 -2.755 2.765 515 HD1 PHE 63 HD2 PHE 63 -5.556 -5.055 0.036 516 HD2 PHE 63 HD1 PHE 63 -8.317 -2.074 1.325 517 HE1 PHE 63 HE2 PHE 63 -6.984 -5.536 -1.908 518 HE2 PHE 63 HE1 PHE 63 -9.745 -2.551 -0.619 519 HZ PHE 63 HZ PHE 63 -9.078 -4.287 -2.240 520 H ARG 64 H ARG 64 -5.554 -0.747 3.559 521 HA ARG 64 HA ARG 64 -3.046 -0.889 5.103 522 HB2 ARG 64 2HB ARG 64 -3.504 1.345 4.567 523 HB3 ARG 64 3HB ARG 64 -5.227 1.163 4.849 524 HG2 ARG 64 2HG ARG 64 -4.872 1.099 7.245 525 HG3 ARG 64 3HG ARG 64 -3.124 1.143 7.017 526 HD2 ARG 64 2HD ARG 64 -3.160 3.367 6.275 527 HD3 ARG 64 3HD ARG 64 -4.891 3.324 5.940 528 HE ARG 64 HE ARG 64 -5.326 3.671 8.193 529 HH11 ARG 64 1HH1 ARG 64 -1.930 3.309 7.716 530 HH12 ARG 64 2HH1 ARG 64 -1.534 3.967 9.264 531 HH21 ARG 64 1HH2 ARG 64 -4.807 4.541 10.143 532 HH22 ARG 64 2HH2 ARG 64 -3.151 4.694 10.612 533 H ILE 65 H ILE 65 -3.062 -1.133 7.408 534 HA ILE 65 HA ILE 65 -5.615 -2.080 8.568 535 HB ILE 65 HB ILE 65 -2.809 -2.957 9.302 536 HG12 ILE 65 2HG1 ILE 65 -5.144 -4.408 8.024 537 HG13 ILE 65 3HG1 ILE 65 -3.574 -4.076 7.305 538 HG21 ILE 65 1HG2 ILE 65 -3.862 -4.433 10.957 539 HG22 ILE 65 2HG2 ILE 65 -5.437 -3.741 10.578 540 HG23 ILE 65 3HG2 ILE 65 -4.187 -2.737 11.310 541 HD11 ILE 65 3HD1 ILE 65 -4.132 -5.944 9.596 542 HD12 ILE 65 1HD1 ILE 65 -2.532 -5.576 8.952 543 HD13 ILE 65 2HD1 ILE 65 -3.724 -6.388 7.940 544 H GLU 66 H GLU 66 -6.357 -1.041 10.326 545 HA GLU 66 HA GLU 66 -4.562 0.351 12.135 546 HB2 GLU 66 2HB GLU 66 -5.694 2.505 12.004 547 HB3 GLU 66 3HB GLU 66 -5.008 2.078 10.442 548 HG2 GLU 66 2HG GLU 66 -7.203 1.433 9.624 549 HG3 GLU 66 3HG GLU 66 -7.910 1.768 11.205 550 H ASP 67 H ASP 67 -5.629 1.003 14.150 551 HA ASP 67 HA ASP 67 -6.884 0.448 15.976 552 HB2 ASP 67 2HB ASP 67 -8.582 1.727 14.669 553 HB3 ASP 67 3HB ASP 67 -9.129 0.221 13.945 554 H SER 68 H SER 68 -5.523 -1.683 14.480 555 HA SER 68 HA SER 68 -5.237 -3.941 14.545 556 HB2 SER 68 2HB SER 68 -5.813 -3.852 16.909 557 HB3 SER 68 3HB SER 68 -7.533 -3.863 16.524 558 HG SER 68 HG SER 68 -6.419 -5.976 15.352 559 H ILE 69 H ILE 69 -7.623 -2.482 13.013 560 HA ILE 69 HA ILE 69 -9.057 -4.922 12.189 561 HB ILE 69 HB ILE 69 -9.853 -2.026 11.803 562 HG12 ILE 69 2HG1 ILE 69 -9.979 -2.672 14.151 563 HG13 ILE 69 3HG1 ILE 69 -11.602 -2.521 13.490 564 HG21 ILE 69 1HG2 ILE 69 -10.731 -3.412 10.014 565 HG22 ILE 69 2HG2 ILE 69 -12.036 -2.951 11.106 566 HG23 ILE 69 3HG2 ILE 69 -11.357 -4.575 11.183 567 HD11 ILE 69 3HD1 ILE 69 -11.409 -4.451 14.946 568 HD12 ILE 69 1HD1 ILE 69 -10.116 -5.101 13.938 569 HD13 ILE 69 2HD1 ILE 69 -11.747 -4.947 13.288 570 HA PRO 70 HA PRO 70 -6.918 -4.621 8.200 571 HB2 PRO 70 2HB PRO 70 -9.001 -6.577 7.397 572 HB3 PRO 70 3HB PRO 70 -7.244 -6.713 7.314 573 HG2 PRO 70 2HG PRO 70 -8.657 -8.093 9.111 574 HG3 PRO 70 3HG PRO 70 -7.061 -7.424 9.508 575 HD2 PRO 70 2HD PRO 70 -9.782 -6.383 10.230 576 HD3 PRO 70 3HD PRO 70 -8.314 -6.478 11.227 577 H VAL 71 H VAL 71 -7.428 -2.726 7.166 578 HA VAL 71 HA VAL 71 -10.178 -1.965 6.711 579 HB VAL 71 HB VAL 71 -7.649 -0.566 5.813 580 HG11 VAL 71 1HG1 VAL 71 -9.090 1.429 5.655 581 HG12 VAL 71 2HG1 VAL 71 -10.494 0.430 6.031 582 HG13 VAL 71 3HG1 VAL 71 -9.587 0.156 4.543 583 HG21 VAL 71 3HG2 VAL 71 -7.968 0.872 7.788 584 HG22 VAL 71 1HG2 VAL 71 -7.692 -0.811 8.239 585 HG23 VAL 71 2HG2 VAL 71 -9.321 -0.139 8.297 586 H LEU 72 H LEU 72 -11.192 -3.093 5.155 587 HA LEU 72 HA LEU 72 -9.893 -3.433 2.536 588 HB2 LEU 72 2HB LEU 72 -12.466 -4.675 3.532 589 HB3 LEU 72 3HB LEU 72 -11.580 -5.110 2.083 590 HG LEU 72 HG LEU 72 -10.624 -5.533 4.924 591 HD11 LEU 72 1HD1 LEU 72 -10.934 -7.913 4.455 592 HD12 LEU 72 2HD1 LEU 72 -11.603 -7.519 2.872 593 HD13 LEU 72 3HD1 LEU 72 -12.454 -7.029 4.336 594 HD21 LEU 72 3HD2 LEU 72 -9.360 -6.410 2.322 595 HD22 LEU 72 1HD2 LEU 72 -8.768 -6.756 3.949 596 HD23 LEU 72 2HD2 LEU 72 -8.780 -5.098 3.348 597 H LEU 73 H LEU 73 -10.300 -0.971 2.412 598 HA LEU 73 HA LEU 73 -13.074 -0.433 1.520 599 HB2 LEU 73 2HB LEU 73 -11.086 1.466 2.770 600 HB3 LEU 73 3HB LEU 73 -12.658 1.934 2.148 601 HG LEU 73 HG LEU 73 -12.156 0.071 4.483 602 HD11 LEU 73 1HD1 LEU 73 -13.120 1.855 5.841 603 HD12 LEU 73 2HD1 LEU 73 -13.267 2.879 4.415 604 HD13 LEU 73 3HD1 LEU 73 -11.673 2.409 5.005 605 HD21 LEU 73 3HD2 LEU 73 -14.589 0.145 4.809 606 HD22 LEU 73 1HD2 LEU 73 -14.159 -0.590 3.265 607 HD23 LEU 73 2HD2 LEU 73 -14.760 1.066 3.315 608 HA PRO 74 HA PRO 74 -11.232 0.103 -2.518 609 HB2 PRO 74 2HB PRO 74 -13.400 1.301 -3.714 610 HB3 PRO 74 3HB PRO 74 -13.253 -0.440 -3.447 611 HG2 PRO 74 2HG PRO 74 -14.694 1.613 -1.798 612 HG3 PRO 74 3HG PRO 74 -15.243 0.003 -2.304 613 HD2 PRO 74 2HD PRO 74 -14.309 0.432 0.168 614 HD3 PRO 74 3HD PRO 74 -13.945 -1.080 -0.696 615 H GLU 75 H GLU 75 -12.045 2.577 -0.371 616 HA GLU 75 HA GLU 75 -11.326 4.793 -2.086 617 HB2 GLU 75 2HB GLU 75 -11.522 6.164 -0.050 618 HB3 GLU 75 3HB GLU 75 -12.941 5.153 -0.291 619 HG2 GLU 75 2HG GLU 75 -12.193 3.613 1.410 620 HG3 GLU 75 3HG GLU 75 -10.676 4.491 1.587 621 H GLU 76 H GLU 76 -9.685 2.842 0.409 622 HA GLU 76 HA GLU 76 -7.401 4.686 0.315 623 HB2 GLU 76 2HB GLU 76 -6.693 3.494 2.436 624 HB3 GLU 76 3HB GLU 76 -8.138 4.486 2.522 625 HG2 GLU 76 2HG GLU 76 -8.638 2.564 3.751 626 HG3 GLU 76 3HG GLU 76 -9.468 2.349 2.212 627 H ALA 77 H ALA 77 -8.248 1.549 -0.731 628 HA ALA 77 HA ALA 77 -5.927 0.096 -0.659 629 HB1 ALA 77 3HB ALA 77 -7.823 0.256 -3.002 630 HB2 ALA 77 1HB ALA 77 -8.051 -0.735 -1.561 631 HB3 ALA 77 2HB ALA 77 -6.707 -1.064 -2.652 632 H ILE 78 H ILE 78 -3.942 0.212 -1.530 633 HA ILE 78 HA ILE 78 -3.315 2.358 -3.437 634 HB ILE 78 HB ILE 78 -1.420 0.617 -1.834 635 HG12 ILE 78 2HG1 ILE 78 -2.782 1.994 -0.338 636 HG13 ILE 78 3HG1 ILE 78 -1.128 2.594 -0.376 637 HG21 ILE 78 1HG2 ILE 78 0.261 2.339 -2.392 638 HG22 ILE 78 2HG2 ILE 78 -0.922 3.136 -3.428 639 HG23 ILE 78 3HG2 ILE 78 -0.360 1.512 -3.822 640 HD11 ILE 78 3HD1 ILE 78 -2.694 4.427 -0.386 641 HD12 ILE 78 1HD1 ILE 78 -3.491 3.778 -1.819 642 HD13 ILE 78 2HD1 ILE 78 -1.833 4.368 -1.925 643 H ALA 79 H ALA 79 -2.178 1.976 -5.383 644 HA ALA 79 HA ALA 79 -2.385 -0.769 -6.420 645 HB1 ALA 79 3HB ALA 79 -1.873 1.817 -7.893 646 HB2 ALA 79 1HB ALA 79 -3.429 1.002 -7.744 647 HB3 ALA 79 2HB ALA 79 -2.113 0.234 -8.633 648 H THR 80 H THR 80 -0.625 -2.044 -6.615 649 HA THR 80 HA THR 80 1.923 -1.282 -5.688 650 HB THR 80 HB THR 80 2.743 -3.435 -6.584 651 HG1 THR 80 HG1 THR 80 1.266 -4.763 -7.737 652 HG21 THR 80 3HG2 THR 80 1.265 -4.915 -5.309 653 HG22 THR 80 1HG2 THR 80 0.025 -3.661 -5.272 654 HG23 THR 80 2HG2 THR 80 1.555 -3.415 -4.432 655 H ILE 81 H ILE 81 0.641 -1.480 -8.971 656 HA ILE 81 HA ILE 81 3.040 -1.211 -10.402 657 HB ILE 81 HB ILE 81 0.864 -1.877 -11.399 658 HG12 ILE 81 2HG1 ILE 81 1.119 -0.618 -13.540 659 HG13 ILE 81 3HG1 ILE 81 2.199 0.511 -12.725 660 HG21 ILE 81 1HG2 ILE 81 0.181 1.055 -11.132 661 HG22 ILE 81 2HG2 ILE 81 -0.596 -0.293 -10.296 662 HG23 ILE 81 3HG2 ILE 81 -0.753 -0.131 -12.046 663 HD11 ILE 81 3HD1 ILE 81 2.694 -2.437 -13.107 664 HD12 ILE 81 1HD1 ILE 81 3.776 -1.298 -12.302 665 HD13 ILE 81 2HD1 ILE 81 3.436 -1.124 -14.023 666 H GLN 82 H GLN 82 1.324 1.126 -8.535 667 HA GLN 82 HA GLN 82 2.551 3.420 -9.877 668 HB2 GLN 82 2HB GLN 82 0.182 3.511 -9.116 669 HB3 GLN 82 3HB GLN 82 0.729 3.335 -7.456 670 HG2 GLN 82 2HG GLN 82 0.228 5.635 -7.869 671 HG3 GLN 82 3HG GLN 82 1.971 5.470 -7.685 672 HE21 GLN 82 1HE2 GLN 82 0.231 4.575 -10.594 673 HE22 GLN 82 2HE2 GLN 82 0.877 5.827 -11.589 674 H ILE 83 H ILE 83 3.306 1.280 -7.366 675 HA ILE 83 HA ILE 83 4.710 3.119 -5.642 676 HB ILE 83 HB ILE 83 4.743 0.092 -5.718 677 HG12 ILE 83 2HG1 ILE 83 2.518 0.995 -5.233 678 HG13 ILE 83 3HG1 ILE 83 3.203 0.243 -3.797 679 HG21 ILE 83 1HG2 ILE 83 5.691 0.194 -3.470 680 HG22 ILE 83 2HG2 ILE 83 5.733 1.954 -3.557 681 HG23 ILE 83 3HG2 ILE 83 6.747 0.995 -4.634 682 HD11 ILE 83 3HD1 ILE 83 2.060 2.304 -3.243 683 HD12 ILE 83 1HD1 ILE 83 3.087 3.197 -4.362 684 HD13 ILE 83 2HD1 ILE 83 3.789 2.452 -2.927 685 H ALA 84 H ALA 84 6.439 4.108 -6.539 686 HA ALA 84 HA ALA 84 8.026 3.141 -8.619 687 HB1 ALA 84 3HB ALA 84 8.794 5.237 -6.592 688 HB2 ALA 84 1HB ALA 84 7.796 5.516 -8.019 689 HB3 ALA 84 2HB ALA 84 9.480 5.026 -8.203 690 H ASN 85 H ASN 85 8.241 2.302 -5.286 691 HA ASN 85 HA ASN 85 10.999 1.323 -5.631 692 HB2 ASN 85 2HB ASN 85 9.377 1.967 -3.181 693 HB3 ASN 85 3HB ASN 85 10.786 0.917 -3.072 694 HD21 ASN 85 1HD2 ASN 85 9.675 4.151 -3.625 695 HD22 ASN 85 2HD2 ASN 85 11.225 4.906 -3.554 696 H PHE 86 H PHE 86 7.906 0.144 -5.932 697 HA PHE 86 HA PHE 86 8.167 -2.422 -4.728 698 HB2 PHE 86 2HB PHE 86 6.053 -1.118 -5.585 699 HB3 PHE 86 3HB PHE 86 6.417 -1.901 -7.117 700 HD1 PHE 86 HD1 PHE 86 5.626 -2.495 -3.575 701 HD2 PHE 86 HD2 PHE 86 5.827 -4.179 -7.479 702 HE1 PHE 86 HE1 PHE 86 4.437 -4.504 -2.768 703 HE2 PHE 86 HE2 PHE 86 4.646 -6.188 -6.685 704 HZ PHE 86 HZ PHE 86 3.951 -6.352 -4.325 705 HA PRO 87 HA PRO 87 10.871 -4.524 -7.667 706 HB2 PRO 87 2HB PRO 87 9.537 -7.003 -7.505 707 HB3 PRO 87 3HB PRO 87 10.902 -6.488 -6.514 708 HG2 PRO 87 2HG PRO 87 7.984 -6.435 -5.888 709 HG3 PRO 87 3HG PRO 87 9.357 -6.775 -4.818 710 HD2 PRO 87 2HD PRO 87 8.091 -4.424 -4.724 711 HD3 PRO 87 3HD PRO 87 9.857 -4.510 -4.544 712 H ASP 88 H ASP 88 10.685 -4.224 -9.813 713 HA ASP 88 HA ASP 88 8.309 -3.557 -11.079 714 HB2 ASP 88 2HB ASP 88 9.571 -3.686 -13.187 715 HB3 ASP 88 3HB ASP 88 10.491 -2.878 -11.923 716 H LYS 89 H LYS 89 6.704 -4.629 -12.038 717 HA LYS 89 HA LYS 89 6.872 -7.563 -12.194 718 HB2 LYS 89 2HB LYS 89 4.437 -5.764 -12.354 719 HB3 LYS 89 3HB LYS 89 4.425 -7.522 -12.286 720 HG2 LYS 89 2HG LYS 89 5.503 -7.372 -10.034 721 HG3 LYS 89 3HG LYS 89 5.292 -5.622 -10.111 722 HD2 LYS 89 2HD LYS 89 3.473 -6.599 -8.844 723 HD3 LYS 89 3HD LYS 89 2.852 -5.960 -10.368 724 HE2 LYS 89 2HE LYS 89 2.925 -8.229 -11.327 725 HE3 LYS 89 3HE LYS 89 3.493 -8.856 -9.780 726 HZ1 LYS 89 3HZ LYS 89 1.171 -9.221 -9.915 727 HZ2 LYS 89 1HZ LYS 89 0.864 -7.618 -10.365 728 HZ3 LYS 89 2HZ LYS 89 1.403 -7.972 -8.802 729 H LEU 90 H LEU 90 5.160 -8.338 -14.039 730 HA LEU 90 HA LEU 90 6.200 -7.202 -16.551 731 HB2 LEU 90 2HB LEU 90 6.107 -9.813 -15.660 732 HB3 LEU 90 3HB LEU 90 4.700 -9.735 -16.701 733 HG LEU 90 HG LEU 90 7.549 -9.115 -17.520 734 HD11 LEU 90 1HD1 LEU 90 5.769 -11.445 -18.246 735 HD12 LEU 90 2HD1 LEU 90 7.133 -11.498 -17.128 736 HD13 LEU 90 3HD1 LEU 90 7.408 -11.155 -18.835 737 HD21 LEU 90 3HD2 LEU 90 5.021 -9.150 -19.175 738 HD22 LEU 90 1HD2 LEU 90 6.660 -8.990 -19.808 739 HD23 LEU 90 2HD2 LEU 90 5.988 -7.733 -18.771 740 H GLU 91 H GLU 91 3.789 -6.375 -14.798 741 HA GLU 91 HA GLU 91 1.665 -6.617 -16.818 742 HB2 GLU 91 2HB GLU 91 0.109 -5.882 -15.060 743 HB3 GLU 91 3HB GLU 91 1.005 -7.317 -14.584 744 HG2 GLU 91 2HG GLU 91 2.377 -6.077 -13.095 745 HG3 GLU 91 3HG GLU 91 1.786 -4.540 -13.723 746 H HIS 92 H HIS 92 1.492 -5.000 -18.225 747 HA HIS 92 HA HIS 92 2.113 -2.253 -17.408 748 HB2 HIS 92 2HB HIS 92 2.809 -3.203 -19.670 749 HB3 HIS 92 3HB HIS 92 1.107 -3.189 -20.114 750 HD1 HIS 92 HD1 HIS 92 0.758 -1.273 -21.647 751 HD2 HIS 92 HD2 HIS 92 3.370 -0.317 -18.558 752 HE1 HIS 92 HE1 HIS 92 1.326 1.149 -21.969 753 HE2 HIS 92 HE2 HIS 92 3.028 1.657 -20.190 754 H HIS 93 H HIS 93 0.523 -1.311 -16.242 755 HA HIS 93 HA HIS 93 -2.024 -2.427 -15.968 756 HB2 HIS 93 2HB HIS 93 -0.671 -0.839 -14.397 757 HB3 HIS 93 3HB HIS 93 -1.519 0.446 -15.249 758 HD1 HIS 93 HD1 HIS 93 -4.228 0.262 -15.128 759 HD2 HIS 93 HD2 HIS 93 -2.089 -1.994 -12.378 760 HE1 HIS 93 HE1 HIS 93 -5.874 -0.349 -13.340 761 HE2 HIS 93 HE2 HIS 93 -4.514 -1.552 -11.600 762 H HIS 94 H HIS 94 -0.993 0.295 -17.995 763 HA HIS 94 HA HIS 94 -1.948 1.283 -19.805 764 HB2 HIS 94 2HB HIS 94 -2.259 -0.965 -20.634 765 HB3 HIS 94 3HB HIS 94 -3.732 -1.158 -19.695 766 HD1 HIS 94 HD1 HIS 94 -2.413 0.785 -22.672 767 HD2 HIS 94 HD2 HIS 94 -6.019 -0.393 -20.978 768 HE1 HIS 94 HE1 HIS 94 -4.173 1.381 -24.356 769 HE2 HIS 94 HE2 HIS 94 -6.320 0.502 -23.383 770 H HIS 95 H HIS 95 -4.940 -0.077 -18.383 771 HA HIS 95 HA HIS 95 -6.343 2.408 -18.555 772 HB2 HIS 95 2HB HIS 95 -7.477 0.209 -18.644 773 HB3 HIS 95 3HB HIS 95 -7.024 -0.088 -16.969 774 HD1 HIS 95 HD1 HIS 95 -9.369 1.945 -19.082 775 HD2 HIS 95 HD2 HIS 95 -8.610 1.204 -15.062 776 HE1 HIS 95 HE1 HIS 95 -11.321 2.913 -17.835 777 HE2 HIS 95 HE2 HIS 95 -10.771 2.586 -15.407 778 H HIS 96 H HIS 96 -6.205 4.102 -17.186 779 HA HIS 96 HA HIS 96 -4.962 3.637 -14.538 780 HB2 HIS 96 2HB HIS 96 -4.043 5.886 -14.673 781 HB3 HIS 96 3HB HIS 96 -3.595 4.982 -16.116 782 HD1 HIS 96 HD1 HIS 96 -5.908 7.762 -14.987 783 HD2 HIS 96 HD2 HIS 96 -4.486 6.050 -18.502 784 HE1 HIS 96 HE1 HIS 96 -6.662 9.283 -16.830 785 HE2 HIS 96 HE2 HIS 96 -5.732 8.275 -18.936 786 H HIS 97 H HIS 97 -5.585 5.054 -12.789 787 HA HIS 97 HA HIS 97 -8.334 6.045 -12.931 788 HB2 HIS 97 2HB HIS 97 -7.782 4.756 -10.950 789 HB3 HIS 97 3HB HIS 97 -6.401 5.788 -10.606 790 HD1 HIS 97 HD1 HIS 97 -10.190 5.936 -10.679 791 HD2 HIS 97 HD2 HIS 97 -6.962 7.963 -9.027 792 HE1 HIS 97 HE1 HIS 97 -11.186 7.628 -9.118 793 HE2 HIS 97 HE2 HIS 97 -9.215 8.750 -8.040 Start of MODEL 16 1 H1 MET 1 1H MET 1 4.083 -12.302 -35.708 2 H2 MET 1 2H MET 1 4.074 -13.701 -34.755 3 H3 MET 1 3H MET 1 5.015 -12.372 -34.304 4 HA MET 1 HA MET 1 3.080 -11.031 -33.930 5 HB2 MET 1 2HB MET 1 0.832 -12.114 -34.003 6 HB3 MET 1 3HB MET 1 1.593 -11.947 -35.578 7 HG2 MET 1 2HG MET 1 1.443 -14.472 -33.937 8 HG3 MET 1 3HG MET 1 0.472 -14.091 -35.356 9 HE1 MET 1 3HE MET 1 1.482 -13.860 -37.827 10 HE2 MET 1 1HE MET 1 3.193 -14.067 -38.200 11 HE3 MET 1 2HE MET 1 2.659 -12.677 -37.254 12 H ASP 2 H ASP 2 2.957 -10.750 -31.788 13 HA ASP 2 HA ASP 2 3.941 -12.782 -30.044 14 HB2 ASP 2 2HB ASP 2 2.701 -10.111 -29.355 15 HB3 ASP 2 3HB ASP 2 3.625 -11.132 -28.258 16 H ARG 3 H ARG 3 2.367 -14.498 -30.297 17 HA ARG 3 HA ARG 3 -0.328 -14.162 -29.363 18 HB2 ARG 3 2HB ARG 3 -0.522 -16.566 -29.495 19 HB3 ARG 3 3HB ARG 3 0.350 -15.992 -30.910 20 HG2 ARG 3 2HG ARG 3 2.473 -16.673 -29.857 21 HG3 ARG 3 3HG ARG 3 1.566 -17.291 -28.472 22 HD2 ARG 3 2HD ARG 3 1.430 -18.266 -31.331 23 HD3 ARG 3 3HD ARG 3 2.103 -19.126 -29.945 24 HE ARG 3 HE ARG 3 -0.537 -18.595 -29.315 25 HH11 ARG 3 1HH1 ARG 3 1.155 -20.350 -31.744 26 HH12 ARG 3 2HH1 ARG 3 -0.129 -21.477 -31.983 27 HH21 ARG 3 1HH2 ARG 3 -2.184 -20.035 -29.637 28 HH22 ARG 3 2HH2 ARG 3 -2.005 -21.307 -30.797 29 H LYS 4 H LYS 4 2.698 -14.515 -27.868 30 HA LYS 4 HA LYS 4 2.048 -15.630 -25.385 31 HB2 LYS 4 2HB LYS 4 4.055 -14.326 -24.569 32 HB3 LYS 4 3HB LYS 4 4.343 -15.356 -25.968 33 HG2 LYS 4 2HG LYS 4 4.195 -13.421 -27.448 34 HG3 LYS 4 3HG LYS 4 3.859 -12.377 -26.066 35 HD2 LYS 4 2HD LYS 4 6.396 -13.967 -26.496 36 HD3 LYS 4 3HD LYS 4 6.207 -12.237 -26.783 37 HE2 LYS 4 2HE LYS 4 5.623 -11.962 -24.374 38 HE3 LYS 4 3HE LYS 4 5.979 -13.672 -24.137 39 HZ1 LYS 4 3HZ LYS 4 8.252 -13.233 -24.917 40 HZ2 LYS 4 1HZ LYS 4 7.868 -12.352 -23.524 41 HZ3 LYS 4 2HZ LYS 4 7.892 -11.585 -25.031 42 H LEU 5 H LEU 5 1.414 -12.420 -26.650 43 HA LEU 5 HA LEU 5 0.736 -11.290 -24.075 44 HB2 LEU 5 2HB LEU 5 0.621 -10.329 -26.905 45 HB3 LEU 5 3HB LEU 5 -0.356 -9.507 -25.706 46 HG LEU 5 HG LEU 5 1.760 -8.345 -26.058 47 HD11 LEU 5 1HD1 LEU 5 0.735 -8.231 -23.850 48 HD12 LEU 5 2HD1 LEU 5 2.494 -8.174 -23.739 49 HD13 LEU 5 3HD1 LEU 5 1.631 -9.663 -23.344 50 HD21 LEU 5 3HD2 LEU 5 3.891 -9.347 -25.419 51 HD22 LEU 5 1HD2 LEU 5 3.136 -10.245 -26.733 52 HD23 LEU 5 2HD2 LEU 5 3.084 -10.881 -25.089 53 H LEU 6 H LEU 6 -0.918 -13.189 -26.424 54 HA LEU 6 HA LEU 6 -3.576 -12.249 -25.866 55 HB2 LEU 6 2HB LEU 6 -2.628 -14.757 -27.261 56 HB3 LEU 6 3HB LEU 6 -4.290 -14.193 -27.226 57 HG LEU 6 HG LEU 6 -1.959 -12.763 -28.523 58 HD11 LEU 6 1HD1 LEU 6 -2.650 -14.740 -29.767 59 HD12 LEU 6 2HD1 LEU 6 -3.107 -13.273 -30.629 60 HD13 LEU 6 3HD1 LEU 6 -4.326 -14.192 -29.744 61 HD21 LEU 6 3HD2 LEU 6 -3.640 -11.196 -29.382 62 HD22 LEU 6 1HD2 LEU 6 -3.569 -11.169 -27.619 63 HD23 LEU 6 2HD2 LEU 6 -4.887 -12.011 -28.437 64 H HIS 7 H HIS 7 -1.765 -13.515 -23.680 65 HA HIS 7 HA HIS 7 -3.205 -15.785 -22.700 66 HB2 HIS 7 2HB HIS 7 -1.831 -15.552 -20.696 67 HB3 HIS 7 3HB HIS 7 -0.829 -15.350 -22.129 68 HD1 HIS 7 HD1 HIS 7 0.567 -13.286 -22.218 69 HD2 HIS 7 HD2 HIS 7 -2.460 -12.990 -19.393 70 HE1 HIS 7 HE1 HIS 7 0.980 -11.124 -21.014 71 HE2 HIS 7 HE2 HIS 7 -0.986 -10.872 -19.469 72 H LEU 8 H LEU 8 -4.344 -12.816 -23.049 73 HA LEU 8 HA LEU 8 -5.059 -11.473 -20.895 74 HB2 LEU 8 2HB LEU 8 -7.042 -12.250 -23.033 75 HB3 LEU 8 3HB LEU 8 -7.168 -10.857 -21.970 76 HG LEU 8 HG LEU 8 -5.049 -11.297 -24.082 77 HD11 LEU 8 1HD1 LEU 8 -6.104 -9.419 -25.226 78 HD12 LEU 8 2HD1 LEU 8 -7.339 -9.332 -23.971 79 HD13 LEU 8 3HD1 LEU 8 -7.238 -10.752 -25.014 80 HD21 LEU 8 3HD2 LEU 8 -4.303 -9.031 -23.553 81 HD22 LEU 8 1HD2 LEU 8 -4.142 -10.095 -22.158 82 HD23 LEU 8 2HD2 LEU 8 -5.473 -8.939 -22.236 83 H LEU 9 H LEU 9 -5.704 -11.988 -18.944 84 HA LEU 9 HA LEU 9 -8.101 -13.633 -18.571 85 HB2 LEU 9 2HB LEU 9 -5.900 -14.978 -18.287 86 HB3 LEU 9 3HB LEU 9 -5.677 -14.052 -16.816 87 HG LEU 9 HG LEU 9 -8.077 -15.824 -17.346 88 HD11 LEU 9 1HD1 LEU 9 -7.025 -17.426 -15.826 89 HD12 LEU 9 2HD1 LEU 9 -5.587 -16.408 -15.741 90 HD13 LEU 9 3HD1 LEU 9 -6.044 -17.166 -17.267 91 HD21 LEU 9 3HD2 LEU 9 -8.437 -15.645 -14.921 92 HD22 LEU 9 1HD2 LEU 9 -8.528 -14.071 -15.712 93 HD23 LEU 9 2HD2 LEU 9 -7.083 -14.519 -14.805 94 H CYS 10 H CYS 10 -9.416 -12.127 -17.715 95 HA CYS 10 HA CYS 10 -8.416 -9.968 -16.083 96 HB2 CYS 10 2HB CYS 10 -10.244 -9.577 -17.668 97 HB3 CYS 10 3HB CYS 10 -11.264 -10.713 -16.792 98 HG CYS 10 HG CYS 10 -11.627 -9.181 -14.572 99 H SER 11 H SER 11 -8.832 -9.546 -13.930 100 HA SER 11 HA SER 11 -9.081 -11.752 -12.157 101 HB2 SER 11 2HB SER 11 -9.312 -8.789 -11.539 102 HB3 SER 11 3HB SER 11 -9.040 -10.072 -10.363 103 HG SER 11 HG SER 11 -7.254 -9.926 -12.501 104 HA PRO 12 HA PRO 12 -13.532 -11.975 -11.715 105 HB2 PRO 12 2HB PRO 12 -13.053 -12.937 -8.965 106 HB3 PRO 12 3HB PRO 12 -13.825 -13.760 -10.320 107 HG2 PRO 12 2HG PRO 12 -11.391 -14.490 -9.443 108 HG3 PRO 12 3HG PRO 12 -11.816 -14.544 -11.169 109 HD2 PRO 12 2HD PRO 12 -10.221 -12.478 -9.674 110 HD3 PRO 12 3HD PRO 12 -9.910 -13.207 -11.267 111 H ASP 13 H ASP 13 -14.715 -10.196 -11.381 112 HA ASP 13 HA ASP 13 -13.878 -7.980 -9.913 113 HB2 ASP 13 2HB ASP 13 -16.180 -7.106 -10.329 114 HB3 ASP 13 3HB ASP 13 -15.388 -7.739 -11.769 115 H THR 14 H THR 14 -15.691 -10.741 -8.819 116 HA THR 14 HA THR 14 -16.248 -9.356 -6.260 117 HB THR 14 HB THR 14 -18.309 -10.063 -7.360 118 HG1 THR 14 HG1 THR 14 -17.720 -11.747 -5.125 119 HG21 THR 14 3HG2 THR 14 -17.458 -11.925 -8.687 120 HG22 THR 14 1HG2 THR 14 -18.812 -12.450 -7.688 121 HG23 THR 14 2HG2 THR 14 -17.163 -12.857 -7.220 122 H ARG 15 H ARG 15 -13.896 -11.184 -7.372 123 HA ARG 15 HA ARG 15 -13.642 -12.685 -4.841 124 HB2 ARG 15 2HB ARG 15 -14.216 -14.291 -6.616 125 HB3 ARG 15 3HB ARG 15 -12.850 -13.731 -7.569 126 HG2 ARG 15 2HG ARG 15 -12.050 -15.683 -6.614 127 HG3 ARG 15 3HG ARG 15 -11.411 -14.435 -5.547 128 HD2 ARG 15 2HD ARG 15 -13.795 -16.224 -5.060 129 HD3 ARG 15 3HD ARG 15 -12.255 -16.245 -4.206 130 HE ARG 15 HE ARG 15 -14.347 -14.195 -3.951 131 HH11 ARG 15 1HH1 ARG 15 -11.410 -15.608 -2.812 132 HH12 ARG 15 2HH1 ARG 15 -11.513 -14.820 -1.276 133 HH21 ARG 15 1HH2 ARG 15 -14.449 -13.194 -1.969 134 HH22 ARG 15 2HH2 ARG 15 -13.201 -13.478 -0.804 135 H GLN 16 H GLN 16 -12.303 -11.136 -3.965 136 HA GLN 16 HA GLN 16 -9.673 -10.742 -5.254 137 HB2 GLN 16 2HB GLN 16 -11.183 -9.086 -3.220 138 HB3 GLN 16 3HB GLN 16 -9.489 -8.809 -3.604 139 HG2 GLN 16 2HG GLN 16 -11.584 -8.808 -5.752 140 HG3 GLN 16 3HG GLN 16 -11.280 -7.377 -4.771 141 HE21 GLN 16 1HE2 GLN 16 -9.332 -6.294 -4.988 142 HE22 GLN 16 2HE2 GLN 16 -8.285 -6.537 -6.335 143 HA PRO 17 HA PRO 17 -8.458 -13.628 -1.885 144 HB2 PRO 17 2HB PRO 17 -5.909 -13.525 -3.401 145 HB3 PRO 17 3HB PRO 17 -6.851 -14.925 -2.880 146 HG2 PRO 17 2HG PRO 17 -6.782 -14.189 -5.454 147 HG3 PRO 17 3HG PRO 17 -8.267 -14.823 -4.717 148 HD2 PRO 17 2HD PRO 17 -7.524 -11.983 -5.333 149 HD3 PRO 17 3HD PRO 17 -9.083 -12.808 -5.540 150 H LEU 18 H LEU 18 -8.302 -12.257 -0.149 151 HA LEU 18 HA LEU 18 -6.156 -10.239 -0.114 152 HB2 LEU 18 2HB LEU 18 -8.560 -9.548 0.165 153 HB3 LEU 18 3HB LEU 18 -8.593 -10.439 1.669 154 HG LEU 18 HG LEU 18 -8.317 -7.906 1.808 155 HD11 LEU 18 1HD1 LEU 18 -6.809 -8.000 3.705 156 HD12 LEU 18 2HD1 LEU 18 -6.238 -9.591 3.203 157 HD13 LEU 18 3HD1 LEU 18 -7.911 -9.374 3.717 158 HD21 LEU 18 3HD2 LEU 18 -6.062 -7.016 1.534 159 HD22 LEU 18 1HD2 LEU 18 -6.686 -7.648 0.014 160 HD23 LEU 18 2HD2 LEU 18 -5.505 -8.576 0.937 161 H SER 19 H SER 19 -4.528 -10.322 1.343 162 HA SER 19 HA SER 19 -4.742 -11.879 3.799 163 HB2 SER 19 2HB SER 19 -2.691 -12.535 1.661 164 HB3 SER 19 3HB SER 19 -2.560 -13.073 3.335 165 HG SER 19 HG SER 19 -4.989 -13.604 2.122 166 H LEU 20 H LEU 20 -2.455 -11.700 4.997 167 HA LEU 20 HA LEU 20 -1.992 -8.910 5.380 168 HB2 LEU 20 2HB LEU 20 -1.780 -10.951 7.024 169 HB3 LEU 20 3HB LEU 20 -0.142 -11.042 6.419 170 HG LEU 20 HG LEU 20 -0.314 -9.835 8.569 171 HD11 LEU 20 1HD1 LEU 20 1.537 -9.308 7.057 172 HD12 LEU 20 2HD1 LEU 20 1.037 -7.897 7.988 173 HD13 LEU 20 3HD1 LEU 20 0.561 -8.050 6.297 174 HD21 LEU 20 3HD2 LEU 20 -2.519 -8.856 8.295 175 HD22 LEU 20 1HD2 LEU 20 -1.924 -7.823 6.997 176 HD23 LEU 20 2HD2 LEU 20 -1.329 -7.602 8.644 177 H LEU 21 H LEU 21 -0.343 -7.587 4.663 178 HA LEU 21 HA LEU 21 1.103 -8.379 2.326 179 HB2 LEU 21 2HB LEU 21 0.259 -6.135 2.526 180 HB3 LEU 21 3HB LEU 21 1.172 -5.868 3.996 181 HG LEU 21 HG LEU 21 3.263 -5.862 2.759 182 HD11 LEU 21 1HD1 LEU 21 3.328 -6.036 0.328 183 HD12 LEU 21 2HD1 LEU 21 1.598 -6.364 0.290 184 HD13 LEU 21 3HD1 LEU 21 2.699 -7.521 1.044 185 HD21 LEU 21 3HD2 LEU 21 1.177 -4.124 1.438 186 HD22 LEU 21 1HD2 LEU 21 2.918 -3.849 1.417 187 HD23 LEU 21 2HD2 LEU 21 2.031 -3.761 2.938 188 H GLU 22 H GLU 22 3.124 -9.123 2.092 189 HA GLU 22 HA GLU 22 4.642 -9.999 4.306 190 HB2 GLU 22 2HB GLU 22 6.353 -10.633 2.646 191 HB3 GLU 22 3HB GLU 22 4.744 -11.168 2.180 192 HG2 GLU 22 2HG GLU 22 4.559 -9.395 0.562 193 HG3 GLU 22 3HG GLU 22 6.080 -8.687 1.111 194 H SER 23 H SER 23 6.960 -9.467 4.680 195 HA SER 23 HA SER 23 7.156 -6.779 5.494 196 HB2 SER 23 2HB SER 23 9.456 -7.344 6.179 197 HB3 SER 23 3HB SER 23 8.318 -8.601 6.659 198 HG SER 23 HG SER 23 10.506 -8.888 5.222 199 H LYS 24 H LYS 24 8.744 -8.478 2.781 200 HA LYS 24 HA LYS 24 10.397 -6.264 2.105 201 HB2 LYS 24 2HB LYS 24 10.890 -8.655 1.551 202 HB3 LYS 24 3HB LYS 24 9.649 -8.573 0.305 203 HG2 LYS 24 2HG LYS 24 10.943 -7.365 -1.104 204 HG3 LYS 24 3HG LYS 24 11.696 -6.445 0.198 205 HD2 LYS 24 2HD LYS 24 12.360 -9.282 -0.607 206 HD3 LYS 24 3HD LYS 24 13.345 -7.849 -0.910 207 HE2 LYS 24 2HE LYS 24 12.655 -9.037 1.785 208 HE3 LYS 24 3HE LYS 24 14.231 -9.059 0.995 209 HZ1 LYS 24 3HZ LYS 24 14.302 -6.644 1.163 210 HZ2 LYS 24 1HZ LYS 24 14.125 -7.349 2.688 211 HZ3 LYS 24 2HZ LYS 24 12.798 -6.627 1.933 212 H GLY 25 H GLY 25 7.247 -7.347 0.910 213 HA2 GLY 25 2HA GLY 25 6.963 -5.301 -1.058 214 HA3 GLY 25 3HA GLY 25 5.653 -6.201 -0.305 215 H LEU 26 H LEU 26 5.901 -5.562 2.313 216 HA LEU 26 HA LEU 26 4.521 -3.171 2.575 217 HB2 LEU 26 2HB LEU 26 4.494 -4.979 4.222 218 HB3 LEU 26 3HB LEU 26 6.166 -4.656 4.631 219 HG LEU 26 HG LEU 26 5.524 -2.459 5.544 220 HD11 LEU 26 1HD1 LEU 26 3.593 -1.990 4.130 221 HD12 LEU 26 2HD1 LEU 26 3.154 -1.894 5.835 222 HD13 LEU 26 3HD1 LEU 26 2.700 -3.310 4.886 223 HD21 LEU 26 3HD2 LEU 26 5.602 -4.396 7.021 224 HD22 LEU 26 1HD2 LEU 26 3.920 -4.773 6.645 225 HD23 LEU 26 2HD2 LEU 26 4.320 -3.293 7.512 226 H GLU 27 H GLU 27 8.004 -3.764 3.130 227 HA GLU 27 HA GLU 27 8.617 -1.144 3.974 228 HB2 GLU 27 2HB GLU 27 10.946 -1.688 3.544 229 HB3 GLU 27 3HB GLU 27 10.142 -3.042 4.323 230 HG2 GLU 27 2HG GLU 27 9.971 -4.186 2.171 231 HG3 GLU 27 3HG GLU 27 10.756 -2.818 1.382 232 H ALA 28 H ALA 28 8.237 -2.517 0.753 233 HA ALA 28 HA ALA 28 9.454 -0.417 -0.713 234 HB1 ALA 28 3HB ALA 28 8.176 -1.273 -2.632 235 HB2 ALA 28 1HB ALA 28 7.225 -2.286 -1.542 236 HB3 ALA 28 2HB ALA 28 8.954 -2.576 -1.732 237 H LEU 29 H LEU 29 6.143 -0.906 0.467 238 HA LEU 29 HA LEU 29 4.984 1.422 -0.620 239 HB2 LEU 29 2HB LEU 29 4.348 -0.242 1.808 240 HB3 LEU 29 3HB LEU 29 3.456 1.230 1.482 241 HG LEU 29 HG LEU 29 2.233 -0.734 0.697 242 HD11 LEU 29 1HD1 LEU 29 3.267 0.974 -1.566 243 HD12 LEU 29 2HD1 LEU 29 1.914 1.354 -0.498 244 HD13 LEU 29 3HD1 LEU 29 1.807 -0.016 -1.606 245 HD21 LEU 29 3HD2 LEU 29 4.581 -1.215 -1.138 246 HD22 LEU 29 1HD2 LEU 29 3.055 -2.098 -1.152 247 HD23 LEU 29 2HD2 LEU 29 4.127 -2.213 0.244 248 H ASN 30 H ASN 30 6.472 0.886 2.581 249 HA ASN 30 HA ASN 30 6.253 3.502 3.554 250 HB2 ASN 30 2HB ASN 30 8.238 1.310 4.156 251 HB3 ASN 30 3HB ASN 30 8.246 2.849 5.012 