NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21247 | 2hdm | 15110 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 2 1H GLY 2 -12.513 -11.106 7.910 2 1HA GLY 2 1HA GLY 2 -13.617 -9.452 9.787 3 2HA GLY 2 2HA GLY 2 -12.027 -9.907 10.390 4 H SER 3 H SER 3 -10.166 -9.327 9.183 5 HA SER 3 HA SER 3 -10.677 -7.005 7.499 6 1HB SER 3 1HB SER 3 -8.277 -6.510 7.984 7 2HB SER 3 2HB SER 3 -9.296 -6.579 9.424 8 HG SER 3 HG SER 3 -7.579 -7.805 9.934 9 H GLU 4 H GLU 4 -10.057 -10.217 7.214 10 HA GLU 4 HA GLU 4 -8.044 -10.556 5.354 11 1HB GLU 4 1HB GLU 4 -10.614 -12.073 5.747 12 2HB GLU 4 2HB GLU 4 -9.402 -12.588 4.587 13 1HG GLU 4 1HG GLU 4 -9.310 -13.801 6.757 14 2HG GLU 4 2HG GLU 4 -7.808 -12.984 6.333 15 H VAL 5 H VAL 5 -11.471 -10.412 4.504 16 HA VAL 5 HA VAL 5 -10.668 -8.979 2.091 17 HB VAL 5 HB VAL 5 -12.496 -10.044 0.837 18 1HG1 VAL 5 1HG1 VAL 5 -10.625 -12.054 2.067 19 2HG1 VAL 5 2HG1 VAL 5 -10.316 -11.059 0.643 20 3HG1 VAL 5 3HG1 VAL 5 -11.564 -12.304 0.595 21 1HG2 VAL 5 1HG2 VAL 5 -12.894 -11.757 3.288 22 2HG2 VAL 5 2HG2 VAL 5 -13.691 -12.002 1.732 23 3HG2 VAL 5 3HG2 VAL 5 -14.021 -10.548 2.673 24 H SER 6 H SER 6 -12.239 -7.474 1.317 25 HA SER 6 HA SER 6 -14.610 -6.908 2.731 26 1HB SER 6 1HB SER 6 -13.033 -6.086 4.455 27 2HB SER 6 2HB SER 6 -12.279 -5.038 3.255 28 HG SER 6 HG SER 6 -14.091 -3.807 3.172 29 H ASP 7 H ASP 7 -11.973 -5.408 0.978 30 HA ASP 7 HA ASP 7 -11.823 -4.190 -0.899 31 1HB ASP 7 1HB ASP 7 -14.511 -5.440 -1.549 32 2HB ASP 7 2HB ASP 7 -13.644 -4.402 -2.674 33 H LYS 8 H LYS 8 -13.323 -2.493 -2.334 34 HA LYS 8 HA LYS 8 -14.074 -0.450 -2.376 35 1HB LYS 8 1HB LYS 8 -16.154 -1.515 -1.540 36 2HB LYS 8 2HB LYS 8 -15.641 -1.214 0.125 37 1HG LYS 8 1HG LYS 8 -17.310 0.253 -0.619 38 2HG LYS 8 2HG LYS 8 -15.781 1.136 -0.386 39 1HD LYS 8 1HD LYS 8 -15.420 1.364 -2.640 40 2HD LYS 8 2HD LYS 8 -16.480 0.012 -3.053 41 1HE LYS 8 1HE LYS 8 -17.506 2.099 -3.653 42 2HE LYS 8 2HE LYS 8 -18.318 1.197 -2.348 43 1HZ LYS 8 1HZ LYS 8 -16.530 3.528 -1.848 44 2HZ LYS 8 2HZ LYS 8 -17.498 2.715 -0.725 45 3HZ LYS 8 3HZ LYS 8 -18.204 3.634 -1.926 46 H ARG 9 H ARG 9 -14.269 -0.358 1.136 47 HA ARG 9 HA ARG 9 -11.549 0.585 1.300 48 1HB ARG 9 1HB ARG 9 -13.852 2.133 2.575 49 2HB ARG 9 2HB ARG 9 -12.159 2.378 2.943 50 1HG ARG 9 1HG ARG 9 -11.816 3.006 0.547 51 2HG ARG 9 2HG ARG 9 -13.566 