252 HD21 ASN 30 1HD2 ASN 30 6.444 -0.080 4.424 253 HD22 ASN 30 2HD2 ASN 30 5.367 0.095 5.759 254 H LYS 31 H LYS 31 8.793 2.051 1.545 255 HA LYS 31 HA LYS 31 10.531 4.252 1.400 256 HB2 LYS 31 2HB LYS 31 9.991 1.858 -0.257 257 HB3 LYS 31 3HB LYS 31 10.730 3.201 -1.112 258 HG2 LYS 31 2HG LYS 31 12.402 1.634 -0.302 259 HG3 LYS 31 3HG LYS 31 12.588 3.213 0.453 260 HD2 LYS 31 2HD LYS 31 11.528 2.403 2.484 261 HD3 LYS 31 3HD LYS 31 11.207 0.841 1.726 262 HE2 LYS 31 2HE LYS 31 13.165 0.769 3.216 263 HE3 LYS 31 3HE LYS 31 13.590 0.407 1.545 264 HZ1 LYS 31 3HZ LYS 31 15.193 1.903 2.549 265 HZ2 LYS 31 1HZ LYS 31 13.976 3.023 2.903 266 HZ3 LYS 31 2HZ LYS 31 14.374 2.685 1.294 267 H ALA 32 H ALA 32 7.791 3.392 -0.712 268 HA ALA 32 HA ALA 32 7.973 5.649 -2.400 269 HB1 ALA 32 3HB ALA 32 5.752 5.027 -3.174 270 HB2 ALA 32 1HB ALA 32 5.552 3.953 -1.788 271 HB3 ALA 32 2HB ALA 32 6.776 3.603 -3.008 272 H ILE 33 H ILE 33 6.279 5.153 0.661 273 HA ILE 33 HA ILE 33 4.736 7.517 0.660 274 HB ILE 33 HB ILE 33 5.858 5.891 2.949 275 HG12 ILE 33 2HG1 ILE 33 3.072 6.084 1.761 276 HG13 ILE 33 3HG1 ILE 33 4.200 4.752 1.524 277 HG21 ILE 33 1HG2 ILE 33 3.883 8.175 3.073 278 HG22 ILE 33 2HG2 ILE 33 5.509 8.153 3.756 279 HG23 ILE 33 3HG2 ILE 33 4.266 7.086 4.409 280 HD11 ILE 33 3HD1 ILE 33 4.090 4.264 3.926 281 HD12 ILE 33 1HD1 ILE 33 2.515 4.159 3.138 282 HD13 ILE 33 2HD1 ILE 33 2.918 5.569 4.120 283 H VAL 34 H VAL 34 7.925 6.871 2.150 284 HA VAL 34 HA VAL 34 8.450 9.538 2.926 285 HB VAL 34 HB VAL 34 10.441 7.351 2.250 286 HG11 VAL 34 1HG1 VAL 34 11.994 8.579 3.712 287 HG12 VAL 34 2HG1 VAL 34 10.799 9.863 3.894 288 HG13 VAL 34 3HG1 VAL 34 11.512 9.541 2.313 289 HG21 VAL 34 3HG2 VAL 34 10.454 6.880 4.660 290 HG22 VAL 34 1HG2 VAL 34 8.852 6.643 3.962 291 HG23 VAL 34 2HG2 VAL 34 9.194 8.092 4.905 292 H SER 35 H SER 35 8.805 7.856 -0.108 293 HA SER 35 HA SER 35 10.352 9.965 -1.367 294 HB2 SER 35 2HB SER 35 10.687 7.634 -2.063 295 HB3 SER 35 3HB SER 35 9.006 7.535 -2.579 296 HG SER 35 HG SER 35 10.006 9.641 -3.788 297 H GLY 36 H GLY 36 7.074 9.529 -0.663 298 HA2 GLY 36 2HA GLY 36 5.228 10.801 -1.172 299 HA3 GLY 36 3HA GLY 36 6.298 11.909 -2.012 300 H THR 37 H THR 37 5.389 8.500 -2.615 301 HA THR 37 HA THR 37 3.970 9.275 -5.049 302 HB THR 37 HB THR 37 6.202 9.041 -5.932 303 HG1 THR 37 HG1 THR 37 4.652 6.712 -6.542 304 HG21 THR 37 3HG2 THR 37 7.517 7.002 -5.739 305 HG22 THR 37 1HG2 THR 37 6.262 6.261 -4.747 306 HG23 THR 37 2HG2 THR 37 7.162 7.648 -4.136 307 H VAL 38 H VAL 38 2.677 8.341 -2.943 308 HA VAL 38 HA VAL 38 1.985 5.558 -3.678 309 HB VAL 38 HB VAL 38 1.667 6.852 -0.955 310 HG11 VAL 38 1HG1 VAL 38 -0.151 5.288 -1.451 311 HG12 VAL 38 2HG1 VAL 38 0.911 4.650 -0.197 312 HG13 VAL 38 3HG1 VAL 38 1.028 4.033 -1.845 313 HG21 VAL 38 3HG2 VAL 38 3.336 5.218 -0.212 314 HG22 VAL 38 1HG2 VAL 38 3.988 6.292 -1.446 315 HG23 VAL 38 2HG2 VAL 38 3.517 4.647 -1.870 316 H GLN 39 H GLN 39 0.369 6.005 -5.137 317 HA GLN 39 HA GLN 39 -1.756 7.869 -4.457 318 HB2 GLN 39 2HB GLN 39 -1.386 6.119 -6.901 319 HB3 GLN 39 3HB GLN 39 -2.673 7.297 -6.694 320 HG2 GLN 39 2HG GLN 39 -1.174 8.461 -7.992 321 HG3 GLN 39 3HG GLN 39 -0.729 8.993 -6.376 322 HE21 GLN 39 1HE2 GLN 39 0.835 8.924 -8.847 323 HE22 GLN 39 2HE2 GLN 39 2.229 7.968 -8.501 324 H ARG 40 H ARG 40 -3.515 7.294 -3.361 325 HA ARG 40 HA ARG 40 -4.313 4.514 -3.054 326 HB2 ARG 40 2HB ARG 40 -5.776 7.007 -2.140 327 HB3 ARG 40 3HB ARG 40 -6.030 5.366 -1.567 328 HG2 ARG 40 2HG ARG 40 -3.782 5.368 -0.579 329 HG3 ARG 40 3HG ARG 40 -3.542 7.022 -1.146 330 HD2 ARG 40 2HD ARG 40 -5.604 6.072 0.850 331 HD3 ARG 40 3HD ARG 40 -4.179 7.053 1.188 332 HE ARG 40 HE ARG 40 -5.495 8.574 -0.591 333 HH11 ARG 40 1HH1 ARG 40 -6.527 6.986 2.291 334 HH12 ARG 40 2HH1 ARG 40 -7.751 8.165 2.627 335 HH21 ARG 40 1HH2 ARG 40 -7.093 10.053 -0.176 336 HH22 ARG 40 2HH2 ARG 40 -8.062 9.891 1.250 337 H ALA 41 H ALA 41 -6.660 3.893 -3.488 338 HA ALA 41 HA ALA 41 -7.424 4.332 -6.145 339 HB1 ALA 41 3HB ALA 41 -9.559 3.291 -5.545 340 HB2 ALA 41 1HB ALA 41 -9.173 3.482 -3.834 341 HB3 ALA 41 2HB ALA 41 -8.198 2.413 -4.843 342 H ASP 42 H ASP 42 -8.437 5.956 -3.173 343 HA ASP 42 HA ASP 42 -10.271 7.794 -4.102 344 HB2 ASP 42 2HB ASP 42 -9.791 7.773 -1.781 345 HB3 ASP 42 3HB ASP 42 -8.066 8.006 -2.049 346 H GLY 43 H GLY 43 -6.734 7.938 -4.327 347 HA2 GLY 43 2HA GLY 43 -5.894 8.908 -6.467 348 HA3 GLY 43 3HA GLY 43 -6.983 10.250 -6.161 349 H SER 44 H SER 44 -6.415 10.392 -3.298 350 HA SER 44 HA SER 44 -4.199 12.172 -3.422 351 HB2 SER 44 2HB SER 44 -4.533 12.538 -1.062 352 HB3 SER 44 3HB SER 44 -6.118 12.395 -1.823 353 HG SER 44 HG SER 44 -5.457 11.116 0.235 354 H ILE 45 H ILE 45 -2.275 12.094 -2.064 355 HA ILE 45 HA ILE 45 -0.951 9.517 -2.277 356 HB ILE 45 HB ILE 45 0.148 12.194 -1.371 357 HG12 ILE 45 2HG1 ILE 45 -0.643 12.240 -3.713 358 HG13 ILE 45 3HG1 ILE 45 1.109 12.367 -3.622 359 HG21 ILE 45 1HG2 ILE 45 1.494 10.365 -0.519 360 HG22 ILE 45 2HG2 ILE 45 2.360 11.191 -1.813 361 HG23 ILE 45 3HG2 ILE 45 1.579 9.640 -2.125 362 HD11 ILE 45 3HD1 ILE 45 1.323 10.023 -4.224 363 HD12 ILE 45 1HD1 ILE 45 0.397 10.910 -5.433 364 HD13 ILE 45 2HD1 ILE 45 -0.434 9.867 -4.277 365 H GLN 46 H GLN 46 -0.245 8.253 -0.577 366 HA GLN 46 HA GLN 46 -1.313 8.803 2.062 367 HB2 GLN 46 2HB GLN 46 -1.363 6.523 1.129 368 HB3 GLN 46 3HB GLN 46 0.393 6.503 1.073 369 HG2 GLN 46 2HG GLN 46 -0.482 5.245 2.980 370 HG3 GLN 46 3HG GLN 46 0.506 6.611 3.494 371 HE21 GLN 46 1HE2 GLN 46 -2.736 5.348 3.276 372 HE22 GLN 46 2HE2 GLN 46 -3.452 6.450 4.395 373 H ASN 47 H ASN 47 -0.260 10.225 3.326 374 HA ASN 47 HA ASN 47 2.603 10.639 3.063 375 HB2 ASN 47 2HB ASN 47 0.535 12.009 4.795 376 HB3 ASN 47 3HB ASN 47 2.230 12.474 4.719 377 HD21 ASN 47 1HD2 ASN 47 3.021 13.430 2.831 378 HD22 ASN 47 2HD2 ASN 47 1.963 14.132 1.663 379 H GLN 48 H GLN 48 0.480 8.973 5.267 380 HA GLN 48 HA GLN 48 2.429 8.956 7.425 381 HB2 GLN 48 2HB GLN 48 -0.281 7.641 7.161 382 HB3 GLN 48 3HB GLN 48 0.735 7.525 8.593 383 HG2 GLN 48 2HG GLN 48 0.642 9.990 8.809 384 HG3 GLN 48 3HG GLN 48 -0.461 10.041 7.435 385 HE21 GLN 48 1HE2 GLN 48 -2.568 9.296 7.697 386 HE22 GLN 48 2HE2 GLN 48 -3.262 9.039 9.256 387 H SER 49 H SER 49 4.076 7.585 7.471 388 HA SER 49 HA SER 49 4.443 5.383 5.778 389 HB2 SER 49 2HB SER 49 6.353 4.801 7.228 390 HB3 SER 49 3HB SER 49 6.312 6.529 6.882 391 HG SER 49 HG SER 49 5.373 5.276 9.267 392 H LEU 50 H LEU 50 2.908 3.788 5.786 393 HA LEU 50 HA LEU 50 2.006 2.673 8.309 394 HB2 LEU 50 2HB LEU 50 0.665 1.139 6.658 395 HB3 LEU 50 3HB LEU 50 0.176 2.791 6.968 396 HG LEU 50 HG LEU 50 1.438 3.417 4.829 397 HD11 LEU 50 1HD1 LEU 50 1.666 1.636 3.152 398 HD12 LEU 50 2HD1 LEU 50 1.310 0.437 4.398 399 HD13 LEU 50 3HD1 LEU 50 2.764 1.429 4.518 400 HD21 LEU 50 3HD2 LEU 50 -0.996 1.647 4.589 401 HD22 LEU 50 1HD2 LEU 50 -0.452 2.845 3.413 402 HD23 LEU 50 2HD2 LEU 50 -1.002 3.362 5.005 403 H HIS 51 H HIS 51 3.277 1.291 9.314 404 HA HIS 51 HA HIS 51 4.844 -0.676 7.810 405 HB2 HIS 51 2HB HIS 51 4.821 0.067 10.746 406 HB3 HIS 51 3HB HIS 51 5.817 -1.217 10.067 407 HD1 HIS 51 HD1 HIS 51 5.737 2.412 10.614 408 HD2 HIS 51 HD2 HIS 51 7.814 -0.259 8.199 409 HE1 HIS 51 HE1 HIS 51 7.717 3.686 9.748 410 HE2 HIS 51 HE2 HIS 51 8.885 2.094 8.192 411 H GLU 52 H GLU 52 1.862 -0.684 8.199 412 HA GLU 52 HA GLU 52 1.636 -3.546 8.599 413 HB2 GLU 52 2HB GLU 52 1.300 -2.578 10.876 414 HB3 GLU 52 3HB GLU 52 -0.031 -1.620 10.249 415 HG2 GLU 52 2HG GLU 52 -1.321 -3.596 9.804 416 HG3 GLU 52 3HG GLU 52 0.045 -4.629 10.230 417 H ALA 53 H ALA 53 0.290 -4.315 7.036 418 HA ALA 53 HA ALA 53 -1.950 -2.843 6.022 419 HB1 ALA 53 3HB ALA 53 -0.153 -1.554 4.983 420 HB2 ALA 53 1HB ALA 53 -1.098 -2.424 3.771 421 HB3 ALA 53 2HB ALA 53 0.490 -3.026 4.252 422 H LEU 54 H LEU 54 -2.741 -3.860 3.895 423 HA LEU 54 HA LEU 54 -2.469 -6.800 4.049 424 HB2 LEU 54 2HB LEU 54 -4.848 -5.132 3.216 425 HB3 LEU 54 3HB LEU 54 -4.795 -6.885 3.213 426 HG LEU 54 HG LEU 54 -4.446 -5.233 5.720 427 HD11 LEU 54 1HD1 LEU 54 -6.633 -4.732 4.813 428 HD12 LEU 54 2HD1 LEU 54 -6.793 -5.779 6.221 429 HD13 LEU 54 3HD1 LEU 54 -6.972 -6.450 4.603 430 HD21 LEU 54 3HD2 LEU 54 -3.572 -7.541 5.772 431 HD22 LEU 54 1HD2 LEU 54 -5.169 -8.142 5.320 432 HD23 LEU 54 2HD2 LEU 54 -4.938 -7.317 6.865 433 H ILE 55 H ILE 55 -2.766 -7.952 1.999 434 HA ILE 55 HA ILE 55 -2.272 -6.372 -0.427 435 HB ILE 55 HB ILE 55 -0.062 -7.066 0.490 436 HG12 ILE 55 2HG1 ILE 55 0.791 -8.159 -1.598 437 HG13 ILE 55 3HG1 ILE 55 -0.874 -8.385 -2.118 438 HG21 ILE 55 1HG2 ILE 55 0.591 -9.426 0.468 439 HG22 ILE 55 2HG2 ILE 55 -1.052 -9.884 0.015 440 HG23 ILE 55 3HG2 ILE 55 -0.744 -9.140 1.585 441 HD11 ILE 55 3HD1 ILE 55 0.510 -5.756 -1.648 442 HD12 ILE 55 1HD1 ILE 55 -1.180 -5.950 -2.113 443 HD13 ILE 55 2HD1 ILE 55 0.098 -6.472 -3.206 444 H THR 56 H THR 56 -3.169 -7.241 -2.272 445 HA THR 56 HA THR 56 -4.772 -9.603 -2.210 446 HB THR 56 HB THR 56 -4.794 -9.422 -4.702 447 HG1 THR 56 HG1 THR 56 -2.944 -7.315 -4.172 448 HG21 THR 56 3HG2 THR 56 -5.949 -7.259 -4.827 449 HG22 THR 56 1HG2 THR 56 -5.277 -6.804 -3.262 450 HG23 THR 56 2HG2 THR 56 -6.418 -8.144 -3.376 451 H ARG 57 H ARG 57 -4.264 -11.716 -2.876 452 HA ARG 57 HA ARG 57 -1.547 -12.468 -2.511 453 HB2 ARG 57 2HB ARG 57 -3.853 -14.165 -3.486 454 HB3 ARG 57 3HB ARG 57 -2.312 -14.763 -2.879 455 HG2 ARG 57 2HG ARG 57 -2.857 -13.537 -0.713 456 HG3 ARG 57 3HG ARG 57 -4.492 -13.355 -1.351 457 HD2 ARG 57 2HD ARG 57 -4.427 -15.289 0.072 458 HD3 ARG 57 3HD ARG 57 -4.615 -15.824 -1.598 459 HE ARG 57 HE ARG 57 -2.286 -16.462 -1.584 460 HH11 ARG 57 1HH1 ARG 57 -3.604 -15.668 1.503 461 HH12 ARG 57 2HH1 ARG 57 -2.437 -16.610 2.363 462 HH21 ARG 57 1HH2 ARG 57 -0.783 -17.642 -0.464 463 HH22 ARG 57 2HH2 ARG 57 -0.853 -17.713 1.261 464 H ASP 58 H ASP 58 -3.151 -11.401 -5.280 465 HA ASP 58 HA ASP 58 -1.234 -12.621 -7.120 466 HB2 ASP 58 2HB ASP 58 -3.577 -12.386 -7.840 467 HB3 ASP 58 3HB ASP 58 -3.481 -10.643 -7.613 468 H ARG 59 H ARG 59 -1.382 -10.006 -5.053 469 HA ARG 59 HA ARG 59 -0.118 -8.179 -4.642 470 HB2 ARG 59 2HB ARG 59 1.725 -9.590 -6.576 471 HB3 ARG 59 3HB ARG 59 2.160 -8.066 -5.814 472 HG2 ARG 59 2HG ARG 59 3.156 -9.788 -4.528 473 HG3 ARG 59 3HG ARG 59 1.798 -9.169 -3.589 474 HD2 ARG 59 2HD ARG 59 0.433 -11.085 -4.442 475 HD3 ARG 59 3HD ARG 59 1.892 -11.730 -5.196 476 HE ARG 59 HE ARG 59 1.206 -11.771 -2.392 477 HH11 ARG 59 1HH1 ARG 59 3.758 -12.049 -4.694 478 HH12 ARG 59 2HH1 ARG 59 4.795 -12.904 -3.614 479 HH21 ARG 59 1HH2 ARG 59 2.534 -12.871 -1.020 480 HH22 ARG 59 2HH2 ARG 59 4.105 -13.360 -1.538 481 H LYS 60 H LYS 60 -2.151 -8.084 -6.741 482 HA LYS 60 HA LYS 60 -1.094 -6.077 -8.591 483 HB2 LYS 60 2HB LYS 60 -3.348 -6.255 -9.670 484 HB3 LYS 60 3HB LYS 60 -2.419 -7.743 -9.647 485 HG2 LYS 60 2HG LYS 60 -4.318 -8.692 -8.927 486 HG3 LYS 60 3HG LYS 60 -3.897 -8.003 -7.362 487 HD2 LYS 60 2HD LYS 60 -6.224 -7.523 -7.948 488 HD3 LYS 60 3HD LYS 60 -5.277 -6.039 -7.843 489 HE2 LYS 60 2HE LYS 60 -6.812 -6.067 -9.784 490 HE3 LYS 60 3HE LYS 60 -5.121 -5.917 -10.254 491 HZ1 LYS 60 3HZ LYS 60 -5.099 -8.281 -10.769 492 HZ2 LYS 60 1HZ LYS 60 -6.294 -7.484 -11.658 493 HZ3 LYS 60 2HZ LYS 60 -6.723 -8.421 -10.323 494 H GLN 61 H GLN 61 -2.976 -6.243 -5.702 495 HA GLN 61 HA GLN 61 -3.127 -3.315 -5.654 496 HB2 GLN 61 2HB GLN 61 -5.504 -5.136 -5.213 497 HB3 GLN 61 3HB GLN 61 -5.466 -3.456 -4.692 498 HG2 GLN 61 2HG GLN 61 -5.223 -2.711 -6.983 499 HG3 GLN 61 3HG GLN 61 -5.147 -4.382 -7.542 500 HE21 GLN 61 1HE2 GLN 61 -7.029 -2.278 -8.256 501 HE22 GLN 61 2HE2 GLN 61 -8.596 -2.874 -7.846 502 H VAL 62 H VAL 62 -3.177 -2.391 -3.579 503 HA VAL 62 HA VAL 62 -2.559 -4.214 -1.328 504 HB VAL 62 HB VAL 62 -1.694 -1.324 -1.662 505 HG11 VAL 62 1HG1 VAL 62 -0.214 -1.742 0.236 506 HG12 VAL 62 2HG1 VAL 62 -0.839 -3.386 0.376 507 HG13 VAL 62 3HG1 VAL 62 -1.901 -2.010 0.682 508 HG21 VAL 62 3HG2 VAL 62 -0.061 -3.837 -2.029 509 HG22 VAL 62 1HG2 VAL 62 0.555 -2.185 -2.092 510 HG23 VAL 62 2HG2 VAL 62 -0.592 -2.748 -3.312 511 H PHE 63 H PHE 63 -3.440 -3.680 0.747 512 HA PHE 63 HA PHE 63 -5.478 -1.544 0.808 513 HB2 PHE 63 2HB PHE 63 -5.708 -4.352 1.898 514 HB3 PHE 63 3HB PHE 63 -6.748 -3.044 2.448 515 HD1 PHE 63 HD2 PHE 63 -5.878 -5.201 -0.411 516 HD2 PHE 63 HD1 PHE 63 -8.513 -2.197 1.072 517 HE1 PHE 63 HE2 PHE 63 -7.411 -5.619 -2.290 518 HE2 PHE 63 HE1 PHE 63 -10.049 -2.616 -0.804 519 HZ PHE 63 HZ PHE 63 -9.498 -4.328 -2.487 520 H ARG 64 H ARG 64 -5.956 -0.768 3.057 521 HA ARG 64 HA ARG 64 -3.371 -0.530 4.460 522 HB2 ARG 64 2HB ARG 64 -4.199 1.531 3.445 523 HB3 ARG 64 3HB ARG 64 -5.717 1.377 4.316 524 HG2 ARG 64 2HG ARG 64 -4.505 1.651 6.445 525 HG3 ARG 64 3HG ARG 64 -3.000 1.852 5.544 526 HD2 ARG 64 2HD ARG 64 -3.846 3.857 4.495 527 HD3 ARG 64 3HD ARG 64 -5.430 3.623 5.233 528 HE ARG 64 HE ARG 64 -2.986 4.193 6.786 529 HH11 ARG 64 1HH1 ARG 64 -6.339 4.656 6.149 530 HH12 ARG 64 2HH1 ARG 64 -6.579 5.654 7.538 531 HH21 ARG 64 1HH2 ARG 64 -3.304 5.525 8.545 532 HH22 ARG 64 2HH2 ARG 64 -4.871 6.176 8.855 533 H ILE 65 H ILE 65 -3.258 -0.514 6.733 534 HA ILE 65 HA ILE 65 -5.712 -1.258 8.218 535 HB ILE 65 HB ILE 65 -2.891 -2.163 8.873 536 HG12 ILE 65 2HG1 ILE 65 -5.220 -3.780 7.792 537 HG13 ILE 65 3HG1 ILE 65 -3.777 -3.330 6.886 538 HG21 ILE 65 1HG2 ILE 65 -5.522 -2.904 10.159 539 HG22 ILE 65 2HG2 ILE 65 -4.298 -1.839 10.852 540 HG23 ILE 65 3HG2 ILE 65 -3.936 -3.546 10.594 541 HD11 ILE 65 3HD1 ILE 65 -3.860 -5.114 9.312 542 HD12 ILE 65 1HD1 ILE 65 -2.407 -4.654 8.421 543 HD13 ILE 65 2HD1 ILE 65 -3.651 -5.629 7.639 544 H GLU 66 H GLU 66 -6.190 0.047 9.942 545 HA GLU 66 HA GLU 66 -4.021 1.531 11.248 546 HB2 GLU 66 2HB GLU 66 -5.224 3.632 11.244 547 HB3 GLU 66 3HB GLU 66 -5.014 3.086 9.585 548 HG2 GLU 66 2HG GLU 66 -7.295 2.423 9.423 549 HG3 GLU 66 3HG GLU 66 -7.551 2.638 11.153 550 H ASP 67 H ASP 67 -4.346 1.917 13.438 551 HA ASP 67 HA ASP 67 -5.165 1.574 15.535 552 HB2 ASP 67 2HB ASP 67 -6.859 3.190 14.657 553 HB3 ASP 67 3HB ASP 67 -7.864 1.830 14.171 554 H SER 68 H SER 68 -4.575 -0.748 13.967 555 HA SER 68 HA SER 68 -4.685 -3.019 14.091 556 HB2 SER 68 2HB SER 68 -6.616 -2.588 16.386 557 HB3 SER 68 3HB SER 68 -5.784 -4.091 16.000 558 HG SER 68 HG SER 68 -4.850 -1.806 17.257 559 H ILE 69 H ILE 69 -6.924 -1.223 12.820 560 HA ILE 69 HA ILE 69 -8.945 -3.326 12.397 561 HB ILE 69 HB ILE 69 -9.128 -0.359 11.805 562 HG12 ILE 69 2HG1 ILE 69 -9.103 -0.772 14.209 563 HG13 ILE 69 3HG1 ILE 69 -10.721 -0.303 13.702 564 HG21 ILE 69 1HG2 ILE 69 -10.502 -1.658 10.275 565 HG22 ILE 69 2HG2 ILE 69 -11.520 -0.786 11.420 566 HG23 ILE 69 3HG2 ILE 69 -11.241 -2.517 11.630 567 HD11 ILE 69 3HD1 ILE 69 -10.835 -2.084 15.313 568 HD12 ILE 69 1HD1 ILE 69 -9.780 -3.092 14.325 569 HD13 ILE 69 2HD1 ILE 69 -11.391 -2.668 13.748 570 HA PRO 70 HA PRO 70 -7.105 -3.745 8.279 571 HB2 PRO 70 2HB PRO 70 -9.234 -5.732 7.851 572 HB3 PRO 70 3HB PRO 70 -7.483 -5.954 7.855 573 HG2 PRO 70 2HG PRO 70 -9.053 -6.916 9.825 574 HG3 PRO 70 3HG PRO 70 -7.403 -6.340 10.131 575 HD2 PRO 70 2HD PRO 70 -10.018 -4.939 10.606 576 HD3 PRO 70 3HD PRO 70 -8.578 -5.021 11.648 577 H VAL 71 H VAL 71 -7.660 -1.929 7.115 578 HA VAL 71 HA VAL 71 -10.419 -1.283 6.560 579 HB VAL 71 HB VAL 71 -7.925 0.018 5.433 580 HG11 VAL 71 1HG1 VAL 71 -9.930 0.524 4.136 581 HG12 VAL 71 2HG1 VAL 71 -9.391 1.948 5.026 582 HG13 VAL 71 3HG1 VAL 71 -10.774 1.017 5.606 583 HG21 VAL 71 3HG2 VAL 71 -8.217 1.706 7.199 584 HG22 VAL 71 1HG2 VAL 71 -7.904 0.105 7.871 585 HG23 VAL 71 2HG2 VAL 71 -9.540 0.762 7.879 586 H LEU 72 H LEU 72 -11.206 -3.013 5.348 587 HA LEU 72 HA LEU 72 -10.013 -3.811 2.849 588 HB2 LEU 72 2HB LEU 72 -12.758 -4.408 3.975 589 HB3 LEU 72 3HB LEU 72 -12.017 -5.216 2.606 590 HG LEU 72 HG LEU 72 -11.005 -5.317 5.455 591 HD11 LEU 72 1HD1 LEU 72 -13.077 -6.549 5.213 592 HD12 LEU 72 2HD1 LEU 72 -11.725 -7.668 5.385 593 HD13 LEU 72 3HD1 LEU 72 -12.443 -7.392 3.796 594 HD21 LEU 72 3HD2 LEU 72 -9.472 -7.046 4.617 595 HD22 LEU 72 1HD2 LEU 72 -9.180 -5.484 3.851 596 HD23 LEU 72 2HD2 LEU 72 -10.041 -6.749 2.973 597 H LEU 73 H LEU 73 -11.362 -0.978 3.511 598 HA LEU 73 HA LEU 73 -13.366 -0.657 1.515 599 HB2 LEU 73 2HB LEU 73 -11.622 1.423 2.846 600 HB3 LEU 73 3HB LEU 73 -13.051 1.764 1.889 601 HG LEU 73 HG LEU 73 -13.021 0.252 4.509 602 HD11 LEU 73 1HD1 LEU 73 -12.541 2.623 4.816 603 HD12 LEU 73 2HD1 LEU 73 -14.153 2.227 5.415 604 HD13 LEU 73 3HD1 LEU 73 -13.965 3.049 3.865 605 HD21 LEU 73 3HD2 LEU 73 -15.325 1.126 2.759 606 HD22 LEU 73 1HD2 LEU 73 -15.474 0.426 4.372 607 HD23 LEU 73 2HD2 LEU 73 -14.803 -0.534 3.053 608 HA PRO 74 HA PRO 74 -10.586 -0.842 -1.999 609 HB2 PRO 74 2HB PRO 74 -12.409 0.148 -3.844 610 HB3 PRO 74 3HB PRO 74 -12.284 -1.543 -3.352 611 HG2 PRO 74 2HG PRO 74 -14.163 0.578 -2.396 612 HG3 PRO 74 3HG PRO 74 -14.486 -1.132 -2.743 613 HD2 PRO 74 2HD PRO 74 -14.208 -0.251 -0.223 614 HD3 PRO 74 3HD PRO 74 -13.588 -1.841 -0.713 615 H GLU 75 H GLU 75 -12.436 2.040 -1.149 616 HA GLU 75 HA GLU 75 -11.147 3.927 -2.777 617 HB2 GLU 75 2HB GLU 75 -11.983 5.591 -1.149 618 HB3 GLU 75 3HB GLU 75 -13.217 4.421 -1.606 619 HG2 GLU 75 2HG GLU 75 -12.659 3.164 0.505 620 HG3 GLU 75 3HG GLU 75 -11.655 4.538 0.964 621 H GLU 76 H GLU 76 -10.162 2.459 0.247 622 HA GLU 76 HA GLU 76 -7.974 4.354 0.661 623 HB2 GLU 76 2HB GLU 76 -9.439 3.488 2.531 624 HB3 GLU 76 3HB GLU 76 -8.708 1.909 2.294 625 HG2 GLU 76 2HG GLU 76 -7.662 3.003 4.157 626 HG3 GLU 76 3HG GLU 76 -6.502 2.875 2.837 627 H ALA 77 H ALA 77 -8.433 1.653 -1.183 628 HA ALA 77 HA ALA 77 -6.105 0.117 -0.679 629 HB1 ALA 77 3HB ALA 77 -6.597 -0.992 -2.788 630 HB2 ALA 77 1HB ALA 77 -7.749 0.278 -3.205 631 HB3 ALA 77 2HB ALA 77 -8.066 -0.786 -1.836 632 H ILE 78 H ILE 78 -4.224 -0.115 -1.999 633 HA ILE 78 HA ILE 78 -3.401 2.375 -3.375 634 HB ILE 78 HB ILE 78 -1.653 0.425 -1.849 635 HG12 ILE 78 2HG1 ILE 78 -2.472 3.254 -1.113 636 HG13 ILE 78 3HG1 ILE 78 -3.148 1.797 -0.395 637 HG21 ILE 78 1HG2 ILE 78 0.125 2.096 -2.162 638 HG22 ILE 78 2HG2 ILE 78 -0.965 3.060 -3.159 639 HG23 ILE 78 3HG2 ILE 78 -0.458 1.459 -3.700 640 HD11 ILE 78 3HD1 ILE 78 -0.281 2.701 -0.211 641 HD12 ILE 78 1HD1 ILE 78 -0.938 1.222 0.493 642 HD13 ILE 78 2HD1 ILE 78 -1.497 2.797 1.061 643 H ALA 79 H ALA 79 -2.463 2.219 -5.382 644 HA ALA 79 HA ALA 79 -2.612 -0.360 -6.731 645 HB1 ALA 79 3HB ALA 79 -3.515 1.636 -7.823 646 HB2 ALA 79 1HB ALA 79 -2.219 0.907 -8.776 647 HB3 ALA 79 2HB ALA 79 -1.908 2.364 -7.828 648 H THR 80 H THR 80 -0.925 -1.717 -6.709 649 HA THR 80 HA THR 80 1.639 -1.158 -5.767 650 HB THR 80 HB THR 80 2.347 -3.304 -6.807 651 HG1 THR 80 HG1 THR 80 0.654 -4.491 -7.927 652 HG21 THR 80 3HG2 THR 80 0.780 -4.752 -5.589 653 HG22 THR 80 1HG2 THR 80 -0.354 -3.407 -5.446 654 HG23 THR 80 2HG2 THR 80 1.212 -3.331 -4.637 655 H ILE 81 H ILE 81 0.455 -1.149 -9.094 656 HA ILE 81 HA ILE 81 2.908 -0.944 -10.427 657 HB ILE 81 HB ILE 81 0.770 -1.483 -11.534 658 HG12 ILE 81 2HG1 ILE 81 2.104 0.955 -12.754 659 HG13 ILE 81 3HG1 ILE 81 2.755 -0.680 -12.830 660 HG21 ILE 81 1HG2 ILE 81 0.157 1.460 -11.225 661 HG22 ILE 81 2HG2 ILE 81 -0.663 0.135 -10.402 662 HG23 ILE 81 3HG2 ILE 81 -0.793 0.300 -12.152 663 HD11 ILE 81 3HD1 ILE 81 0.152 0.247 -14.020 664 HD12 ILE 81 1HD1 ILE 81 0.782 -1.401 -14.076 665 HD13 ILE 81 2HD1 ILE 81 1.644 -0.099 -14.892 666 H GLN 82 H GLN 82 1.232 1.452 -8.578 667 HA GLN 82 HA GLN 82 2.559 3.722 -9.822 668 HB2 GLN 82 2HB GLN 82 0.824 3.544 -7.344 669 HB3 GLN 82 3HB GLN 82 1.420 5.041 -8.048 670 HG2 GLN 82 2HG GLN 82 -0.398 3.079 -9.439 671 HG3 GLN 82 3HG GLN 82 -0.921 4.558 -8.637 672 HE21 GLN 82 1HE2 GLN 82 0.776 3.237 -11.378 673 HE22 GLN 82 2HE2 GLN 82 0.785 4.684 -12.317 674 H ILE 83 H ILE 83 3.294 1.447 -7.402 675 HA ILE 83 HA ILE 83 5.027 3.171 -5.844 676 HB ILE 83 HB ILE 83 4.765 0.155 -5.723 677 HG12 ILE 83 2HG1 ILE 83 2.594 1.187 -5.297 678 HG13 ILE 83 3HG1 ILE 83 3.255 0.560 -3.792 679 HG21 ILE 83 1HG2 ILE 83 5.703 0.388 -3.465 680 HG22 ILE 83 2HG2 ILE 83 5.888 2.123 -3.725 681 HG23 ILE 83 3HG2 ILE 83 6.816 0.982 -4.698 682 HD11 ILE 83 3HD1 ILE 83 3.231 3.440 -4.671 683 HD12 ILE 83 1HD1 ILE 83 3.960 2.835 -3.183 684 HD13 ILE 83 2HD1 ILE 83 2.218 2.704 -3.429 685 H ALA 84 H ALA 84 6.606 3.895 -7.280 686 HA ALA 84 HA ALA 84 8.052 2.352 -9.110 687 HB1 ALA 84 3HB ALA 84 9.658 4.182 -9.160 688 HB2 ALA 84 1HB ALA 84 8.987 4.831 -7.662 689 HB3 ALA 84 2HB ALA 84 8.006 4.801 -9.129 690 H ASN 85 H ASN 85 8.440 2.645 -5.679 691 HA ASN 85 HA ASN 85 11.134 1.553 -5.666 692 HB2 ASN 85 2HB ASN 85 9.277 2.335 -3.408 693 HB3 ASN 85 3HB ASN 85 10.931 1.766 -3.188 694 HD21 ASN 85 1HD2 ASN 85 9.708 4.338 -2.507 695 HD22 ASN 85 2HD2 ASN 85 10.660 5.533 -3.310 696 H PHE 86 H PHE 86 8.231 0.122 -6.118 697 HA PHE 86 HA PHE 86 8.418 -2.128 -4.369 698 HB2 PHE 86 2HB PHE 86 6.383 -1.146 -5.737 699 HB3 PHE 86 3HB PHE 86 6.957 -2.242 -6.987 700 HD1 PHE 86 HD1 PHE 86 5.750 -2.042 -3.519 701 HD2 PHE 86 HD2 PHE 86 6.490 -4.572 -6.861 702 HE1 PHE 86 HE1 PHE 86 4.528 -3.868 -2.401 703 HE2 PHE 86 HE2 PHE 86 5.271 -6.400 -5.754 704 HZ PHE 86 HZ PHE 86 4.288 -6.051 -3.520 705 HA PRO 87 HA PRO 87 11.731 -4.121 -6.664 706 HB2 PRO 87 2HB PRO 87 11.754 -6.487 -5.317 707 HB3 PRO 87 3HB PRO 87 12.425 -4.993 -4.655 708 HG2 PRO 87 2HG PRO 87 9.745 -6.251 -4.145 709 HG3 PRO 87 3HG PRO 87 10.889 -5.547 -2.986 710 HD2 PRO 87 2HD PRO 87 8.723 -4.192 -3.870 711 HD3 PRO 87 3HD PRO 87 10.252 -3.375 -3.481 712 H ASP 88 H ASP 88 11.438 -4.857 -8.680 713 HA ASP 88 HA ASP 88 9.236 -6.631 -9.358 714 HB2 ASP 88 2HB ASP 88 11.405 -5.403 -11.082 715 HB3 ASP 88 3HB ASP 88 10.042 -6.342 -11.688 716 H LYS 89 H LYS 89 9.522 -8.733 -8.871 717 HA LYS 89 HA LYS 89 12.007 -10.056 -9.760 718 HB2 LYS 89 2HB LYS 89 10.487 -10.675 -7.209 719 HB3 LYS 89 3HB LYS 89 11.917 -11.524 -7.791 720 HG2 LYS 89 2HG LYS 89 13.220 -9.440 -7.569 721 HG3 LYS 89 3HG LYS 89 11.787 -8.630 -6.933 722 HD2 LYS 89 2HD LYS 89 13.255 -9.310 -5.115 723 HD3 LYS 89 3HD LYS 89 11.745 -10.219 -5.046 724 HE2 LYS 89 2HE LYS 89 12.830 -12.133 -6.098 725 HE3 LYS 89 3HE LYS 89 14.332 -11.219 -6.248 726 HZ1 LYS 89 3HZ LYS 89 14.454 -11.100 -3.842 727 HZ2 LYS 89 1HZ LYS 89 14.373 -12.709 -4.352 728 HZ3 LYS 89 2HZ LYS 89 13.008 -11.960 -3.694 729 H LEU 90 H LEU 90 11.542 -11.474 -11.325 730 HA LEU 90 HA LEU 90 8.824 -12.458 -11.646 731 HB2 LEU 90 2HB LEU 90 11.277 -12.850 -13.366 732 HB3 LEU 90 3HB LEU 90 9.661 -13.389 -13.782 733 HG LEU 90 HG LEU 90 10.532 -10.510 -13.444 734 HD11 LEU 90 1HD1 LEU 90 9.786 -12.064 -15.925 735 HD12 LEU 90 2HD1 LEU 90 11.409 -11.541 -15.477 736 HD13 LEU 90 3HD1 LEU 90 10.171 -10.344 -15.853 737 HD21 LEU 90 3HD2 LEU 90 8.292 -9.943 -14.277 738 HD22 LEU 90 1HD2 LEU 90 8.215 -10.817 -12.746 739 HD23 LEU 90 2HD2 LEU 90 7.852 -11.652 -14.255 740 H GLU 91 H GLU 91 8.176 -14.266 -10.682 741 HA GLU 91 HA GLU 91 10.029 -16.569 -10.561 742 HB2 GLU 91 2HB GLU 91 8.801 -17.345 -8.572 743 HB3 GLU 91 3HB GLU 91 9.530 -15.769 -8.311 744 HG2 GLU 91 2HG GLU 91 7.379 -14.685 -8.619 745 HG3 GLU 91 3HG GLU 91 6.629 -16.240 -8.983 746 H HIS 92 H HIS 92 8.547 -18.690 -10.215 747 HA HIS 92 HA HIS 92 7.083 -18.970 -12.658 748 HB2 HIS 92 2HB HIS 92 7.512 -20.845 -10.326 749 HB3 HIS 92 3HB HIS 92 6.581 -21.294 -11.751 750 HD1 HIS 92 HD1 HIS 92 10.037 -21.014 -10.491 751 HD2 HIS 92 HD2 HIS 92 8.141 -21.450 -14.163 752 HE1 HIS 92 HE1 HIS 92 11.824 -21.765 -12.087 753 HE2 HIS 92 HE2 HIS 92 10.637 -22.106 -14.281 754 H HIS 93 H HIS 93 4.900 -19.103 -13.039 755 HA HIS 93 HA HIS 93 3.158 -17.920 -11.064 756 HB2 HIS 93 2HB HIS 93 2.579 -18.993 -13.838 757 HB3 HIS 93 3HB HIS 93 1.399 -18.165 -12.826 758 HD1 HIS 93 HD1 HIS 93 4.400 -17.562 -14.960 759 HD2 HIS 93 HD2 HIS 93 1.728 -15.382 -12.642 760 HE1 HIS 93 HE1 HIS 93 4.790 -15.156 -15.570 761 HE2 HIS 93 HE2 HIS 93 3.223 -13.850 -14.096 762 H HIS 94 H HIS 94 2.591 -19.214 -9.382 763 HA HIS 94 HA HIS 94 2.030 -22.002 -9.618 764 HB2 HIS 94 2HB HIS 94 2.732 -20.858 -7.493 765 HB3 HIS 94 3HB HIS 94 1.138 -20.118 -7.414 766 HD1 HIS 94 HD1 HIS 94 2.920 -23.353 -6.908 767 HD2 HIS 94 HD2 HIS 94 -0.939 -21.847 -6.613 768 HE1 HIS 94 HE1 HIS 94 1.608 -25.108 -5.685 769 HE2 HIS 94 HE2 HIS 94 -0.648 -24.071 -5.321 770 H HIS 95 H HIS 95 0.559 -22.123 -11.356 771 HA HIS 95 HA HIS 95 -2.076 -20.879 -11.058 772 HB2 HIS 95 2HB HIS 95 -0.749 -20.827 -13.227 773 HB3 HIS 95 3HB HIS 95 -1.046 -22.555 -13.366 774 HD1 HIS 95 HD1 HIS 95 -2.720 -19.229 -13.647 775 HD2 HIS 95 HD2 HIS 95 -3.651 -23.246 -14.144 776 HE1 HIS 95 HE1 HIS 95 -4.922 -19.261 -14.850 777 HE2 HIS 95 HE2 HIS 95 -5.445 -21.702 -15.196 778 H HIS 96 H HIS 96 -3.344 -22.017 -9.676 779 HA HIS 96 HA HIS 96 -3.034 -24.842 -9.275 780 HB2 HIS 96 2HB HIS 96 -3.625 -23.255 -7.458 781 HB3 HIS 96 3HB HIS 96 -5.187 -22.992 -8.222 782 HD1 HIS 96 HD1 HIS 96 -6.956 -24.883 -7.996 783 HD2 HIS 96 HD2 