2.944 0.350 52 1HD ARG 9 1HD ARG 9 -12.043 4.727 2.262 53 2HD ARG 9 2HD ARG 9 -12.834 5.237 0.775 54 HE ARG 9 HE ARG 9 -14.762 4.019 2.315 55 1HH1 ARG 9 1HH1 ARG 9 -12.682 6.849 2.622 56 2HH1 ARG 9 2HH1 ARG 9 -13.779 7.729 3.593 57 1HH2 ARG 9 1HH2 ARG 9 -16.261 5.226 3.644 58 2HH2 ARG 9 2HH2 ARG 9 -15.862 6.792 4.179 59 H THR 10 H THR 10 -10.844 -1.101 2.277 60 HA THR 10 HA THR 10 -12.219 -2.605 4.211 61 HB THR 10 HB THR 10 -9.241 -2.462 3.618 62 HG1 THR 10 HG1 THR 10 -10.271 -3.080 1.760 63 1HG2 THR 10 1HG2 THR 10 -9.708 -3.613 5.756 64 2HG2 THR 10 2HG2 THR 10 -9.153 -4.757 4.536 65 3HG2 THR 10 3HG2 THR 10 -10.867 -4.663 4.942 66 H CYS 11 H CYS 11 -10.315 0.292 4.431 67 HA CYS 11 HA CYS 11 -10.672 0.346 7.309 68 1HB CYS 11 1HB CYS 11 -8.327 1.134 7.535 69 2HB CYS 11 2HB CYS 11 -8.445 -0.541 6.987 70 H VAL 12 H VAL 12 -10.539 2.539 8.113 71 HA VAL 12 HA VAL 12 -10.783 4.575 6.016 72 HB VAL 12 HB VAL 12 -12.273 5.868 7.521 73 1HG1 VAL 12 1HG1 VAL 12 -13.236 3.067 6.961 74 2HG1 VAL 12 2HG1 VAL 12 -13.269 4.425 5.836 75 3HG1 VAL 12 3HG1 VAL 12 -14.269 4.457 7.287 76 1HG2 VAL 12 1HG2 VAL 12 -11.517 4.997 9.675 77 2HG2 VAL 12 2HG2 VAL 12 -12.180 3.411 9.280 78 3HG2 VAL 12 3HG2 VAL 12 -13.262 4.784 9.504 79 H SER 13 H SER 13 -8.998 3.582 8.729 80 HA SER 13 HA SER 13 -7.983 6.272 9.230 81 1HB SER 13 1HB SER 13 -6.727 5.179 11.054 82 2HB SER 13 2HB SER 13 -8.487 5.005 11.210 83 HG SER 13 HG SER 13 -7.134 3.016 9.819 84 H LEU 14 H LEU 14 -5.850 6.867 8.831 85 HA LEU 14 HA LEU 14 -4.355 4.976 7.184 86 1HB LEU 14 1HB LEU 14 -4.251 7.986 7.049 87 2HB LEU 14 2HB LEU 14 -3.438 6.861 5.990 88 HG LEU 14 HG LEU 14 -5.808 6.094 5.343 89 1HD1 LEU 14 1HD1 LEU 14 -6.491 8.767 6.476 90 2HD1 LEU 14 2HD1 LEU 14 -7.012 7.190 7.071 91 3HD1 LEU 14 3HD1 LEU 14 -7.549 7.752 5.484 92 1HD2 LEU 14 1HD2 LEU 14 -5.980 7.855 3.639 93 2HD2 LEU 14 2HD2 LEU 14 -4.355 7.211 3.819 94 3HD2 LEU 14 3HD2 LEU 14 -4.759 8.791 4.512 95 H THR 15 H THR 15 -2.176 4.723 7.605 96 HA THR 15 HA THR 15 -1.188 5.613 10.096 97 HB THR 15 HB THR 15 -0.034 3.947 7.844 98 HG1 THR 15 HG1 THR 15 -1.682 2.790 8.579 99 1HG2 THR 15 1HG2 THR 15 1.496 3.111 9.546 100 2HG2 THR 15 2HG2 THR 15 0.766 4.221 10.723 101 3HG2 THR 15 3HG2 THR 15 1.645 4.859 9.321 102 H THR 16 H THR 16 -0.100 7.506 10.215 103 HA THR 16 HA THR 16 0.897 8.755 7.791 104 