HIS 96 -3.358 -25.680 -6.070 784 HE1 HIS 96 HE1 HIS 96 -7.409 -26.850 -6.510 785 HE2 HIS 96 HE2 HIS 96 -5.193 -27.395 -5.461 786 H HIS 97 H HIS 97 -3.489 -25.225 -11.671 787 HA HIS 97 HA HIS 97 -6.188 -26.262 -11.934 788 HB2 HIS 97 2HB HIS 97 -5.109 -24.106 -13.752 789 HB3 HIS 97 3HB HIS 97 -6.298 -25.264 -14.331 790 HD1 HIS 97 HD1 HIS 97 -8.701 -24.924 -13.651 791 HD2 HIS 97 HD2 HIS 97 -6.096 -22.309 -11.744 792 HE1 HIS 97 HE1 HIS 97 -10.162 -23.246 -12.485 793 HE2 HIS 97 HE2 HIS 97 -8.571 -21.823 -11.163 Start of MODEL 17 1 H1 MET 1 1H MET 1 1.657 -25.239 -29.378 2 H2 MET 1 2H MET 1 0.907 -26.245 -28.252 3 H3 MET 1 3H MET 1 0.441 -24.623 -28.380 4 HA MET 1 HA MET 1 -0.429 -24.976 -30.575 5 HB2 MET 1 2HB MET 1 0.353 -27.871 -30.147 6 HB3 MET 1 3HB MET 1 -0.500 -27.228 -31.543 7 HG2 MET 1 2HG MET 1 2.336 -26.641 -30.723 8 HG3 MET 1 3HG MET 1 1.798 -27.581 -32.114 9 HE1 MET 1 3HE MET 1 3.367 -24.331 -33.690 10 HE2 MET 1 1HE MET 1 3.412 -26.094 -33.671 11 HE3 MET 1 2HE MET 1 3.908 -25.181 -32.244 12 H ASP 2 H ASP 2 -0.966 -25.693 -27.459 13 HA ASP 2 HA ASP 2 -3.318 -27.357 -27.690 14 HB2 ASP 2 2HB ASP 2 -2.217 -25.848 -25.310 15 HB3 ASP 2 3HB ASP 2 -3.494 -27.060 -25.260 16 H ARG 3 H ARG 3 -5.203 -26.562 -28.392 17 HA ARG 3 HA ARG 3 -5.944 -23.786 -27.704 18 HB2 ARG 3 2HB ARG 3 -6.964 -25.618 -29.888 19 HB3 ARG 3 3HB ARG 3 -7.658 -24.043 -29.525 20 HG2 ARG 3 2HG ARG 3 -5.499 -22.985 -30.043 21 HG3 ARG 3 3HG ARG 3 -4.831 -24.568 -30.441 22 HD2 ARG 3 2HD ARG 3 -6.354 -24.819 -32.278 23 HD3 ARG 3 3HD ARG 3 -7.232 -23.362 -31.815 24 HE ARG 3 HE ARG 3 -4.638 -22.558 -32.243 25 HH11 ARG 3 1HH1 ARG 3 -7.107 -24.077 -34.119 26 HH12 ARG 3 2HH1 ARG 3 -6.547 -23.386 -35.600 27 HH21 ARG 3 1HH2 ARG 3 -3.948 -21.676 -34.165 28 HH22 ARG 3 2HH2 ARG 3 -4.800 -22.044 -35.624 29 H LYS 4 H LYS 4 -7.604 -26.929 -28.170 30 HA LYS 4 HA LYS 4 -9.894 -26.233 -26.671 31 HB2 LYS 4 2HB LYS 4 -8.762 -28.945 -27.399 32 HB3 LYS 4 3HB LYS 4 -10.336 -28.710 -26.649 33 HG2 LYS 4 2HG LYS 4 -9.487 -27.631 -29.338 34 HG3 LYS 4 3HG LYS 4 -10.519 -29.036 -29.064 35 HD2 LYS 4 2HD LYS 4 -11.141 -26.186 -28.266 36 HD3 LYS 4 3HD LYS 4 -11.850 -27.056 -29.625 37 HE2 LYS 4 2HE LYS 4 -12.126 -27.827 -26.713 38 HE3 LYS 4 3HE LYS 4 -13.345 -26.982 -27.667 39 HZ1 LYS 4 3HZ LYS 4 -13.748 -29.385 -27.476 40 HZ2 LYS 4 1HZ LYS 4 -12.302 -29.693 -28.298 41 HZ3 LYS 4 2HZ LYS 4 -13.566 -28.890 -29.082 42 H LEU 5 H LEU 5 -6.776 -27.399 -25.690 43 HA LEU 5 HA LEU 5 -7.540 -28.359 -23.109 44 HB2 LEU 5 2HB LEU 5 -4.852 -27.491 -24.175 45 HB3 LEU 5 3HB LEU 5 -5.091 -28.208 -22.596 46 HG LEU 5 HG LEU 5 -4.258 -29.901 -24.077 47 HD11 LEU 5 1HD1 LEU 5 -5.918 -30.636 -22.466 48 HD12 LEU 5 2HD1 LEU 5 -6.029 -31.579 -23.951 49 HD13 LEU 5 3HD1 LEU 5 -7.211 -30.312 -23.622 50 HD21 LEU 5 3HD2 LEU 5 -4.881 -28.886 -26.213 51 HD22 LEU 5 1HD2 LEU 5 -6.575 -29.282 -25.913 52 HD23 LEU 5 2HD2 LEU 5 -5.390 -30.571 -26.128 53 H LEU 6 H LEU 6 -7.080 -25.217 -24.402 54 HA LEU 6 HA LEU 6 -6.582 -23.939 -21.843 55 HB2 LEU 6 2HB LEU 6 -7.279 -22.727 -24.527 56 HB3 LEU 6 3HB LEU 6 -6.755 -21.838 -23.108 57 HG LEU 6 HG LEU 6 -5.077 -23.843 -24.635 58 HD11 LEU 6 1HD1 LEU 6 -4.901 -20.828 -24.520 59 HD12 LEU 6 2HD1 LEU 6 -5.455 -21.782 -25.895 60 HD13 LEU 6 3HD1 LEU 6 -3.782 -21.906 -25.357 61 HD21 LEU 6 3HD2 LEU 6 -4.506 -23.807 -22.266 62 HD22 LEU 6 1HD2 LEU 6 -4.366 -22.048 -22.307 63 HD23 LEU 6 2HD2 LEU 6 -3.235 -23.048 -23.220 64 H HIS 7 H HIS 7 -8.072 -22.954 -20.554 65 HA HIS 7 HA HIS 7 -10.899 -23.422 -21.212 66 HB2 HIS 7 2HB HIS 7 -9.535 -22.764 -18.591 67 HB3 HIS 7 3HB HIS 7 -11.275 -22.946 -18.777 68 HD1 HIS 7 HD1 HIS 7 -11.717 -25.066 -17.527 69 HD2 HIS 7 HD2 HIS 7 -8.537 -25.452 -20.180 70 HE1 HIS 7 HE1 HIS 7 -11.114 -27.501 -17.507 71 HE2 HIS 7 HE2 HIS 7 -9.264 -27.733 -19.197 72 H LEU 8 H LEU 8 -8.637 -20.864 -21.053 73 HA LEU 8 HA LEU 8 -8.765 -18.607 -21.274 74 HB2 LEU 8 2HB LEU 8 -11.474 -19.345 -22.387 75 HB3 LEU 8 3HB LEU 8 -10.890 -17.693 -22.362 76 HG LEU 8 HG LEU 8 -10.533 -18.596 -24.558 77 HD11 LEU 8 1HD1 LEU 8 -8.115 -18.332 -24.815 78 HD12 LEU 8 2HD1 LEU 8 -7.914 -18.471 -23.069 79 HD13 LEU 8 3HD1 LEU 8 -8.797 -17.105 -23.749 80 HD21 LEU 8 3HD2 LEU 8 -10.560 -20.977 -24.009 81 HD22 LEU 8 1HD2 LEU 8 -8.975 -20.830 -23.252 82 HD23 LEU 8 2HD2 LEU 8 -9.152 -20.566 -24.987 83 H LEU 9 H LEU 9 -9.922 -20.034 -18.826 84 HA LEU 9 HA LEU 9 -11.672 -17.918 -17.776 85 HB2 LEU 9 2HB LEU 9 -12.333 -20.372 -17.699 86 HB3 LEU 9 3HB LEU 9 -11.053 -20.606 -16.527 87 HG LEU 9 HG LEU 9 -13.331 -18.663 -16.080 88 HD11 LEU 9 1HD1 LEU 9 -14.259 -20.900 -16.418 89 HD12 LEU 9 2HD1 LEU 9 -14.414 -20.384 -14.739 90 HD13 LEU 9 3HD1 LEU 9 -13.164 -21.545 -15.191 91 HD21 LEU 9 3HD2 LEU 9 -11.403 -18.273 -14.648 92 HD22 LEU 9 1HD2 LEU 9 -11.371 -19.975 -14.180 93 HD23 LEU 9 2HD2 LEU 9 -12.725 -18.952 -13.698 94 H CYS 10 H CYS 10 -10.730 -16.376 -16.613 95 HA CYS 10 HA CYS 10 -8.291 -16.990 -15.058 96 HB2 CYS 10 2HB CYS 10 -9.261 -14.329 -16.152 97 HB3 CYS 10 3HB CYS 10 -7.822 -14.545 -15.157 98 HG CYS 10 HG CYS 10 -8.131 -14.777 -18.404 99 H SER 11 H SER 11 -8.246 -16.560 -12.884 100 HA SER 11 HA SER 11 -10.756 -16.219 -11.535 101 HB2 SER 11 2HB SER 11 -7.949 -16.264 -10.386 102 HB3 SER 11 3HB SER 11 -9.443 -16.428 -9.465 103 HG SER 11 HG SER 11 -9.839 -18.381 -10.495 104 HA PRO 12 HA PRO 12 -11.266 -11.833 -11.243 105 HB2 PRO 12 2HB PRO 12 -11.641 -12.464 -8.326 106 HB3 PRO 12 3HB PRO 12 -12.604 -11.417 -9.380 107 HG2 PRO 12 2HG PRO 12 -13.449 -13.867 -8.806 108 HG3 PRO 12 3HG PRO 12 -13.629 -13.220 -10.447 109 HD2 PRO 12 2HD PRO 12 -11.728 -15.267 -9.416 110 HD3 PRO 12 3HD PRO 12 -12.442 -15.098 -11.033 111 H ASP 13 H ASP 13 -9.967 -10.112 -10.972 112 HA ASP 13 HA ASP 13 -7.345 -10.525 -9.840 113 HB2 ASP 13 2HB ASP 13 -6.814 -8.360 -10.839 114 HB3 ASP 13 3HB ASP 13 -7.656 -9.382 -11.999 115 H THR 14 H THR 14 -10.069 -8.321 -9.176 116 HA THR 14 HA THR 14 -8.724 -7.158 -6.873 117 HB THR 14 HB THR 14 -10.797 -5.834 -6.585 118 HG1 THR 14 HG1 THR 14 -12.545 -6.161 -7.878 119 HG21 THR 14 3HG2 THR 14 -9.069 -4.976 -8.079 120 HG22 THR 14 1HG2 THR 14 -10.671 -4.563 -8.686 121 HG23 THR 14 2HG2 THR 14 -9.764 -5.883 -9.424 122 H ARG 15 H ARG 15 -11.215 -9.549 -7.493 123 HA ARG 15 HA ARG 15 -11.755 -9.775 -4.604 124 HB2 ARG 15 2HB ARG 15 -13.329 -10.973 -6.896 125 HB3 ARG 15 3HB ARG 15 -13.802 -10.921 -5.201 126 HG2 ARG 15 2HG ARG 15 -13.914 -8.470 -5.310 127 HG3 ARG 15 3HG ARG 15 -13.452 -8.532 -7.011 128 HD2 ARG 15 2HD ARG 15 -15.500 -10.011 -7.351 129 HD3 ARG 15 3HD ARG 15 -15.990 -9.522 -5.729 130 HE ARG 15 HE ARG 15 -15.417 -7.216 -7.198 131 HH11 ARG 15 1HH1 ARG 15 -17.753 -9.750 -7.120 132 HH12 ARG 15 2HH1 ARG 15 -18.974 -8.786 -7.876 133 HH21 ARG 15 1HH2 ARG 15 -16.994 -6.007 -8.197 134 HH22 ARG 15 2HH2 ARG 15 -18.553 -6.707 -8.473 135 H GLN 16 H GLN 16 -9.819 -10.899 -4.156 136 HA GLN 16 HA GLN 16 -10.009 -13.783 -4.578 137 HB2 GLN 16 2HB GLN 16 -7.320 -13.547 -4.849 138 HB3 GLN 16 3HB GLN 16 -8.427 -13.645 -6.207 139 HG2 GLN 16 2HG GLN 16 -6.800 -11.892 -6.554 140 HG3 GLN 16 3HG GLN 16 -8.418 -11.212 -6.405 141 HE21 GLN 16 1HE2 GLN 16 -7.720 -9.198 -5.802 142 HE22 GLN 16 2HE2 GLN 16 -7.020 -8.878 -4.259 143 HA PRO 17 HA PRO 17 -8.844 -14.392 -0.355 144 HB2 PRO 17 2HB PRO 17 -6.296 -15.690 -1.252 145 HB3 PRO 17 3HB PRO 17 -7.496 -16.254 -0.080 146 HG2 PRO 17 2HG PRO 17 -7.431 -17.293 -2.523 147 HG3 PRO 17 3HG PRO 17 -8.982 -16.940 -1.740 148 HD2 PRO 17 2HD PRO 17 -7.576 -15.452 -3.917 149 HD3 PRO 17 3HD PRO 17 -9.315 -15.710 -3.669 150 H LEU 18 H LEU 18 -8.459 -12.287 0.318 151 HA LEU 18 HA LEU 18 -5.981 -10.915 -0.048 152 HB2 LEU 18 2HB LEU 18 -8.233 -10.476 1.923 153 HB3 LEU 18 3HB LEU 18 -6.869 -9.391 1.737 154 HG LEU 18 HG LEU 18 -8.854 -10.039 -0.454 155 HD11 LEU 18 1HD1 LEU 18 -9.943 -8.804 1.335 156 HD12 LEU 18 2HD1 LEU 18 -9.724 -7.776 -0.082 157 HD13 LEU 18 3HD1 LEU 18 -8.655 -7.598 1.312 158 HD21 LEU 18 3HD2 LEU 18 -6.675 -7.947 -0.308 159 HD22 LEU 18 1HD2 LEU 18 -7.829 -8.157 -1.626 160 HD23 LEU 18 2HD2 LEU 18 -6.638 -9.413 -1.292 161 H SER 19 H SER 19 -4.324 -10.517 1.464 162 HA SER 19 HA SER 19 -4.287 -12.101 3.926 163 HB2 SER 19 2HB SER 19 -2.235 -12.418 1.718 164 HB3 SER 19 3HB SER 19 -2.028 -13.040 3.355 165 HG SER 19 HG SER 19 -4.417 -13.742 2.179 166 H LEU 20 H LEU 20 -2.041 -11.708 5.068 167 HA LEU 20 HA LEU 20 -1.831 -8.864 5.449 168 HB2 LEU 20 2HB LEU 20 -1.583 -10.851 7.160 169 HB3 LEU 20 3HB LEU 20 0.091 -10.843 6.647 170 HG LEU 20 HG LEU 20 -0.268 -9.586 8.739 171 HD11 LEU 20 1HD1 LEU 20 0.932 -7.548 8.140 172 HD12 LEU 20 2HD1 LEU 20 0.562 -7.824 6.437 173 HD13 LEU 20 3HD1 LEU 20 1.599 -8.954 7.310 174 HD21 LEU 20 3HD2 LEU 20 -2.546 -8.810 8.303 175 HD22 LEU 20 1HD2 LEU 20 -1.943 -7.725 7.051 176 HD23 LEU 20 2HD2 LEU 20 -1.482 -7.473 8.735 177 H LEU 21 H LEU 21 -0.323 -7.480 4.649 178 HA LEU 21 HA LEU 21 1.188 -8.182 2.385 179 HB2 LEU 21 2HB LEU 21 0.391 -5.917 2.766 180 HB3 LEU 21 3HB LEU 21 1.411 -5.764 4.184 181 HG LEU 21 HG LEU 21 3.424 -5.901 2.755 182 HD11 LEU 21 1HD1 LEU 21 1.456 -5.956 0.461 183 HD12 LEU 21 2HD1 LEU 21 2.541 -7.260 0.942 184 HD13 LEU 21 3HD1 LEU 21 3.203 -5.752 0.313 185 HD21 LEU 21 3HD2 LEU 21 1.432 -3.786 1.915 186 HD22 LEU 21 1HD2 LEU 21 3.176 -3.708 1.663 187 HD23 LEU 21 2HD2 LEU 21 2.524 -3.712 3.299 188 H GLU 22 H GLU 22 3.080 -9.173 2.191 189 HA GLU 22 HA GLU 22 4.742 -10.013 4.264 190 HB2 GLU 22 2HB GLU 22 4.811 -11.079 2.097 191 HB3 GLU 22 3HB GLU 22 5.316 -9.585 1.323 192 HG2 GLU 22 2HG GLU 22 7.162 -11.158 1.527 193 HG3 GLU 22 3HG GLU 22 7.463 -9.691 2.456 194 H SER 23 H SER 23 6.564 -9.204 5.226 195 HA SER 23 HA SER 23 6.861 -6.474 5.620 196 HB2 SER 23 2HB SER 23 7.796 -8.093 7.179 197 HB3 SER 23 3HB SER 23 8.936 -8.659 5.963 198 HG SER 23 HG SER 23 9.545 -6.962 7.673 199 H LYS 24 H LYS 24 8.562 -8.550 3.315 200 HA LYS 24 HA LYS 24 10.429 -6.668 2.385 201 HB2 LYS 24 2HB LYS 24 9.167 -8.946 0.843 202 HB3 LYS 24 3HB LYS 24 10.653 -8.109 0.414 203 HG2 LYS 24 2HG LYS 24 10.187 -9.841 2.839 204 HG3 LYS 24 3HG LYS 24 11.195 -10.212 1.439 205 HD2 LYS 24 2HD LYS 24 12.660 -8.314 2.010 206 HD3 LYS 24 3HD LYS 24 11.658 -7.977 3.424 207 HE2 LYS 24 2HE LYS 24 13.591 -9.207 4.139 208 HE3 LYS 24 3HE LYS 24 12.185 -10.263 4.267 209 HZ1 LYS 24 3HZ LYS 24 14.003 -11.466 3.306 210 HZ2 LYS 24 1HZ LYS 24 14.233 -10.285 2.114 211 HZ3 LYS 24 2HZ LYS 24 12.831 -11.232 2.108 212 H GLY 25 H GLY 25 7.071 -7.217 1.473 213 HA2 GLY 25 2HA GLY 25 7.044 -5.203 -0.590 214 HA3 GLY 25 3HA GLY 25 5.641 -5.943 0.171 215 H LEU 26 H LEU 26 6.091 -5.340 2.816 216 HA LEU 26 HA LEU 26 4.811 -2.909 3.094 217 HB2 LEU 26 2HB LEU 26 4.850 -4.666 4.805 218 HB3 LEU 26 3HB LEU 26 6.544 -4.341 5.114 219 HG LEU 26 HG LEU 26 5.891 -2.030 5.875 220 HD11 LEU 26 1HD1 LEU 26 3.765 -1.849 4.696 221 HD12 LEU 26 2HD1 LEU 26 3.541 -1.620 6.430 222 HD13 LEU 26 3HD1 LEU 26 3.094 -3.152 5.679 223 HD21 LEU 26 3HD2 LEU 26 6.322 -3.843 7.468 224 HD22 LEU 26 1HD2 LEU 26 4.632 -4.335 7.371 225 HD23 LEU 26 2HD2 LEU 26 5.055 -2.764 8.053 226 H GLU 27 H GLU 27 8.292 -3.583 3.502 227 HA GLU 27 HA GLU 27 9.140 -1.014 4.169 228 HB2 GLU 27 2HB GLU 27 11.345 -1.656 3.230 229 HB3 GLU 27 3HB GLU 27 10.671 -2.898 4.276 230 HG2 GLU 27 2HG GLU 27 9.976 -4.185 2.334 231 HG3 GLU 27 3HG GLU 27 10.584 -2.929 1.262 232 H ALA 28 H ALA 28 8.627 -2.428 0.921 233 HA ALA 28 HA ALA 28 9.667 -0.248 -0.543 234 HB1 ALA 28 3HB ALA 28 7.599 -2.290 -1.384 235 HB2 ALA 28 1HB ALA 28 9.347 -2.449 -1.549 236 HB3 ALA 28 2HB ALA 28 8.485 -1.218 -2.473 237 H LEU 29 H LEU 29 6.348 -1.022 0.471 238 HA LEU 29 HA LEU 29 5.006 1.145 -0.672 239 HB2 LEU 29 2HB LEU 29 4.501 -0.533 1.767 240 HB3 LEU 29 3HB LEU 29 3.489 0.863 1.462 241 HG LEU 29 HG LEU 29 2.451 -1.214 0.669 242 HD11 LEU 29 1HD1 LEU 29 1.895 0.875 -0.451 243 HD12 LEU 29 2HD1 LEU 29 1.884 -0.467 -1.594 244 HD13 LEU 29 3HD1 LEU 29 3.243 0.655 -1.567 245 HD21 LEU 29 3HD2 LEU 29 4.797 -1.392 -1.226 246 HD22 LEU 29 1HD2 LEU 29 3.359 -2.411 -1.266 247 HD23 LEU 29 2HD2 LEU 29 4.454 -2.486 0.113 248 H ASN 30 H ASN 30 6.442 0.918 2.608 249 HA ASN 30 HA ASN 30 5.825 3.554 3.374 250 HB2 ASN 30 2HB ASN 30 7.846 1.570 4.380 251 HB3 ASN 30 3HB ASN 30 7.757 3.198 5.053 252 HD21 ASN 30 1HD2 ASN 30 6.193 0.115 4.821 253 HD22 ASN 30 2HD2 ASN 30 4.958 0.435 5.985 254 H LYS 31 H LYS 31 8.752 2.274 1.788 255 HA LYS 31 HA LYS 31 10.239 4.662 1.814 256 HB2 LYS 31 2HB LYS 31 10.267 2.212 0.102 257 HB3 LYS 31 3HB LYS 31 11.143 3.622 -0.472 258 HG2 LYS 31 2HG LYS 31 12.628 2.132 0.712 259 HG3 LYS 31 3HG LYS 31 12.458 3.647 1.599 260 HD2 LYS 31 2HD LYS 31 10.882 2.588 3.134 261 HD3 LYS 31 3HD LYS 31 10.990 1.082 2.220 262 HE2 LYS 31 2HE LYS 31 12.365 0.923 4.187 263 HE3 LYS 31 3HE LYS 31 13.395 0.959 2.761 264 HZ1 LYS 31 3HZ LYS 31 12.825 3.288 4.515 265 HZ2 LYS 31 1HZ LYS 31 13.857 3.280 3.175 266 HZ3 LYS 31 2HZ LYS 31 14.240 2.367 4.545 267 H ALA 32 H ALA 32 7.913 3.447 -0.598 268 HA ALA 32 HA ALA 32 8.094 5.646 -2.364 269 HB1 ALA 32 3HB ALA 32 7.114 3.489 -2.991 270 HB2 ALA 32 1HB ALA 32 6.012 4.825 -3.320 271 HB3 ALA 32 2HB ALA 32 5.752 3.794 -1.911 272 H ILE 33 H ILE 33 6.148 5.096 0.522 273 HA ILE 33 HA ILE 33 4.448 7.347 0.341 274 HB ILE 33 HB ILE 33 5.477 5.853 2.760 275 HG12 ILE 33 2HG1 ILE 33 2.771 5.769 1.399 276 HG13 ILE 33 3HG1 ILE 33 4.053 4.592 1.135 277 HG21 ILE 33 1HG2 ILE 33 3.266 7.909 2.642 278 HG22 ILE 33 2HG2 ILE 33 4.826 8.105 3.440 279 HG23 ILE 33 3HG2 ILE 33 3.672 6.915 4.041 280 HD11 ILE 33 3HD1 ILE 33 2.632 5.124 3.737 281 HD12 ILE 33 1HD1 ILE 33 3.941 3.962 3.500 282 HD13 ILE 33 2HD1 ILE 33 2.398 3.737 2.674 283 H VAL 34 H VAL 34 7.518 6.941 2.151 284 HA VAL 34 HA VAL 34 7.733 9.630 2.988 285 HB VAL 34 HB VAL 34 9.979 7.647 2.518 286 HG11 VAL 34 1HG1 VAL 34 11.238 8.998 4.143 287 HG12 VAL 34 2HG1 VAL 34 9.907 10.154 4.213 288 HG13 VAL 34 3HG1 VAL 34 10.810 9.935 2.712 289 HG21 VAL 34 3HG2 VAL 34 9.773 7.146 4.918 290 HG22 VAL 34 1HG2 VAL 34 8.292 6.758 4.043 291 HG23 VAL 34 2HG2 VAL 34 8.379 8.221 5.021 292 H SER 35 H SER 35 8.725 8.000 0.038 293 HA SER 35 HA SER 35 10.199 10.138 -1.113 294 HB2 SER 35 2HB SER 35 10.382 7.844 -1.964 295 HB3 SER 35 3HB SER 35 8.690 7.875 -2.456 296 HG SER 35 HG SER 35 10.179 9.954 -3.471 297 H GLY 36 H GLY 36 6.807 9.607 -0.698 298 HA2 GLY 36 2HA GLY 36 5.035 11.038 -1.088 299 HA3 GLY 36 3HA GLY 36 6.173 12.201 -1.747 300 H THR 37 H THR 37 5.375 8.881 -2.803 301 HA THR 37 HA THR 37 4.313 10.016 -5.317 302 HB THR 37 HB THR 37 6.620 9.279 -5.738 303 HG1 THR 37 HG1 THR 37 4.617 7.625 -6.941 304 HG21 THR 37 3HG2 THR 37 5.647 6.521 -4.962 305 HG22 THR 37 1HG2 THR 37 6.766 7.515 -4.028 306 HG23 THR 37 2HG2 THR 37 7.235 6.919 -5.621 307 H VAL 38 H VAL 38 3.381 8.372 -2.737 308 HA VAL 38 HA VAL 38 1.920 6.230 -4.105 309 HB VAL 38 HB VAL 38 2.069 6.935 -1.161 310 HG11 VAL 38 1HG1 VAL 38 0.687 4.601 -2.501 311 HG12 VAL 38 2HG1 VAL 38 -0.101 5.946 -1.674 312 HG13 VAL 38 3HG1 VAL 38 0.893 4.812 -0.759 313 HG21 VAL 38 3HG2 VAL 38 3.356 4.859 -0.965 314 HG22 VAL 38 1HG2 VAL 38 4.146 6.006 -2.049 315 HG23 VAL 38 2HG2 VAL 38 3.259 4.630 -2.712 316 H GLN 39 H GLN 39 -0.178 6.337 -4.623 317 HA GLN 39 HA GLN 39 -1.880 8.454 -3.468 318 HB2 GLN 39 2HB GLN 39 -1.960 7.546 -6.360 319 HB3 GLN 39 3HB GLN 39 -2.928 8.820 -5.631 320 HG2 GLN 39 2HG GLN 39 -0.926 10.160 -5.280 321 HG3 GLN 39 3HG GLN 39 0.069 8.879 -5.971 322 HE21 GLN 39 1HE2 GLN 39 -0.221 11.626 -6.850 323 HE22 GLN 39 2HE2 GLN 39 -0.788 11.553 -8.479 324 H ARG 40 H ARG 40 -3.637 7.561 -2.465 325 HA ARG 40 HA ARG 40 -4.303 4.787 -3.050 326 HB2 ARG 40 2HB ARG 40 -5.703 4.806 -1.126 327 HB3 ARG 40 3HB ARG 40 -4.205 5.617 -0.704 328 HG2 ARG 40 2HG ARG 40 -5.342 7.790 -0.904 329 HG3 ARG 40 3HG ARG 40 -6.848 6.952 -1.302 330 HD2 ARG 40 2HD ARG 40 -6.608 5.716 0.891 331 HD3 ARG 40 3HD ARG 40 -5.289 6.817 1.283 332 HE ARG 40 HE ARG 40 -7.739 8.140 0.577 333 HH11 ARG 40 1HH1 ARG 40 -5.938 6.723 3.161 334 HH12 ARG 40 2HH1 ARG 40 -6.809 7.581 4.380 335 HH21 ARG 40 1HH2 ARG 40 -8.841 9.234 2.168 336 HH22 ARG 40 2HH2 ARG 40 -8.415 8.993 3.822 337 H ALA 41 H ALA 41 -6.998 4.535 -2.778 338 HA ALA 41 HA ALA 41 -7.707 4.868 -5.456 339 HB1 ALA 41 3HB ALA 41 -9.572 4.303 -3.166 340 HB2 ALA 41 1HB ALA 41 -8.589 3.105 -4.008 341 HB3 ALA 41 2HB ALA 41 -9.866 3.963 -4.870 342 H ASP 42 H ASP 42 -8.082 7.215 -2.944 343 HA ASP 42 HA ASP 42 -10.241 8.667 -4.169 344 HB2 ASP 42 2HB ASP 42 -8.157 9.602 -2.178 345 HB3 ASP 42 3HB ASP 42 -9.611 10.491 -2.619 346 H GLY 43 H GLY 43 -6.960 8.320 -4.938 347 HA2 GLY 43 2HA GLY 43 -5.725 9.325 -6.641 348 HA3 GLY 43 3HA GLY 43 -6.981 10.545 -6.805 349 H SER 44 H SER 44 -5.773 9.881 -3.636 350 HA SER 44 HA SER 44 -4.425 12.515 -3.628 351 HB2 SER 44 2HB SER 44 -5.680 11.037 -1.292 352 HB3 SER 44 3HB SER 44 -4.964 12.648 -1.238 353 HG SER 44 HG SER 44 -6.767 13.429 -1.949 354 H ILE 45 H ILE 45 -2.397 12.744 -2.718 355 HA ILE 45 HA ILE 45 -0.683 10.493 -2.595 356 HB ILE 45 HB ILE 45 -0.262 13.300 -1.541 357 HG12 ILE 45 2HG1 ILE 45 -0.592 13.037 -4.024 358 HG13 ILE 45 3HG1 ILE 45 0.966 13.714 -3.568 359 HG21 ILE 45 1HG2 ILE 45 2.143 12.750 -1.492 360 HG22 ILE 45 2HG2 ILE 45 1.757 11.074 -1.891 361 HG23 ILE 45 3HG2 ILE 45 1.213 11.766 -0.362 362 HD11 ILE 45 3HD1 ILE 45 1.126 12.081 -5.387 363 HD12 ILE 45 1HD1 ILE 45 0.490 10.837 -4.313 364 HD13 ILE 45 2HD1 ILE 45 2.043 11.595 -3.964 365 H GLN 46 H GLN 46 -0.169 9.157 -0.976 366 HA GLN 46 HA GLN 46 -1.366 9.548 1.655 367 HB2 GLN 46 2HB GLN 46 -1.609 7.360 0.616 368 HB3 GLN 46 3HB GLN 46 0.135 7.211 0.447 369 HG2 GLN 46 2HG GLN 46 0.430 6.986 2.797 370 HG3 GLN 46 3HG GLN 46 -1.244 7.441 3.114 371 HE21 GLN 46 1HE2 GLN 46 0.862 4.911 1.978 372 HE22 GLN 46 2HE2 GLN 46 -0.301 3.640 2.073 373 H ASN 47 H ASN 47 -0.214 10.973 2.836 374 HA ASN 47 HA ASN 47 2.703 10.974 2.766 375 HB2 ASN 47 2HB ASN 47 0.775 12.783 4.251 376 HB3 ASN 47 3HB ASN 47 2.517 13.017 4.131 377 HD21 ASN 47 1HD2 ASN 47 -0.511 13.186 2.432 378 HD22 ASN 47 2HD2 ASN 47 0.086 14.048 1.061 379 H GLN 48 H GLN 48 0.392 9.342 4.482 380 HA GLN 48 HA GLN 48 1.922 9.234 6.987 381 HB2 GLN 48 2HB GLN 48 -0.806 8.130 6.275 382 HB3 GLN 48 3HB GLN 48 -0.041 7.957 7.847 383 HG2 GLN 48 2HG GLN 48 -0.619 10.635 6.601 384 HG3 GLN 48 3HG GLN 48 -1.770 9.782 7.625 385 HE21 GLN 48 1HE2 GLN 48 -1.714 11.460 9.133 386 HE22 GLN 48 2HE2 GLN 48 -0.375 11.697 10.195 387 H SER 49 H SER 49 3.310 7.625 7.358 388 HA SER 49 HA SER 49 3.623 5.430 5.544 389 HB2 SER 49 2HB SER 49 4.944 5.960 8.221 390 HB3 SER 49 3HB SER 49 5.440 4.714 7.078 391 HG SER 49 HG SER 49 6.193 6.225 5.722 392 H LEU 50 H LEU 50 2.334 3.681 5.543 393 HA LEU 50 HA LEU 50 0.836 2.916 7.874 394 HB2 LEU 50 2HB LEU 50 0.123 0.955 6.368 395 HB3 LEU 50 3HB LEU 50 -0.393 2.575 5.955 396 HG LEU 50 HG LEU 50 1.540 2.627 4.285 397 HD11 LEU 50 1HD1 LEU 50 2.854 0.768 5.114 398 HD12 LEU 50 2HD1 LEU 50 2.331 0.457 3.459 399 HD13 LEU 50 3HD1 LEU 50 1.517 -0.344 4.803 400 HD21 LEU 50 3HD2 LEU 50 0.267 1.404 2.588 401 HD22 LEU 50 1HD2 LEU 50 -0.784 2.389 3.605 402 HD23 LEU 50 2HD2 LEU 50 -0.696 0.647 3.856 403 H HIS 51 H HIS 51 1.244 1.398 9.344 404 HA HIS 51 HA HIS 51 3.838 0.077 9.274 405 HB2 HIS 51 2HB HIS 51 1.778 -0.012 11.486 406 HB3 HIS 51 3HB HIS 51 3.494 -0.386 11.605 407 HD1 HIS 51 HD1 HIS 51 5.145 1.734 11.315 408 HD2 HIS 51 HD2 HIS 51 1.133 2.593 11.986 409 HE1 HIS 51 HE1 HIS 51 5.082 4.132 12.034 410 HE2 HIS 51 HE2 HIS 51 2.668 4.585 12.571 411 H GLU 52 H GLU 52 0.438 -0.747 9.085 412 HA GLU 52 HA GLU 52 1.203 -3.502 8.356 413 HB2 GLU 52 2HB GLU 52 -1.203 -2.676 10.007 414 HB3 GLU 52 3HB GLU 52 -0.972 -4.282 9.337 415 HG2 GLU 52 2HG GLU 52 0.117 -4.860 11.179 416 HG3 GLU 52 3HG GLU 52 1.385 -3.717 10.754 417 H ALA 53 H ALA 53 -0.118 -4.501 6.744 418 HA ALA 53 HA ALA 53 -2.195 -2.975 5.433 419 HB1 ALA 53 3HB ALA 53 -0.156 -1.934 4.527 420 HB2 ALA 53 1HB ALA 53 -1.095 -2.761 3.282 421 HB3 ALA 53 2HB ALA 53 0.367 -3.508 3.927 422 H LEU 54 H LEU 54 -2.940 -4.115 3.381 423 HA LEU 54 HA LEU 54 -2.855 -7.047 3.762 424 HB2 LEU 54 2HB LEU 54 -5.083 -5.305 2.682 425 HB3 LEU 54 3HB LEU 54 -5.129 -7.056 2.762 426 HG LEU 54 HG LEU 54 -4.861 -5.298 5.204 427 HD11 LEU 54 1HD1 LEU 54 -6.976 -4.805 4.093 428 HD12 LEU 54 2HD1 LEU 54 -7.240 -5.692 5.593 429 HD13 LEU 54 3HD1 LEU 54 -7.362 -6.528 4.044 430 HD21 LEU 54 3HD2 LEU 54 -4.067 -7.594 5.482 431 HD22 LEU 54 1HD2 LEU 54 -5.610 -8.208 4.886 432 HD23 LEU 54 2HD2 LEU 54 -5.542 -7.312 6.406 433 H ILE 55 H ILE 55 -2.105 -8.223 2.083 434 HA ILE 55 HA ILE 55 -1.669 -6.876 -0.496 435 HB ILE 55 HB ILE 55 0.338 -7.827 0.528 436 HG12 ILE 55 2HG1 ILE 55 1.096 -9.245 -1.381 437 HG13 ILE 55 3HG1 ILE 55 -0.570 -9.346 -1.941 438 HG21 ILE 55 1HG2 ILE 55 0.610 -10.243 0.815 439 HG22 ILE 55 2HG2 ILE 55 -1.073 -10.490 0.345 440 HG23 ILE 55 3HG2 ILE 55 -0.689 -9.612 1.826 441 HD11 ILE 55 3HD1 ILE 55 1.060 -6.825 -1.713 442 HD12 ILE 55 1HD1 ILE 55 -0.599 -6.937 -2.303 443 HD13 ILE 55 2HD1 ILE 55 0.709 -7.709 -3.198 444 H THR 56 H THR 56 -2.704 -7.485 -2.295 445 HA THR 56 HA THR 56 -4.743 -9.491 -2.297 446 HB THR 56 HB THR 56 -4.914 -9.036 -4.733 447 HG1 THR 56 HG1 THR 56 -2.722 -7.259 -4.254 448 HG21 THR 56 3HG2 THR 56 -5.570 -6.670 -4.553 449 HG22 THR 56 1HG2 THR 56 -4.731 -6.560 -3.007 450 HG23 THR 56 2HG2 THR 56 -6.135 -7.615 -3.173 451 H ARG 57 H ARG 57 -4.768 -11.513 -3.344 452 HA ARG 57 HA ARG 57 -2.431 -13.031 -3.128 453 HB2 ARG 57 2HB ARG 57 -4.721 -13.974 -3.028 454 HB3 ARG 57 3HB ARG 57 -4.894 -13.710 -4.758 455 HG2 ARG 57 2HG ARG 57 -4.366 -16.033 -4.310 456 HG3 ARG 57 3HG ARG 57 -3.036 -15.266 -5.177 457 HD2 ARG 57 2HD ARG 57 -1.898 -14.934 -2.962 458 HD3 ARG 57 3HD ARG 57 -3.171 -15.907 -2.225 459 HE ARG 57 HE ARG 57 -1.886 -17.244 -4.407 460 HH11 ARG 57 1HH1 ARG 57 -1.670 -16.548 -1.040 461 HH12 ARG 57 2HH1 ARG 57 -0.603 -17.873 -0.732 462 HH21 ARG 57 1HH2 ARG 57 -0.530 -18.944 -3.984 463 HH22 ARG 57 2HH2 ARG 57 0.033 -19.206 -2.367 464 H ASP 58 H ASP 58 -3.739 -11.358 -5.949 465 HA ASP 58 HA ASP 58 -1.792 -12.566 -7.740 466 HB2 ASP 58 2HB ASP 58 -4.173 -11.936 -8.391 467 HB3 ASP 58 3HB ASP 58 -3.646 -10.258 -8.359 468 H ARG 59 H ARG 59 -1.453 -10.366 -5.411 469 HA ARG 59 HA ARG 59 0.071 -8.789 -4.845 470 HB2 ARG 59 2HB ARG 59 1.459 -9.757 -7.349 471 HB3 ARG 59 3HB ARG 59 2.159 -8.582 -6.253 472 HG2 ARG 59 2HG ARG 59 3.146 -10.613 -5.663 473 HG3 ARG 59 3HG ARG 59 1.905 -10.357 -4.437 474 HD2 ARG 59 2HD ARG 59 0.436 -11.927 -5.513 475 HD3 ARG 59 3HD ARG 59 1.517 -12.062 -6.901 476 HE ARG 59 HE ARG 59 1.952 -13.198 -4.236 477 HH11 ARG 59 1HH1 ARG 59 2.945 -12.844 -7.514 478 HH12 ARG 59 2HH1 ARG 59 4.075 -14.148 -7.429 479 HH21 ARG 59 1HH2 ARG 59 3.415 -14.870 -4.148 480 HH22 ARG 59 2HH2 ARG 59 4.350 -15.265 -5.549 481 H LYS 60 H LYS 60 -2.189 -8.129 -6.752 482 HA LYS 60 HA LYS 60 -1.165 -5.981 -8.392 483 HB2 LYS 60 2HB LYS 60 -3.977 -6.864 -7.742 484 HB3 LYS 60 3HB LYS 60 -3.616 -5.483 -8.768 485 HG2 LYS 60 2HG LYS 60 -2.290 -7.067 -10.228 486 HG3 LYS 60 3HG LYS 60 -2.991 -8.380 -9.277 487 HD2 LYS 60 2HD LYS 60 -4.260 -7.968 -11.350 488 HD3 LYS 60 3HD LYS 60 -5.237 -7.670 -9.909 489 HE2 LYS 60 2HE LYS 60 -4.872 -5.274 -10.129 490 HE3 LYS 60 3HE LYS 60 -3.821 -5.538 -11.518 491 HZ1 LYS 60 3HZ LYS 60 -6.072 -4.869 -12.147 492 HZ2 LYS 60 1HZ LYS 60 -6.697 -6.250 -11.404 493 HZ3 LYS 60 2HZ LYS 60 -5.683 -6.400 -12.749 494 H GLN 61 H GLN 61 -3.491 -6.012 -5.669 495 HA GLN 61 HA GLN 61 -2.843 -3.165 -5.231 496 HB2 GLN 61 2HB GLN 61 -5.414 -4.637 -4.609 497 HB3 GLN 61 3HB GLN 61 -5.119 -2.924 -4.334 498 HG2 GLN 61 2HG GLN 61 -4.919 -2.531 -6.709 499 HG3 GLN 61 3HG GLN 61 -5.057 -4.257 -7.039 500 HE21 GLN 61 1HE2 GLN 61 -6.707 -2.052 -7.981 501 HE22 GLN 61 2HE2 GLN 61 -8.318 -2.413 -7.479 502 H VAL 62 H VAL 62 -2.927 -2.356 -3.077 503 HA VAL 62 HA VAL 62 -2.669 -4.321 -0.898 504 HB VAL 62 HB VAL 62 -0.900 -1.883 -1.284 505 HG11 VAL 62 1HG1 VAL 62 0.269 -2.643 0.736 506 HG12 VAL 62 2HG1 VAL 62 -0.894 -3.955 0.920 507 HG13 VAL 62 3HG1 VAL 62 -1.424 -2.279 1.076 508 HG21 VAL 62 3HG2 VAL 62 -0.248 -3.702 -2.775 509 HG22 VAL 62 1HG2 VAL 62 -0.217 -4.829 -1.417 510 HG23 VAL 62 2HG2 VAL 62 0.946 -3.504 -1.490 511 H PHE 63 H PHE 63 -4.057 -3.884 0.721 512 HA PHE 63 HA PHE 63 -5.332 -1.248 0.836 513 HB2 PHE 63 2HB PHE 63 -6.038 -3.886 2.142 514 HB3 PHE 63 3HB PHE 63 -6.900 -2.384 2.455 515 HD1 PHE 63 HD2 PHE 63 -6.088 -4.883 -0.149 516 HD2 PHE 63 HD1 PHE 63 -8.523 -1.559 0.935 517 HE1 PHE 63 HE2 PHE 63 -7.531 -5.302 -2.103 518 HE2 PHE 63 HE1 PHE 63 -9.971 -1.978 -1.005 519 HZ PHE 63 HZ PHE 63 -9.475 -3.851 -2.531 520 H ARG 64 H ARG 64 -5.393 0.016 2.713 521 HA ARG 64 HA ARG 64 -3.038 -0.274 4.386 522 HB2 ARG 64 2HB ARG 64 -3.596 1.924 3.438 523 HB3 ARG 64 3HB ARG 64 -5.126 1.921 4.307 524 HG2 ARG 64 2HG ARG 64 -3.843 1.844 6.444 525 HG3 ARG 64 3HG ARG 64 -2.357 2.014 5.509 526 HD2 ARG 64 2HD ARG 64 -3.088 4.164 6.417 527 HD3 ARG 64 3HD ARG 64 -3.137 4.172 4.655 528 HE ARG 64 HE ARG 64 -5.600 3.685 4.961 529 HH11 ARG 64 1HH1 ARG 64 -3.798 5.477 7.290 530 HH12 ARG 64 2HH1 ARG 64 -5.185 6.326 7.863 531 HH21 ARG 64 1HH2 ARG 64 -7.339 4.790 5.654 532 HH22 ARG 64 2HH2 ARG 64 -7.185 5.948 6.932 533 H ILE 65 H ILE 65 -2.991 -0.982 6.433 534 HA ILE 65 HA ILE 65 -5.530 -1.312 7.908 535 HB ILE 65 HB ILE 65 -2.813 -2.581 8.348 536 HG12 ILE 65 2HG1 ILE 65 -5.486 -3.779 7.556 537 HG13 ILE 65 3HG1 ILE 65 -4.097 -3.555 6.495 538 HG21 ILE 65 1HG2 ILE 65 -5.329 -2.889 9.988 539 HG22 ILE 65 2HG2 ILE 65 -3.826 -2.127 10.506 540 HG23 ILE 65 3HG2 ILE 65 -3.867 -3.856 10.173 541 HD11 ILE 65 3HD1 ILE 65 -2.812 -5.131 7.843 542 HD12 ILE 65 1HD1 ILE 65 -4.294 -5.858 7.227 543 HD13 ILE 65 2HD1 ILE 65 -4.200 -5.349 8.911 544 H GLU 66 H GLU 66 -5.884 -0.170 9.779 545 HA GLU 66 HA GLU 66 -3.580 1.149 11.050 546 HB2 GLU 66 2HB GLU 66 -4.738 3.215 11.350 547 HB3 GLU 66 3HB GLU 66 -4.835 2.801 9.647 548 HG2 GLU 66 2HG GLU 66 -7.129 2.068 9.917 549 HG3 GLU 66 3HG GLU 66 -7.047 2.374 11.652 550 H ASP 67 H ASP 67 -3.679 1.333 13.289 551 HA ASP 67 HA ASP 67 -4.189 0.686 15.415 552 HB2 ASP 67 2HB ASP 67 -6.269 2.081 14.734 553 HB3 ASP 67 3HB ASP 67 -7.089 0.534 14.580 554 H SER 68 H SER 68 -3.699 -1.336 13.304 555 HA SER 68 HA SER 68 -3.620 -3.588 13.016 556 HB2 SER 68 2HB SER 68 -3.030 -3.712 15.381 557 HB3 SER 68 3HB SER 68 -4.732 -3.674 15.837 558 HG SER 68 HG SER 68 -5.004 -5.701 15.063 559 H ILE 69 H ILE 69 -6.254 -1.949 12.697 560 HA ILE 69 HA ILE 69 -8.174 -4.166 12.543 561 HB ILE 69 HB ILE 69 -8.591 -1.202 12.065 562 HG12 ILE 69 2HG1 ILE 69 -8.073 -1.703 14.420 563 HG13 ILE 69 3HG1 ILE 69 -9.752 -1.208 14.239 564 HG21 ILE 69 1HG2 ILE 69 -10.187 -2.532 10.799 565 HG22 ILE 69 2HG2 ILE 69 -10.995 -1.727 12.142 566 HG23 ILE 69 3HG2 ILE 69 -10.607 -3.444 12.249 567 HD11 ILE 69 3HD1 ILE 69 -9.509 -3.058 15.801 568 HD12 ILE 69 1HD1 ILE 69 -8.781 -4.045 14.533 569 HD13 ILE 69 2HD1 ILE 69 -10.463 -3.530 14.394 570 HA PRO 70 HA PRO 70 -7.022 -4.489 8.192 571 HB2 PRO 70 2HB PRO 70 -8.753 -6.493 7.535 572 HB3 PRO 70 3HB PRO 70 -7.234 -6.770 8.397 573 HG2 PRO 70 2HG PRO 70 -10.017 -6.547 9.491 574 HG3 PRO 70 3HG PRO 70 -8.738 -7.705 9.909 575 HD2 PRO 70 2HD PRO 70 -9.289 -5.539 11.445 576 HD3 PRO 70 3HD PRO 70 -7.648 -6.198 11.287 577 H VAL 71 H VAL 71 -7.750 -2.574 7.297 578 HA VAL 71 HA VAL 71 -10.585 -2.034 7.026 579 HB VAL 71 HB VAL 71 -8.313 -0.423 5.841 580 HG11 VAL 71 1HG1 VAL 71 -9.903 1.434 5.980 581 HG12 VAL 71 2HG1 VAL 71 -11.122 0.351 6.651 582 HG13 VAL 71 3HG1 VAL 71 -10.545 0.115 5.000 583 HG21 VAL 71 3HG2 VAL 71 -8.299 0.929 7.870 584 HG22 VAL 71 1HG2 VAL 71 -7.913 -0.749 8.254 585 HG23 VAL 71 2HG2 VAL 71 -9.522 -0.112 8.599 586 H LEU 72 H LEU 72 -11.687 -3.068 5.467 587 HA LEU 72 HA LEU 72 -10.385 -3.789 2.941 588 HB2 LEU 72 2HB LEU 72 -13.117 -4.501 4.025 589 HB3 LEU 72 3HB LEU 72 -12.409 -5.142 2.554 590 HG LEU 72 HG LEU 72 -11.352 -5.598 5.352 591 HD11 LEU 72 1HD1 LEU 72 -12.810 -7.464 3.481 592 HD12 LEU 72 2HD1 LEU 72 -13.449 -6.773 4.972 593 HD13 LEU 72 3HD1 LEU 72 -12.100 -7.906 5.035 594 HD21 LEU 72 3HD2 LEU 72 -10.443 -6.749 2.711 595 HD22 LEU 72 1HD2 LEU 72 -9.837 -7.211 4.302 596 HD23 LEU 72 2HD2 LEU 72 -9.560 -5.580 3.695 597 H LEU 73 H LEU 73 -11.340 -0.979 3.688 598 HA LEU 73 HA LEU 73 -13.634 -0.484 2.013 599 HB2 LEU 73 2HB LEU 73 -11.784 1.444 3.428 600 HB3 LEU 73 3HB LEU 73 -13.280 1.889 2.627 601 HG LEU 73 HG LEU 73 -13.000 0.150 5.086 602 HD11 LEU 73 1HD1 LEU 73 -14.203 1.935 6.211 603 HD12 LEU 73 2HD1 LEU 73 -14.272 2.861 4.712 604 HD13 LEU 73 3HD1 LEU 73 -12.718 2.550 5.487 605 HD21 LEU 73 3HD2 LEU 73 -15.497 0.913 3.565 606 HD22 LEU 73 1HD2 LEU 73 -15.452 0.083 5.123 607 HD23 LEU 73 2HD2 LEU 73 -14.801 -0.703 3.686 608 HA PRO 74 HA PRO 74 -11.774 0.045 -1.911 609 HB2 PRO 74 2HB PRO 74 -13.225 2.241 -2.837 610 HB3 PRO 74 3HB PRO 74 -13.745 0.556 -2.919 611 HG2 PRO 74 2HG PRO 74 -14.442 2.663 -0.914 612 HG3 PRO 74 3HG PRO 74 -15.477 1.417 -1.639 613 HD2 PRO 74 2HD PRO 74 -14.541 1.146 0.850 614 HD3 PRO 74 3HD PRO 74 -14.653 -0.255 -0.236 615 H GLU 75 H GLU 75 -12.118 3.105 -0.077 616 HA GLU 75 HA GLU 75 -10.360 4.658 -1.610 617 HB2 GLU 75 2HB GLU 75 -10.078 6.038 0.484 618 HB3 GLU 75 3HB GLU 75 -11.730 5.794 -0.056 619 HG2 GLU 75 2HG GLU 75 -10.788 3.811 1.898 620 HG3 GLU 75 3HG GLU 75 -10.845 5.467 2.498 621 H GLU 76 H GLU 76 -9.667 2.199 0.732 622 HA GLU 76 HA GLU 76 -6.983 3.090 1.331 623 HB2 GLU 76 2HB GLU 76 -8.347 0.474 2.001 624 HB3 GLU 76 3HB GLU 76 -6.882 1.108 2.742 625 HG2 GLU 76 2HG GLU 76 -9.529 2.539 2.875 626 HG3 GLU 76 3HG GLU 76 -9.021 1.345 4.065 627 H ALA 77 H ALA 77 -7.965 1.963 -1.477 628 HA ALA 77 HA ALA 77 -6.193 -0.318 -1.811 629 HB1 ALA 77 3HB ALA 77 -7.946 1.070 -3.842 630 HB2 ALA 77 1HB ALA 77 -8.414 -0.312 -2.851 631 HB3 ALA 77 2HB ALA 77 -7.131 -0.479 -4.049 632 H ILE 78 H ILE 78 -4.056 0.179 -1.926 633 HA ILE 78 HA ILE 78 -3.167 2.213 -3.874 634 HB ILE 78 HB ILE 78 -1.597 0.780 -1.707 635 HG12 ILE 78 2HG1 ILE 78 -1.289 3.192 -0.881 636 HG13 ILE 78 3HG1 ILE 78 -2.587 3.630 -1.983 637 HG21 ILE 78 1HG2 ILE 78 0.291 2.232 -2.343 638 HG22 ILE 78 2HG2 ILE 78 -0.649 2.832 -3.711 639 HG23 ILE 78 3HG2 ILE 78 -0.178 1.134 -3.642 640 HD11 ILE 78 3HD1 ILE 78 -3.373 3.343 0.304 641 HD12 ILE 78 1HD1 ILE 78 -2.806 1.674 0.294 642 HD13 ILE 78 2HD1 ILE 78 -4.113 2.168 -0.783 643 H ALA 79 H ALA 79 -2.407 1.555 -5.816 644 HA ALA 79 HA ALA 79 -2.215 -1.270 -6.413 645 HB1 ALA 79 3HB ALA 79 -1.744 1.133 -8.182 646 HB2 ALA 79 1HB ALA 79 -3.262 0.256 -7.997 647 HB3 ALA 79 2HB ALA 79 -1.868 -0.542 -8.725 648 H THR 80 H THR 80 -0.413 -2.483 -6.519 649 HA THR 80 HA THR 80 2.117 -1.583 -5.649 650 HB THR 80 HB THR 80 2.998 -3.767 -6.427 651 HG1 THR 80 HG1 THR 80 0.689 -4.931 -7.146 652 HG21 THR 80 3HG2 THR 80 1.599 -5.197 -5.013 653 HG22 THR 80 1HG2 THR 80 0.328 -3.974 -5.019 654 HG23 THR 80 2HG2 THR 80 1.876 -3.632 -4.245 655 H ILE 81 H ILE 81 0.771 -1.931 -8.879 656 HA ILE 81 HA ILE 81 3.125 -1.717 -10.399 657 HB ILE 81 HB ILE 81 0.940 -2.381 -11.334 658 HG12 ILE 81 2HG1 ILE 81 1.076 -1.103 -13.467 659 HG13 ILE 81 3HG1 ILE 81 2.163 0.043 -12.689 660 HG21 ILE 81 1HG2 ILE 81 0.203 0.532 -11.035 661 HG22 ILE 81 2HG2 ILE 81 -0.491 -0.824 -10.145 662 HG23 ILE 81 3HG2 ILE 81 -0.750 -0.688 -11.885 663 HD11 ILE 81 3HD1 ILE 81 2.712 -2.890 -13.093 664 HD12 ILE 81 1HD1 ILE 81 3.809 -1.714 -12.369 665 HD13 ILE 81 2HD1 ILE 81 3.362 -1.572 -14.069 666 H GLN 82 H GLN 82 1.509 0.607 -8.494 667 HA GLN 82 HA GLN 82 2.533 2.965 -9.809 668 HB2 GLN 82 2HB GLN 82 0.392 3.010 -8.639 669 HB3 GLN 82 3HB GLN 82 1.175 2.544 -7.139 670 HG2 GLN 82 2HG GLN 82 2.447 4.687 -7.215 671 HG3 GLN 82 3HG GLN 82 1.465 5.154 -8.610 672 HE21 GLN 82 1HE2 GLN 82 -0.738 5.562 -8.311 673 HE22 GLN 82 2HE2 GLN 82 -1.413 5.848 -6.747 674 H ILE 83 H ILE 83 3.634 0.769 -7.359 675 HA ILE 83 HA ILE 83 5.355 2.595 -5.969 676 HB ILE 83 HB ILE 83 5.415 -0.434 -5.949 677 HG12 ILE 83 2HG1 ILE 83 3.202 0.367 -5.294 678 HG13 ILE 83 3HG1 ILE 83 4.052 -0.238 -3.878 679 HG21 ILE 83 1HG2 ILE 83 6.517 -0.173 -3.767 680 HG22 ILE 83 2HG2 ILE 83 6.523 1.576 -3.983 681 HG23 ILE 83 3HG2 ILE 83 7.463 0.552 -5.068 682 HD11 ILE 83 3HD1 ILE 83 3.736 2.661 -4.633 683 HD12 ILE 83 1HD1 ILE 83 4.562 2.048 -3.200 684 HD13 ILE 83 2HD1 ILE 83 2.825 1.805 -3.392 685 H ALA 84 H ALA 84 7.024 3.486 -6.995 686 HA ALA 84 HA ALA 84 8.244 2.617 -9.323 687 HB1 ALA 84 3HB ALA 84 9.446 4.400 -7.209 688 HB2 ALA 84 1HB ALA 84 8.348 4.916 -8.490 689 HB3 ALA 84 2HB ALA 84 9.949 4.298 -8.897 690 H ASN 85 H ASN 85 9.270 2.007 -5.994 691 HA ASN 85 HA ASN 85 11.750 0.765 -6.921 692 HB2 ASN 85 2HB ASN 85 12.303 0.674 -4.464 693 HB3 ASN 85 3HB ASN 85 12.039 2.293 -5.106 694 HD21 ASN 85 1HD2 ASN 85 11.543 3.135 -3.095 695 HD22 ASN 85 2HD2 ASN 85 10.057 2.777 -2.291 696 H PHE 86 H PHE 86 8.897 -0.492 -7.014 697 HA PHE 86 HA PHE 86 8.967 -2.730 -5.257 698 HB2 PHE 86 2HB PHE 86 6.991 -1.631 -6.666 699 HB3 PHE 86 3HB PHE 86 7.448 -2.864 -7.835 700 HD1 PHE 86 HD1 PHE 86 6.344 -2.325 -4.351 701 HD2 PHE 86 HD2 PHE 86 6.767 -5.124 -7.532 702 HE1 PHE 86 HE1 PHE 86 5.013 -3.961 -3.084 703 HE2 PHE 86 HE2 PHE 86 5.437 -6.766 -6.269 704 HZ PHE 86 HZ PHE 86 4.554 -6.183 -4.044 705 HA PRO 87 HA PRO 87 12.142 -5.080 -7.340 706 HB2 PRO 87 2HB PRO 87 10.989 -7.390 -5.875 707 HB3 PRO 87 3HB PRO 87 12.630 -6.736 -5.840 708 HG2 PRO 87 2HG PRO 87 10.972 -6.373 -3.779 709 HG3 PRO 87 3HG PRO 87 12.082 -5.088 -4.296 710 HD2 PRO 87 2HD PRO 87 9.140 -5.378 -4.835 711 HD3 PRO 87 3HD PRO 87 10.065 -3.927 -4.383 712 H ASP 88 H ASP 88 12.433 -7.066 -8.638 713 HA ASP 88 HA ASP 88 10.489 -7.283 -10.684 714 HB2 ASP 88 2HB ASP 88 12.906 -9.002 -10.071 715 HB3 ASP 88 3HB ASP 88 11.940 -9.146 -11.538 716 H LYS 89 H LYS 89 9.143 -8.997 -11.288 717 HA LYS 89 HA LYS 89 8.117 -10.573 -9.057 718 HB2 LYS 89 2HB LYS 89 7.050 -10.112 -11.855 719 HB3 LYS 89 3HB LYS 89 6.249 -11.114 -10.654 720 HG2 LYS 89 2HG LYS 89 5.188 -8.981 -10.657 721 HG3 LYS 89 3HG LYS 89 6.114 -9.122 -9.164 722 HD2 LYS 89 2HD LYS 89 7.979 -7.884 -10.434 723 HD3 LYS 89 3HD LYS 89 6.732 -7.483 -11.614 724 HE2 LYS 89 2HE LYS 89 6.612 -6.860 -8.669 725 HE3 LYS 89 3HE LYS 89 7.089 -5.718 -9.923 726 HZ1 LYS 89 3HZ LYS 89 4.904 -5.915 -10.908 727 HZ2 LYS 89 1HZ LYS 89 4.762 -5.460 -9.286 728 HZ3 LYS 89 2HZ LYS 89 4.437 -7.051 -9.749 729 H LEU 90 H LEU 90 10.645 -11.321 -10.122 730 HA LEU 90 HA LEU 90 10.255 -13.653 -11.803 731 HB2 LEU 90 2HB LEU 90 12.754 -12.599 -10.471 732 HB3 LEU 90 3HB LEU 90 12.706 -13.911 -11.635 733 HG LEU 90 HG LEU 90 11.960 -11.029 -12.188 734 HD11 LEU 90 1HD1 LEU 90 13.967 -11.030 -13.605 735 HD12 LEU 90 2HD1 LEU 90 14.357 -12.654 -13.036 736 HD13 LEU 90 3HD1 LEU 90 14.349 -11.301 -11.905 737 HD21 LEU 90 3HD2 LEU 90 12.067 -13.408 -14.048 738 HD22 LEU 90 1HD2 LEU 90 11.799 -11.733 -14.531 739 HD23 LEU 90 2HD2 LEU 90 10.614 -12.558 -13.522 740 H GLU 91 H GLU 91 8.997 -15.055 -10.539 741 HA GLU 91 HA GLU 91 10.130 -16.059 -8.035 742 HB2 GLU 91 2HB GLU 91 7.525 -16.716 -9.432 743 HB3 GLU 91 3HB GLU 91 8.023 -17.354 -7.871 744 HG2 GLU 91 2HG GLU 91 8.015 -15.083 -6.943 745 HG3 GLU 91 3HG GLU 91 7.506 -14.454 -8.511 746 H HIS 92 H HIS 92 11.939 -17.213 -8.779 747 HA HIS 92 HA HIS 92 11.822 -19.116 -10.899 748 HB2 HIS 92 2HB HIS 92 13.880 -17.903 -10.223 749 HB3 HIS 92 3HB HIS 92 13.901 -18.802 -8.712 750 HD1 HIS 92 HD1 HIS 92 15.573 -20.602 -8.783 751 HD2 HIS 92 HD2 HIS 92 13.865 -19.967 -12.515 752 HE1 HIS 92 HE1 HIS 92 16.713 -22.217 -10.327 753 HE2 HIS 92 HE2 HIS 92 15.841 -21.623 -12.614 754 H HIS 93 H HIS 93 10.037 -20.475 -10.308 755 HA HIS 93 HA HIS 93 10.262 -22.130 -7.919 756 HB2 HIS 93 2HB HIS 93 8.167 -21.833 -10.062 757 HB3 HIS 93 3HB HIS 93 8.106 -23.168 -8.919 758 HD1 HIS 93 HD1 HIS 93 8.032 -19.372 -8.948 759 HD2 HIS 93 HD2 HIS 93 6.943 -22.571 -6.526 760 HE1 HIS 93 HE1 HIS 93 6.676 -18.378 -7.084 761 HE2 HIS 93 HE2 HIS 93 5.872 -20.347 -5.751 762 H HIS 94 H HIS 94 9.863 -22.844 -11.422 763 HA HIS 94 HA HIS 94 11.460 -25.282 -11.028 764 HB2 HIS 94 2HB HIS 94 9.825 -26.646 -12.246 765 HB3 HIS 94 3HB HIS 94 9.119 -25.964 -10.785 766 HD1 HIS 94 HD1 HIS 94 8.805 -25.960 -14.487 767 HD2 HIS 94 HD2 HIS 94 7.139 -23.969 -11.247 768 HE1 HIS 94 HE1 HIS 94 6.768 -24.814 -15.384 769 HE2 HIS 94 HE2 HIS 94 5.670 -23.789 -13.369 770 H HIS 95 H HIS 95 12.730 -25.869 -12.696 771 HA HIS 95 HA HIS 95 12.246 -25.133 -15.415 772 HB2 HIS 95 2HB HIS 95 13.133 -22.969 -14.597 773 HB3 HIS 95 3HB HIS 95 14.584 -23.787 -14.022 774 HD1 HIS 95 HD1 HIS 95 16.397 -24.302 -15.732 775 HD2 HIS 95 HD2 HIS 95 12.942 -22.732 -17.429 776 HE1 HIS 95 HE1 HIS 95 16.989 -23.794 -18.119 777 HE2 HIS 95 HE2 HIS 95 14.949 -22.667 -19.059 778 H HIS 96 H HIS 96 12.951 -26.855 -16.518 779 HA HIS 96 HA HIS 96 14.375 -28.963 -15.338 780 HB2 HIS 96 2HB HIS 96 13.924 -28.376 -18.274 781 HB3 HIS 96 3HB HIS 96 14.505 -29.908 -17.633 782 HD1 HIS 96 HD1 HIS 96 12.701 -30.851 -15.634 783 HD2 HIS 96 HD2 HIS 96 11.251 -28.478 -18.723 784 HE1 HIS 96 HE1 HIS 96 10.237 -31.315 -15.739 785 HE2 HIS 96 HE2 HIS 96 9.407 -29.982 -17.698 786 H HIS 97 H HIS 97 16.475 -29.696 -15.484 787 HA HIS 97 HA HIS 97 18.464 -28.446 -17.116 788 HB2 HIS 97 2HB HIS 97 19.908 -27.616 -15.259 789 HB3 HIS 97 3HB HIS 97 18.412 -26.712 -15.438 790 HD1 HIS 97 HD1 HIS 97 20.414 -28.523 -12.989 791 HD2 HIS 97 HD2 HIS 97 16.440 -27.394 -13.379 792 HE1 HIS 97 HE1 HIS 97 19.436 -28.696 -10.684 793 HE2 HIS 97 HE2 HIS 97 17.001 -28.153 -10.977 Start of MODEL 18 1 H1 MET 1 1H MET 1 -21.112 -6.662 -1.349 2 H2 MET 1 2H MET 1 -20.093 -5.548 -0.587 3 H3 MET 1 3H MET 1 -20.006 -5.763 -2.263 4 HA MET 1 HA MET 1 -21.147 -3.722 -1.737 5 HB2 MET 1 2HB MET 1 -21.776 -4.953 -3.765 6 HB3 MET 1 3HB MET 1 -22.964 -5.875 -2.856 7 HG2 MET 1 2HG MET 1 -23.970 -4.070 -4.189 8 HG3 MET 1 3HG MET 1 -24.273 -3.884 -2.461 9 HE1 MET 1 3HE MET 1 -24.994 -1.342 -2.822 10 HE2 MET 1 1HE MET 1 -24.732 -1.549 -4.555 11 HE3 MET 1 2HE MET 1 -24.016 -0.178 -3.712 12 H ASP 2 H ASP 2 -23.495 -6.310 -0.907 13 HA ASP 2 HA ASP 2 -24.912 -4.516 0.836 14 HB2 ASP 2 2HB ASP 2 -25.273 -7.495 0.432 15 HB3 ASP 2 3HB ASP 2 -26.420 -6.404 1.204 16 H ARG 3 H ARG 3 -23.330 -3.980 2.437 17 HA ARG 3 HA ARG 3 -21.844 -5.848 3.911 18 HB2 ARG 3 2HB ARG 3 -21.466 -4.024 5.541 19 HB3 ARG 3 3HB ARG 3 -21.196 -3.521 3.878 20 HG2 ARG 3 2HG ARG 3 -23.360 -2.403 3.840 21 HG3 ARG 3 3HG ARG 3 -23.685 -2.946 5.488 22 HD2 ARG 3 2HD ARG 3 -21.846 -1.632 6.338 23 HD3 ARG 3 3HD ARG 3 -21.352 -1.195 4.704 24 HE ARG 3 HE ARG 3 -24.016 -0.374 5.148 25 HH11 ARG 3 1HH1 ARG 3 -20.809 0.400 6.144 26 HH12 ARG 3 2HH1 ARG 3 -21.150 2.088 6.306 27 HH21 ARG 3 1HH2 ARG 3 -24.453 1.793 5.394 28 HH22 ARG 3 2HH2 ARG 3 -23.183 2.867 5.875 29 H LYS 4 H LYS 4 -25.079 -4.546 4.500 30 HA LYS 4 HA LYS 4 -25.445 -5.484 7.119 31 HB2 LYS 4 2HB LYS 4 -27.483 -5.156 4.906 32 HB3 LYS 4 3HB LYS 4 -27.887 -5.445 6.593 33 HG2 LYS 4 2HG LYS 4 -26.749 -3.342 7.203 34 HG3 LYS 4 3HG LYS 4 -26.431 -3.044 5.490 35 HD2 LYS 4 2HD LYS 4 -28.841 -3.015 5.047 36 HD3 LYS 4 3HD LYS 4 -29.166 -3.339 6.752 37 HE2 LYS 4 2HE LYS 4 -28.083 -1.218 7.352 38 HE3 LYS 4 3HE LYS 4 -27.771 -0.898 5.647 39 HZ1 LYS 4 3HZ LYS 4 -29.720 0.283 6.391 40 HZ2 LYS 4 1HZ LYS 4 -30.443 -1.152 6.913 41 HZ3 LYS 4 2HZ LYS 4 -30.167 -0.893 5.268 42 H LEU 5 H LEU 5 -25.780 -7.160 4.034 43 HA LEU 5 HA LEU 5 -26.713 -9.604 5.285 44 HB2 LEU 5 2HB LEU 5 -25.954 -8.916 2.445 45 HB3 LEU 5 3HB LEU 5 -26.379 -10.544 2.936 46 HG LEU 5 HG LEU 5 -28.296 -9.513 1.906 47 HD11 LEU 5 1HD1 LEU 5 -28.672 -9.645 4.897 48 HD12 LEU 5 2HD1 LEU 5 -28.761 -10.998 3.769 49 HD13 LEU 5 3HD1 LEU 5 -29.955 -9.705 3.687 50 HD21 LEU 5 3HD2 LEU 5 -29.352 -7.489 2.794 51 HD22 LEU 5 1HD2 LEU 5 -27.713 -7.165 2.227 52 HD23 LEU 5 2HD2 LEU 5 -28.037 -7.306 3.955 53 H LEU 6 H LEU 6 -23.691 -8.346 3.955 54 HA LEU 6 HA LEU 6 -22.170 -10.703 4.000 55 HB2 LEU 6 2HB LEU 6 -21.301 -7.837 4.406 56 HB3 LEU 6 3HB LEU 6 -20.193 -9.175 4.159 57 HG LEU 6 HG LEU 6 -22.267 -8.241 2.161 58 HD11 LEU 6 1HD1 LEU 6 -19.267 -7.909 2.139 59 HD12 LEU 6 2HD1 LEU 6 -20.444 -6.632 2.449 60 HD13 LEU 6 3HD1 LEU 6 -20.383 -7.409 0.868 61 HD21 LEU 6 3HD2 LEU 6 -20.117 -10.353 1.949 62 HD22 LEU 6 1HD2 LEU 6 -21.104 -9.763 0.611 63 HD23 LEU 6 2HD2 LEU 6 -21.862 -10.620 1.951 64 H HIS 7 H HIS 7 -22.643 -8.267 6.565 65 HA HIS 7 HA HIS 7 -20.866 -9.576 8.389 66 HB2 HIS 7 2HB HIS 7 -22.912 -7.387 8.796 67 HB3 HIS 7 3HB HIS 7 -21.892 -8.001 10.093 68 HD1 HIS 7 HD1 HIS 7 -19.273 -7.591 9.809 69 HD2 HIS 7 HD2 HIS 7 -21.705 -5.536 7.139 70 HE1 HIS 7 HE1 HIS 7 -17.819 -5.813 8.803 71 HE2 HIS 7 HE2 HIS 7 -19.266 -4.681 7.088 72 H LEU 8 H LEU 8 -23.892 -10.490 7.340 73 HA LEU 8 HA LEU 8 -24.652 -11.834 9.820 74 HB2 LEU 8 2HB LEU 8 -25.855 -11.930 7.044 75 HB3 LEU 8 3HB LEU 8 -26.497 -12.787 8.432 76 HG LEU 8 HG LEU 8 -26.313 -9.779 8.158 77 HD11 LEU 8 1HD1 LEU 8 -28.750 -9.850 8.017 78 HD12 LEU 8 2HD1 LEU 8 -28.713 -11.611 8.079 79 HD13 LEU 8 3HD1 LEU 8 -28.015 -10.763 6.699 80 HD21 LEU 8 3HD2 LEU 8 -27.486 -11.488 10.356 81 HD22 LEU 8 1HD2 LEU 8 -27.651 -9.736 10.226 82 HD23 LEU 8 2HD2 LEU 8 -26.061 -10.455 10.476 83 H LEU 9 H LEU 9 -22.586 -12.388 7.222 84 HA LEU 9 HA LEU 9 -22.415 -15.268 7.865 85 HB2 LEU 9 2HB LEU 9 -23.362 -14.634 5.553 86 HB3 LEU 9 3HB LEU 9 -21.746 -14.091 5.163 87 HG LEU 9 HG LEU 9 -22.406 -16.931 5.986 88 HD11 LEU 9 1HD1 LEU 9 -22.221 -17.501 3.613 89 HD12 LEU 9 2HD1 LEU 9 -22.041 -15.794 3.212 90 HD13 LEU 9 3HD1 LEU 9 -23.553 -16.380 3.904 91 HD21 LEU 9 3HD2 LEU 9 -20.071 -16.327 6.363 92 HD22 LEU 9 1HD2 LEU 9 -19.936 -15.745 4.700 93 HD23 LEU 9 2HD2 LEU 9 -20.211 -17.458 5.020 94 H CYS 10 H CYS 10 -20.595 -15.502 9.049 95 HA CYS 10 HA CYS 10 -18.355 -13.636 8.584 96 HB2 CYS 10 2HB CYS 10 -17.678 -14.136 10.892 97 HB3 CYS 10 3HB CYS 10 -19.337 -13.551 10.826 98 HG CYS 10 HG CYS 10 -19.140 -16.878 10.690 99 H SER 11 H SER 11 -16.278 -14.331 8.286 100 HA SER 11 HA SER 11 -15.755 -17.240 8.353 101 HB2 SER 11 2HB SER 11 -14.212 -17.005 6.479 102 HB3 SER 11 3HB SER 11 -15.789 -16.372 6.008 103 HG SER 11 HG SER 11 -13.386 -15.108 6.152 104 HA PRO 12 HA PRO 12 -12.600 -16.213 11.324 105 HB2 PRO 12 2HB PRO 12 -10.862 -18.304 10.877 106 HB3 PRO 12 3HB PRO 12 -12.348 -18.430 11.825 107 HG2 PRO 12 2HG PRO 12 -11.861 -19.174 8.960 108 HG3 PRO 12 3HG PRO 12 -12.759 -20.060 10.208 109 HD2 PRO 12 2HD PRO 12 -14.022 -18.616 8.329 110 HD3 PRO 12 3HD PRO 12 -14.639 -18.709 9.992 111 H ASP 13 H ASP 13 -10.395 -15.511 11.501 112 HA ASP 13 HA ASP 13 -9.481 -13.919 9.393 113 HB2 ASP 13 2HB ASP 13 -7.810 -14.953 11.698 114 HB3 ASP 13 3HB ASP 13 -7.535 -13.485 10.763 115 H THR 14 H THR 14 -9.102 -17.261 9.828 116 HA THR 14 HA THR 14 -6.588 -17.653 8.526 117 HB THR 14 HB THR 14 -7.272 -20.037 8.393 118 HG1 THR 14 HG1 THR 14 -9.309 -20.609 8.680 119 HG21 THR 14 3HG2 THR 14 -7.839 -18.769 11.085 120 HG22 THR 14 1HG2 THR 14 -6.240 -19.170 10.457 121 HG23 THR 14 2HG2 THR 14 -7.398 -20.454 10.804 122 H ARG 15 H ARG 15 -9.817 -17.113 7.382 123 HA ARG 15 HA ARG 15 -8.908 -17.601 4.630 124 HB2 ARG 15 2HB ARG 15 -11.082 -18.664 4.072 125 HB3 ARG 15 3HB ARG 15 -10.122 -19.601 5.205 126 HG2 ARG 15 2HG ARG 15 -11.514 -18.670 7.057 127 HG3 ARG 15 3HG ARG 15 -12.535 -17.906 5.839 128 HD2 ARG 15 2HD ARG 15 -13.581 -19.955 6.493 129 HD3 ARG 15 3HD ARG 15 -12.939 -20.175 4.863 130 HE ARG 15 HE ARG 15 -11.240 -21.054 7.059 131 HH11 ARG 15 1HH1 ARG 15 -13.482 -21.934 4.594 132 HH12 ARG 15 2HH1 ARG 15 -13.076 -23.611 4.681 133 HH21 ARG 15 1HH2 ARG 15 -10.739 -23.181 7.169 134 HH22 ARG 15 2HH2 ARG 15 -11.527 -24.316 6.126 135 H GLN 16 H GLN 16 -8.787 -15.481 4.083 136 HA GLN 16 HA GLN 16 -11.333 -14.033 3.796 137 HB2 GLN 16 2HB GLN 16 -8.762 -12.790 4.832 138 HB3 GLN 16 3HB GLN 16 -10.236 -11.910 4.448 139 HG2 GLN 16 2HG GLN 16 -11.409 -13.249 6.198 140 HG3 GLN 16 3HG GLN 16 -9.851 -13.944 6.642 141 HE21 GLN 16 1HE2 GLN 16 -11.664 -12.335 8.242 142 HE22 GLN 16 2HE2 GLN 16 -10.772 -10.947 8.741 143 HA PRO 17 HA PRO 17 -9.994 -13.224 -0.358 144 HB2 PRO 17 2HB PRO 17 -10.755 -10.615 -0.765 145 HB3 PRO 17 3HB PRO 17 -11.874 -11.984 -0.770 146 HG2 PRO 17 2HG PRO 17 -11.242 -10.060 1.448 147 HG3 PRO 17 3HG PRO 17 -12.823 -10.665 0.910 148 HD2 PRO 17 2HD PRO 17 -11.609 -11.674 3.078 149 HD3 PRO 17 3HD PRO 17 -12.541 -12.715 1.979 150 H LEU 18 H LEU 18 -8.826 -11.102 2.159 151 HA LEU 18 HA LEU 18 -6.512 -10.368 0.472 152 HB2 LEU 18 2HB LEU 18 -7.719 -8.808 2.766 153 HB3 LEU 18 3HB LEU 18 -6.273 -8.354 1.886 154 HG LEU 18 HG LEU 18 -9.069 -8.505 0.739 155 HD11 LEU 18 1HD1 LEU 18 -8.880 -6.072 0.541 156 HD12 LEU 18 2HD1 LEU 18 -7.308 -6.126 1.341 157 HD13 LEU 18 3HD1 LEU 18 -8.763 -6.594 2.220 158 HD21 LEU 18 3HD2 LEU 18 -8.085 -7.535 -1.284 159 HD22 LEU 18 1HD2 LEU 18 -7.409 -9.124 -0.931 160 HD23 LEU 18 2HD2 LEU 18 -6.478 -7.671 -0.568 161 H SER 19 H SER 19 -4.451 -10.210 1.525 162 HA SER 19 HA SER 19 -4.224 -11.897 3.951 163 HB2 SER 19 2HB SER 19 -2.197 -11.591 1.707 164 HB3 SER 19 3HB SER 19 -2.044 -12.645 3.114 165 HG SER 19 HG SER 19 -4.325 -13.286 2.038 166 H LEU 20 H LEU 20 -2.134 -11.460 5.206 167 HA LEU 20 HA LEU 20 -1.895 -8.638 5.754 168 HB2 LEU 20 2HB LEU 20 -1.728 -10.627 7.411 169 HB3 LEU 20 3HB LEU 20 -0.083 -10.796 6.845 170 HG LEU 20 HG LEU 20 -0.284 -9.559 8.993 171 HD11 LEU 20 1HD1 LEU 20 1.671 -9.171 7.614 172 HD12 LEU 20 2HD1 LEU 20 1.184 -7.684 8.432 173 HD13 LEU 20 3HD1 LEU 20 0.818 -7.911 6.720 174 HD21 LEU 20 3HD2 LEU 20 -2.412 -8.453 8.582 175 HD22 LEU 20 1HD2 LEU 20 -1.669 -7.460 7.328 176 HD23 LEU 20 2HD2 LEU 20 -1.162 -7.285 9.009 177 H LEU 21 H LEU 21 -0.411 -7.238 4.945 178 HA LEU 21 HA LEU 21 1.163 -7.948 2.718 179 HB2 LEU 21 2HB LEU 21 0.290 -5.698 3.025 180 HB3 LEU 21 3HB LEU 21 1.277 -5.481 4.458 181 HG LEU 21 HG LEU 21 3.315 -5.560 3.101 182 HD11 LEU 21 1HD1 LEU 21 3.174 -5.544 0.642 183 HD12 LEU 21 2HD1 LEU 21 1.441 -5.856 0.749 184 HD13 LEU 21 3HD1 LEU 21 2.592 -7.059 1.333 185 HD21 LEU 21 3HD2 LEU 21 1.284 -3.617 2.000 186 HD22 LEU 21 1HD2 LEU 21 3.039 -3.442 1.944 187 HD23 LEU 21 2HD2 LEU 21 2.198 -3.409 3.494 188 H GLU 22 H GLU 22 2.874 -9.233 2.801 189 HA GLU 22 HA GLU 22 4.515 -9.830 4.945 190 HB2 GLU 22 2HB GLU 22 4.434 -11.137 2.866 191 HB3 GLU 22 3HB GLU 22 5.224 -9.829 2.000 192 HG2 GLU 22 2HG GLU 22 7.239 -10.139 3.337 193 HG3 GLU 22 3HG GLU 22 6.447 -11.420 4.254 194 H SER 23 H SER 23 6.240 -8.896 5.920 195 HA SER 23 HA SER 23 6.716 -6.177 5.771 196 HB2 SER 23 2HB SER 23 7.388 -7.425 7.721 197 HB3 SER 23 3HB SER 23 8.547 -8.364 6.780 198 HG SER 23 HG SER 23 8.969 -6.094 8.047 199 H LYS 24 H LYS 24 8.481 -8.763 4.116 200 HA LYS 24 HA LYS 24 10.597 -7.272 3.080 201 HB2 LYS 24 2HB LYS 24 10.162 -9.820 3.006 202 HB3 LYS 24 3HB LYS 24 9.259 -9.491 1.534 203 HG2 LYS 24 2HG LYS 24 11.517 -10.187 1.003 204 HG3 LYS 24 3HG LYS 24 11.269 -8.508 0.524 205 HD2 LYS 24 2HD LYS 24 13.455 -8.835 1.605 206 HD3 LYS 24 3HD LYS 24 12.428 -7.739 2.530 207 HE2 LYS 24 2HE LYS 24 11.821 -9.630 4.015 208 HE3 LYS 24 3HE LYS 24 12.935 -10.662 3.115 209 HZ1 LYS 24 3HZ LYS 24 14.754 -9.251 3.783 210 HZ2 LYS 24 1HZ LYS 24 13.920 -9.789 5.150 211 HZ3 LYS 24 2HZ LYS 24 13.705 -8.207 4.597 212 H GLY 25 H GLY 25 7.339 -7.779 1.750 213 HA2 GLY 25 2HA GLY 25 7.722 -6.016 -0.495 214 HA3 GLY 25 3HA GLY 25 6.190 -6.663 0.079 215 H LEU 26 H LEU 26 6.515 -5.674 2.786 216 HA LEU 26 HA LEU 26 5.080 -3.315 2.611 217 HB2 LEU 26 2HB LEU 26 5.055 -4.711 4.585 218 HB3 LEU 26 3HB LEU 26 6.748 -4.376 4.890 219 HG LEU 26 HG LEU 26 6.182 -1.998 5.328 220 HD11 LEU 26 1HD1 LEU 26 3.848 -1.345 5.643 221 HD12 LEU 26 2HD1 LEU 26 3.323 -2.922 5.057 222 HD13 LEU 26 3HD1 LEU 26 4.165 -1.817 3.972 223 HD21 LEU 26 3HD2 LEU 26 6.353 -3.591 7.172 224 HD22 LEU 26 1HD2 LEU 26 4.643 -3.985 7.001 225 HD23 LEU 26 2HD2 LEU 26 5.130 -2.365 7.501 226 H GLU 27 H GLU 27 8.600 -3.693 3.024 227 HA GLU 27 HA GLU 27 9.189 -1.007 3.569 228 HB2 GLU 27 2HB GLU 27 11.456 -1.456 2.932 229 HB3 GLU 27 3HB GLU 27 10.829 -2.877 3.756 230 HG2 GLU 27 2HG GLU 27 10.597 -4.063 1.701 231 HG3 GLU 27 3HG GLU 27 10.946 -2.616 0.757 232 H ALA 28 H ALA 28 8.603 -2.616 0.468 233 HA ALA 28 HA ALA 28 9.461 -0.572 -1.255 234 HB1 ALA 28 3HB ALA 28 7.196 -2.533 -1.648 235 HB2 ALA 28 1HB ALA 28 8.889 -2.796 -2.065 236 HB3 ALA 28 2HB ALA 28 7.953 -1.570 -2.919 237 H LEU 29 H LEU 29 6.335 -1.085 0.336 238 HA LEU 29 HA LEU 29 4.965 1.126 -0.745 239 HB2 LEU 29 2HB LEU 29 4.659 -0.346 1.878 240 HB3 LEU 29 3HB LEU 29 3.604 0.972 1.420 241 HG LEU 29 HG LEU 29 2.548 -1.178 0.992 242 HD11 LEU 29 1HD1 LEU 29 3.281 0.244 -1.565 243 HD12 LEU 29 2HD1 LEU 29 1.977 0.687 -0.460 244 HD13 LEU 29 3HD1 LEU 29 1.910 -0.842 -1.337 245 HD21 LEU 29 3HD2 LEU 29 4.839 -1.719 -0.903 246 HD22 LEU 29 1HD2 LEU 29 3.398 -2.719 -0.702 247 HD23 LEU 29 2HD2 LEU 29 4.540 -2.541 0.629 248 H ASN 30 H ASN 30 6.728 0.819 2.347 249 HA ASN 30 HA ASN 30 6.383 3.464 3.216 250 HB2 ASN 30 2HB ASN 30 8.543 1.443 3.854 251 HB3 ASN 30 3HB ASN 30 8.407 3.003 4.665 252 HD21 ASN 30 1HD2 ASN 30 7.010 -0.157 4.292 253 HD22 ASN 30 2HD2 ASN 30 5.913 -0.034 5.617 254 H LYS 31 H LYS 31 9.169 2.047 1.469 255 HA LYS 31 HA LYS 31 10.735 4.343 1.294 256 HB2 LYS 31 2HB LYS 31 10.483 2.055 -0.674 257 HB3 LYS 31 3HB LYS 31 11.749 3.276 -0.733 258 HG2 LYS 31 2HG LYS 31 12.539 2.574 1.474 259 HG3 LYS 31 3HG LYS 31 11.266 1.357 1.548 260 HD2 LYS 31 2HD