HB THR 16 HB THR 16 0.797 9.845 10.630 105 HG1 THR 16 HG1 THR 16 -1.251 9.342 9.700 106 1HG2 THR 16 1HG2 THR 16 1.022 12.045 9.544 107 2HG2 THR 16 2HG2 THR 16 1.121 11.260 7.968 108 3HG2 THR 16 3HG2 THR 16 2.402 11.017 9.154 109 H GLN 17 H GLN 17 1.970 7.000 10.551 110 HA GLN 17 HA GLN 17 4.684 7.944 10.447 111 1HB GLN 17 1HB GLN 17 5.221 6.183 12.071 112 2HB GLN 17 2HB GLN 17 3.820 7.109 12.588 113 1HG GLN 17 1HG GLN 17 2.372 5.292 11.812 114 2HG GLN 17 2HG GLN 17 3.794 4.372 11.330 115 1HE2 GLN 17 1HE2 GLN 17 5.311 5.340 13.711 116 2HE2 GLN 17 2HE2 GLN 17 4.706 4.442 15.024 117 H ARG 18 H ARG 18 6.531 6.210 10.134 118 HA ARG 18 HA ARG 18 5.921 5.323 7.435 119 1HB ARG 18 1HB ARG 18 8.636 5.685 8.670 120 2HB ARG 18 2HB ARG 18 8.268 5.307 6.997 121 1HG ARG 18 1HG ARG 18 7.012 7.488 6.923 122 2HG ARG 18 2HG ARG 18 7.779 7.844 8.476 123 1HD ARG 18 1HD ARG 18 9.146 7.115 5.942 124 2HD ARG 18 2HD ARG 18 9.032 8.758 6.573 125 HE ARG 18 HE ARG 18 10.180 7.265 8.585 126 1HH1 ARG 18 1HH1 ARG 18 11.145 8.055 5.236 127 2HH1 ARG 18 2HH1 ARG 18 12.800 7.909 5.582 128 1HH2 ARG 18 1HH2 ARG 18 12.446 7.093 8.984 129 2HH2 ARG 18 2HH2 ARG 18 13.558 7.365 7.724 130 H LEU 19 H LEU 19 6.719 3.481 6.557 131 HA LEU 19 HA LEU 19 7.506 1.295 8.320 132 1HB LEU 19 1HB LEU 19 5.701 1.238 5.877 133 2HB LEU 19 2HB LEU 19 6.456 -0.190 6.527 134 HG LEU 19 HG LEU 19 5.106 0.135 8.613 135 1HD1 LEU 19 1HD1 LEU 19 3.643 2.232 7.032 136 2HD1 LEU 19 2HD1 LEU 19 4.642 2.516 8.457 137 3HD1 LEU 19 3HD1 LEU 19 3.163 1.565 8.591 138 1HD2 LEU 19 1HD2 LEU 19 4.460 -1.423 6.887 139 2HD2 LEU 19 2HD2 LEU 19 3.564 -0.149 6.052 140 3HD2 LEU 19 3HD2 LEU 19 3.052 -0.693 7.654 141 HA PRO 20 HA PRO 20 11.025 1.183 5.509 142 1HB PRO 20 1HB PRO 20 10.782 -1.751 5.484 143 2HB PRO 20 2HB PRO 20 12.141 -0.754 5.994 144 1HG PRO 20 1HG PRO 20 10.539 -2.120 7.691 145 2HG PRO 20 2HG PRO 20 11.402 -0.641 8.163 146 1HD PRO 20 1HD PRO 20 8.519 -1.077 7.618 147 2HD PRO 20 2HD PRO 20 9.310 0.166 8.606 148 H CYS 21 H CYS 21 11.083 1.224 3.303 149 HA CYS 21 HA CYS 21 8.677 0.678 1.907 150 1HB CYS 21 1HB CYS 21 10.501 2.485 1.447 151 2HB CYS 21 2HB CYS 21 11.310 1.204 0.556 152 H SER 22 H SER 22 11.428 -1.172 2.674 153 HA SER 22 HA SER 22 11.258 -3.034 0.549 154 1HB SER 22 1HB SER 22 12.790 -4.335 2.110 155 2HB SER 22 2HB SER 22 13.365 -2.758 