LYS 31 13.473 1.458 -0.515 261 HD3 LYS 31 3HD LYS 31 13.453 0.412 0.903 262 HE2 LYS 31 2HE LYS 31 11.327 -0.593 0.035 263 HE3 LYS 31 3HE LYS 31 11.548 0.346 -1.441 264 HZ1 LYS 31 3HZ LYS 31 12.386 -1.888 -1.724 265 HZ2 LYS 31 1HZ LYS 31 13.403 -1.719 -0.381 266 HZ3 LYS 31 2HZ LYS 31 13.674 -0.794 -1.774 267 H ALA 32 H ALA 32 8.128 3.240 -0.846 268 HA ALA 32 HA ALA 32 8.366 5.376 -2.723 269 HB1 ALA 32 3HB ALA 32 6.188 4.615 -3.544 270 HB2 ALA 32 1HB ALA 32 6.006 3.589 -2.120 271 HB3 ALA 32 2HB ALA 32 7.286 3.259 -3.288 272 H ILE 33 H ILE 33 6.484 4.930 0.241 273 HA ILE 33 HA ILE 33 4.902 7.264 0.076 274 HB ILE 33 HB ILE 33 5.883 5.692 2.469 275 HG12 ILE 33 2HG1 ILE 33 3.160 5.863 1.143 276 HG13 ILE 33 3HG1 ILE 33 4.304 4.540 0.951 277 HG21 ILE 33 1HG2 ILE 33 3.869 7.947 2.448 278 HG22 ILE 33 2HG2 ILE 33 5.471 7.983 3.188 279 HG23 ILE 33 3HG2 ILE 33 4.230 6.902 3.821 280 HD11 ILE 33 3HD1 ILE 33 4.098 4.016 3.323 281 HD12 ILE 33 1HD1 ILE 33 2.538 3.963 2.505 282 HD13 ILE 33 2HD1 ILE 33 2.954 5.345 3.519 283 H VAL 34 H VAL 34 8.053 6.699 1.664 284 HA VAL 34 HA VAL 34 8.497 9.310 2.581 285 HB VAL 34 HB VAL 34 10.564 7.301 1.638 286 HG11 VAL 34 1HG1 VAL 34 12.134 8.503 3.091 287 HG12 VAL 34 2HG1 VAL 34 10.884 9.690 3.462 288 HG13 VAL 34 3HG1 VAL 34 11.506 9.550 1.817 289 HG21 VAL 34 3HG2 VAL 34 9.127 6.361 3.374 290 HG22 VAL 34 1HG2 VAL 34 9.403 7.773 4.393 291 HG23 VAL 34 2HG2 VAL 34 10.735 6.680 4.022 292 H SER 35 H SER 35 9.021 7.836 -0.571 293 HA SER 35 HA SER 35 10.279 10.133 -1.751 294 HB2 SER 35 2HB SER 35 10.591 7.827 -2.624 295 HB3 SER 35 3HB SER 35 8.900 7.806 -3.121 296 HG SER 35 HG SER 35 10.718 9.800 -3.997 297 H GLY 36 H GLY 36 6.972 9.144 -1.253 298 HA2 GLY 36 2HA GLY 36 5.078 10.488 -1.356 299 HA3 GLY 36 3HA GLY 36 6.041 11.750 -2.102 300 H THR 37 H THR 37 5.765 8.448 -3.325 301 HA THR 37 HA THR 37 4.442 9.530 -5.749 302 HB THR 37 HB THR 37 6.645 8.684 -6.275 303 HG1 THR 37 HG1 THR 37 4.740 6.725 -7.118 304 HG21 THR 37 3HG2 THR 37 5.761 6.057 -5.071 305 HG22 THR 37 1HG2 THR 37 6.928 7.172 -4.360 306 HG23 THR 37 2HG2 THR 37 7.296 6.363 -5.881 307 H VAL 38 H VAL 38 3.463 8.081 -3.093 308 HA VAL 38 HA VAL 38 2.001 5.846 -4.300 309 HB VAL 38 HB VAL 38 2.151 6.677 -1.392 310 HG11 VAL 38 1HG1 VAL 38 0.112 5.420 -1.916 311 HG12 VAL 38 2HG1 VAL 38 1.212 4.465 -0.923 312 HG13 VAL 38 3HG1 VAL 38 1.084 4.145 -2.653 313 HG21 VAL 38 3HG2 VAL 38 3.623 4.514 -2.900 314 HG22 VAL 38 1HG2 VAL 38 3.654 4.736 -1.150 315 HG23 VAL 38 2HG2 VAL 38 4.323 5.977 -2.208 316 H GLN 39 H GLN 39 0.057 6.229 -5.135 317 HA GLN 39 HA GLN 39 -1.676 8.303 -3.943 318 HB2 GLN 39 2HB GLN 39 -1.771 7.070 -6.712 319 HB3 GLN 39 3HB GLN 39 -2.880 8.293 -6.107 320 HG2 GLN 39 2HG GLN 39 -1.037 9.876 -5.890 321 HG3 GLN 39 3HG GLN 39 0.095 8.651 -6.458 322 HE21 GLN 39 1HE2 GLN 39 0.089 8.093 -8.642 323 HE22 GLN 39 2HE2 GLN 39 -0.696 9.065 -9.834 324 H ARG 40 H ARG 40 -3.556 7.695 -2.966 325 HA ARG 40 HA ARG 40 -4.322 4.888 -3.002 326 HB2 ARG 40 2HB ARG 40 -6.089 5.606 -1.363 327 HB3 ARG 40 3HB ARG 40 -4.434 5.892 -0.847 328 HG2 ARG 40 2HG ARG 40 -4.641 8.253 -1.359 329 HG3 ARG 40 3HG ARG 40 -6.264 7.996 -2.005 330 HD2 ARG 40 2HD ARG 40 -5.469 7.376 0.846 331 HD3 ARG 40 3HD ARG 40 -6.193 8.905 0.337 332 HE ARG 40 HE ARG 40 -8.053 7.347 -0.537 333 HH11 ARG 40 1HH1 ARG 40 -6.270 6.802 2.375 334 HH12 ARG 40 2HH1 ARG 40 -7.581 5.947 3.116 335 HH21 ARG 40 1HH2 ARG 40 -9.699 6.296 0.448 336 HH22 ARG 40 2HH2 ARG 40 -9.485 5.670 2.056 337 H ALA 41 H ALA 41 -6.756 4.403 -3.184 338 HA ALA 41 HA ALA 41 -7.479 4.650 -5.828 339 HB1 ALA 41 3HB ALA 41 -8.365 2.964 -4.279 340 HB2 ALA 41 1HB ALA 41 -9.642 3.753 -5.208 341 HB3 ALA 41 2HB ALA 41 -9.370 4.201 -3.524 342 H ASP 42 H ASP 42 -8.631 6.678 -3.139 343 HA ASP 42 HA ASP 42 -10.554 8.196 -4.436 344 HB2 ASP 42 2HB ASP 42 -8.593 9.136 -2.327 345 HB3 ASP 42 3HB ASP 42 -10.122 9.915 -2.729 346 H GLY 43 H GLY 43 -7.107 8.339 -4.836 347 HA2 GLY 43 2HA GLY 43 -6.127 9.395 -6.756 348 HA3 GLY 43 3HA GLY 43 -7.415 10.588 -6.723 349 H SER 44 H SER 44 -6.222 9.978 -3.624 350 HA SER 44 HA SER 44 -4.717 12.504 -3.646 351 HB2 SER 44 2HB SER 44 -5.870 10.932 -1.324 352 HB3 SER 44 3HB SER 44 -5.015 12.467 -1.184 353 HG SER 44 HG SER 44 -6.828 13.410 -1.603 354 H ILE 45 H ILE 45 -2.747 12.694 -2.389 355 HA ILE 45 HA ILE 45 -0.974 10.450 -2.793 356 HB ILE 45 HB ILE 45 -0.438 13.183 -1.599 357 HG12 ILE 45 2HG1 ILE 45 -1.133 13.197 -3.993 358 HG13 ILE 45 3HG1 ILE 45 0.518 13.759 -3.753 359 HG21 ILE 45 1HG2 ILE 45 1.207 11.567 -0.813 360 HG22 ILE 45 2HG2 ILE 45 1.941 12.682 -1.964 361 HG23 ILE 45 3HG2 ILE 45 1.515 11.047 -2.471 362 HD11 ILE 45 3HD1 ILE 45 1.381 11.621 -4.500 363 HD12 ILE 45 1HD1 ILE 45 0.298 12.311 -5.709 364 HD13 ILE 45 2HD1 ILE 45 -0.262 10.999 -4.674 365 H GLN 46 H GLN 46 0.137 9.297 -1.235 366 HA GLN 46 HA GLN 46 -0.831 9.546 1.546 367 HB2 GLN 46 2HB GLN 46 -1.562 7.471 0.557 368 HB3 GLN 46 3HB GLN 46 0.059 7.110 -0.017 369 HG2 GLN 46 2HG GLN 46 0.829 6.796 2.267 370 HG3 GLN 46 3HG GLN 46 -0.762 7.249 2.884 371 HE21 GLN 46 1HE2 GLN 46 -0.414 5.332 0.008 372 HE22 GLN 46 2HE2 GLN 46 -1.006 3.862 0.683 373 H ASN 47 H ASN 47 0.732 10.899 2.361 374 HA ASN 47 HA ASN 47 3.558 10.101 2.098 375 HB2 ASN 47 2HB ASN 47 2.232 12.740 2.733 376 HB3 ASN 47 3HB ASN 47 3.954 12.475 2.990 377 HD21 ASN 47 1HD2 ASN 47 2.538 14.280 1.131 378 HD22 ASN 47 2HD2 ASN 47 3.150 13.884 -0.435 379 H GLN 48 H GLN 48 1.933 8.644 3.906 380 HA GLN 48 HA GLN 48 3.252 9.354 6.448 381 HB2 GLN 48 2HB GLN 48 0.424 8.319 6.127 382 HB3 GLN 48 3HB GLN 48 1.254 8.510 7.664 383 HG2 GLN 48 2HG GLN 48 0.611 10.740 5.741 384 HG3 GLN 48 3HG GLN 48 -0.299 10.354 7.199 385 HE21 GLN 48 1HE2 GLN 48 1.143 12.799 6.425 386 HE22 GLN 48 2HE2 GLN 48 2.274 13.094 7.698 387 H SER 49 H SER 49 4.636 7.802 7.016 388 HA SER 49 HA SER 49 4.654 5.232 5.753 389 HB2 SER 49 2HB SER 49 6.291 6.256 8.093 390 HB3 SER 49 3HB SER 49 6.607 4.764 7.207 391 HG SER 49 HG SER 49 6.466 7.262 5.883 392 H LEU 50 H LEU 50 3.273 3.645 6.273 393 HA LEU 50 HA LEU 50 2.254 3.437 9.009 394 HB2 LEU 50 2HB LEU 50 0.685 1.735 7.986 395 HB3 LEU 50 3HB LEU 50 0.506 3.392 7.453 396 HG LEU 50 HG LEU 50 1.855 2.769 5.395 397 HD11 LEU 50 1HD1 LEU 50 1.920 0.404 4.766 398 HD12 LEU 50 2HD1 LEU 50 1.320 -0.039 6.364 399 HD13 LEU 50 3HD1 LEU 50 2.900 0.727 6.194 400 HD21 LEU 50 3HD2 LEU 50 -0.785 1.370 5.820 401 HD22 LEU 50 1HD2 LEU 50 -0.060 1.765 4.261 402 HD23 LEU 50 2HD2 LEU 50 -0.567 3.056 5.349 403 H HIS 51 H HIS 51 1.818 1.063 9.734 404 HA HIS 51 HA HIS 51 4.336 -0.448 9.385 405 HB2 HIS 51 2HB HIS 51 2.642 -0.262 11.891 406 HB3 HIS 51 3HB HIS 51 4.151 -1.154 11.715 407 HD1 HIS 51 HD1 HIS 51 6.313 0.396 11.167 408 HD2 HIS 51 HD2 HIS 51 2.963 2.347 12.674 409 HE1 HIS 51 HE1 HIS 51 7.139 2.616 11.981 410 HE2 HIS 51 HE2 HIS 51 5.128 3.729 13.003 411 H GLU 52 H GLU 52 0.827 -0.695 9.769 412 HA GLU 52 HA GLU 52 1.009 -3.513 8.892 413 HB2 GLU 52 2HB GLU 52 -1.037 -2.158 10.654 414 HB3 GLU 52 3HB GLU 52 -1.336 -3.716 9.892 415 HG2 GLU 52 2HG GLU 52 0.498 -4.715 11.086 416 HG3 GLU 52 3HG GLU 52 0.968 -3.153 11.752 417 H ALA 53 H ALA 53 -0.147 -4.173 7.145 418 HA ALA 53 HA ALA 53 -2.234 -2.576 5.958 419 HB1 ALA 53 3HB ALA 53 -0.223 -1.416 5.139 420 HB2 ALA 53 1HB ALA 53 -1.133 -2.166 3.829 421 HB3 ALA 53 2HB ALA 53 0.346 -2.924 4.421 422 H LEU 54 H LEU 54 -3.087 -3.613 3.935 423 HA LEU 54 HA LEU 54 -2.848 -6.550 4.112 424 HB2 LEU 54 2HB LEU 54 -5.072 -4.824 3.034 425 HB3 LEU 54 3HB LEU 54 -5.058 -6.573 2.957 426 HG LEU 54 HG LEU 54 -5.062 -4.966 5.519 427 HD11 LEU 54 1HD1 LEU 54 -7.142 -4.666 4.265 428 HD12 LEU 54 2HD1 LEU 54 -7.402 -5.628 5.717 429 HD13 LEU 54 3HD1 LEU 54 -7.328 -6.417 4.142 430 HD21 LEU 54 3HD2 LEU 54 -4.028 -7.156 5.779 431 HD22 LEU 54 1HD2 LEU 54 -5.415 -7.926 5.008 432 HD23 LEU 54 2HD2 LEU 54 -5.604 -7.124 6.568 433 H ILE 55 H ILE 55 -2.607 -7.788 2.246 434 HA ILE 55 HA ILE 55 -2.058 -6.320 -0.254 435 HB ILE 55 HB ILE 55 0.042 -7.150 0.698 436 HG12 ILE 55 2HG1 ILE 55 0.833 -8.472 -1.253 437 HG13 ILE 55 3HG1 ILE 55 -0.840 -8.706 -1.754 438 HG21 ILE 55 1HG2 ILE 55 -0.830 -9.022 2.003 439 HG22 ILE 55 2HG2 ILE 55 0.483 -9.545 0.946 440 HG23 ILE 55 3HG2 ILE 55 -1.192 -9.902 0.515 441 HD11 ILE 55 3HD1 ILE 55 0.209 -6.964 -3.053 442 HD12 ILE 55 1HD1 ILE 55 0.621 -6.079 -1.583 443 HD13 ILE 55 2HD1 ILE 55 -1.069 -6.282 -2.046 444 H THR 56 H THR 56 -3.202 -6.955 -1.984 445 HA THR 56 HA THR 56 -5.123 -9.001 -1.999 446 HB THR 56 HB THR 56 -5.055 -8.818 -4.493 447 HG1 THR 56 HG1 THR 56 -2.742 -7.311 -3.872 448 HG21 THR 56 3HG2 THR 56 -5.777 -6.477 -4.617 449 HG22 THR 56 1HG2 THR 56 -5.064 -6.171 -3.033 450 HG23 THR 56 2HG2 THR 56 -6.434 -7.269 -3.185 451 H ARG 57 H ARG 57 -5.090 -11.141 -2.699 452 HA ARG 57 HA ARG 57 -2.794 -12.667 -2.341 453 HB2 ARG 57 2HB ARG 57 -4.032 -14.521 -3.348 454 HB3 ARG 57 3HB ARG 57 -5.068 -13.595 -2.271 455 HG2 ARG 57 2HG ARG 57 -6.096 -12.484 -4.174 456 HG3 ARG 57 3HG ARG 57 -5.021 -13.346 -5.276 457 HD2 ARG 57 2HD ARG 57 -5.987 -15.486 -4.435 458 HD3 ARG 57 3HD ARG 57 -7.145 -14.542 -3.495 459 HE ARG 57 HE ARG 57 -7.223 -13.772 -6.217 460 HH11 ARG 57 1HH1 ARG 57 -8.143 -16.345 -4.130 461 HH12 ARG 57 2HH1 ARG 57 -9.474 -16.829 -5.118 462 HH21 ARG 57 1HH2 ARG 57 -8.909 -14.421 -7.512 463 HH22 ARG 57 2HH2 ARG 57 -9.902 -15.744 -7.014 464 H ASP 58 H ASP 58 -4.039 -11.186 -5.275 465 HA ASP 58 HA ASP 58 -2.131 -12.456 -7.024 466 HB2 ASP 58 2HB ASP 58 -3.941 -10.095 -7.584 467 HB3 ASP 58 3HB ASP 58 -3.156 -11.131 -8.775 468 H ARG 59 H ARG 59 -1.905 -9.954 -4.838 469 HA ARG 59 HA ARG 59 -0.212 -8.561 -4.259 470 HB2 ARG 59 2HB ARG 59 1.392 -9.747 -6.535 471 HB3 ARG 59 3HB ARG 59 2.006 -8.985 -5.074 472 HG2 ARG 59 2HG ARG 59 0.517 -11.610 -5.220 473 HG3 ARG 59 3HG ARG 59 2.253 -11.409 -4.981 474 HD2 ARG 59 2HD ARG 59 1.945 -10.459 -2.834 475 HD3 ARG 59 3HD ARG 59 0.218 -10.231 -3.100 476 HE ARG 59 HE ARG 59 0.168 -12.779 -3.179 477 HH11 ARG 59 1HH1 ARG 59 2.516 -11.059 -1.324 478 HH12 ARG 59 2HH1 ARG 59 2.546 -12.251 -0.068 479 HH21 ARG 59 1HH2 ARG 59 0.239 -14.294 -1.580 480 HH22 ARG 59 2HH2 ARG 59 1.286 -14.077 -0.223 481 H LYS 60 H LYS 60 -2.199 -7.607 -6.134 482 HA LYS 60 HA LYS 60 -0.613 -5.793 -7.838 483 HB2 LYS 60 2HB LYS 60 -3.486 -6.663 -8.190 484 HB3 LYS 60 3HB LYS 60 -2.586 -5.610 -9.279 485 HG2 LYS 60 2HG LYS 60 -0.973 -7.461 -9.656 486 HG3 LYS 60 3HG LYS 60 -1.998 -8.506 -8.669 487 HD2 LYS 60 2HD LYS 60 -3.850 -8.144 -10.261 488 HD3 LYS 60 3HD LYS 60 -2.777 -7.158 -11.261 489 HE2 LYS 60 2HE LYS 60 -1.261 -9.131 -11.463 490 HE3 LYS 60 3HE LYS 60 -2.461 -10.089 -10.597 491 HZ1 LYS 60 3HZ LYS 60 -4.050 -9.400 -12.408 492 HZ2 LYS 60 1HZ LYS 60 -2.828 -10.479 -12.856 493 HZ3 LYS 60 2HZ LYS 60 -2.701 -8.849 -13.269 494 H GLN 61 H GLN 61 -3.149 -5.842 -5.383 495 HA GLN 61 HA GLN 61 -2.806 -2.916 -5.166 496 HB2 GLN 61 2HB GLN 61 -5.387 -4.453 -4.783 497 HB3 GLN 61 3HB GLN 61 -5.163 -2.769 -4.325 498 HG2 GLN 61 2HG GLN 61 -4.590 -2.306 -6.734 499 HG3 GLN 61 3HG GLN 61 -5.114 -3.949 -7.095 500 HE21 GLN 61 1HE2 GLN 61 -7.320 -4.455 -6.921 501 HE22 GLN 61 2HE2 GLN 61 -8.535 -3.229 -6.856 502 H VAL 62 H VAL 62 -2.856 -2.024 -3.079 503 HA VAL 62 HA VAL 62 -2.499 -3.946 -0.857 504 HB VAL 62 HB VAL 62 -0.988 -1.348 -1.255 505 HG11 VAL 62 1HG1 VAL 62 -0.677 -3.507 0.835 506 HG12 VAL 62 2HG1 VAL 62 -1.299 -1.877 1.096 507 HG13 VAL 62 3HG1 VAL 62 0.386 -2.115 0.636 508 HG21 VAL 62 3HG2 VAL 62 -0.016 -4.191 -1.589 509 HG22 VAL 62 1HG2 VAL 62 0.985 -2.742 -1.675 510 HG23 VAL 62 2HG2 VAL 62 -0.269 -3.019 -2.883 511 H PHE 63 H PHE 63 -4.026 -3.683 0.659 512 HA PHE 63 HA PHE 63 -5.424 -1.114 0.929 513 HB2 PHE 63 2HB PHE 63 -6.069 -3.852 2.056 514 HB3 PHE 63 3HB PHE 63 -7.027 -2.412 2.353 515 HD1 PHE 63 HD2 PHE 63 -5.645 -4.367 -0.528 516 HD2 PHE 63 HD1 PHE 63 -8.887 -2.088 1.036 517 HE1 PHE 63 HE2 PHE 63 -6.955 -4.845 -2.552 518 HE2 PHE 63 HE1 PHE 63 -10.203 -2.570 -0.986 519 HZ PHE 63 HZ PHE 63 -9.238 -3.952 -2.784 520 H ARG 64 H ARG 64 -6.190 -0.854 3.443 521 HA ARG 64 HA ARG 64 -3.658 -0.791 4.971 522 HB2 ARG 64 2HB ARG 64 -5.811 1.224 4.603 523 HB3 ARG 64 3HB ARG 64 -5.077 1.137 6.196 524 HG2 ARG 64 2HG ARG 64 -3.971 2.812 4.848 525 HG3 ARG 64 3HG ARG 64 -2.868 1.482 5.208 526 HD2 ARG 64 2HD ARG 64 -3.466 0.537 2.938 527 HD3 ARG 64 3HD ARG 64 -4.282 2.066 2.608 528 HE ARG 64 HE ARG 64 -1.970 3.050 3.174 529 HH11 ARG 64 1HH1 ARG 64 -2.519 0.072 1.534 530 HH12 ARG 64 2HH1 ARG 64 -0.983 0.096 0.747 531 HH21 ARG 64 1HH2 ARG 64 -0.001 3.072 2.178 532 HH22 ARG 64 2HH2 ARG 64 0.435 1.784 1.107 533 H ILE 65 H ILE 65 -4.072 -0.456 7.405 534 HA ILE 65 HA ILE 65 -6.297 -2.103 8.404 535 HB ILE 65 HB ILE 65 -3.394 -2.518 9.179 536 HG12 ILE 65 2HG1 ILE 65 -5.338 -4.352 7.751 537 HG13 ILE 65 3HG1 ILE 65 -3.954 -3.542 7.019 538 HG21 ILE 65 1HG2 ILE 65 -5.876 -3.896 10.219 539 HG22 ILE 65 2HG2 ILE 65 -4.883 -2.738 11.107 540 HG23 ILE 65 3HG2 ILE 65 -4.212 -4.301 10.643 541 HD11 ILE 65 3HD1 ILE 65 -3.472 -5.874 7.471 542 HD12 ILE 65 1HD1 ILE 65 -3.842 -5.640 9.179 543 HD13 ILE 65 2HD1 ILE 65 -2.453 -4.827 8.457 544 H GLU 66 H GLU 66 -7.204 -1.284 10.218 545 HA GLU 66 HA GLU 66 -5.612 0.447 11.975 546 HB2 GLU 66 2HB GLU 66 -7.468 2.048 12.181 547 HB3 GLU 66 3HB GLU 66 -6.871 1.967 10.530 548 HG2 GLU 66 2HG GLU 66 -8.775 0.499 9.945 549 HG3 GLU 66 3HG GLU 66 -9.379 0.668 11.592 550 H ASP 67 H ASP 67 -6.206 0.348 14.171 551 HA ASP 67 HA ASP 67 -6.879 -0.715 16.071 552 HB2 ASP 67 2HB ASP 67 -9.055 0.288 15.291 553 HB3 ASP 67 3HB ASP 67 -9.439 -1.256 14.538 554 H SER 68 H SER 68 -5.539 -2.258 13.919 555 HA SER 68 HA SER 68 -4.902 -4.363 13.362 556 HB2 SER 68 2HB SER 68 -6.319 -5.097 15.939 557 HB3 SER 68 3HB SER 68 -5.299 -6.200 15.012 558 HG SER 68 HG SER 68 -4.577 -4.293 16.778 559 H ILE 69 H ILE 69 -7.770 -3.299 12.812 560 HA ILE 69 HA ILE 69 -9.034 -5.827 12.010 561 HB ILE 69 HB ILE 69 -10.148 -3.007 12.034 562 HG12 ILE 69 2HG1 ILE 69 -9.812 -3.886 14.297 563 HG13 ILE 69 3HG1 ILE 69 -11.530 -3.808 13.926 564 HG21 ILE 69 1HG2 ILE 69 -11.200 -4.306 10.278 565 HG22 ILE 69 2HG2 ILE 69 -12.333 -4.068 11.607 566 HG23 ILE 69 3HG2 ILE 69 -11.526 -5.623 11.407 567 HD11 ILE 69 3HD1 ILE 69 -10.929 -5.845 15.125 568 HD12 ILE 69 1HD1 ILE 69 -9.835 -6.295 13.818 569 HD13 ILE 69 2HD1 ILE 69 -11.573 -6.200 13.524 570 HA PRO 70 HA PRO 70 -7.478 -5.161 7.866 571 HB2 PRO 70 2HB PRO 70 -9.051 -7.004 6.594 572 HB3 PRO 70 3HB PRO 70 -7.622 -7.429 7.544 573 HG2 PRO 70 2HG PRO 70 -10.514 -7.483 8.341 574 HG3 PRO 70 3HG PRO 70 -9.248 -8.691 8.641 575 HD2 PRO 70 2HD PRO 70 -10.021 -6.947 10.542 576 HD3 PRO 70 3HD PRO 70 -8.332 -7.477 10.395 577 H VAL 71 H VAL 71 -8.070 -3.225 6.992 578 HA VAL 71 HA VAL 71 -10.827 -2.498 6.576 579 HB VAL 71 HB VAL 71 -8.326 -1.112 5.571 580 HG11 VAL 71 1HG1 VAL 71 -11.164 -0.102 5.834 581 HG12 VAL 71 2HG1 VAL 71 -10.321 -0.451 4.324 582 HG13 VAL 71 3HG1 VAL 71 -9.767 0.868 5.358 583 HG21 VAL 71 3HG2 VAL 71 -8.618 0.382 7.499 584 HG22 VAL 71 1HG2 VAL 71 -8.334 -1.284 8.004 585 HG23 VAL 71 2HG2 VAL 71 -9.964 -0.612 8.062 586 H LEU 72 H LEU 72 -11.876 -3.701 5.095 587 HA LEU 72 HA LEU 72 -10.603 -4.530 2.619 588 HB2 LEU 72 2HB LEU 72 -13.453 -4.975 3.519 589 HB3 LEU 72 3HB LEU 72 -12.616 -5.820 2.230 590 HG LEU 72 HG LEU 72 -12.000 -6.019 5.188 591 HD11 LEU 72 1HD1 LEU 72 -12.753 -8.331 4.955 592 HD12 LEU 72 2HD1 LEU 72 -13.157 -8.035 3.262 593 HD13 LEU 72 3HD1 LEU 72 -14.037 -7.195 4.538 594 HD21 LEU 72 3HD2 LEU 72 -10.397 -7.764 4.543 595 HD22 LEU 72 1HD2 LEU 72 -9.946 -6.186 3.895 596 HD23 LEU 72 2HD2 LEU 72 -10.684 -7.395 2.843 597 H LEU 73 H LEU 73 -11.581 -1.628 3.312 598 HA LEU 73 HA LEU 73 -13.562 -1.105 1.286 599 HB2 LEU 73 2HB LEU 73 -11.904 0.775 2.972 600 HB3 LEU 73 3HB LEU 73 -13.194 1.280 1.894 601 HG LEU 73 HG LEU 73 -13.512 -0.453 4.356 602 HD11 LEU 73 1HD1 LEU 73 -14.381 2.387 3.801 603 HD12 LEU 73 2HD1 LEU 73 -13.085 1.884 4.888 604 HD13 LEU 73 3HD1 LEU 73 -14.755 1.457 5.253 605 HD21 LEU 73 3HD2 LEU 73 -15.597 0.567 2.418 606 HD22 LEU 73 1HD2 LEU 73 -15.922 -0.272 3.936 607 HD23 LEU 73 2HD2 LEU 73 -15.097 -1.112 2.625 608 HA PRO 74 HA PRO 74 -10.734 -0.869 -2.149 609 HB2 PRO 74 2HB PRO 74 -12.345 0.628 -3.827 610 HB3 PRO 74 3HB PRO 74 -12.488 -1.117 -3.594 611 HG2 PRO 74 2HG PRO 74 -14.053 1.099 -2.316 612 HG3 PRO 74 3HG PRO 74 -14.630 -0.449 -2.965 613 HD2 PRO 74 2HD PRO 74 -14.315 -0.088 -0.331 614 HD3 PRO 74 3HD PRO 74 -13.914 -1.641 -1.096 615 H GLU 75 H GLU 75 -12.078 1.971 -0.620 616 HA GLU 75 HA GLU 75 -10.628 3.944 -2.020 617 HB2 GLU 75 2HB GLU 75 -11.125 5.381 -0.021 618 HB3 GLU 75 3HB GLU 75 -12.533 4.603 -0.729 619 HG2 GLU 75 2HG GLU 75 -12.306 2.832 1.048 620 HG3 GLU 75 3HG GLU 75 -11.104 3.873 1.814 621 H GLU 76 H GLU 76 -9.801 1.961 0.789 622 HA GLU 76 HA GLU 76 -7.249 3.258 1.209 623 HB2 GLU 76 2HB GLU 76 -8.735 1.002 2.462 624 HB3 GLU 76 3HB GLU 76 -6.985 0.950 2.591 625 HG2 GLU 76 2HG GLU 76 -7.884 1.976 4.554 626 HG3 GLU 76 3HG GLU 76 -7.015 3.190 3.620 627 H ALA 77 H ALA 77 -8.142 1.547 -1.355 628 HA ALA 77 HA ALA 77 -5.960 -0.390 -1.438 629 HB1 ALA 77 3HB ALA 77 -6.927 -1.141 -3.536 630 HB2 ALA 77 1HB ALA 77 -8.050 0.222 -3.531 631 HB3 ALA 77 2HB ALA 77 -8.170 -1.027 -2.290 632 H ILE 78 H ILE 78 -4.003 0.289 -1.967 633 HA ILE 78 HA ILE 78 -3.642 2.366 -4.025 634 HB ILE 78 HB ILE 78 -1.717 1.208 -1.988 635 HG12 ILE 78 2HG1 ILE 78 -1.531 3.630 -1.302 636 HG13 ILE 78 3HG1 ILE 78 -2.838 3.991 -2.421 637 HG21 ILE 78 1HG2 ILE 78 0.016 2.672 -2.897 638 HG22 ILE 78 2HG2 ILE 78 -1.071 3.178 -4.191 639 HG23 ILE 78 3HG2 ILE 78 -0.519 1.505 -4.103 640 HD11 ILE 78 3HD1 ILE 78 -3.034 2.151 -0.050 641 HD12 ILE 78 1HD1 ILE 78 -4.346 2.598 -1.139 642 HD13 ILE 78 2HD1 ILE 78 -3.601 3.819 -0.109 643 H ALA 79 H ALA 79 -2.846 1.872 -6.020 644 HA ALA 79 HA ALA 79 -2.424 -0.895 -6.732 645 HB1 ALA 79 3HB ALA 79 -3.584 0.628 -8.255 646 HB2 ALA 79 1HB ALA 79 -2.141 -0.051 -9.009 647 HB3 ALA 79 2HB ALA 79 -2.122 1.604 -8.401 648 H THR 80 H THR 80 -0.510 -1.917 -7.242 649 HA THR 80 HA THR 80 1.859 -1.050 -5.996 650 HB THR 80 HB THR 80 3.002 -2.901 -7.173 651 HG1 THR 80 HG1 THR 80 1.241 -4.215 -8.427 652 HG21 THR 80 3HG2 THR 80 1.671 -4.727 -6.244 653 HG22 THR 80 1HG2 THR 80 0.267 -3.664 -6.125 654 HG23 THR 80 2HG2 THR 80 1.694 -3.356 -5.135 655 H ILE 81 H ILE 81 0.638 -0.350 -9.152 656 HA ILE 81 HA ILE 81 3.003 0.244 -10.539 657 HB ILE 81 HB ILE 81 0.767 0.052 -11.597 658 HG12 ILE 81 2HG1 ILE 81 1.046 1.904 -13.230 659 HG13 ILE 81 3HG1 ILE 81 2.188 2.681 -12.140 660 HG21 ILE 81 1HG2 ILE 81 0.259 2.783 -10.408 661 HG22 ILE 81 2HG2 ILE 81 -0.546 1.282 -9.956 662 HG23 ILE 81 3HG2 ILE 81 -0.780 1.955 -11.568 663 HD11 ILE 81 3HD1 ILE 81 3.712 0.796 -12.379 664 HD12 ILE 81 1HD1 ILE 81 3.315 1.503 -13.946 665 HD13 ILE 81 2HD1 ILE 81 2.559 -0.008 -13.445 666 H GLN 82 H GLN 82 1.471 1.948 -7.956 667 HA GLN 82 HA GLN 82 2.611 4.533 -8.516 668 HB2 GLN 82 2HB GLN 82 1.384 3.429 -5.977 669 HB3 GLN 82 3HB GLN 82 1.801 5.116 -6.245 670 HG2 GLN 82 2HG GLN 82 -0.257 3.521 -7.762 671 HG3 GLN 82 3HG GLN 82 -0.576 4.758 -6.545 672 HE21 GLN 82 1HE2 GLN 82 -1.407 4.642 -9.332 673 HE22 GLN 82 2HE2 GLN 82 -0.793 6.074 -10.078 674 H ILE 83 H ILE 83 3.808 1.650 -7.147 675 HA ILE 83 HA ILE 83 5.704 2.895 -5.349 676 HB ILE 83 HB ILE 83 5.597 0.003 -6.243 677 HG12 ILE 83 2HG1 ILE 83 3.472 0.581 -5.228 678 HG13 ILE 83 3HG1 ILE 83 4.398 -0.389 -4.087 679 HG21 ILE 83 1HG2 ILE 83 6.851 -0.436 -4.174 680 HG22 ILE 83 2HG2 ILE 83 6.921 1.298 -3.854 681 HG23 ILE 83 3HG2 ILE 83 7.740 0.627 -5.267 682 HD11 ILE 83 3HD1 ILE 83 5.000 1.620 -2.856 683 HD12 ILE 83 1HD1 ILE 83 3.250 1.455 -2.991 684 HD13 ILE 83 2HD1 ILE 83 4.108 2.607 -4.013 685 H ALA 84 H ALA 84 7.063 4.179 -6.558 686 HA ALA 84 HA ALA 84 8.205 3.488 -9.044 687 HB1 ALA 84 3HB ALA 84 9.600 5.463 -8.756 688 HB2 ALA 84 1HB ALA 84 9.181 5.530 -7.044 689 HB3 ALA 84 2HB ALA 84 7.939 5.799 -8.266 690 H ASN 85 H ASN 85 8.889 2.001 -6.192 691 HA ASN 85 HA ASN 85 11.637 1.354 -7.059 692 HB2 ASN 85 2HB ASN 85 12.265 1.029 -4.704 693 HB3 ASN 85 3HB ASN 85 11.714 2.677 -4.991 694 HD21 ASN 85 1HD2 ASN 85 9.777 3.351 -4.087 695 HD22 ASN 85 2HD2 ASN 85 8.962 2.445 -2.862 696 H PHE 86 H PHE 86 8.750 0.100 -7.258 697 HA PHE 86 HA PHE 86 8.732 -2.324 -5.857 698 HB2 PHE 86 2HB PHE 86 6.871 -1.127 -7.234 699 HB3 PHE 86 3HB PHE 86 7.510 -2.039 -8.594 700 HD1 PHE 86 HD1 PHE 86 6.475 -2.593 -5.066 701 HD2 PHE 86 HD2 PHE 86 6.496 -4.077 -9.055 702 HE1 PHE 86 HE1 PHE 86 5.104 -4.511 -4.355 703 HE2 PHE 86 HE2 PHE 86 5.129 -5.999 -8.354 704 HZ PHE 86 HZ PHE 86 4.431 -6.218 -6.000 705 HA PRO 87 HA PRO 87 12.256 -4.177 -7.842 706 HB2 PRO 87 2HB PRO 87 11.456 -6.662 -6.460 707 HB3 PRO 87 3HB PRO 87 12.928 -5.701 -6.292 708 HG2 PRO 87 2HG PRO 87 11.058 -5.735 -4.368 709 HG3 PRO 87 3HG PRO 87 11.973 -4.263 -4.745 710 HD2 PRO 87 2HD PRO 87 9.187 -5.026 -5.578 711 HD3 PRO 87 3HD PRO 87 9.794 -3.468 -4.974 712 H ASP 88 H ASP 88 11.355 -4.157 -9.987 713 HA ASP 88 HA ASP 88 10.754 -6.898 -10.925 714 HB2 ASP 88 2HB ASP 88 9.595 -4.269 -11.826 715 HB3 ASP 88 3HB ASP 88 9.718 -5.607 -12.963 716 H LYS 89 H LYS 89 11.187 -6.680 -13.590 717 HA LYS 89 HA LYS 89 13.996 -5.815 -13.762 718 HB2 LYS 89 2HB LYS 89 14.051 -7.242 -15.853 719 HB3 LYS 89 3HB LYS 89 13.849 -8.102 -14.334 720 HG2 LYS 89 2HG LYS 89 11.476 -8.368 -14.762 721 HG3 LYS 89 3HG LYS 89 11.618 -7.428 -16.249 722 HD2 LYS 89 2HD LYS 89 11.567 -9.897 -16.615 723 HD3 LYS 89 3HD LYS 89 13.009 -9.112 -17.256 724 HE2 LYS 89 2HE LYS 89 13.565 -11.209 -16.124 725 HE3 LYS 89 3HE LYS 89 14.284 -9.826 -15.302 726 HZ1 LYS 89 3HZ LYS 89 12.518 -9.925 -13.658 727 HZ2 LYS 89 1HZ LYS 89 13.319 -11.407 -13.747 728 HZ3 LYS 89 2HZ LYS 89 11.803 -11.228 -14.459 729 H LEU 90 H LEU 90 14.545 -4.113 -14.892 730 HA LEU 90 HA LEU 90 13.241 -3.203 -17.266 731 HB2 LEU 90 2HB LEU 90 11.603 -2.466 -15.544 732 HB3 LEU 90 3HB LEU 90 12.871 -1.552 -14.754 733 HG LEU 90 HG LEU 90 13.080 -0.140 -16.801 734 HD11 LEU 90 1HD1 LEU 90 10.637 -1.655 -17.718 735 HD12 LEU 90 2HD1 LEU 90 12.241 -1.719 -18.448 736 HD13 LEU 90 3HD1 LEU 90 11.314 -0.221 -18.491 737 HD21 LEU 90 3HD2 LEU 90 11.025 1.139 -16.441 738 HD22 LEU 90 1HD2 LEU 90 11.728 0.608 -14.911 739 HD23 LEU 90 2HD2 LEU 90 10.321 -0.227 -15.573 740 H GLU 91 H GLU 91 14.394 -1.413 -18.245 741 HA GLU 91 HA GLU 91 17.006 -0.878 -16.972 742 HB2 GLU 91 2HB GLU 91 17.967 -0.754 -19.269 743 HB3 GLU 91 3HB GLU 91 17.376 -2.347 -18.832 744 HG2 GLU 91 2HG GLU 91 16.758 -1.981 -21.083 745 HG3 GLU 91 3HG GLU 91 15.286 -1.834 -20.128 746 H HIS 92 H HIS 92 18.126 1.052 -18.097 747 HA HIS 92 HA HIS 92 16.524 3.097 -19.251 748 HB2 HIS 92 2HB HIS 92 16.203 3.060 -16.551 749 HB3 HIS 92 3HB HIS 92 17.610 4.110 -16.671 750 HD1 HIS 92 HD1 HIS 92 13.986 4.109 -16.940 751 HD2 HIS 92 HD2 HIS 92 17.090 6.458 -18.381 752 HE1 HIS 92 HE1 HIS 92 12.918 6.259 -17.655 753 HE2 HIS 92 HE2 HIS 92 14.781 7.574 -18.711 754 H HIS 93 H HIS 93 18.337 2.551 -20.686 755 HA HIS 93 HA HIS 93 21.039 2.988 -19.982 756 HB2 HIS 93 2HB HIS 93 19.712 2.926 -22.698 757 HB3 HIS 93 3HB HIS 93 21.454 2.968 -22.452 758 HD1 HIS 93 HD1 HIS 93 18.569 0.678 -22.509 759 HD2 HIS 93 HD2 HIS 93 22.520 0.582 -21.226 760 HE1 HIS 93 HE1 HIS 93 19.129 -1.750 -22.241 761 HE2 HIS 93 HE2 HIS 93 21.458 -1.775 -21.300 762 H HIS 94 H HIS 94 18.683 5.119 -21.582 763 HA HIS 94 HA HIS 94 20.638 7.297 -21.632 764 HB2 HIS 94 2HB HIS 94 19.173 6.905 -23.602 765 HB3 HIS 94 3HB HIS 94 17.767 7.253 -22.603 766 HD1 HIS 94 HD1 HIS 94 17.225 9.701 -22.143 767 HD2 HIS 94 HD2 HIS 94 20.769 9.170 -24.245 768 HE1 HIS 94 HE1 HIS 94 17.882 11.987 -22.940 769 HE2 HIS 94 HE2 HIS 94 20.071 11.658 -24.131 770 H HIS 95 H HIS 95 20.857 8.524 -19.900 771 HA HIS 95 HA HIS 95 20.459 9.797 -18.076 772 HB2 HIS 95 2HB HIS 95 18.638 10.903 -19.172 773 HB3 HIS 95 3HB HIS 95 17.563 9.537 -18.900 774 HD1 HIS 95 HD1 HIS 95 19.558 11.980 -16.751 775 HD2 HIS 95 HD2 HIS 95 15.954 9.912 -16.761 776 HE1 HIS 95 HE1 HIS 95 18.371 12.690 -14.659 777 HE2 HIS 95 HE2 HIS 95 16.154 11.507 -14.731 778 H HIS 96 H HIS 96 21.277 8.436 -16.567 779 HA HIS 96 HA HIS 96 19.309 7.231 -14.784 780 HB2 HIS 96 2HB HIS 96 20.667 5.142 -14.545 781 HB3 HIS 96 3HB HIS 96 19.911 5.313 -16.122 782 HD1 HIS 96 HD1 HIS 96 23.268 5.343 -14.436 783 HD2 HIS 96 HD2 HIS 96 21.675 5.525 -18.274 784 HE1 HIS 96 HE1 HIS 96 25.208 5.016 -15.987 785 HE2 HIS 96 HE2 HIS 96 24.207 4.990 -18.291 786 H HIS 97 H HIS 97 20.147 6.842 -12.621 787 HA HIS 97 HA HIS 97 21.878 8.927 -11.770 788 HB2 HIS 97 2HB HIS 97 21.670 7.884 -9.495 789 HB3 HIS 97 3HB HIS 97 20.139 8.249 -10.275 790 HD1 HIS 97 HD1 HIS 97 22.281 5.375 -9.171 791 HD2 HIS 97 HD2 HIS 97 18.516 6.031 -10.795 792 HE1 HIS 97 HE1 HIS 97 21.062 3.195 -8.941 793 HE2 HIS 97 HE2 HIS 97 18.737 3.673 -9.760 Start of MODEL 19 1 H1 MET 1 1H MET 1 6.968 -20.530 -21.663 2 H2 MET 1 2H MET 1 7.575 -19.043 -21.131 3 H3 MET 1 3H MET 1 6.877 -19.170 -22.664 4 HA MET 1 HA MET 1 4.733 -19.574 -21.763 5 HB2 MET 1 2HB MET 1 6.170 -19.517 -19.101 6 HB3 MET 1 3HB MET 1 4.420 -19.396 -19.255 7 HG2 MET 1 2HG MET 1 5.120 -21.673 -18.732 8 HG3 MET 1 3HG MET 1 4.334 -21.581 -20.306 9 HE1 MET 1 3HE MET 1 7.592 -22.300 -18.330 10 HE2 MET 1 1HE MET 1 8.033 -20.768 -19.087 11 HE3 MET 1 2HE MET 1 8.836 -22.260 -19.579 12 H ASP 2 H ASP 2 4.046 -17.705 -22.609 13 HA ASP 2 HA ASP 2 5.305 -15.206 -22.195 14 HB2 ASP 2 2HB ASP 2 2.555 -15.775 -23.321 15 HB3 ASP 2 3HB ASP 2 3.467 -14.283 -23.522 16 H ARG 3 H ARG 3 4.590 -13.331 -21.165 17 HA ARG 3 HA ARG 3 2.427 -13.646 -19.178 18 HB2 ARG 3 2HB ARG 3 3.547 -11.884 -17.834 19 HB3 ARG 3 3HB ARG 3 4.509 -13.341 -18.002 20 HG2 ARG 3 2HG ARG 3 4.965 -11.026 -19.852 21 HG3 ARG 3 3HG ARG 3 5.632 -11.004 -18.220 22 HD2 ARG 3 2HD ARG 3 6.822 -13.096 -18.665 23 HD3 ARG 3 3HD ARG 3 6.130 -13.159 -20.285 24 HE ARG 3 HE ARG 3 7.367 -10.793 -20.329 25 HH11 ARG 3 1HH1 ARG 3 8.469 -13.895 -19.304 26 HH12 ARG 3 2HH1 ARG 3 10.118 -13.556 -19.681 27 HH21 ARG 3 1HH2 ARG 3 9.464 -10.379 -20.836 28 HH22 ARG 3 2HH2 ARG 3 10.679 -11.577 -20.557 29 H LYS 4 H LYS 4 3.860 -11.559 -21.626 30 HA LYS 4 HA LYS 4 2.119 -9.353 -21.323 31 HB2 LYS 4 2HB LYS 4 3.637 -10.324 -23.758 32 HB3 LYS 4 3HB LYS 4 2.810 -8.774 -23.658 33 HG2 LYS 4 2HG LYS 4 5.109 -9.657 -21.910 34 HG3 LYS 4 3HG LYS 4 5.211 -8.547 -23.280 35 HD2 LYS 4 2HD LYS 4 3.724 -6.976 -22.135 36 HD3 LYS 4 3HD LYS 4 3.582 -8.090 -20.772 37 HE2 LYS 4 2HE LYS 4 5.175 -6.355 -20.233 38 HE3 LYS 4 3HE LYS 4 6.019 -7.892 -20.401 39 HZ1 LYS 4 3HZ LYS 4 7.243 -6.155 -21.492 40 HZ2 LYS 4 1HZ LYS 4 5.902 -5.722 -22.421 41 HZ3 LYS 4 2HZ LYS 4 6.647 -7.217 -22.662 42 H LEU 5 H LEU 5 1.908 -12.243 -23.395 43 HA LEU 5 HA LEU 5 -0.546 -11.556 -24.630 44 HB2 LEU 5 2HB LEU 5 0.829 -14.202 -24.164 45 HB3 LEU 5 3HB LEU 5 -0.719 -14.099 -24.978 46 HG LEU 5 HG LEU 5 1.038 -14.275 -26.625 47 HD11 LEU 5 1HD1 LEU 5 -0.060 -11.469 -26.551 48 HD12 LEU 5 2HD1 LEU 5 -0.869 -12.889 -27.215 49 HD13 LEU 5 3HD1 LEU 5 0.608 -12.284 -27.966 50 HD21 LEU 5 3HD2 LEU 5 2.803 -12.611 -26.867 51 HD22 LEU 5 1HD2 LEU 5 2.902 -13.409 -25.296 52 HD23 LEU 5 2HD2 LEU 5 2.236 -11.779 -25.418 53 H LEU 6 H LEU 6 0.143 -13.663 -21.835 54 HA LEU 6 HA LEU 6 -2.674 -13.957 -21.216 55 HB2 LEU 6 2HB LEU 6 -0.221 -14.912 -19.728 56 HB3 LEU 6 3HB LEU 6 -1.874 -15.388 -19.384 57 HG LEU 6 HG LEU 6 -0.370 -15.999 -21.941 58 HD11 LEU 6 1HD1 LEU 6 0.490 -17.270 -20.046 59 HD12 LEU 6 2HD1 LEU 6 -0.389 -18.317 -21.159 60 HD13 LEU 6 3HD1 LEU 6 -1.142 -17.807 -19.646 61 HD21 LEU 6 3HD2 LEU 6 -2.776 -15.728 -22.313 62 HD22 LEU 6 1HD2 LEU 6 -3.110 -16.896 -21.033 63 HD23 LEU 6 2HD2 LEU 6 -2.280 -17.409 -22.503 64 H HIS 7 H HIS 7 -1.769 -11.257 -21.072 65 HA HIS 7 HA HIS 7 -1.090 -10.495 -18.404 66 HB2 HIS 7 2HB HIS 7 -1.323 -8.205 -19.185 67 HB3 HIS 7 3HB HIS 7 -0.471 -9.154 -20.399 68 HD1 HIS 7 HD1 HIS 7 -1.760 -9.648 -22.629 69 HD2 HIS 7 HD2 HIS 7 -3.778 -7.152 -19.992 70 HE1 HIS 7 HE1 HIS 7 -3.626 -8.634 -23.961 71 HE2 HIS 7 HE2 HIS 7 -4.916 -7.247 -22.312 72 H LEU 8 H LEU 8 -4.031 -11.493 -19.677 73 HA LEU 8 HA LEU 8 -5.794 -9.685 -18.349 74 HB2 LEU 8 2HB LEU 8 -6.478 -11.025 -20.303 75 HB3 LEU 8 3HB LEU 8 -6.319 -12.491 -19.353 76 HG LEU 8 HG LEU 8 -8.142 -11.721 -17.869 77 HD11 LEU 8 1HD1 LEU 8 -8.348 -9.405 -19.797 78 HD12 LEU 8 2HD1 LEU 8 -7.870 -9.320 -18.102 79 HD13 LEU 8 3HD1 LEU 8 -9.513 -9.791 -18.528 80 HD21 LEU 8 3HD2 LEU 8 -9.977 -12.047 -19.442 81 HD22 LEU 8 1HD2 LEU 8 -8.653 -13.158 -19.793 82 HD23 LEU 8 2HD2 LEU 8 -8.895 -11.727 -20.798 83 H LEU 9 H LEU 9 -5.380 -9.496 -16.188 84 HA LEU 9 HA LEU 9 -5.719 -11.927 -14.544 85 HB2 LEU 9 2HB LEU 9 -3.363 -10.997 -14.647 86 HB3 LEU 9 3HB LEU 9 -3.964 -9.563 -13.841 87 HG LEU 9 HG LEU 9 -4.223 -12.304 -12.595 88 HD11 LEU 9 1HD1 LEU 9 -2.180 -11.827 -11.328 89 HD12 LEU 9 2HD1 LEU 9 -1.930 -10.362 -12.276 90 HD13 LEU 9 3HD1 LEU 9 -1.854 -11.941 -13.057 91 HD21 LEU 9 3HD2 LEU 9 -4.217 -9.518 -11.422 92 HD22 LEU 9 1HD2 LEU 9 -4.347 -11.018 -10.502 93 HD23 LEU 9 2HD2 LEU 9 -5.625 -10.558 -11.624 94 H CYS 10 H CYS 10 -7.387 -11.839 -13.188 95 HA CYS 10 HA CYS 10 -8.198 -9.304 -11.980 96 HB2 CYS 10 2HB CYS 10 -10.577 -9.672 -12.562 97 HB3 CYS 10 3HB CYS 10 -9.578 -9.431 -13.996 98 HG CYS 10 HG CYS 10 -11.747 -11.552 -13.927 99 H SER 11 H SER 11 -9.033 -9.538 -9.932 100 HA SER 11 HA SER 11 -8.778 -12.108 -8.662 101 HB2 SER 11 2HB SER 11 -9.554 -10.879 -6.612 102 HB3 SER 11 3HB SER 11 -8.157 -10.140 -7.392 103 HG SER 11 HG SER 11 -10.854 -9.279 -7.395 104 HA PRO 12 HA PRO 12 -12.867 -13.847 -9.054 105 HB2 PRO 12 2HB PRO 12 -12.597 -14.258 -6.095 106 HB3 PRO 12 3HB PRO 12 -13.094 -15.402 -7.348 107 HG2 PRO 12 2HG PRO 12 -10.641 -15.524 -6.336 108 HG3 PRO 12 3HG PRO 12 -10.906 -15.756 -8.075 109 HD2 PRO 12 2HD PRO 12 -9.806 -13.386 -6.627 110 HD3 PRO 12 3HD PRO 12 -9.376 -14.036 -8.222 111 H ASP 13 H ASP 13 -14.905 -13.071 -8.933 112 HA ASP 13 HA ASP 13 -15.296 -10.412 -8.150 113 HB2 ASP 13 2HB ASP 13 -17.665 -10.813 -8.781 114 HB3 ASP 13 3HB ASP 13 -16.523 -11.383 -9.988 115 H THR 14 H THR 14 -16.479 -13.413 -6.582 116 HA THR 14 HA THR 14 -17.445 -11.784 -4.318 117 HB THR 14 HB THR 14 -18.646 -13.827 -3.583 118 HG1 THR 14 HG1 THR 14 -18.659 -15.645 -4.895 119 HG21 THR 14 3HG2 THR 14 -19.210 -12.985 -6.435 120 HG22 THR 14 1HG2 THR 14 -19.809 -12.194 -4.976 121 HG23 THR 14 2HG2 THR 14 -20.338 -13.830 -5.374 122 H ARG 15 H ARG 15 -15.200 -14.379 -5.115 123 HA ARG 15 HA ARG 15 -14.481 -14.641 -2.271 124 HB2 ARG 15 2HB ARG 15 -13.967 -16.461 -4.632 125 HB3 ARG 15 3HB ARG 15 -13.288 -16.728 -3.027 126 HG2 ARG 15 2HG ARG 15 -15.525 -16.901 -2.085 127 HG3 ARG 15 3HG ARG 15 -16.232 -16.574 -3.666 128 HD2 ARG 15 2HD ARG 15 -15.385 -18.639 -4.546 129 HD3 ARG 15 3HD ARG 15 -14.433 -18.927 -3.087 130 HE ARG 15 HE ARG 15 -16.390 -19.495 -1.932 131 HH11 ARG 15 1HH1 ARG 15 -17.064 -18.678 -5.217 132 HH12 ARG 15 2HH1 ARG 15 -18.653 -19.360 -5.165 133 HH21 ARG 15 1HH2 ARG 15 -18.432 -20.356 -1.895 134 HH22 ARG 15 2HH2 ARG 15 -19.414 -20.296 -3.323 135 H GLN 16 H GLN 16 -13.515 -12.412 -2.794 136 HA GLN 16 HA GLN 16 -11.091 -12.180 -4.227 137 HB2 GLN 16 2HB GLN 16 -12.166 -10.518 -1.935 138 HB3 GLN 16 3HB GLN 16 -10.830 -10.051 -2.981 139 HG2 GLN 16 2HG GLN 16 -12.295 -9.972 -4.897 140 HG3 GLN 16 3HG GLN 16 -13.639 -10.587 -3.938 141 HE21 GLN 16 1HE2 GLN 16 -12.980 -8.945 -1.618 142 HE22 GLN 16 2HE2 GLN 16 -13.457 -7.338 -2.028 143 HA PRO 17 HA PRO 17 -8.604 -14.218 -1.055 144 HB2 PRO 17 2HB PRO 17 -6.551 -14.916 -2.624 145 HB3 PRO 17 3HB PRO 17 -8.128 -15.700 -2.773 146 HG2 PRO 17 2HG PRO 17 -6.867 -13.633 -4.512 147 HG3 PRO 17 3HG PRO 17 -7.926 -14.981 -4.957 148 HD2 PRO 17 2HD PRO 17 -8.700 -12.289 -4.601 149 HD3 PRO 17 3HD PRO 17 -9.785 -13.686 -4.740 150 H LEU 18 H LEU 18 -7.682 -12.895 0.419 151 HA LEU 18 HA LEU 18 -5.613 -10.970 -0.437 152 HB2 LEU 18 2HB LEU 18 -7.292 -11.049 2.079 153 HB3 LEU 18 3HB LEU 18 -6.021 -9.878 1.772 154 HG LEU 18 HG LEU 18 -8.551 -10.172 0.133 155 HD11 LEU 18 1HD1 LEU 18 -9.223 -8.057 1.150 156 HD12 LEU 18 2HD1 LEU 18 -7.777 -8.073 2.160 157 HD13 LEU 18 3HD1 LEU 18 -9.015 -9.312 2.371 158 HD21 LEU 18 3HD2 LEU 18 -6.350 -8.103 0.022 159 HD22 LEU 18 1HD2 LEU 18 -7.847 -8.071 -0.915 160 HD23 LEU 18 2HD2 LEU 18 -6.663 -9.351 -1.186 161 H SER 19 H SER 19 -3.812 -10.647 1.132 162 HA SER 19 HA SER 19 -3.223 -12.870 2.934 163 HB2 SER 19 2HB SER 19 -1.388 -12.128 0.631 164 HB3 SER 19 3HB SER 19 -0.966 -13.225 1.943 165 HG SER 19 HG SER 19 -3.282 -14.030 0.909 166 H LEU 20 H LEU 20 -1.265 -12.421 4.275 167 HA LEU 20 HA LEU 20 -1.208 -9.632 5.046 168 HB2 LEU 20 2HB LEU 20 -1.167 -11.664 6.608 169 HB3 LEU 20 3HB LEU 20 0.511 -11.859 6.153 170 HG LEU 20 HG LEU 20 0.142 -10.707 8.346 171 HD11 LEU 20 1HD1 LEU 20 2.248 -10.420 7.148 172 HD12 LEU 20 2HD1 LEU 20 1.798 -8.958 8.024 173 HD13 LEU 20 3HD1 LEU 20 1.573 -9.041 6.279 174 HD21 LEU 20 3HD2 LEU 20 -1.862 -9.445 7.733 175 HD22 LEU 20 1HD2 LEU 20 -0.905 -8.449 6.636 176 HD23 LEU 20 2HD2 LEU 20 -0.603 -8.391 8.372 177 H LEU 21 H LEU 21 0.162 -8.163 4.211 178 HA LEU 21 HA LEU 21 2.186 -8.906 2.337 179 HB2 LEU 21 2HB LEU 21 0.873 -6.854 2.118 180 HB3 LEU 21 3HB LEU 21 1.573 -6.230 3.599 181 HG LEU 21 HG LEU 21 3.777 -6.099 2.539 182 HD11 LEU 21 1HD1 LEU 21 4.042 -6.552 0.139 183 HD12 LEU 21 2HD1 LEU 21 2.393 -7.178 0.080 184 HD13 LEU 21 3HD1 LEU 21 3.619 -8.007 1.042 185 HD21 LEU 21 3HD2 LEU 21 1.622 -4.844 0.829 186 HD22 LEU 21 1HD2 LEU 21 3.306 -4.325 0.934 187 HD23 LEU 21 2HD2 LEU 21 2.252 -4.186 2.340 188 H GLU 22 H GLU 22 4.162 -9.619 2.811 189 HA GLU 22 HA GLU 22 5.265 -9.567 5.401 190 HB2 GLU 22 2HB GLU 22 7.259 -10.533 4.451 191 HB3 GLU 22 3HB GLU 22 5.855 -11.269 3.699 192 HG2 GLU 22 2HG GLU 22 7.507 -9.076 2.455 193 HG3 GLU 22 3HG GLU 22 7.728 -10.794 2.144 194 H SER 23 H SER 23 6.958 -8.371 6.316 195 HA SER 23 HA SER 23 6.879 -5.625 5.899 196 HB2 SER 23 2HB SER 23 8.790 -5.466 7.423 197 HB3 SER 23 3HB SER 23 7.643 -6.673 7.998 198 HG SER 23 HG SER 23 9.953 -7.263 7.997 199 H LYS 24 H LYS 24 8.778 -7.956 4.211 200 HA LYS 24 HA LYS 24 10.796 -6.163 3.269 201 HB2 LYS 24 2HB LYS 24 9.952 -8.945 2.478 202 HB3 LYS 24 3HB LYS 24 11.165 -8.066 1.556 203 HG2 LYS 24 2HG LYS 24 12.171 -9.590 3.202 204 HG3 LYS 24 3HG LYS 24 12.596 -7.907 3.507 205 HD2 LYS 24 2HD LYS 24 10.782 -7.831 5.232 206 HD3 LYS 24 3HD LYS 24 10.536 -9.559 4.983 207 HE2 LYS 24 2HE LYS 24 13.153 -8.318 5.842 208 HE3 LYS 24 3HE LYS 24 11.959 -8.984 6.955 209 HZ1 LYS 24 3HZ LYS 24 13.747 -10.548 6.426 210 HZ2 LYS 24 1HZ LYS 24 13.298 -10.517 4.797 211 HZ3 LYS 24 2HZ LYS 24 12.235 -11.137 5.957 212 H GLY 25 H GLY 25 7.732 -7.369 1.893 213 HA2 GLY 25 2HA GLY 25 7.883 -5.660 -0.421 214 HA3 GLY 25 3HA GLY 25 6.455 -6.503 0.162 215 H LEU 26 H LEU 26 6.238 -5.531 2.694 216 HA LEU 26 HA LEU 26 4.724 -3.236 2.421 217 HB2 LEU 26 2HB LEU 26 4.587 -4.848 4.287 218 HB3 LEU 26 3HB LEU 26 6.104 -4.233 4.916 219 HG LEU 26 HG LEU 26 5.030 -2.013 5.259 220 HD11 LEU 26 1HD1 LEU 26 2.511 -3.462 4.435 221 HD12 LEU 26 2HD1 LEU 26 3.291 -2.137 3.569 222 HD13 LEU 26 3HD1 LEU 26 2.579 -1.855 5.157 223 HD21 LEU 26 3HD2 LEU 26 5.183 -3.610 7.094 224 HD22 LEU 26 1HD2 LEU 26 3.652 -4.337 6.608 225 HD23 LEU 26 2HD2 LEU 26 3.692 -2.676 7.200 226 H GLU 27 H GLU 27 8.146 -3.486 3.350 227 HA GLU 27 HA GLU 27 8.554 -0.825 4.115 228 HB2 GLU 27 2HB GLU 27 10.910 -1.179 3.733 229 HB3 GLU 27 3HB GLU 27 10.225 -2.649 4.413 230 HG2 GLU 27 2HG GLU 27 10.172 -3.651 2.174 231 HG3 GLU 27 3HG GLU 27 10.876 -2.180 1.504 232 H ALA 28 H ALA 28 8.594 -2.302 0.883 233 HA ALA 28 HA ALA 28 9.569 -0.130 -0.585 234 HB1 ALA 28 3HB ALA 28 7.550 -2.199 -1.460 235 HB2 ALA 28 1HB ALA 28 9.303 -2.372 -1.522 236 HB3 ALA 28 2HB ALA 28 8.501 -1.164 -2.528 237 H LEU 29 H LEU 29 6.271 -0.902 0.440 238 HA LEU 29 HA LEU 29 4.925 1.237 -0.785 239 HB2 LEU 29 2HB LEU 29 4.379 -0.299 1.757 240 HB3 LEU 29 3HB LEU 29 3.321 0.987 1.211 241 HG LEU 29 HG LEU 29 2.416 -1.181 0.588 242 HD11 LEU 29 1HD1 LEU 29 3.441 0.326 -1.819 243 HD12 LEU 29 2HD1 LEU 29 1.984 0.699 -0.898 244 HD13 LEU 29 3HD1 LEU 29 2.091 -0.809 -1.803 245 HD21 LEU 29 3HD2 LEU 29 4.971 -1.590 -0.972 246 HD22 LEU 29 1HD2 LEU 29 3.551 -2.637 -1.023 247 HD23 LEU 29 2HD2 LEU 29 4.473 -2.476 0.470 248 H ASN 30 H ASN 30 6.364 1.014 2.479 249 HA ASN 30 HA ASN 30 5.815 3.655 3.263 250 HB2 ASN 30 2HB ASN 30 7.958 1.729 4.166 251 HB3 ASN 30 3HB ASN 30 7.723 3.310 4.909 252 HD21 ASN 30 1HD2 ASN 30 6.470 0.107 4.562 253 HD22 ASN 30 2HD2 ASN 30 5.228 0.255 5.752 254 H LYS 31 H LYS 31 8.687 2.341 1.599 255 HA LYS 31 HA LYS 31 10.144 4.759 1.500 256 HB2 LYS 31 2HB LYS 31 10.198 2.236 -0.131 257 HB3 LYS 31 3HB LYS 31 11.114 3.632 -0.676 258 HG2 LYS 31 2HG LYS 31 12.547 2.153 0.579 259 HG3 LYS 31 3HG LYS 31 12.330 3.665 1.462 260 HD2 LYS 31 2HD LYS 31 10.589 2.539 2.847 261 HD3 LYS 31 3HD LYS 31 10.963 1.027 2.018 262 HE2 LYS 31 2HE LYS 31 12.114 1.111 4.147 263 HE3 LYS 31 3HE LYS 31 13.286 1.180 2.831 264 HZ1 LYS 31 3HZ LYS 31 13.761 2.775 4.607 265 HZ2 LYS 31 1HZ LYS 31 12.282 3.540 4.325 266 HZ3 LYS 31 2HZ LYS 31 13.480 3.544 3.131 267 H ALA 32 H ALA 32 7.672 3.414 -0.653 268 HA ALA 32 HA ALA 32 7.763 5.488 -2.593 269 HB1 ALA 32 3HB ALA 32 5.606 4.628 -3.339 270 HB2 ALA 32 1HB ALA 32 5.457 3.680 -1.856 271 HB3 ALA 32 2HB ALA 32 6.728 3.305 -3.020 272 H ILE 33 H ILE 33 6.055 5.100 0.456 273 HA ILE 33 HA ILE 33 4.384 7.375 0.336 274 HB ILE 33 HB ILE 33 5.599 5.909 2.689 275 HG12 ILE 33 2HG1 ILE 33 2.783 5.913 1.569 276 HG13 ILE 33 3HG1 ILE 33 3.975 4.644 1.310 277 HG21 ILE 33 1HG2 ILE 33 5.124 8.202 3.373 278 HG22 ILE 33 2HG2 ILE 33 4.005 7.070 4.132 279 HG23 ILE 33 3HG2 ILE 33 3.475 8.049 2.765 280 HD11 ILE 33 3HD1 ILE 33 3.987 4.179 3.714 281 HD12 ILE 33 1HD1 ILE 33 2.381 4.002 3.008 282 HD13 ILE 33 2HD1 ILE 33 2.774 5.439 3.954 283 H VAL 34 H VAL 34 7.633 6.947 1.777 284 HA VAL 34 HA VAL 34 8.034 9.636 2.536 285 HB VAL 34 HB VAL 34 10.116 7.567 1.764 286 HG11 VAL 34 1HG1 VAL 34 11.667 8.905 3.135 287 HG12 VAL 34 2HG1 VAL 34 10.413 10.126 3.349 288 HG13 VAL 34 3HG1 VAL 34 11.070 9.807 1.744 289 HG21 VAL 34 3HG2 VAL 34 8.662 6.799 3.575 290 HG22 VAL 34 1HG2 VAL 34 8.987 8.276 4.480 291 HG23 VAL 34 2HG2 VAL 34 10.288 7.126 4.170 292 H SER 35 H SER 35 8.736 7.894 -0.447 293 HA SER 35 HA SER 35 9.977 10.028 -1.853 294 HB2 SER 35 2HB SER 35 10.237 7.718 -2.585 295 HB3 SER 35 3HB SER 35 8.504 7.581 -2.874 296 HG SER 35 HG SER 35 10.226 9.405 -4.226 297 H GLY 36 H GLY 36 6.673 9.351 -1.089 298 HA2 GLY 36 2HA GLY 36 4.793 10.644 -1.394 299 HA3 GLY 36 3HA GLY 36 5.803 11.852 -2.168 300 H THR 37 H THR 37 5.310 8.471 -3.170 301 HA THR 37 HA THR 37 4.056 9.489 -5.656 302 HB THR 37 HB THR 37 6.246 8.559 -6.152 303 HG1 THR 37 HG1 THR 37 4.247 6.690 -6.990 304 HG21 THR 37 3HG2 THR 37 6.494 7.030 -4.260 305 HG22 THR 37 1HG2 THR 37 6.738 6.174 -5.783 306 HG23 THR 37 2HG2 THR 37 5.217 6.002 -4.908 307 H VAL 38 H VAL 38 3.339 7.809 -2.888 308 HA VAL 38 HA VAL 38 1.698 5.718 -3.982 309 HB VAL 38 HB VAL 38 1.676 6.893 -1.190 310 HG11 VAL 38 1HG1 VAL 38 -0.417 5.736 -1.690 311 HG12 VAL 38 2HG1 VAL 38 0.544 4.810 -0.537 312 HG13 VAL 38 3HG1 VAL 38 0.481 4.314 -2.229 313 HG21 VAL 38 3HG2 VAL 38 3.061 4.444 -2.289 314 HG22 VAL 38 1HG2 VAL 38 3.013 4.918 -0.591 315 HG23 VAL 38 2HG2 VAL 38 3.839 5.938 -1.768 316 H GLN 39 H GLN 39 0.160 6.508 -5.362 317 HA GLN 39 HA GLN 39 -1.557 8.713 -4.571 318 HB2 GLN 39 2HB GLN 39 -1.516 6.989 -7.058 319 HB3 GLN 39 3HB GLN 39 -2.615 8.339 -6.807 320 HG2 GLN 39 2HG GLN 39 -0.772 9.892 -6.735 321 HG3 GLN 39 3HG GLN 39 0.394 8.572 -6.817 322 HE21 GLN 39 1HE2 GLN 39 -0.006 10.873 -8.596 323 HE22 GLN 39 2HE2 GLN 39 -0.260 10.203 -10.168 324 H ARG 40 H ARG 40 -3.025 8.213 -3.053 325 HA ARG 40 HA ARG 40 -4.396 5.786 -2.704 326 HB2 ARG 40 2HB ARG 40 -4.240 7.672 -1.049 327 HB3 ARG 40 3HB ARG 40 -5.393 8.568 -2.025 328 HG2 ARG 40 2HG ARG 40 -6.626 7.627 -0.251 329 HG3 ARG 40 3HG ARG 40 -7.003 6.644 -1.668 330 HD2 ARG 40 2HD ARG 40 -6.638 5.198 0.229 331 HD3 ARG 40 3HD ARG 40 -5.313 4.990 -0.917 332 HE ARG 40 HE ARG 40 -4.672 6.934 1.052 333 HH11 ARG 40 1HH1 ARG 40 -4.918 3.524 0.576 334 HH12 ARG 40 2HH1 ARG 40 -3.825 3.168 1.858 335 HH21 ARG 40 1HH2 ARG 40 -3.260 6.456 2.669 336 HH22 ARG 40 2HH2 ARG 40 -2.864 4.811 3.005 337 H ALA 41 H ALA 41 -6.693 5.299 -3.171 338 HA ALA 41 HA ALA 41 -7.459 5.569 -5.810 339 HB1 ALA 41 3HB ALA 41 -9.685 4.833 -5.113 340 HB2 ALA 41 1HB ALA 41 -9.282 5.192 -3.433 341 HB3 ALA 41 2HB ALA 41 -8.420 3.916 -4.295 342 H ASP 42 H ASP 42 -8.165 7.744 -3.126 343 HA ASP 42 HA ASP 42 -10.078 9.390 -4.400 344 HB2 ASP 42 2HB ASP 42 -8.101 10.100 -2.220 345 HB3 ASP 42 3HB ASP 42 -9.556 11.011 -2.627 346 H GLY 43 H GLY 43 -6.932 8.970 -5.360 347 HA2 GLY 43 2HA GLY 43 -5.589 10.160 -6.825 348 HA3 GLY 43 3HA GLY 43 -6.836 11.396 -6.890 349 H SER 44 H SER 44 -5.412 10.322 -3.886 350 HA SER 44 HA SER 44 -4.003 12.913 -3.627 351 HB2 SER 44 2HB SER 44 -6.019 12.891 -2.226 352 HB3 SER 44 3HB SER 44 -5.497 11.386 -1.470 353 HG SER 44 HG SER 44 -3.917 12.451 -0.401 354 H ILE 45 H ILE 45 -1.970 12.894 -2.704 355 HA ILE 45 HA ILE 45 -0.551 10.402 -2.756 356 HB ILE 45 HB ILE 45 0.365 13.150 -1.868 357 HG12 ILE 45 2HG1 ILE 45 -0.322 13.066 -4.232 358 HG13 ILE 45 3HG1 ILE 45 1.416 13.289 -4.085 359 HG21 ILE 45 1HG2 ILE 45 2.647 12.297 -2.139 360 HG22 ILE 45 2HG2 ILE 45 2.010 10.691 -2.495 361 HG23 ILE 45 3HG2 ILE 45 1.769 11.402 -0.900 362 HD11 ILE 45 3HD1 ILE 45 1.778 10.940 -4.601 363 HD12 ILE 45 1HD1 ILE 45 0.839 11.730 -5.867 364 HD13 ILE 45 2HD1 ILE 45 0.034 10.684 -4.697 365 H GLN 46 H GLN 46 0.018 9.084 -1.107 366 HA GLN 46 HA GLN 46 -0.759 9.771 1.620 367 HB2 GLN 46 2HB GLN 46 -1.381 7.561 1.017 368 HB3 GLN 46 3HB GLN 46 0.199 7.218 0.327 369 HG2 GLN 46 2HG GLN 46 1.213 7.173 2.506 370 HG3 GLN 46 3HG GLN 46 -0.283 7.716 3.261 371 HE21 GLN 46 1HE2 GLN 46 -0.209 5.897 4.614 372 HE22 GLN 46 2HE2 GLN 46 -0.655 4.330 4.042 373 H ASN 47 H ASN 47 0.624 10.866 2.828 374 HA ASN 47 HA ASN 47 3.528 10.481 2.471 375 HB2 ASN 47 2HB ASN 47 2.087 12.766 3.845 376 HB3 ASN 47 3HB ASN 47 3.804 12.681 3.460 377 HD21 ASN 47 1HD2 ASN 47 4.455 12.897 1.304 378 HD22 ASN 47 2HD2 ASN 47 3.411 13.567 0.104 379 H GLN 48 H GLN 48 0.929 9.895 4.602 380 HA GLN 48 HA GLN 48 2.568 9.552 6.978 381 HB2 GLN 48 2HB GLN 48 -0.357 9.055 6.394 382 HB3 GLN 48 3HB GLN 48 0.387 8.677 7.942 383 HG2 GLN 48 2HG GLN 48 0.876 10.974 8.361 384 HG3 GLN 48 3HG GLN 48 0.432 11.428 6.719 385 HE21 GLN 48 1HE2 GLN 48 -1.717 11.636 6.188 386 HE22 GLN 48 2HE2 GLN 48 -2.975 11.669 7.370 387 H SER 49 H SER 49 3.484 7.709 7.620 388 HA SER 49 HA SER 49 3.662 5.518 5.792 389 HB2 SER 49 2HB SER 49 5.219 4.546 7.425 390 HB3 SER 49 3HB SER 49 5.578 6.249 7.148 391 HG SER 49 HG SER 49 4.847 6.757 9.116 392 H LEU 50 H LEU 50 3.536 3.201 6.596 393 HA LEU 50 HA LEU 50 1.314 2.759 8.459 394 HB2 LEU 50 2HB LEU 50 0.592 0.874 6.778 395 HB3 LEU 50 3HB LEU 50 0.033 2.521 6.582 396 HG LEU 50 HG LEU 50 1.851 2.866 4.880 397 HD11 LEU 50 1HD1 LEU 50 2.862 0.882 3.856 398 HD12 LEU 50 2HD1 LEU 50 2.178 -0.118 5.138 399 HD13 LEU 50 3HD1 LEU 50 3.381 1.112 5.525 400 HD21 LEU 50 3HD2 LEU 50 -0.166 0.695 4.300 401 HD22 LEU 50 1HD2 LEU 50 0.680 1.665 3.093 402 HD23 LEU 50 2HD2 LEU 50 -0.446 2.434 4.211 403 H HIS 51 H HIS 51 1.285 0.717 9.492 404 HA HIS 51 HA HIS 51 4.014 -0.365 9.718 405 HB2 HIS 51 2HB HIS 51 1.728 -0.481 11.702 406 HB3 HIS 51 3HB HIS 51 3.374 -1.042 11.989 407 HD1 HIS 51 HD1 HIS 51 5.055 0.671 12.765 408 HD2 HIS 51 HD2 HIS 51 1.493 2.382 11.479 409 HE1 HIS 51 HE1 HIS 51 5.205 3.095 13.397 410 HE2 HIS 51 HE2 HIS 51 3.148 4.140 12.403 411 H GLU 52 H GLU 52 0.902 -1.265 8.649 412 HA GLU 52 HA GLU 52 1.702 -3.989 8.171 413 HB2 GLU 52 2HB GLU 52 1.041 -4.026 10.575 414 HB3 GLU 52 3HB GLU 52 -0.566 -3.484 10.117 415 HG2 GLU 52 2HG GLU 52 -0.966 -5.532 8.915 416 HG3 GLU 52 3HG GLU 52 0.693 -6.062 9.189 417 H ALA 53 H ALA 53 0.513 -4.916 6.511 418 HA ALA 53 HA ALA 53 -1.938 -3.603 5.615 419 HB1 ALA 53 3HB ALA 53 -0.161 -2.252 4.623 420 HB2 ALA 53 1HB ALA 53 -1.079 -3.114 3.388 421 HB3 ALA 53 2HB ALA 53 0.519 -3.691 3.862 422 H LEU 54 H LEU 54 -2.993 -4.674 3.829 423 HA LEU 54 HA LEU 54 -2.433 -7.567 3.703 424 HB2 LEU 54 2HB LEU 54 -4.955 -6.017 3.088 425 HB3 LEU 54 3HB LEU 54 -4.783 -7.754 2.932 426 HG LEU 54 HG LEU 54 -4.503 -6.247 5.537 427 HD11 LEU 54 1HD1 LEU 54 -6.772 -6.044 4.715 428 HD12 LEU 54 2HD1 LEU 54 -6.720 -7.158 6.081 429 HD13 LEU 54 3HD1 LEU 54 -6.856 -7.786 4.437 430 HD21 LEU 54 3HD2 LEU 54 -3.286 -8.374 5.474 431 HD22 LEU 54 1HD2 LEU 54 -4.754 -9.205 4.961 432 HD23 LEU 54 2HD2 LEU 54 -4.672 -8.463 6.560 433 H ILE 55 H ILE 55 -1.641 -8.363 1.838 434 HA ILE 55 HA ILE 55 -1.817 -6.724 -0.595 435 HB ILE 55 HB ILE 55 0.446 -7.398 0.091 436 HG12 ILE 55 2HG1 ILE 55 1.173 -8.435 -2.064 437 HG13 ILE 55 3HG1 ILE 55 -0.516 -8.743 -2.452 438 HG21 ILE 55 1HG2 ILE 55 1.156 -9.745 -0.001 439 HG22 ILE 55 2HG2 ILE 55 -0.512 -10.238 -0.293 440 HG23 ILE 55 3HG2 ILE 55 -0.072 -9.477 1.237 441 HD11 ILE 55 3HD1 ILE 55 0.722 -6.028 -2.048 442 HD12 ILE 55 1HD1 ILE 55 -0.961 -6.354 -2.472 443 HD13 ILE 55 2HD1 ILE 55 0.331 -6.777 -3.595 444 H THR 56 H THR 56 -3.022 -7.374 -2.326 445 HA THR 56 HA THR 56 -4.757 -9.589 -2.268 446 HB THR 56 HB THR 56 -4.939 -9.273 -4.775 447 HG1 THR 56 HG1 THR 56 -3.162 -7.091 -4.279 448 HG21 THR 56 3HG2 THR 56 -6.422 -8.090 -3.231 449 HG22 THR 56 1HG2 THR 56 -6.023 -7.078 -4.620 450 HG23 THR 56 2HG2 THR 56 -5.233 -6.797 -3.067 451 H ARG 57 H ARG 57 -4.684 -11.619 -3.357 452 HA ARG 57 HA ARG 57 -2.344 -13.056 -2.957 453 HB2 ARG 57 2HB ARG 57 -4.668 -13.965 -3.121 454 HB3 ARG 57 3HB ARG 57 -4.561 -13.810 -4.868 455 HG2 ARG 57 2HG ARG 57 -2.773 -15.421 -4.957 456 HG3 ARG 57 3HG ARG 57 -2.693 -15.488 -3.197 457 HD2 ARG 57 2HD ARG 57 -5.070 -16.309 -3.212 458 HD3 ARG 57 3HD ARG 57 -4.950 -16.429 -4.969 459 HE ARG 57 HE ARG 57 -2.894 -17.921 -4.287 460 HH11 ARG 57 1HH1 ARG 57 -6.024 -17.827 -2.854 461 HH12 ARG 57 2HH1 ARG 57 -5.978 -19.483 -2.366 462 HH21 ARG 57 1HH2 ARG 57 -2.856 -20.068 -3.653 463 HH22 ARG 57 2HH2 ARG 57 -4.212 -20.725 -2.801 464 H ASP 58 H ASP 58 -3.403 -11.424 -5.886 465 HA ASP 58 HA ASP 58 -1.136 -12.498 -7.405 466 HB2 ASP 58 2HB ASP 58 -3.414 -10.725 -8.321 467 HB3 ASP 58 3HB ASP 58 -2.222 -11.506 -9.358 468 H ARG 59 H ARG 59 -1.384 -10.149 -5.268 469 HA ARG 59 HA ARG 59 -0.378 -8.187 -4.780 470 HB2 ARG 59 2HB ARG 59 1.623 -9.101 -6.858 471 HB3 ARG 59 3HB ARG 59 1.884 -7.810 -5.698 472 HG2 ARG 59 2HG ARG 59 2.958 -9.534 -4.642 473 HG3 ARG 59 3HG ARG 59 1.346 -9.696 -3.941 474 HD2 ARG 59 2HD ARG 59 2.221 -11.870 -4.621 475 HD3 ARG 59 3HD ARG 59 0.809 -11.436 -5.586 476 HE ARG 59 HE ARG 59 2.729 -10.579 -7.182 477 HH11 ARG 59 1HH1 ARG 59 2.495 -13.525 -5.427 478 HH12 ARG 59 2HH1 ARG 59 3.492 -14.400 -6.534 479 HH21 ARG 59 1HH2 ARG 59 4.017 -11.685 -8.599 480 HH22 ARG 59 2HH2 ARG 59 4.375 -13.348 -8.316 481 H LYS 60 H LYS 60 -2.486 -7.764 -6.478 482 HA LYS 60 HA LYS 60 -1.546 -5.733 -8.386 483 HB2 LYS 60 2HB LYS 60 -4.243 -7.025 -7.962 484 HB3 LYS 60 3HB LYS 60 -4.017 -5.640 -9.021 485 HG2 LYS 60 2HG LYS 60 -2.657 -8.318 -9.321 486 HG3 LYS 60 3HG LYS 60 -4.033 -7.742 -10.268 487 HD2 LYS 60 2HD LYS 60 -2.632 -5.852 -11.071 488 HD3 LYS 60 3HD LYS 60 -1.259 -6.536 -10.197 489 HE2 LYS 60 2HE LYS 60 -1.454 -8.592 -11.551 490 HE3 LYS 60 3HE LYS 60 -2.775 -7.850 -12.455 491 HZ1 LYS 60 3HZ LYS 60 -1.237 -6.111 -13.170 492 HZ2 LYS 60 1HZ LYS 60 -0.695 -7.643 -13.643 493 HZ3 LYS 60 2HZ LYS 60 0.024 -6.866 -12.325 494 H GLN 61 H GLN 61 -4.031 -5.964 -5.810 495 HA GLN 61 HA GLN 61 -3.646 -3.079 -5.316 496 HB2 GLN 61 2HB GLN 61 -6.053 -4.846 -4.861 497 HB3 GLN 61 3HB GLN 61 -5.887 -3.289 -4.071 498 HG2 GLN 61 2HG GLN 61 -7.244 -2.911 -5.942 499 HG3 GLN 61 3HG GLN 61 -5.662 -2.271 -6.368 500 HE21 GLN 61 1HE2 GLN 61 -7.981 -4.794 -6.949 501 HE22 GLN 61 2HE2 GLN 61 -7.273 -5.372 -8.413 502 H VAL 62 H VAL 62 -3.621 -2.320 -3.148 503 HA VAL 62 HA VAL 62 -2.914 -4.329 -1.092 504 HB VAL 62 HB VAL 62 -1.690 -1.563 -1.357 505 HG11 VAL 62 1HG1 VAL 62 -0.116 -2.360 0.372 506 HG12 VAL 62 2HG1 VAL 62 -1.040 -3.856 0.505 507 HG13 VAL 62 3HG1 VAL 62 -1.784 -2.319 0.946 508 HG21 VAL 62 3HG2 VAL 62 -0.922 -3.005 -3.177 509 HG22 VAL 62 1HG2 VAL 62 -0.453 -4.244 -2.011 510 HG23 VAL 62 2HG2 VAL 62 0.381 -2.688 -2.029 511 H PHE 63 H PHE 63 -3.944 -4.114 0.833 512 HA PHE 63 HA PHE 63 -5.526 -1.670 1.332 513 HB2 PHE 63 2HB PHE 63 -5.973 -4.496 2.339 514 HB3 PHE 63 3HB PHE 63 -6.921 -3.096 2.832 515 HD1 PHE 63 HD1 PHE 63 -8.424 -1.978 1.230 516 HD2 PHE 63 HD2 PHE 63 -6.322 -5.547 0.199 517 HE1 PHE 63 HE1 PHE 63 -9.927 -2.312 -0.689 518 HE2 PHE 63 HE2 PHE 63 -7.826 -5.878 -1.718 519 HZ PHE 63 HZ PHE 63 -9.628 -4.258 -2.167 520 H ARG 64 H ARG 64 -5.679 -1.002 3.635 521 HA ARG 64 HA ARG 64 -3.063 -1.425 4.945 522 HB2 ARG 64 2HB ARG 64 -3.437 0.862 4.143 523 HB3 ARG 64 3HB ARG 64 -4.923 0.964 5.079 524 HG2 ARG 64 2HG ARG 64 -3.627 0.751 7.155 525 HG3 ARG 64 3HG ARG 64 -2.138 0.659 6.213 526 HD2 ARG 64 2HD ARG 64 -2.613 2.913 5.302 527 HD3 ARG 64 3HD ARG 64 -4.052 2.999 6.319 528 HE ARG 64 HE ARG 64 -1.914 2.464 8.003 529 HH11 ARG 64 1HH1 ARG 64 -2.919 5.010 5.903 530 HH12 ARG 64 2HH1 ARG 64 -2.107 6.228 6.821 531 HH21 ARG 64 1HH2 ARG 64 -0.865 4.047 9.149 532 HH22 ARG 64 