1.558 156 HG SER 22 HG SER 22 13.567 -2.320 3.542 157 H ARG 23 H ARG 23 9.367 -2.500 3.351 158 HA ARG 23 HA ARG 23 8.609 -5.288 3.502 159 1HB ARG 23 1HB ARG 23 7.688 -2.947 5.165 160 2HB ARG 23 2HB ARG 23 7.052 -4.574 5.337 161 1HG ARG 23 1HG ARG 23 9.329 -5.359 5.887 162 2HG ARG 23 2HG ARG 23 9.888 -3.687 5.819 163 1HD ARG 23 1HD ARG 23 8.232 -3.111 7.580 164 2HD ARG 23 2HD ARG 23 7.804 -4.816 7.681 165 HE ARG 23 HE ARG 23 10.425 -4.915 8.069 166 1HH1 ARG 23 1HH1 ARG 23 7.934 -2.905 9.617 167 2HH1 ARG 23 2HH1 ARG 23 8.817 -2.650 11.026 168 1HH2 ARG 23 1HH2 ARG 23 11.622 -4.583 10.031 169 2HH2 ARG 23 2HH2 ARG 23 10.969 -3.629 11.299 170 H ILE 24 H ILE 24 7.800 -2.688 1.667 171 HA ILE 24 HA ILE 24 4.977 -2.982 1.544 172 HB ILE 24 HB ILE 24 6.880 -1.868 -0.553 173 1HG1 ILE 24 1HG1 ILE 24 6.879 -0.673 1.654 174 2HG1 ILE 24 2HG1 ILE 24 6.365 0.331 0.303 175 1HG2 ILE 24 1HG2 ILE 24 4.835 -2.549 -1.565 176 2HG2 ILE 24 2HG2 ILE 24 4.844 -0.775 -1.479 177 3HG2 ILE 24 3HG2 ILE 24 3.906 -1.740 -0.322 178 1HD1 ILE 24 1HD1 ILE 24 4.565 -0.962 2.363 179 2HD1 ILE 24 2HD1 ILE 24 4.060 0.066 1.000 180 3HD1 ILE 24 3HD1 ILE 24 5.034 0.743 2.284 181 H LYS 25 H LYS 25 3.923 -4.598 0.749 182 HA LYS 25 HA LYS 25 5.205 -6.678 -0.844 183 1HB LYS 25 1HB LYS 25 3.587 -6.826 1.196 184 2HB LYS 25 2HB LYS 25 2.351 -6.472 0.029 185 1HG LYS 25 1HG LYS 25 4.136 -8.912 0.033 186 2HG LYS 25 2HG LYS 25 2.454 -8.860 0.529 187 1HD LYS 25 1HD LYS 25 1.867 -8.215 -1.812 188 2HD LYS 25 2HD LYS 25 3.564 -8.442 -2.244 189 1HE LYS 25 1HE LYS 25 1.648 -10.517 -1.190 190 2HE LYS 25 2HE LYS 25 2.404 -10.460 -2.783 191 1HZ LYS 25 1HZ LYS 25 4.573 -10.770 -1.683 192 2HZ LYS 25 2HZ LYS 25 3.558 -12.059 -1.365 193 3HZ LYS 25 3HZ LYS 25 3.810 -10.894 -0.202 194 H THR 26 H THR 26 2.264 -4.665 -0.918 195 HA THR 26 HA THR 26 2.514 -3.891 -3.610 196 HB THR 26 HB THR 26 1.672 -6.233 -3.937 197 HG1 THR 26 HG1 THR 26 -0.288 -5.569 -5.129 198 1HG2 THR 26 1HG2 THR 26 0.406 -6.498 -1.856 199 2HG2 THR 26 2HG2 THR 26 -0.630 -6.811 -3.251 200 3HG2 THR 26 3HG2 THR 26 -0.750 -5.276 -2.394 201 H TYR 27 H TYR 27 0.468 -2.550 -4.148 202 HA TYR 27 HA TYR 27 -0.815 -1.656 -1.660 203 1HB TYR 27 1HB TYR 27 -0.503 0.704 -2.122 204 2HB TYR 27 2HB TYR 27 1.068 -0.008 -2.248 205 HD1 TYR 27 HD1 TYR 27 2.241 -0.017 -4.324 206 HD2 TYR 27 HD2 TYR 27 -1.741 