2HH2 ARG 64 -0.949 5.688 8.619 533 H ILE 65 H ILE 65 -2.997 -2.255 6.971 534 HA ILE 65 HA ILE 65 -5.515 -2.543 8.454 535 HB ILE 65 HB ILE 65 -2.790 -3.686 9.127 536 HG12 ILE 65 2HG1 ILE 65 -5.197 -4.980 7.804 537 HG13 ILE 65 3HG1 ILE 65 -3.635 -4.666 7.053 538 HG21 ILE 65 1HG2 ILE 65 -5.527 -4.233 10.292 539 HG22 ILE 65 2HG2 ILE 65 -4.191 -3.406 11.094 540 HG23 ILE 65 3HG2 ILE 65 -4.053 -5.118 10.694 541 HD11 ILE 65 3HD1 ILE 65 -4.147 -6.567 9.332 542 HD12 ILE 65 1HD1 ILE 65 -2.583 -6.259 8.574 543 HD13 ILE 65 2HD1 ILE 65 -3.884 -7.006 7.645 544 H GLU 66 H GLU 66 -6.023 -0.807 9.658 545 HA GLU 66 HA GLU 66 -3.884 0.856 10.774 546 HB2 GLU 66 2HB GLU 66 -5.698 1.945 9.505 547 HB3 GLU 66 3HB GLU 66 -6.870 1.340 10.668 548 HG2 GLU 66 2HG GLU 66 -6.265 3.711 11.012 549 HG3 GLU 66 3HG GLU 66 -5.938 2.690 12.411 550 H ASP 67 H ASP 67 -3.322 0.802 12.845 551 HA ASP 67 HA ASP 67 -3.166 0.193 15.018 552 HB2 ASP 67 2HB ASP 67 -5.255 1.574 15.191 553 HB3 ASP 67 3HB ASP 67 -6.197 0.099 14.996 554 H SER 68 H SER 68 -6.127 -1.620 14.354 555 HA SER 68 HA SER 68 -4.669 -4.145 14.149 556 HB2 SER 68 2HB SER 68 -5.021 -3.953 16.551 557 HB3 SER 68 3HB SER 68 -6.730 -3.594 16.309 558 HG SER 68 HG SER 68 -7.010 -5.662 16.438 559 H ILE 69 H ILE 69 -6.768 -2.202 12.800 560 HA ILE 69 HA ILE 69 -8.851 -4.196 12.179 561 HB ILE 69 HB ILE 69 -9.006 -1.208 11.714 562 HG12 ILE 69 2HG1 ILE 69 -8.789 -1.571 14.113 563 HG13 ILE 69 3HG1 ILE 69 -10.451 -1.130 13.740 564 HG21 ILE 69 1HG2 ILE 69 -10.502 -2.554 10.328 565 HG22 ILE 69 2HG2 ILE 69 -11.410 -1.614 11.508 566 HG23 ILE 69 3HG2 ILE 69 -11.150 -3.339 11.768 567 HD11 ILE 69 3HD1 ILE 69 -10.382 -2.883 15.391 568 HD12 ILE 69 1HD1 ILE 69 -9.429 -3.902 14.311 569 HD13 ILE 69 2HD1 ILE 69 -11.094 -3.489 13.897 570 HA PRO 70 HA PRO 70 -7.002 -4.194 8.024 571 HB2 PRO 70 2HB PRO 70 -8.715 -6.031 6.959 572 HB3 PRO 70 3HB PRO 70 -7.328 -6.473 7.962 573 HG2 PRO 70 2HG PRO 70 -10.214 -6.219 8.730 574 HG3 PRO 70 3HG PRO 70 -9.043 -7.475 9.175 575 HD2 PRO 70 2HD PRO 70 -9.705 -5.446 10.850 576 HD3 PRO 70 3HD PRO 70 -8.085 -6.171 10.828 577 H VAL 71 H VAL 71 -7.575 -2.129 7.339 578 HA VAL 71 HA VAL 71 -10.299 -1.351 6.881 579 HB VAL 71 HB VAL 71 -7.785 0.060 5.953 580 HG11 VAL 71 1HG1 VAL 71 -10.568 1.119 6.480 581 HG12 VAL 71 2HG1 VAL 71 -9.835 0.873 4.893 582 HG13 VAL 71 3HG1 VAL 71 -9.169 2.079 5.995 583 HG21 VAL 71 3HG2 VAL 71 -7.885 1.344 8.037 584 HG22 VAL 71 1HG2 VAL 71 -7.678 -0.377 8.370 585 HG23 VAL 71 2HG2 VAL 71 -9.261 0.379 8.579 586 H LEU 72 H LEU 72 -11.236 -2.655 5.336 587 HA LEU 72 HA LEU 72 -9.902 -3.107 2.775 588 HB2 LEU 72 2HB LEU 72 -12.539 -4.138 3.842 589 HB3 LEU 72 3HB LEU 72 -11.787 -4.639 2.337 590 HG LEU 72 HG LEU 72 -10.696 -5.115 5.122 591 HD11 LEU 72 1HD1 LEU 72 -12.613 -6.525 4.568 592 HD12 LEU 72 2HD1 LEU 72 -11.126 -7.467 4.656 593 HD13 LEU 72 3HD1 LEU 72 -11.811 -7.045 3.083 594 HD21 LEU 72 3HD2 LEU 72 -8.978 -6.477 3.975 595 HD22 LEU 72 1HD2 LEU 72 -8.860 -4.761 3.588 596 HD23 LEU 72 2HD2 LEU 72 -9.569 -5.880 2.423 597 H LEU 73 H LEU 73 -11.121 -0.437 3.601 598 HA LEU 73 HA LEU 73 -13.456 0.048 2.091 599 HB2 LEU 73 2HB LEU 73 -11.292 1.996 2.913 600 HB3 LEU 73 3HB LEU 73 -12.892 2.437 2.337 601 HG LEU 73 HG LEU 73 -12.254 0.981 4.913 602 HD11 LEU 73 1HD1 LEU 73 -11.721 3.363 4.975 603 HD12 LEU 73 2HD1 LEU 73 -13.113 2.996 5.994 604 HD13 LEU 73 3HD1 LEU 73 -13.350 3.753 4.419 605 HD21 LEU 73 3HD2 LEU 73 -14.927 1.800 3.772 606 HD22 LEU 73 1HD2 LEU 73 -14.655 1.157 5.393 607 HD23 LEU 73 2HD2 LEU 73 -14.339 0.150 3.982 608 HA PRO 74 HA PRO 74 -11.965 -0.064 -2.104 609 HB2 PRO 74 2HB PRO 74 -13.756 1.778 -3.175 610 HB3 PRO 74 3HB PRO 74 -14.086 0.063 -2.932 611 HG2 PRO 74 2HG PRO 74 -14.820 2.394 -1.202 612 HG3 PRO 74 3HG PRO 74 -15.780 0.962 -1.619 613 HD2 PRO 74 2HD PRO 74 -14.586 1.174 0.764 614 HD3 PRO 74 3HD PRO 74 -14.654 -0.389 -0.083 615 H GLU 75 H GLU 75 -12.364 2.995 -0.414 616 HA GLU 75 HA GLU 75 -10.806 4.557 -2.256 617 HB2 GLU 75 2HB GLU 75 -10.934 6.306 -0.523 618 HB3 GLU 75 3HB GLU 75 -12.512 5.610 -0.866 619 HG2 GLU 75 2HG GLU 75 -12.354 4.233 1.153 620 HG3 GLU 75 3HG GLU 75 -10.766 4.916 1.495 621 H GLU 76 H GLU 76 -10.117 2.659 0.597 622 HA GLU 76 HA GLU 76 -7.569 3.825 1.196 623 HB2 GLU 76 2HB GLU 76 -9.057 2.679 2.854 624 HB3 GLU 76 3HB GLU 76 -8.699 1.151 2.066 625 HG2 GLU 76 2HG GLU 76 -7.347 1.284 4.006 626 HG3 GLU 76 3HG GLU 76 -6.287 1.513 2.618 627 H ALA 77 H ALA 77 -8.632 1.503 -1.082 628 HA ALA 77 HA ALA 77 -6.469 -0.263 -1.239 629 HB1 ALA 77 3HB ALA 77 -7.320 -0.851 -3.442 630 HB2 ALA 77 1HB ALA 77 -8.315 0.606 -3.460 631 HB3 ALA 77 2HB ALA 77 -8.640 -0.670 -2.286 632 H ILE 78 H ILE 78 -4.492 -0.169 -2.077 633 HA ILE 78 HA ILE 78 -3.702 2.146 -3.744 634 HB ILE 78 HB ILE 78 -1.979 0.402 -1.953 635 HG12 ILE 78 2HG1 ILE 78 -3.413 1.949 -0.688 636 HG13 ILE 78 3HG1 ILE 78 -1.722 2.423 -0.575 637 HG21 ILE 78 1HG2 ILE 78 -0.162 1.983 -2.460 638 HG22 ILE 78 2HG2 ILE 78 -1.210 2.807 -3.616 639 HG23 ILE 78 3HG2 ILE 78 -0.724 1.137 -3.902 640 HD11 ILE 78 3HD1 ILE 78 -2.112 4.154 -2.268 641 HD12 ILE 78 1HD1 ILE 78 -3.141 4.359 -0.849 642 HD13 ILE 78 2HD1 ILE 78 -3.813 3.687 -2.336 643 H ALA 79 H ALA 79 -2.451 1.769 -5.627 644 HA ALA 79 HA ALA 79 -2.622 -0.967 -6.691 645 HB1 ALA 79 3HB ALA 79 -3.599 0.849 -8.027 646 HB2 ALA 79 1HB ALA 79 -2.288 0.034 -8.881 647 HB3 ALA 79 2HB ALA 79 -2.010 1.611 -8.142 648 H THR 80 H THR 80 -0.870 -2.254 -6.778 649 HA THR 80 HA THR 80 1.673 -1.508 -5.817 650 HB THR 80 HB THR 80 2.478 -3.674 -6.697 651 HG1 THR 80 HG1 THR 80 0.831 -4.988 -7.777 652 HG21 THR 80 3HG2 THR 80 0.956 -5.129 -5.440 653 HG22 THR 80 1HG2 THR 80 -0.254 -3.844 -5.411 654 HG23 THR 80 2HG2 THR 80 1.276 -3.634 -4.559 655 H ILE 81 H ILE 81 0.426 -1.667 -9.109 656 HA ILE 81 HA ILE 81 2.860 -1.421 -10.496 657 HB ILE 81 HB ILE 81 0.849 -2.152 -11.617 658 HG12 ILE 81 2HG1 ILE 81 1.790 0.475 -12.804 659 HG13 ILE 81 3HG1 ILE 81 2.645 -1.058 -12.945 660 HG21 ILE 81 1HG2 ILE 81 -0.216 0.648 -11.251 661 HG22 ILE 81 2HG2 ILE 81 -0.775 -0.790 -10.399 662 HG23 ILE 81 3HG2 ILE 81 -0.998 -0.659 -12.141 663 HD11 ILE 81 3HD1 ILE 81 -0.094 -0.456 -14.028 664 HD12 ILE 81 1HD1 ILE 81 0.750 -2.000 -14.155 665 HD13 ILE 81 2HD1 ILE 81 1.399 -0.570 -14.957 666 H GLN 82 H GLN 82 0.998 0.974 -8.794 667 HA GLN 82 HA GLN 82 2.428 3.210 -10.010 668 HB2 GLN 82 2HB GLN 82 0.180 2.943 -8.058 669 HB3 GLN 82 3HB GLN 82 1.119 4.426 -8.036 670 HG2 GLN 82 2HG GLN 82 -0.899 4.629 -9.404 671 HG3 GLN 82 3HG GLN 82 0.568 4.867 -10.347 672 HE21 GLN 82 1HE2 GLN 82 1.111 3.364 -11.920 673 HE22 GLN 82 2HE2 GLN 82 0.001 2.164 -12.475 674 H ILE 83 H ILE 83 3.324 0.961 -7.831 675 HA ILE 83 HA ILE 83 4.806 2.793 -6.069 676 HB ILE 83 HB ILE 83 4.537 -0.222 -5.897 677 HG12 ILE 83 2HG1 ILE 83 2.387 0.874 -5.496 678 HG13 ILE 83 3HG1 ILE 83 3.023 0.224 -3.989 679 HG21 ILE 83 1HG2 ILE 83 5.473 0.027 -3.638 680 HG22 ILE 83 2HG2 ILE 83 5.699 1.752 -3.924 681 HG23 ILE 83 3HG2 ILE 83 6.603 0.574 -4.876 682 HD11 ILE 83 3HD1 ILE 83 2.036 2.399 -3.641 683 HD12 ILE 83 1HD1 ILE 83 3.100 3.104 -4.856 684 HD13 ILE 83 2HD1 ILE 83 3.775 2.469 -3.356 685 H ALA 84 H ALA 84 6.584 3.491 -7.166 686 HA ALA 84 HA ALA 84 8.037 1.881 -9.039 687 HB1 ALA 84 3HB ALA 84 9.472 3.830 -9.292 688 HB2 ALA 84 1HB ALA 84 8.760 4.563 -7.853 689 HB3 ALA 84 2HB ALA 84 7.775 4.308 -9.294 690 H ASN 85 H ASN 85 8.054 1.455 -5.848 691 HA ASN 85 HA ASN 85 10.954 0.877 -5.718 692 HB2 ASN 85 2HB ASN 85 9.102 1.675 -3.455 693 HB3 ASN 85 3HB ASN 85 10.785 1.197 -3.256 694 HD21 ASN 85 1HD2 ASN 85 9.439 3.707 -2.609 695 HD22 ASN 85 2HD2 ASN 85 10.307 4.935 -3.452 696 H PHE 86 H PHE 86 8.268 -0.693 -6.322 697 HA PHE 86 HA PHE 86 7.961 -2.589 -4.251 698 HB2 PHE 86 2HB PHE 86 6.388 -1.918 -6.246 699 HB3 PHE 86 3HB PHE 86 7.226 -3.210 -7.097 700 HD1 PHE 86 HD1 PHE 86 5.312 -2.477 -4.012 701 HD2 PHE 86 HD2 PHE 86 6.540 -5.438 -6.813 702 HE1 PHE 86 HE1 PHE 86 3.804 -4.108 -2.943 703 HE2 PHE 86 HE2 PHE 86 5.042 -7.075 -5.749 704 HZ PHE 86 HZ PHE 86 3.671 -6.410 -3.812 705 HA PRO 87 HA PRO 87 11.506 -5.241 -4.924 706 HB2 PRO 87 2HB PRO 87 9.794 -7.360 -3.734 707 HB3 PRO 87 3HB PRO 87 11.379 -6.770 -3.222 708 HG2 PRO 87 2HG PRO 87 9.179 -6.143 -1.846 709 HG3 PRO 87 3HG PRO 87 10.484 -4.961 -2.074 710 HD2 PRO 87 2HD PRO 87 7.850 -5.177 -3.498 711 HD3 PRO 87 3HD PRO 87 8.695 -3.732 -2.907 712 H ASP 88 H ASP 88 12.154 -7.036 -6.200 713 HA ASP 88 HA ASP 88 10.409 -7.351 -8.499 714 HB2 ASP 88 2HB ASP 88 13.266 -8.260 -8.088 715 HB3 ASP 88 3HB ASP 88 12.389 -8.244 -9.617 716 H LYS 89 H LYS 89 8.863 -8.882 -8.110 717 HA LYS 89 HA LYS 89 9.870 -11.627 -8.257 718 HB2 LYS 89 2HB LYS 89 8.131 -12.515 -6.789 719 HB3 LYS 89 3HB LYS 89 9.154 -11.386 -5.918 720 HG2 LYS 89 2HG LYS 89 6.489 -10.583 -7.079 721 HG3 LYS 89 3HG LYS 89 6.654 -11.279 -5.468 722 HD2 LYS 89 2HD LYS 89 7.945 -8.732 -6.458 723 HD3 LYS 89 3HD LYS 89 6.575 -8.844 -5.351 724 HE2 LYS 89 2HE LYS 89 9.357 -9.899 -4.829 725 HE3 LYS 89 3HE LYS 89 8.679 -8.414 -4.163 726 HZ1 LYS 89 3HZ LYS 89 7.014 -9.721 -3.008 727 HZ2 LYS 89 1HZ LYS 89 8.562 -10.246 -2.584 728 HZ3 LYS 89 2HZ LYS 89 7.634 -11.152 -3.667 729 H LEU 90 H LEU 90 8.943 -12.756 -9.859 730 HA LEU 90 HA LEU 90 7.320 -11.341 -11.706 731 HB2 LEU 90 2HB LEU 90 7.353 -13.452 -13.025 732 HB3 LEU 90 3HB LEU 90 8.929 -12.841 -12.578 733 HG LEU 90 HG LEU 90 8.759 -14.567 -10.611 734 HD11 LEU 90 1HD1 LEU 90 7.501 -16.587 -11.191 735 HD12 LEU 90 2HD1 LEU 90 6.805 -15.755 -12.581 736 HD13 LEU 90 3HD1 LEU 90 6.438 -15.203 -10.946 737 HD21 LEU 90 3HD2 LEU 90 10.415 -14.678 -12.386 738 HD22 LEU 90 1HD2 LEU 90 9.235 -15.419 -13.469 739 HD23 LEU 90 2HD2 LEU 90 9.786 -16.288 -12.035 740 H GLU 91 H GLU 91 5.217 -11.581 -12.348 741 HA GLU 91 HA GLU 91 3.352 -12.576 -10.393 742 HB2 GLU 91 2HB GLU 91 2.885 -11.470 -13.176 743 HB3 GLU 91 3HB GLU 91 1.633 -11.768 -11.978 744 HG2 GLU 91 2HG GLU 91 2.463 -10.052 -10.555 745 HG3 GLU 91 3HG GLU 91 3.934 -9.885 -11.511 746 H HIS 92 H HIS 92 2.007 -14.354 -10.539 747 HA HIS 92 HA HIS 92 2.832 -16.425 -12.436 748 HB2 HIS 92 2HB HIS 92 1.038 -16.563 -9.998 749 HB3 HIS 92 3HB HIS 92 1.454 -17.938 -11.012 750 HD1 HIS 92 HD1 HIS 92 4.283 -15.656 -10.451 751 HD2 HIS 92 HD2 HIS 92 2.628 -18.977 -8.580 752 HE1 HIS 92 HE1 HIS 92 6.037 -16.475 -8.852 753 HE2 HIS 92 HE2 HIS 92 5.029 -18.499 -7.759 754 H HIS 93 H HIS 93 1.210 -17.679 -13.612 755 HA HIS 93 HA HIS 93 -0.670 -15.960 -14.900 756 HB2 HIS 93 2HB HIS 93 -0.274 -18.952 -15.154 757 HB3 HIS 93 3HB HIS 93 -1.270 -17.967 -16.226 758 HD1 HIS 93 HD1 HIS 93 2.053 -19.296 -15.925 759 HD2 HIS 93 HD2 HIS 93 0.386 -15.848 -17.535 760 HE1 HIS 93 HE1 HIS 93 3.795 -18.373 -17.476 761 HE2 HIS 93 HE2 HIS 93 2.705 -16.379 -18.553 762 H HIS 94 H HIS 94 -2.295 -15.274 -13.628 763 HA HIS 94 HA HIS 94 -3.634 -16.699 -11.640 764 HB2 HIS 94 2HB HIS 94 -3.652 -14.255 -11.835 765 HB3 HIS 94 3HB HIS 94 -4.617 -14.366 -13.298 766 HD1 HIS 94 HD1 HIS 94 -4.839 -14.561 -9.588 767 HD2 HIS 94 HD2 HIS 94 -7.346 -14.916 -12.878 768 HE1 HIS 94 HE1 HIS 94 -7.166 -14.471 -8.666 769 HE2 HIS 94 HE2 HIS 94 -8.633 -14.371 -10.706 770 H HIS 95 H HIS 95 -4.157 -18.758 -12.453 771 HA HIS 95 HA HIS 95 -5.912 -19.166 -14.671 772 HB2 HIS 95 2HB HIS 95 -4.276 -20.843 -13.914 773 HB3 HIS 95 3HB HIS 95 -5.133 -21.005 -12.389 774 HD1 HIS 95 HD1 HIS 95 -7.120 -22.582 -12.329 775 HD2 HIS 95 HD2 HIS 95 -5.644 -21.970 -16.168 776 HE1 HIS 95 HE1 HIS 95 -8.262 -24.284 -13.769 777 HE2 HIS 95 HE2 HIS 95 -7.261 -23.984 -16.056 778 H HIS 96 H HIS 96 -8.126 -19.515 -14.705 779 HA HIS 96 HA HIS 96 -9.716 -18.390 -12.663 780 HB2 HIS 96 2HB HIS 96 -11.660 -19.325 -13.945 781 HB3 HIS 96 3HB HIS 96 -10.552 -18.353 -14.901 782 HD1 HIS 96 HD1 HIS 96 -10.822 -19.355 -17.161 783 HD2 HIS 96 HD2 HIS 96 -10.217 -22.250 -14.241 784 HE1 HIS 96 HE1 HIS 96 -10.557 -21.518 -18.399 785 HE2 HIS 96 HE2 HIS 96 -10.441 -23.269 -16.604 786 H HIS 97 H HIS 97 -11.588 -19.539 -11.575 787 HA HIS 97 HA HIS 97 -10.564 -22.038 -10.377 788 HB2 HIS 97 2HB HIS 97 -11.764 -21.367 -8.301 789 HB3 HIS 97 3HB HIS 97 -10.497 -20.240 -8.768 790 HD1 HIS 97 HD1 HIS 97 -11.590 -18.091 -10.271 791 HD2 HIS 97 HD2 HIS 97 -14.038 -20.103 -7.587 792 HE1 HIS 97 HE1 HIS 97 -13.480 -16.517 -9.780 793 HE2 HIS 97 HE2 HIS 97 -15.021 -17.814 -8.274 Start of MODEL 20 1 H1 MET 1 1H MET 1 -14.431 -17.020 -23.624 2 H2 MET 1 2H MET 1 -14.235 -18.267 -22.495 3 H3 MET 1 3H MET 1 -13.574 -18.414 -24.037 4 HA MET 1 HA MET 1 -11.902 -17.894 -22.344 5 HB2 MET 1 2HB MET 1 -10.816 -16.081 -23.604 6 HB3 MET 1 3HB MET 1 -11.503 -17.293 -24.675 7 HG2 MET 1 2HG MET 1 -13.379 -15.857 -25.176 8 HG3 MET 1 3HG MET 1 -12.820 -14.665 -24.005 9 HE1 MET 1 3HE MET 1 -10.576 -13.250 -24.297 10 HE2 MET 1 1HE MET 1 -9.496 -13.405 -25.681 11 HE3 MET 1 2HE MET 1 -9.653 -14.734 -24.529 12 H ASP 2 H ASP 2 -14.406 -17.006 -21.092 13 HA ASP 2 HA ASP 2 -14.231 -14.176 -20.589 14 HB2 ASP 2 2HB ASP 2 -16.035 -16.216 -19.272 15 HB3 ASP 2 3HB ASP 2 -16.279 -14.471 -19.348 16 H ARG 3 H ARG 3 -11.869 -15.319 -19.647 17 HA ARG 3 HA ARG 3 -11.898 -15.993 -16.908 18 HB2 ARG 3 2HB ARG 3 -9.702 -14.896 -18.669 19 HB3 ARG 3 3HB ARG 3 -9.443 -15.261 -16.970 20 HG2 ARG 3 2HG ARG 3 -8.682 -17.173 -18.034 21 HG3 ARG 3 3HG ARG 3 -10.315 -17.616 -17.547 22 HD2 ARG 3 2HD ARG 3 -10.594 -18.271 -19.677 23 HD3 ARG 3 3HD ARG 3 -10.701 -16.560 -20.069 24 HE ARG 3 HE ARG 3 -8.318 -18.253 -20.365 25 HH11 ARG 3 1HH1 ARG 3 -10.004 -15.337 -21.096 26 HH12 ARG 3 2HH1 ARG 3 -8.855 -14.847 -22.284 27 HH21 ARG 3 1HH2 ARG 3 -6.884 -17.639 -21.924 28 HH22 ARG 3 2HH2 ARG 3 -7.121 -16.147 -22.774 29 H LYS 4 H LYS 4 -11.972 -12.939 -18.562 30 HA LYS 4 HA LYS 4 -11.334 -11.203 -16.449 31 HB2 LYS 4 2HB LYS 4 -13.215 -10.806 -18.787 32 HB3 LYS 4 3HB LYS 4 -12.668 -9.517 -17.721 33 HG2 LYS 4 2HG LYS 4 -10.371 -9.856 -18.437 34 HG3 LYS 4 3HG LYS 4 -10.862 -11.221 -19.442 35 HD2 LYS 4 2HD LYS 4 -10.548 -9.177 -20.777 36 HD3 LYS 4 3HD LYS 4 -12.220 -9.739 -20.830 37 HE2 LYS 4 2HE LYS 4 -12.163 -7.330 -20.576 38 HE3 LYS 4 3HE LYS 4 -12.810 -8.065 -19.110 39 HZ1 LYS 4 3HZ LYS 4 -10.619 -7.813 -18.089 40 HZ2 LYS 4 1HZ LYS 4 -11.251 -6.327 -18.580 41 HZ3 LYS 4 2HZ LYS 4 -10.041 -7.065 -19.493 42 H LEU 5 H LEU 5 -14.285 -12.960 -17.179 43 HA LEU 5 HA LEU 5 -15.781 -11.531 -15.109 44 HB2 LEU 5 2HB LEU 5 -16.608 -13.685 -17.060 45 HB3 LEU 5 3HB LEU 5 -17.678 -13.014 -15.845 46 HG LEU 5 HG LEU 5 -18.205 -11.960 -17.912 47 HD11 LEU 5 1HD1 LEU 5 -16.534 -10.051 -16.280 48 HD12 LEU 5 2HD1 LEU 5 -18.222 -10.475 -15.983 49 HD13 LEU 5 3HD1 LEU 5 -17.777 -9.604 -17.450 50 HD21 LEU 5 3HD2 LEU 5 -16.575 -10.764 -19.281 51 HD22 LEU 5 1HD2 LEU 5 -16.157 -12.471 -19.137 52 HD23 LEU 5 2HD2 LEU 5 -15.279 -11.266 -18.195 53 H LEU 6 H LEU 6 -14.228 -14.610 -15.662 54 HA LEU 6 HA LEU 6 -15.523 -16.096 -13.633 55 HB2 LEU 6 2HB LEU 6 -12.835 -16.499 -14.945 56 HB3 LEU 6 3HB LEU 6 -13.619 -17.677 -13.905 57 HG LEU 6 HG LEU 6 -14.700 -16.680 -16.552 58 HD11 LEU 6 1HD1 LEU 6 -14.231 -18.953 -17.349 59 HD12 LEU 6 2HD1 LEU 6 -13.465 -19.330 -15.805 60 HD13 LEU 6 3HD1 LEU 6 -12.764 -18.104 -16.863 61 HD21 LEU 6 3HD2 LEU 6 -16.374 -18.465 -16.281 62 HD22 LEU 6 1HD2 LEU 6 -16.507 -17.231 -15.029 63 HD23 LEU 6 2HD2 LEU 6 -15.756 -18.786 -14.660 64 H HIS 7 H HIS 7 -13.627 -13.459 -13.122 65 HA HIS 7 HA HIS 7 -12.042 -14.277 -10.919 66 HB2 HIS 7 2HB HIS 7 -11.778 -11.950 -10.393 67 HB3 HIS 7 3HB HIS 7 -11.765 -12.107 -12.145 68 HD1 HIS 7 HD1 HIS 7 -13.416 -10.339 -9.415 69 HD2 HIS 7 HD2 HIS 7 -14.271 -11.232 -13.374 70 HE1 HIS 7 HE1 HIS 7 -15.231 -8.746 -10.081 71 HE2 HIS 7 HE2 HIS 7 -15.590 -9.177 -12.529 72 H LEU 8 H LEU 8 -15.392 -14.068 -11.251 73 HA LEU 8 HA LEU 8 -15.982 -13.523 -8.452 74 HB2 LEU 8 2HB LEU 8 -17.775 -14.328 -10.754 75 HB3 LEU 8 3HB LEU 8 -18.338 -13.887 -9.151 76 HG LEU 8 HG LEU 8 -16.870 -12.050 -11.057 77 HD11 LEU 8 1HD1 LEU 8 -18.999 -10.891 -11.291 78 HD12 LEU 8 2HD1 LEU 8 -19.778 -12.077 -10.244 79 HD13 LEU 8 3HD1 LEU 8 -19.140 -12.568 -11.813 80 HD21 LEU 8 3HD2 LEU 8 -16.398 -11.518 -8.722 81 HD22 LEU 8 1HD2 LEU 8 -18.126 -11.486 -8.367 82 HD23 LEU 8 2HD2 LEU 8 -17.424 -10.283 -9.450 83 H LEU 9 H LEU 9 -14.611 -16.088 -9.726 84 HA LEU 9 HA LEU 9 -16.100 -18.345 -9.032 85 HB2 LEU 9 2HB LEU 9 -14.012 -18.390 -10.324 86 HB3 LEU 9 3HB LEU 9 -13.101 -17.898 -8.914 87 HG LEU 9 HG LEU 9 -14.658 -20.474 -8.833 88 HD11 LEU 9 1HD1 LEU 9 -11.912 -20.145 -10.060 89 HD12 LEU 9 2HD1 LEU 9 -13.391 -20.567 -10.928 90 HD13 LEU 9 3HD1 LEU 9 -12.727 -21.675 -9.727 91 HD21 LEU 9 3HD2 LEU 9 -13.632 -19.677 -6.761 92 HD22 LEU 9 1HD2 LEU 9 -12.064 -19.564 -7.562 93 HD23 LEU 9 2HD2 LEU 9 -12.825 -21.138 -7.327 94 H CYS 10 H CYS 10 -16.786 -19.140 -7.101 95 HA CYS 10 HA CYS 10 -16.120 -17.683 -4.693 96 HB2 CYS 10 2HB CYS 10 -17.779 -19.123 -3.598 97 HB3 CYS 10 3HB CYS 10 -18.422 -18.440 -5.085 98 HG CYS 10 HG CYS 10 -17.131 -21.262 -5.959 99 H SER 11 H SER 11 -14.713 -18.236 -3.149 100 HA SER 11 HA SER 11 -13.521 -20.937 -3.186 101 HB2 SER 11 2HB SER 11 -11.327 -19.911 -2.687 102 HB3 SER 11 3HB SER 11 -11.966 -19.351 -4.231 103 HG SER 11 HG SER 11 -11.198 -17.881 -2.191 104 HA PRO 12 HA PRO 12 -13.977 -20.838 1.325 105 HB2 PRO 12 2HB PRO 12 -11.495 -22.444 1.432 106 HB3 PRO 12 3HB PRO 12 -13.117 -22.853 2.000 107 HG2 PRO 12 2HG PRO 12 -12.055 -24.028 -0.172 108 HG3 PRO 12 3HG PRO 12 -13.786 -23.651 -0.074 109 HD2 PRO 12 2HD PRO 12 -11.600 -22.168 -1.502 110 HD3 PRO 12 3HD PRO 12 -13.248 -22.547 -2.052 111 H ASP 13 H ASP 13 -12.729 -20.080 3.230 112 HA ASP 13 HA ASP 13 -11.303 -17.715 2.683 113 HB2 ASP 13 2HB ASP 13 -11.473 -19.309 5.253 114 HB3 ASP 13 3HB ASP 13 -10.813 -17.680 5.131 115 H THR 14 H THR 14 -10.196 -20.946 2.795 116 HA THR 14 HA THR 14 -7.520 -20.668 3.604 117 HB THR 14 HB THR 14 -7.079 -22.732 2.312 118 HG1 THR 14 HG1 THR 14 -8.722 -23.601 1.026 119 HG21 THR 14 3HG2 THR 14 -9.710 -22.774 3.807 120 HG22 THR 14 1HG2 THR 14 -8.104 -22.932 4.525 121 HG23 THR 14 2HG2 THR 14 -8.713 -24.183 3.440 122 H ARG 15 H ARG 15 -9.043 -20.036 0.476 123 HA ARG 15 HA ARG 15 -6.531 -18.774 -0.382 124 HB2 ARG 15 2HB ARG 15 -6.891 -19.610 -2.711 125 HB3 ARG 15 3HB ARG 15 -6.472 -20.855 -1.547 126 HG2 ARG 15 2HG ARG 15 -8.780 -21.597 -1.457 127 HG3 ARG 15 3HG ARG 15 -9.266 -20.291 -2.543 128 HD2 ARG 15 2HD ARG 15 -7.815 -21.221 -4.298 129 HD3 ARG 15 3HD ARG 15 -7.347 -22.530 -3.216 130 HE ARG 15 HE ARG 15 -9.856 -23.051 -3.247 131 HH11 ARG 15 1HH1 ARG 15 -8.103 -21.740 -5.907 132 HH12 ARG 15 2HH1 ARG 15 -9.134 -22.463 -7.090 133 HH21 ARG 15 1HH2 ARG 15 -11.170 -23.998 -4.784 134 HH22 ARG 15 2HH2 ARG 15 -10.853 -23.721 -6.461 135 H GLN 16 H GLN 16 -7.028 -16.699 -0.411 136 HA GLN 16 HA GLN 16 -9.491 -15.823 -1.790 137 HB2 GLN 16 2HB GLN 16 -8.326 -14.791 0.806 138 HB3 GLN 16 3HB GLN 16 -9.567 -13.938 -0.102 139 HG2 GLN 16 2HG GLN 16 -11.083 -15.841 0.178 140 HG3 GLN 16 3HG GLN 16 -9.837 -16.700 1.084 141 HE21 GLN 16 1HE2 GLN 16 -9.368 -16.059 3.183 142 HE22 GLN 16 2HE2 GLN 16 -10.385 -14.982 4.073 143 HA PRO 17 HA PRO 17 -6.912 -12.912 -3.989 144 HB2 PRO 17 2HB PRO 17 -8.498 -10.721 -4.212 145 HB3 PRO 17 3HB PRO 17 -8.797 -12.214 -5.112 146 HG2 PRO 17 2HG PRO 17 -10.078 -11.248 -2.575 147 HG3 PRO 17 3HG PRO 17 -10.842 -11.960 -4.010 148 HD2 PRO 17 2HD PRO 17 -10.340 -13.399 -1.772 149 HD3 PRO 17 3HD PRO 17 -10.274 -14.118 -3.395 150 H LEU 18 H LEU 18 -7.226 -12.698 -0.793 151 HA LEU 18 HA LEU 18 -5.573 -10.276 -0.580 152 HB2 LEU 18 2HB LEU 18 -7.966 -10.955 1.136 153 HB3 LEU 18 3HB LEU 18 -6.759 -9.772 1.602 154 HG LEU 18 HG LEU 18 -8.508 -9.597 -0.860 155 HD11 LEU 18 1HD1 LEU 18 -9.780 -9.296 1.208 156 HD12 LEU 18 2HD1 LEU 18 -9.650 -7.788 0.302 157 HD13 LEU 18 3HD1 LEU 18 -8.645 -8.049 1.729 158 HD21 LEU 18 3HD2 LEU 18 -6.522 -7.638 0.303 159 HD22 LEU 18 1HD2 LEU 18 -7.616 -7.311 -1.042 160 HD23 LEU 18 2HD2 LEU 18 -6.353 -8.530 -1.209 161 H SER 19 H SER 19 -4.033 -10.285 1.056 162 HA SER 19 HA SER 19 -3.889 -12.483 2.963 163 HB2 SER 19 2HB SER 19 -1.709 -12.049 0.893 164 HB3 SER 19 3HB SER 19 -1.564 -13.098 2.301 165 HG SER 19 HG SER 19 -3.793 -13.770 1.016 166 H LEU 20 H LEU 20 -2.067 -12.159 4.533 167 HA LEU 20 HA LEU 20 -1.825 -9.439 5.347 168 HB2 LEU 20 2HB LEU 20 -1.715 -11.639 6.734 169 HB3 LEU 20 3HB LEU 20 -0.022 -11.665 6.288 170 HG LEU 20 HG LEU 20 -0.403 -10.748 8.548 171 HD11 LEU 20 1HD1 LEU 20 0.952 -8.736 8.359 172 HD12 LEU 20 2HD1 LEU 20 0.660 -8.685 6.621 173 HD13 LEU 20 3HD1 LEU 20 1.570 -10.023 7.325 174 HD21 LEU 20 3HD2 LEU 20 -2.601 -9.749 8.157 175 HD22 LEU 20 1HD2 LEU 20 -1.862 -8.504 7.148 176 HD23 LEU 20 2HD2 LEU 20 -1.478 -8.591 8.869 177 H LEU 21 H LEU 21 -0.272 -7.926 4.844 178 HA LEU 21 HA LEU 21 1.510 -8.452 2.676 179 HB2 LEU 21 2HB LEU 21 0.503 -6.263 2.942 180 HB3 LEU 21 3HB LEU 21 1.290 -6.048 4.495 181 HG LEU 21 HG LEU 21 3.489 -5.989 3.387 182 HD11 LEU 21 1HD1 LEU 21 1.937 -6.182 0.804 183 HD12 LEU 21 2HD1 LEU 21 2.977 -7.437 1.481 184 HD13 LEU 21 3HD1 LEU 21 3.671 -5.903 0.962 185 HD21 LEU 21 3HD2 LEU 21 3.238 -3.825 2.272 186 HD22 LEU 21 1HD2 LEU 21 2.281 -3.897 3.754 187 HD23 LEU 21 2HD2 LEU 21 1.493 -4.066 2.184 188 H GLU 22 H GLU 22 3.467 -9.277 2.715 189 HA GLU 22 HA GLU 22 4.838 -9.962 5.102 190 HB2 GLU 22 2HB GLU 22 6.640 -10.707 3.564 191 HB3 GLU 22 3HB GLU 22 5.056 -11.322 3.111 192 HG2 GLU 22 2HG GLU 22 4.917 -9.439 1.440 193 HG3 GLU 22 3HG GLU 22 6.606 -9.093 1.805 194 H SER 23 H SER 23 6.565 -9.051 6.131 195 HA SER 23 HA SER 23 6.973 -6.314 6.140 196 HB2 SER 23 2HB SER 23 9.048 -6.777 7.428 197 HB3 SER 23 3HB SER 23 7.676 -7.729 7.995 198 HG SER 23 HG SER 23 9.035 -9.324 7.751 199 H LYS 24 H LYS 24 8.671 -8.748 4.246 200 HA LYS 24 HA LYS 24 10.809 -7.304 3.240 201 HB2 LYS 24 2HB LYS 24 10.396 -9.723 2.850 202 HB3 LYS 24 3HB LYS 24 9.092 -9.310 1.749 203 HG2 LYS 24 2HG LYS 24 11.078 -9.910 0.506 204 HG3 LYS 24 3HG LYS 24 10.703 -8.203 0.261 205 HD2 LYS 24 2HD LYS 24 13.100 -8.525 0.586 206 HD3 LYS 24 3HD LYS 24 12.413 -7.590 1.913 207 HE2 LYS 24 2HE LYS 24 12.330 -9.653 3.282 208 HE3 LYS 24 3HE LYS 24 13.090 -10.538 1.960 209 HZ1 LYS 24 3HZ LYS 24 15.031 -9.142 2.167 210 HZ2 LYS 24 1HZ LYS 24 14.680 -9.850 3.661 211 HZ3 LYS 24 2HZ LYS 24 14.298 -8.226 3.379 212 H GLY 25 H GLY 25 7.539 -7.559 1.796 213 HA2 GLY 25 2HA GLY 25 8.064 -5.561 -0.207 214 HA3 GLY 25 3HA GLY 25 6.504 -6.278 0.166 215 H LEU 26 H LEU 26 6.832 -5.495 3.043 216 HA LEU 26 HA LEU 26 5.188 -3.265 3.043 217 HB2 LEU 26 2HB LEU 26 5.419 -4.793 4.936 218 HB3 LEU 26 3HB LEU 26 7.055 -4.230 5.214 219 HG LEU 26 HG LEU 26 6.158 -1.977 5.769 220 HD11 LEU 26 1HD1 LEU 26 3.771 -1.697 6.184 221 HD12 LEU 26 2HD1 LEU 26 3.461 -3.319 5.564 222 HD13 LEU 26 3HD1 LEU 26 4.084 -2.065 4.489 223 HD21 LEU 26 3HD2 LEU 26 6.650 -3.576 7.537 224 HD22 LEU 26 1HD2 LEU 26 5.028 -4.255 7.399 225 HD23 LEU 26 2HD2 LEU 26 5.247 -2.596 7.959 226 H GLU 27 H GLU 27 8.745 -3.332 3.421 227 HA GLU 27 HA GLU 27 9.074 -0.599 3.992 228 HB2 GLU 27 2HB GLU 27 11.398 -0.851 3.385 229 HB3 GLU 27 3HB GLU 27 10.876 -2.285 4.257 230 HG2 GLU 27 2HG GLU 27 10.819 -3.588 2.280 231 HG3 GLU 27 3HG GLU 27 10.974 -2.164 1.252 232 H ALA 28 H ALA 28 8.718 -2.270 0.904 233 HA ALA 28 HA ALA 28 9.508 -0.210 -0.823 234 HB1 ALA 28 3HB ALA 28 9.110 -2.543 -1.527 235 HB2 ALA 28 1HB ALA 28 8.273 -1.375 -2.549 236 HB3 ALA 28 2HB ALA 28 7.375 -2.284 -1.335 237 H LEU 29 H LEU 29 6.349 -0.899 0.636 238 HA LEU 29 HA LEU 29 4.919 1.221 -0.579 239 HB2 LEU 29 2HB LEU 29 4.510 -0.261 2.021 240 HB3 LEU 29 3HB LEU 29 3.420 1.001 1.489 241 HG LEU 29 HG LEU 29 2.473 -1.156 0.975 242 HD11 LEU 29 1HD1 LEU 29 3.440 0.184 -1.546 243 HD12 LEU 29 2HD1 LEU 29 2.033 0.657 -0.594 244 HD13 LEU 29 3HD1 LEU 29 2.062 -0.906 -1.407 245 HD21 LEU 29 3HD2 LEU 29 3.527 -2.726 -0.574 246 HD22 LEU 29 1HD2 LEU 29 4.511 -2.486 0.871 247 HD23 LEU 29 2HD2 LEU 29 4.962 -1.701 -0.643 248 H ASN 30 H ASN 30 6.487 1.019 2.624 249 HA ASN 30 HA ASN 30 5.901 3.609 3.496 250 HB2 ASN 30 2HB ASN 30 8.134 1.709 4.203 251 HB3 ASN 30 3HB ASN 30 7.979 3.284 4.977 252 HD21 ASN 30 1HD2 ASN 30 6.471 0.167 4.522 253 HD22 ASN 30 2HD2 ASN 30 5.397 0.287 5.869 254 H LYS 31 H LYS 31 8.828 2.481 1.779 255 HA LYS 31 HA LYS 31 10.138 4.979 1.729 256 HB2 LYS 31 2HB LYS 31 10.369 2.616 -0.155 257 HB3 LYS 31 3HB LYS 31 11.465 3.998 -0.155 258 HG2 LYS 31 2HG LYS 31 12.080 3.475 2.179 259 HG3 LYS 31 3HG LYS 31 11.032 2.059 2.118 260 HD2 LYS 31 2HD LYS 31 13.427 2.548 0.337 261 HD3 LYS 31 3HD LYS 31 13.402 1.492 1.750 262 HE2 LYS 31 2HE LYS 31 11.683 0.103 0.669 263 HE3 LYS 31 3HE LYS 31 11.732 1.151 -0.748 264 HZ1 LYS 31 3HZ LYS 31 14.095 0.567 -0.998 265 HZ2 LYS 31 1HZ LYS 31 13.075 -0.775 -1.134 266 HZ3 LYS 31 2HZ LYS 31 13.951 -0.525 0.287 267 H ALA 32 H ALA 32 7.925 3.456 -0.610 268 HA ALA 32 HA ALA 32 7.992 5.507 -2.544 269 HB1 ALA 32 3HB ALA 32 5.882 4.563 -3.354 270 HB2 ALA 32 1HB ALA 32 5.741 3.607 -1.878 271 HB3 ALA 32 2HB ALA 32 7.064 3.299 -3.005 272 H ILE 33 H ILE 33 6.075 5.112 0.392 273 HA ILE 33 HA ILE 33 4.379 7.355 0.090 274 HB ILE 33 HB ILE 33 5.391 5.947 2.572 275 HG12 ILE 33 2HG1 ILE 33 2.690 5.903 1.189 276 HG13 ILE 33 3HG1 ILE 33 3.911 4.642 1.071 277 HG21 ILE 33 1HG2 ILE 33 3.275 8.093 2.396 278 HG22 ILE 33 2HG2 ILE 33 4.845 8.235 3.184 279 HG23 ILE 33 3HG2 ILE 33 3.636 7.125 3.827 280 HD11 ILE 33 3HD1 ILE 33 2.148 4.034 2.624 281 HD12 ILE 33 1HD1 ILE 33 2.472 5.478 3.580 282 HD13 ILE 33 2HD1 ILE 33 3.689 4.208 3.463 283 H VAL 34 H VAL 34 7.540 6.997 1.695 284 HA VAL 34 HA VAL 34 7.878 9.672 2.501 285 HB VAL 34 HB VAL 34 9.990 7.642 1.712 286 HG11 VAL 34 1HG1 VAL 34 11.548 8.978 3.029 287 HG12 VAL 34 2HG1 VAL 34 10.284 10.166 3.345 288 HG13 VAL 34 3HG1 VAL 34 10.879 9.927 1.702 289 HG21 VAL 34 3HG2 VAL 34 8.865 8.342 4.431 290 HG22 VAL 34 1HG2 VAL 34 10.174 7.200 4.116 291 HG23 VAL 34 2HG2 VAL 34 8.547 6.860 3.530 292 H SER 35 H SER 35 8.548 8.038 -0.544 293 HA SER 35 HA SER 35 9.765 10.263 -1.857 294 HB2 SER 35 2HB SER 35 10.099 7.961 -2.638 295 HB3 SER 35 3HB SER 35 8.384 7.834 -3.026 296 HG SER 35 HG SER 35 9.429 10.029 -4.197 297 H GLY 36 H GLY 36 6.484 9.379 -1.204 298 HA2 GLY 36 2HA GLY 36 4.553 10.613 -1.516 299 HA3 GLY 36 3HA GLY 36 5.500 11.836 -2.341 300 H THR 37 H THR 37 5.710 8.557 -3.463 301 HA THR 37 HA THR 37 4.277 9.330 -5.918 302 HB THR 37 HB THR 37 6.569 8.450 -6.209 303 HG1 THR 37 HG1 THR 37 4.464 6.802 -7.233 304 HG21 THR 37 3HG2 THR 37 7.047 6.079 -5.815 305 HG22 THR 37 1HG2 THR 37 5.442 5.862 -5.112 306 HG23 THR 37 2HG2 THR 37 6.629 6.893 -4.309 307 H VAL 38 H VAL 38 3.337 8.103 -3.146 308 HA VAL 38 HA VAL 38 1.739 5.867 -4.174 309 HB VAL 38 HB VAL 38 2.133 6.905 -1.352 310 HG11 VAL 38 1HG1 VAL 38 0.513 4.528 -2.287 311 HG12 VAL 38 2HG1 VAL 38 -0.130 6.017 -1.593 312 HG13 VAL 38 3HG1 VAL 38 0.857 4.942 -0.605 313 HG21 VAL 38 3HG2 VAL 38 3.056 4.359 -2.695 314 HG22 VAL 38 1HG2 VAL 38 3.296 4.773 -0.996 315 HG23 VAL 38 2HG2 VAL 38 4.070 5.735 -2.256 316 H GLN 39 H GLN 39 -0.195 6.349 -5.019 317 HA GLN 39 HA GLN 39 -1.762 8.555 -3.848 318 HB2 GLN 39 2HB GLN 39 -2.111 7.120 -6.490 319 HB3 GLN 39 3HB GLN 39 -3.182 8.374 -5.883 320 HG2 GLN 39 2HG GLN 39 -1.268 9.945 -5.894 321 HG3 GLN 39 3HG GLN 39 -0.282 8.682 -6.631 322 HE21 GLN 39 1HE2 GLN 39 -1.039 11.299 -7.680 323 HE22 GLN 39 2HE2 GLN 39 -1.838 10.985 -9.177 324 H ARG 40 H ARG 40 -3.702 8.191 -2.923 325 HA ARG 40 HA ARG 40 -4.652 5.616 -2.221 326 HB2 ARG 40 2HB ARG 40 -6.279 8.170 -2.421 327 HB3 ARG 40 3HB ARG 40 -6.608 6.780 -1.395 328 HG2 ARG 40 2HG ARG 40 -4.131 8.468 -1.095 329 HG3 ARG 40 3HG ARG 40 -5.643 8.833 -0.263 330 HD2 ARG 40 2HD ARG 40 -4.267 6.158 -0.047 331 HD3 ARG 40 3HD ARG 40 -3.927 7.502 1.047 332 HE ARG 40 HE ARG 40 -6.657 7.202 1.086 333 HH11 ARG 40 1HH1 ARG 40 -3.977 5.130 1.745 334 HH12 ARG 40 2HH1 ARG 40 -4.828 4.262 2.980 335 HH21 ARG 40 1HH2 ARG 40 -7.693 6.110 2.722 336 HH22 ARG 40 2HH2 ARG 40 -6.872 4.824 3.538 337 H ALA 41 H ALA 41 -6.325 4.355 -3.197 338 HA ALA 41 HA ALA 41 -6.528 4.303 -5.951 339 HB1 ALA 41 3HB ALA 41 -7.175 2.440 -4.512 340 HB2 ALA 41 1HB ALA 41 -8.443 2.820 -5.678 341 HB3 ALA 41 2HB ALA 41 -8.608 3.329 -3.996 342 H ASP 42 H ASP 42 -8.112 6.490 -3.835 343 HA ASP 42 HA ASP 42 -10.230 7.196 -5.664 344 HB2 ASP 42 2HB ASP 42 -10.475 7.326 -3.187 345 HB3 ASP 42 3HB ASP 42 -9.305 8.644 -3.171 346 H GLY 43 H GLY 43 -6.992 8.416 -4.901 347 HA2 GLY 43 2HA GLY 43 -6.226 9.446 -7.193 348 HA3 GLY 43 3HA GLY 43 -7.382 10.680 -6.741 349 H SER 44 H SER 44 -6.773 10.845 -3.963 350 HA SER 44 HA SER 44 -4.707 12.784 -4.158 351 HB2 SER 44 2HB SER 44 -6.566 13.055 -2.594 352 HB3 SER 44 3HB SER 44 -6.041 11.635 -1.694 353 HG SER 44 HG SER 44 -4.901 13.004 -0.583 354 H ILE 45 H ILE 45 -2.849 12.942 -2.647 355 HA ILE 45 HA ILE 45 -1.181 10.576 -2.887 356 HB ILE 45 HB ILE 45 -0.593 13.383 -1.919 357 HG12 ILE 45 2HG1 ILE 45 -1.014 13.127 -4.350 358 HG13 ILE 45 3HG1 ILE 45 0.637 13.628 -4.004 359 HG21 ILE 45 1HG2 ILE 45 0.891 11.900 -0.726 360 HG22 ILE 45 2HG2 ILE 45 1.804 12.746 -1.977 361 HG23 ILE 45 3HG2 ILE 45 1.321 11.065 -2.222 362 HD11 ILE 45 3HD1 ILE 45 1.429 11.372 -4.384 363 HD12 ILE 45 1HD1 ILE 45 0.518 11.951 -5.776 364 HD13 ILE 45 2HD1 ILE 45 -0.223 10.815 -4.650 365 H GLN 46 H GLN 46 -0.474 9.283 -1.250 366 HA GLN 46 HA GLN 46 -1.382 9.888 1.488 367 HB2 GLN 46 2HB GLN 46 -2.205 7.768 0.796 368 HB3 GLN 46 3HB GLN 46 -0.649 7.290 0.136 369 HG2 GLN 46 2HG GLN 46 0.268 6.894 2.253 370 HG3 GLN 46 3HG GLN 46 -0.980 7.831 3.074 371 HE21 GLN 46 1HE2 GLN 46 -1.331 6.043 4.459 372 HE22 GLN 46 2HE2 GLN 46 -2.235 4.673 3.929 373 H ASN 47 H ASN 47 0.109 10.948 2.607 374 HA ASN 47 HA ASN 47 2.944 10.161 2.374 375 HB2 ASN 47 2HB ASN 47 3.369 12.363 3.538 376 HB3 ASN 47 3HB ASN 47 2.654 12.491 1.934 377 HD21 ASN 47 1HD2 ASN 47 1.675 14.431 2.200 378 HD22 ASN 47 2HD2 ASN 47 0.377 14.709 3.305 379 H GLN 48 H GLN 48 0.682 8.908 3.989 380 HA GLN 48 HA GLN 48 1.804 9.118 6.702 381 HB2 GLN 48 2HB GLN 48 -0.754 7.781 5.770 382 HB3 GLN 48 3HB GLN 48 -0.251 8.008 7.440 383 HG2 GLN 48 2HG GLN 48 -0.429 10.428 7.181 384 HG3 GLN 48 3HG GLN 48 -0.890 10.219 5.491 385 HE21 GLN 48 1HE2 GLN 48 -2.870 11.235 5.798 386 HE22 GLN 48 2HE2 GLN 48 -4.173 10.480 6.644 387 H SER 49 H SER 49 3.345 7.648 7.168 388 HA SER 49 HA SER 49 3.776 5.333 5.543 389 HB2 SER 49 2HB SER 49 5.660 4.848 7.036 390 HB3 SER 49 3HB SER 49 5.654 6.546 6.578 391 HG SER 49 HG SER 49 4.263 6.508 8.751 392 H LEU 50 H LEU 50 2.900 3.383 5.720 393 HA LEU 50 HA LEU 50 1.544 2.651 8.223 394 HB2 LEU 50 2HB LEU 50 0.471 0.860 6.677 395 HB3 LEU 50 3HB LEU 50 -0.076 2.521 6.599 396 HG LEU 50 HG LEU 50 1.488 2.793 4.589 397 HD11 LEU 50 1HD1 LEU 50 2.870 0.835 4.845 398 HD12 LEU 50 2HD1 LEU 50 1.973 0.720 3.333 399 HD13 LEU 50 3HD1 LEU 50 1.460 -0.221 4.734 400 HD21 LEU 50 3HD2 LEU 50 -0.939 2.693 4.392 401 HD22 LEU 50 1HD2 LEU 50 -0.879 0.930 4.369 402 HD23 LEU 50 2HD2 LEU 50 -0.165 1.855 3.046 403 H HIS 51 H HIS 51 2.198 0.982 9.443 404 HA HIS 51 HA HIS 51 4.524 -0.559 8.496 405 HB2 HIS 51 2HB HIS 51 3.620 0.159 11.290 406 HB3 HIS 51 3HB HIS 51 4.948 -0.948 10.951 407 HD1 HIS 51 HD1 HIS 51 7.181 0.093 10.796 408 HD2 HIS 51 HD2 HIS 51 4.152 2.849 10.083 409 HE1 HIS 51 HE1 HIS 51 8.335 2.305 10.516 410 HE2 HIS 51 HE2 HIS 51 6.473 3.974 10.278 411 H GLU 52 H GLU 52 1.353 -1.011 8.571 412 HA GLU 52 HA GLU 52 1.676 -3.878 8.488 413 HB2 GLU 52 2HB GLU 52 1.115 -3.334 10.909 414 HB3 GLU 52 3HB GLU 52 -0.444 -2.756 10.337 415 HG2 GLU 52 2HG GLU 52 -0.653 -5.016 11.162 416 HG3 GLU 52 3HG GLU 52 -0.922 -4.990 9.421 417 H ALA 53 H ALA 53 0.265 -4.807 7.022 418 HA ALA 53 HA ALA 53 -2.026 -3.372 6.028 419 HB1 ALA 53 3HB ALA 53 -0.251 -2.038 5.024 420 HB2 ALA 53 1HB ALA 53 -1.138 -2.923 3.783 421 HB3 ALA 53 2HB ALA 53 0.451 -3.486 4.302 422 H LEU 54 H LEU 54 -2.747 -4.378 3.842 423 HA LEU 54 HA LEU 54 -2.332 -7.303 3.910 424 HB2 LEU 54 2HB LEU 54 -4.837 -5.771 3.177 425 HB3 LEU 54 3HB LEU 54 -4.654 -7.511 3.069 426 HG LEU 54 HG LEU 54 -4.545 -5.907 5.635 427 HD11 LEU 54 1HD1 LEU 54 -6.787 -5.944 4.653 428 HD12 LEU 54 2HD1 LEU 54 -6.711 -6.903 6.129 429 HD13 LEU 54 3HD1 LEU 54 -6.720 -7.704 4.558 430 HD21 LEU 54 3HD2 LEU 54 -3.173 -7.922 5.738 431 HD22 LEU 54 1HD2 LEU 54 -4.535 -8.892 5.174 432 HD23 LEU 54 2HD2 LEU 54 -4.613 -8.085 6.742 433 H ILE 55 H ILE 55 -1.655 -8.222 2.051 434 HA ILE 55 HA ILE 55 -1.487 -6.536 -0.356 435 HB ILE 55 HB ILE 55 0.641 -7.444 0.429 436 HG12 ILE 55 2HG1 ILE 55 1.377 -8.586 -1.663 437 HG13 ILE 55 3HG1 ILE 55 -0.307 -8.746 -2.142 438 HG21 ILE 55 1HG2 ILE 55 1.095 -9.866 0.392 439 HG22 ILE 55 2HG2 ILE 55 -0.610 -10.166 0.050 440 HG23 ILE 55 3HG2 ILE 55 -0.134 -9.429 1.581 441 HD11 ILE 55 3HD1 ILE 55 1.158 -6.151 -1.722 442 HD12 ILE 55 1HD1 ILE 55 -0.522 -6.321 -2.232 443 HD13 ILE 55 2HD1 ILE 55 0.782 -6.893 -3.276 444 H THR 56 H THR 56 -2.659 -7.002 -2.146 445 HA THR 56 HA THR 56 -4.615 -9.052 -2.199 446 HB THR 56 HB THR 56 -4.813 -8.538 -4.653 447 HG1 THR 56 HG1 THR 56 -2.766 -6.630 -4.065 448 HG21 THR 56 3HG2 THR 56 -6.133 -7.299 -3.005 449 HG22 THR 56 1HG2 THR 56 -5.663 -6.254 -4.347 450 HG23 THR 56 2HG2 THR 56 -4.815 -6.144 -2.804 451 H ARG 57 H ARG 57 -4.730 -10.953 -3.463 452 HA ARG 57 HA ARG 57 -2.517 -12.632 -3.259 453 HB2 ARG 57 2HB ARG 57 -4.963 -13.260 -3.434 454 HB3 ARG 57 3HB ARG 57 -4.827 -13.023 -5.169 455 HG2 ARG 57 2HG ARG 57 -3.163 -14.807 -5.293 456 HG3 ARG 57 3HG ARG 57 -3.253 -15.021 -3.543 457 HD2 ARG 57 2HD ARG 57 -5.723 -15.485 -3.851 458 HD3 ARG 57 3HD ARG 57 -5.410 -15.543 -5.587 459 HE ARG 57 HE ARG 57 -3.672 -17.269 -4.140 460 HH11 ARG 57 1HH1 ARG 57 -6.874 -17.018 -5.422 461 HH12 ARG 57 2HH1 ARG 57 -7.083 -18.731 -5.486 462 HH21 ARG 57 1HH2 ARG 57 -3.982 -19.444 -4.195 463 HH22 ARG 57 2HH2 ARG 57 -5.463 -20.091 -4.799 464 H ASP 58 H ASP 58 -3.612 -10.713 -6.009 465 HA ASP 58 HA ASP 58 -1.555 -11.832 -7.752 466 HB2 ASP 58 2HB ASP 58 -3.663 -9.723 -8.281 467 HB3 ASP 58 3HB ASP 58 -2.593 -10.420 -9.497 468 H ARG 59 H ARG 59 -1.462 -9.575 -5.399 469 HA ARG 59 HA ARG 59 -0.166 -7.786 -4.873 470 HB2 ARG 59 2HB ARG 59 1.466 -9.044 -7.070 471 HB3 ARG 59 3HB ARG 59 1.987 -7.540 -6.330 472 HG2 ARG 59 2HG ARG 59 3.118 -9.392 -5.291 473 HG3 ARG 59 3HG ARG 59 2.017 -8.649 -4.132 474 HD2 ARG 59 2HD ARG 59 0.387 -10.434 -4.530 475 HD3 ARG 59 3HD ARG 59 1.474 -11.166 -5.714 476 HE ARG 59 HE ARG 59 2.862 -10.905 -3.301 477 HH11 ARG 59 1HH1 ARG 59 0.191 -12.684 -4.565 478 HH12 ARG 59 2HH1 ARG 59 0.439 -14.018 -3.497 479 HH21 ARG 59 1HH2 ARG 59 3.174 -12.637 -1.953 480 HH22 ARG 59 2HH2 ARG 59 2.118 -14.001 -2.053 481 H LYS 60 H LYS 60 -2.400 -7.245 -6.475 482 HA LYS 60 HA LYS 60 -1.546 -5.221 -8.424 483 HB2 LYS 60 2HB LYS 60 -3.949 -5.117 -9.040 484 HB3 LYS 60 3HB LYS 60 -3.272 -6.733 -9.190 485 HG2 LYS 60 2HG LYS 60 -4.324 -7.415 -7.117 486 HG3 LYS 60 3HG LYS 60 -4.921 -5.777 -6.848 487 HD2 LYS 60 2HD LYS 60 -6.701 -7.187 -7.701 488 HD3 LYS 60 3HD LYS 60 -6.285 -5.956 -8.894 489 HE2 LYS 60 2HE LYS 60 -4.967 -7.597 -10.141 490 HE3 LYS 60 3HE LYS 60 -5.332 -8.828 -8.929 491 HZ1 LYS 60 3HZ LYS 60 -6.742 -8.963 -10.928 492 HZ2 LYS 60 1HZ LYS 60 -7.375 -7.436 -10.576 493 HZ3 LYS 60 2HZ LYS 60 -7.644 -8.728 -9.514 494 H GLN 61 H GLN 61 -3.432 -5.484 -5.431 495 HA GLN 61 HA GLN 61 -3.133 -2.574 -5.033 496 HB2 GLN 61 2HB GLN 61 -5.553 -4.215 -4.221 497 HB3 GLN 61 3HB GLN 61 -5.339 -2.486 -3.989 498 HG2 GLN 61 2HG GLN 61 -5.481 -3.836 -6.682 499 HG3 GLN 61 3HG GLN 61 -6.851 -3.095 -5.859 500 HE21 GLN 61 1HE2 GLN 61 -5.651 -2.421 -8.430 501 HE22 GLN 61 2HE2 GLN 61 -5.206 -0.757 -8.317 502 H VAL 62 H VAL 62 -3.089 -1.908 -2.771 503 HA VAL 62 HA VAL 62 -2.515 -4.067 -0.829 504 HB VAL 62 HB VAL 62 -1.044 -1.418 -1.000 505 HG11 VAL 62 1HG1 VAL 62 0.390 -2.348 0.776 506 HG12 VAL 62 2HG1 VAL 62 -0.650 -3.770 0.863 507 HG13 VAL 62 3HG1 VAL 62 -1.285 -2.185 1.302 508 HG21 VAL 62 3HG2 VAL 62 -0.342 -2.892 -2.797 509 HG22 VAL 62 1HG2 VAL 62 -0.096 -4.212 -1.653 510 HG23 VAL 62 2HG2 VAL 62 0.933 -2.780 -1.581 511 H PHE 63 H PHE 63 -3.895 -3.973 0.863 512 HA PHE 63 HA PHE 63 -5.302 -1.461 1.434 513 HB2 PHE 63 2HB PHE 63 -5.803 -4.302 2.364 514 HB3 PHE 63 3HB PHE 63 -6.735 -2.913 2.918 515 HD1 PHE 63 HD1 PHE 63 -8.192 -1.690 1.355 516 HD2 PHE 63 HD2 PHE 63 -6.152 -5.241 0.187 517 HE1 PHE 63 HE1 PHE 63 -9.683 -1.902 -0.586 518 HE2 PHE 63 HE2 PHE 63 -7.644 -5.460 -1.757 519 HZ PHE 63 HZ PHE 63 -9.412 -3.790 -2.147 520 H ARG 64 H ARG 64 -5.680 -0.965 3.811 521 HA ARG 64 HA ARG 64 -3.085 -1.227 5.210 522 HB2 ARG 64 2HB ARG 64 -3.250 0.991 4.420 523 HB3 ARG 64 3HB ARG 64 -4.944 1.113 4.857 524 HG2 ARG 64 2HG ARG 64 -4.287 1.080 7.249 525 HG3 ARG 64 3HG ARG 64 -2.594 1.088 6.744 526 HD2 ARG 64 2HD ARG 64 -2.805 3.234 5.748 527 HD3 ARG 64 3HD ARG 64 -4.564 3.191 5.857 528 HE ARG 64 HE ARG 64 -2.692 3.815 7.988 529 HH11 ARG 64 1HH1 ARG 64 -5.948 3.145 7.054 530 HH12 ARG 64 2HH1 ARG 64 -6.608 3.803 8.513 531 HH21 ARG 64 1HH2 ARG 64 -3.561 4.692 9.827 532 HH22 ARG 64 2HH2 ARG 64 -5.276 4.704 10.042 533 H ILE 65 H ILE 65 -3.050 -1.493 7.435 534 HA ILE 65 HA ILE 65 -5.646 -2.100 8.719 535 HB ILE 65 HB ILE 65 -2.918 -3.216 9.427 536 HG12 ILE 65 2HG1 ILE 65 -5.263 -4.563 8.057 537 HG13 ILE 65 3HG1 ILE 65 -3.757 -4.095 7.276 538 HG21 ILE 65 1HG2 ILE 65 -4.178 -4.746 10.900 539 HG22 ILE 65 2HG2 ILE 65 -5.660 -3.873 10.514 540 HG23 ILE 65 3HG2 ILE 65 -4.356 -3.057 11.378 541 HD11 ILE 65 3HD1 ILE 65 -4.065 -6.153 9.457 542 HD12 ILE 65 1HD1 ILE 65 -2.541 -5.670 8.708 543 HD13 ILE 65 2HD1 ILE 65 -3.784 -6.466 7.745 544 H GLU 66 H GLU 66 -6.193 -0.996 10.545 545 HA GLU 66 HA GLU 66 -4.086 0.534 11.935 546 HB2 GLU 66 2HB GLU 66 -5.727 2.355 12.327 547 HB3 GLU 66 3HB GLU 66 -5.339 2.127 10.628 548 HG2 GLU 66 2HG GLU 66 -7.439 0.929 10.293 549 HG3 GLU 66 3HG GLU 66 -7.830 1.118 12.001 550 H ASP 67 H ASP 67 -3.958 0.190 14.049 551 HA ASP 67 HA ASP 67 -4.415 -0.405 16.197 552 HB2 ASP 67 2HB ASP 67 -6.448 0.937 16.087 553 HB3 ASP 67 3HB ASP 67 -7.308 -0.377 15.291 554 H SER 68 H SER 68 -6.336 -2.244 13.886 555 HA SER 68 HA SER 68 -5.407 -4.790 14.335 556 HB2 SER 68 2HB SER 68 -6.186 -4.615 16.653 557 HB3 SER 68 3HB SER 68 -7.794 -4.144 16.107 558 HG SER 68 HG SER 68 -8.211 -6.171 15.510 559 H ILE 69 H ILE 69 -7.948 -2.608 13.499 560 HA ILE 69 HA ILE 69 -9.647 -4.480 12.147 561 HB ILE 69 HB ILE 69 -9.569 -1.472 11.831 562 HG12 ILE 69 2HG1 ILE 69 -9.796 -2.027 14.198 563 HG13 ILE 69 3HG1 ILE 69 -11.320 -1.406 13.576 564 HG21 ILE 69 1HG2 ILE 69 -10.865 -2.598 10.107 565 HG22 ILE 69 2HG2 ILE 69 -11.935 -1.724 11.202 566 HG23 ILE 69 3HG2 ILE 69 -11.778 -3.475 11.336 567 HD11 ILE 69 3HD1 ILE 69 -10.658 -4.302 14.059 568 HD12 ILE 69 1HD1 ILE 69 -12.192 -3.682 13.449 569 HD13 ILE 69 2HD1 ILE 69 -11.661 -3.276 15.081 570 HA PRO 70 HA PRO 70 -7.261 -4.307 8.282 571 HB2 PRO 70 2HB PRO 70 -8.598 -6.268 6.998 572 HB3 PRO 70 3HB PRO 70 -7.423 -6.618 8.271 573 HG2 PRO 70 2HG PRO 70 -10.413 -6.552 8.424 574 HG3 PRO 70 3HG PRO 70 -9.283 -7.711 9.145 575 HD2 PRO 70 2HD PRO 70 -10.427 -5.627 10.525 576 HD3 PRO 70 3HD PRO 70 -8.875 -6.371 10.961 577 H VAL 71 H VAL 71 -7.877 -2.307 7.456 578 HA VAL 71 HA VAL 71 -10.606 -1.745 6.729 579 HB VAL 71 HB VAL 71 -8.151 -0.098 6.086 580 HG11 VAL 71 1HG1 VAL 71 -11.059 0.682 6.338 581 HG12 VAL 71 2HG1 VAL 71 -10.158 0.530 4.830 582 HG13 VAL 71 3HG1 VAL 71 -9.719 1.777 5.996 583 HG21 VAL 71 3HG2 VAL 71 -8.249 -0.559 8.491 584 HG22 VAL 71 1HG2 VAL 71 -9.916 0.022 8.540 585 HG23 VAL 71 2HG2 VAL 71 -8.603 1.138 8.153 586 H LEU 72 H LEU 72 -11.396 -2.831 5.013 587 HA LEU 72 HA LEU 72 -9.733 -3.219 2.627 588 HB2 LEU 72 2HB LEU 72 -12.428 -4.384 3.345 589 HB3 LEU 72 3HB LEU 72 -11.481 -4.805 1.928 590 HG LEU 72 HG LEU 72 -10.691 -5.326 4.805 591 HD11 LEU 72 1HD1 LEU 72 -12.497 -6.776 4.047 592 HD12 LEU 72 2HD1 LEU 72 -10.996 -7.684 4.226 593 HD13 LEU 72 3HD1 LEU 72 -11.560 -7.222 2.618 594 HD21 LEU 72 3HD2 LEU 72 -8.731 -4.872 3.433 595 HD22 LEU 72 1HD2 LEU 72 -9.278 -6.038 2.227 596 HD23 LEU 72 2HD2 LEU 72 -8.812 -6.585 3.837 597 H LEU 73 H LEU 73 -11.067 -0.617 3.365 598 HA LEU 73 HA LEU 73 -13.159 -0.152 1.479 599 HB2 LEU 73 2HB LEU 73 -11.313 1.795 2.878 600 HB3 LEU 73 3HB LEU 73 -12.739 2.251 1.967 601 HG LEU 73 HG LEU 73 -12.748 0.570 4.482 602 HD11 LEU 73 1HD1 LEU 73 -13.527 3.455 4.051 603 HD12 LEU 73 2HD1 LEU 73 -12.129 2.873 4.954 604 HD13 LEU 73 3HD1 LEU 73 -13.757 2.536 5.541 605 HD21 LEU 73 3HD2 LEU 73 -15.189 0.885 4.403 606 HD22 LEU 73 1HD2 LEU 73 -14.594 -0.007 3.005 607 HD23 LEU 73 2HD2 LEU 73 -15.028 1.694 2.845 608 HA PRO 74 HA PRO 74 -10.861 0.154 -2.334 609 HB2 PRO 74 2HB PRO 74 -12.382 2.201 -3.495 610 HB3 PRO 74 3HB PRO 74 -12.720 0.472 -3.607 611 HG2 PRO 74 2HG PRO 74 -13.886 2.518 -1.765 612 HG3 PRO 74 3HG PRO 74 -14.677 1.145 -2.563 613 HD2 PRO 74 2HD PRO 74 -14.033 1.046 0.032 614 HD3 PRO 74 3HD PRO 74 -13.857 -0.388 -1.004 615 H GLU 75 H GLU 75 -11.843 3.276 -0.877 616 HA GLU 75 HA GLU 75 -9.789 4.837 -1.999 617 HB2 GLU 75 2HB GLU 75 -10.314 6.471 -0.228 618 HB3 GLU 75 3HB GLU 75 -11.762 5.848 -1.005 619 HG2 GLU 75 2HG GLU 75 -12.179 4.369 0.873 620 HG3 GLU 75 3HG GLU 75 -10.679 4.888 1.642 621 H GLU 76 H GLU 76 -9.692 2.555 0.572 622 HA GLU 76 HA GLU 76 -7.319 3.619 1.856 623 HB2 GLU 76 2HB GLU 76 -9.086 2.456 3.148 624 HB3 GLU 76 3HB GLU 76 -8.769 0.983 2.247 625 HG2 GLU 76 2HG GLU 76 -7.704 0.713 4.327 626 HG3 GLU 76 3HG GLU 76 -6.418 1.056 3.172 627 H ALA 77 H ALA 77 -7.945 1.735 -0.869 628 HA ALA 77 HA ALA 77 -5.704 -0.067 -0.658 629 HB1 ALA 77 3HB ALA 77 -7.502 0.475 -3.023 630 HB2 ALA 77 1HB ALA 77 -7.794 -0.733 -1.771 631 HB3 ALA 77 2HB ALA 77 -6.393 -0.886 -2.836 632 H ILE 78 H ILE 78 -3.682 0.475 -1.090 633 HA ILE 78 HA ILE 78 -2.959 2.652 -2.858 634 HB ILE 78 HB ILE 78 -1.262 0.624 -1.371 635 HG12 ILE 78 2HG1 ILE 78 -0.561 2.717 -0.083 636 HG13 ILE 78 3HG1 ILE 78 -1.910 3.539 -0.854 637 HG21 ILE 78 1HG2 ILE 78 -0.358 2.998 -3.014 638 HG22 ILE 78 2HG2 ILE 78 -0.097 1.297 -3.396 639 HG23 ILE 78 3HG2 ILE 78 0.682 2.013 -1.985 640 HD11 ILE 78 3HD1 ILE 78 -2.462 2.794 1.395 641 HD12 ILE 78 1HD1 ILE 78 -2.116 1.126 0.936 642 HD13 ILE 78 2HD1 ILE 78 -3.466 1.984 0.189 643 H ALA 79 H ALA 79 -2.389 2.457 -4.977 644 HA ALA 79 HA ALA 79 -2.687 -0.111 -6.289 645 HB1 ALA 79 3HB ALA 79 -2.010 2.602 -7.437 646 HB2 ALA 79 1HB ALA 79 -3.628 1.915 -7.290 647 HB3 ALA 79 2HB ALA 79 -2.447 1.166 -8.364 648 H THR 80 H THR 80 -1.039 -1.526 -6.476 649 HA THR 80 HA THR 80 1.648 -0.959 -5.850 650 HB THR 80 HB THR 80 2.213 -3.153 -6.805 651 HG1 THR 80 HG1 THR 80 0.575 -4.358 -7.846 652 HG21 THR 80 3HG2 THR 80 0.763 -4.540 -5.405 653 HG22 THR 80 1HG2 THR 80 -0.385 -3.209 -5.254 654 HG23 THR 80 2HG2 THR 80 1.229 -3.066 -4.555 655 H ILE 81 H ILE 81 -0.091 -0.577 -8.810 656 HA ILE 81 HA ILE 81 1.968 -0.723 -10.699 657 HB ILE 81 HB ILE 81 -0.450 -0.627 -11.244 658 HG12 ILE 81 2HG1 ILE 81 -0.257 0.843 -13.245 659 HG13 ILE 81 3HG1 ILE 81 1.232 1.512 -12.585 660 HG21 ILE 81 1HG2 ILE 81 -0.217 2.308 -10.573 661 HG22 ILE 81 2HG2 ILE 81 -1.133 1.099 -9.672 662 HG23 ILE 81 3HG2 ILE 81 -1.615 1.527 -11.313 663 HD11 ILE 81 3HD1 ILE 81 1.666 -0.166 -14.293 664 HD12 ILE 81 1HD1 ILE 81 0.788 -1.367 -13.346 665 HD13 ILE 81 2HD1 ILE 81 2.287 -0.675 -12.723 666 H GLN 82 H GLN 82 1.339 1.671 -8.297 667 HA GLN 82 HA GLN 82 2.971 3.707 -9.631 668 HB2 GLN 82 2HB GLN 82 1.475 3.811 -7.000 669 HB3 GLN 82 3HB GLN 82 2.265 5.172 -7.792 670 HG2 GLN 82 2HG GLN 82 0.714 5.049 -9.640 671 HG3 GLN 82 3HG GLN 82 -0.026 3.602 -8.959 672 HE21 GLN 82 1HE2 GLN 82 -1.235 6.185 -9.597 673 HE22 GLN 82 2HE2 GLN 82 -1.931 6.750 -8.125 674 H ILE 83 H ILE 83 3.388 1.172 -7.402 675 HA ILE 83 HA ILE 83 5.366 2.444 -5.736 676 HB ILE 83 HB ILE 83 4.720 -0.507 -5.971 677 HG12 ILE 83 2HG1 ILE 83 2.719 0.760 -5.343 678 HG13 ILE 83 3HG1 ILE 83 3.312 -0.158 -3.963 679 HG21 ILE 83 1HG2 ILE 83 5.720 -0.671 -3.727 680 HG22 ILE 83 2HG2 ILE 83 6.141 1.041 -3.795 681 HG23 ILE 83 3HG2 ILE 83 6.884 -0.096 -4.922 682 HD11 ILE 83 3HD1 ILE 83 2.592 2.056 -3.300 683 HD12 ILE 83 1HD1 ILE 83 3.721 2.787 -4.437 684 HD13 ILE 83 2HD1 ILE 83 4.329 1.872 -3.057 685 H ALA 84 H ALA 84 7.053 3.134 -7.024 686 HA ALA 84 HA ALA 84 8.330 1.642 -9.035 687 HB1 ALA 84 3HB ALA 84 9.467 3.861 -7.336 688 HB2 ALA 84 1HB ALA 84 8.537 4.064 -8.822 689 HB3 ALA 84 2HB ALA 84 10.121 3.288 -8.873 690 H ASN 85 H ASN 85 8.535 1.334 -5.620 691 HA ASN 85 HA ASN 85 11.143 0.034 -5.660 692 HB2 ASN 85 2HB ASN 85 9.210 0.519 -3.378 693 HB3 ASN 85 3HB ASN 85 10.817 -0.187 -3.209 694 HD21 ASN 85 1HD2 ASN 85 9.016 2.712 -3.687 695 HD22 ASN 85 2HD2 ASN 85 10.347 3.802 -3.573 696 H PHE 86 H PHE 86 8.306 -1.032 -6.687 697 HA PHE 86 HA PHE 86 7.822 -3.402 -5.222 698 HB2 PHE 86 2HB PHE 86 6.465 -2.070 -7.177 699 HB3 PHE 86 3HB PHE 86 7.110 -3.418 -8.107 700 HD1 PHE 86 HD1 PHE 86 5.563 -2.924 -4.736 701 HD2 PHE 86 HD2 PHE 86 5.637 -5.186 -8.348 702 HE1 PHE 86 HE1 PHE 86 3.745 -4.347 -3.885 703 HE2 PHE 86 HE2 PHE 86 3.823 -6.608 -7.500 704 HZ PHE 86 HZ PHE 86 2.872 -6.190 -5.266 705 HA PRO 87 HA PRO 87 11.264 -5.909 -6.220 706 HB2 PRO 87 2HB PRO 87 10.136 -8.425 -6.189 707 HB3 PRO 87 3HB PRO 87 10.547 -7.494 -4.744 708 HG2 PRO 87 2HG PRO 87 7.899 -7.771 -6.125 709 HG3 PRO 87 3HG PRO 87 8.267 -7.832 -4.388 710 HD2 PRO 87 2HD PRO 87 7.251 -5.621 -5.496 711 HD3 PRO 87 3HD PRO 87 8.493 -5.515 -4.230 712 H ASP 88 H ASP 88 12.133 -7.598 -7.655 713 HA ASP 88 HA ASP 88 11.394 -7.093 -10.399 714 HB2 ASP 88 2HB ASP 88 13.738 -7.094 -9.839 715 HB3 ASP 88 3HB ASP 88 13.620 -8.693 -9.113 716 H LYS 89 H LYS 89 11.012 -8.744 -11.986 717 HA LYS 89 HA LYS 89 10.592 -11.478 -11.318 718 HB2 LYS 89 2HB LYS 89 8.168 -11.602 -11.700 719 HB3 LYS 89 3HB LYS 89 8.544 -10.616 -10.292 720 HG2 LYS 89 2HG LYS 89 8.097 -8.596 -11.503 721 HG3 LYS 89 3HG LYS 89 7.942 -9.479 -13.021 722 HD2 LYS 89 2HD LYS 89 5.739 -8.914 -12.222 723 HD3 LYS 89 3HD LYS 89 5.964 -10.656 -12.082 724 HE2 LYS 89 2HE LYS 89 6.392 -8.750 -9.784 725 HE3 LYS 89 3HE LYS 89 4.839 -9.507 -10.126 726 HZ1 LYS 89 3HZ LYS 89 7.361 -10.810 -9.292 727 HZ2 LYS 89 1HZ LYS 89 6.083 -11.687 -9.973 728 HZ3 LYS 89 2HZ LYS 89 5.856 -10.849 -8.529 729 H LEU 90 H LEU 90 9.505 -12.664 -13.206 730 HA LEU 90 HA LEU 90 10.307 -11.403 -15.757 731 HB2 LEU 90 2HB LEU 90 10.186 -14.308 -14.933 732 HB3 LEU 90 3HB LEU 90 10.346 -13.809 -16.605 733 HG LEU 90 HG LEU 90 12.483 -12.646 -15.995 734 HD11 LEU 90 1HD1 LEU 90 12.113 -14.053 -13.352 735 HD12 LEU 90 2HD1 LEU 90 12.106 -12.311 -13.624 736 HD13 LEU 90 3HD1 LEU 90 13.581 -13.234 -13.890 737 HD21 LEU 90 3HD2 LEU 90 12.380 -15.610 -15.416 738 HD22 LEU 90 1HD2 LEU 90 13.816 -14.689 -15.864 739 HD23 LEU 90 2HD2 LEU 90 12.489 -14.866 -17.011 740 H GLU 91 H GLU 91 8.792 -11.055 -17.305 741 HA GLU 91 HA GLU 91 6.186 -12.392 -17.041 742 HB2 GLU 91 2HB GLU 91 5.052 -10.217 -17.519 743 HB3 GLU 91 3HB GLU 91 5.857 -10.284 -15.958 744 HG2 GLU 91 2HG GLU 91 7.729 -8.990 -16.852 745 HG3 GLU 91 3HG GLU 91 6.947 -8.942 -18.432 746 H HIS 92 H HIS 92 6.159 -13.600 -18.828 747 HA HIS 92 HA HIS 92 6.855 -12.396 -21.422 748 HB2 HIS 92 2HB HIS 92 7.970 -14.510 -20.921 749 HB3 HIS 92 3HB HIS 92 6.422 -15.292 -20.630 750 HD1 HIS 92 HD1 HIS 92 8.444 -13.798 -23.456 751 HD2 HIS 92 HD2 HIS 92 5.234 -16.364 -22.858 752 HE1 HIS 92 HE1 HIS 92 7.938 -14.777 -25.708 753 HE2 HIS 92 HE2 HIS 92 6.077 -16.419 -25.303 754 H HIS 93 H HIS 93 4.920 -11.133 -21.585 755 HA HIS 93 HA HIS 93 2.776 -12.407 -22.957 756 HB2 HIS 93 2HB HIS 93 2.482 -12.047 -20.062 757 HB3 HIS 93 3HB HIS 93 1.210 -11.230 -20.958 758 HD1 HIS 93 HD1 HIS 93 2.667 -14.688 -20.442 759 HD2 HIS 93 HD2 HIS 93 -0.753 -12.881 -21.956 760 HE1 HIS 93 HE1 HIS 93 1.048 -16.556 -20.853 761 HE2 HIS 93 HE2 HIS 93 -0.962 -15.457 -21.888 762 H HIS 94 H HIS 94 1.318 -10.892 -23.917 763 HA HIS 94 HA HIS 94 1.936 -8.040 -23.518 764 HB2 HIS 94 2HB HIS 94 1.851 -9.420 -26.220 765 HB3 HIS 94 3HB HIS 94 1.991 -7.682 -25.971 766 HD1 HIS 94 HD1 HIS 94 4.274 -6.777 -25.157 767 HD2 HIS 94 HD2 HIS 94 4.189 -10.883 -25.780 768 HE1 HIS 94 HE1 HIS 94 6.674 -7.518 -25.101 769 HE2 HIS 94 HE2 HIS 94 6.572 -10.027 -25.281 770 H HIS 95 H HIS 95 0.334 -6.723 -25.041 771 HA HIS 95 HA HIS 95 -1.777 -6.097 -25.577 772 HB2 HIS 95 2HB HIS 95 -2.520 -9.019 -25.299 773 HB3 HIS 95 3HB HIS 95 -3.523 -7.765 -26.024 774 HD1 HIS 95 HD1 HIS 95 -1.409 -10.399 -27.026 775 HD2 HIS 95 HD2 HIS 95 -1.869 -6.458 -28.272 776 HE1 HIS 95 HE1 HIS 95 -0.393 -10.295 -29.314 777 HE2 HIS 95 HE2 HIS 95 -0.731 -7.920 -30.074 778 H HIS 96 H HIS 96 -1.405 -8.135 -22.731 779 HA HIS 96 HA HIS 96 -3.614 -7.265 -21.240 780 HB2 HIS 96 2HB HIS 96 -2.134 -9.118 -20.560 781 HB3 HIS 96 3HB HIS 96 -0.821 -7.980 -20.297 782 HD1 HIS 96 HD1 HIS 96 -0.468 -7.905 -17.857 783 HD2 HIS 96 HD2 HIS 96 -4.515 -7.876 -18.816 784 HE1 HIS 96 HE1 HIS 96 -1.678 -7.644 -15.673 785 HE2 HIS 96 HE2 HIS 96 -4.115 -7.764 -16.259 786 H HIS 97 H HIS 97 -0.387 -5.887 -21.660 787 HA HIS 97 HA HIS 97 -1.502 -3.213 -21.314 788 HB2 HIS 97 2HB HIS 97 0.814 -4.278 -19.691 789 HB3 HIS 97 3HB HIS 97 0.635 -2.561 -20.019 790 HD1 HIS 97 HD1 HIS 97 0.016 -4.780 -17.413 791 HD2 HIS 97 HD2 HIS 97 -2.273 -1.824 -19.225 792 HE1 HIS 97 HE1 HIS 97 -1.762 -4.186 -15.742 793 HE2 HIS 97 HE2 HIS 97 -3.196 -2.474 -16.898
Contact the webmaster for help, if required. Sunday, May 19, 2024 5:06:33 PM GMT (wattos1)