1.381 -4.090 207 HE1 TYR 27 HE1 TYR 27 2.437 1.012 -6.599 208 HE2 TYR 27 HE2 TYR 27 -1.576 2.365 -6.274 209 HH TYR 27 HH TYR 27 0.957 1.640 -8.411 210 H THR 28 H THR 28 -2.745 -0.486 -1.990 211 HA THR 28 HA THR 28 -3.964 -0.581 -4.626 212 HB THR 28 HB THR 28 -5.305 -1.534 -2.112 213 HG1 THR 28 HG1 THR 28 -3.723 -2.786 -3.901 214 1HG2 THR 28 1HG2 THR 28 -7.137 -2.239 -3.633 215 2HG2 THR 28 2HG2 THR 28 -6.256 -1.520 -4.982 216 3HG2 THR 28 3HG2 THR 28 -6.859 -0.496 -3.677 217 H ILE 29 H ILE 29 -4.698 1.430 -4.996 218 HA ILE 29 HA ILE 29 -5.057 3.230 -2.721 219 HB ILE 29 HB ILE 29 -5.026 3.858 -5.698 220 1HG1 ILE 29 1HG1 ILE 29 -2.926 4.395 -3.558 221 2HG1 ILE 29 2HG1 ILE 29 -2.810 3.194 -4.831 222 1HG2 ILE 29 1HG2 ILE 29 -4.942 6.221 -5.037 223 2HG2 ILE 29 2HG2 ILE 29 -5.140 5.752 -3.348 224 3HG2 ILE 29 3HG2 ILE 29 -6.434 5.445 -4.505 225 1HD1 ILE 29 1HD1 ILE 29 -2.942 6.166 -5.186 226 2HD1 ILE 29 2HD1 ILE 29 -2.816 4.982 -6.495 227 3HD1 ILE 29 3HD1 ILE 29 -1.502 5.156 -5.322 228 H THR 30 H THR 30 -7.006 3.953 -2.054 229 HA THR 30 HA THR 30 -9.316 2.960 -3.529 230 HB THR 30 HB THR 30 -10.573 3.452 -1.418 231 HG1 THR 30 HG1 THR 30 -7.968 3.875 -0.336 232 1HG2 THR 30 1HG2 THR 30 -9.661 1.562 -0.123 233 2HG2 THR 30 2HG2 THR 30 -8.190 1.612 -1.095 234 3HG2 THR 30 3HG2 THR 30 -9.727 1.186 -1.843 235 H GLU 31 H GLU 31 -10.623 4.334 -4.528 236 HA GLU 31 HA GLU 31 -10.056 7.175 -4.164 237 1HB GLU 31 1HB GLU 31 -11.250 5.739 -6.513 238 2HB GLU 31 2HB GLU 31 -10.940 7.461 -6.417 239 1HG GLU 31 1HG GLU 31 -8.544 6.995 -6.235 240 2HG GLU 31 2HG GLU 31 -8.888 5.266 -6.378 241 H GLY 32 H GLY 32 -11.607 8.489 -3.505 242 1HA GLY 32 1HA GLY 32 -14.299 8.260 -4.150 243 2HA GLY 32 2HA GLY 32 -14.023 7.760 -2.474 244 H SER 33 H SER 33 -14.377 9.326 -1.205 245 HA SER 33 HA SER 33 -13.607 12.058 -1.941 246 1HB SER 33 1HB SER 33 -15.254 11.065 0.396 247 2HB SER 33 2HB SER 33 -14.974 12.760 -0.010 248 HG SER 33 HG SER 33 -16.979 11.763 -0.754 249 H LEU 34 H LEU 34 -13.059 9.491 0.346 250 HA LEU 34 HA LEU 34 -10.730 10.950 1.311 251 1HB LEU 34 1HB LEU 34 -12.359 10.290 3.080 252 2HB LEU 34 2HB LEU 34 -12.228 8.620 2.588 253 HG LEU 34 HG LEU 34 -10.016 10.241 3.785 254 1HD1 LEU 34 1HD1 LEU 34 -11.885 8.247 5.082 255 2HD1 LEU 34 2HD1 LEU 34 -11.826 9.987 5.390 256 3HD1 LEU 34 3HD1 LEU 34 -10.469 8.961 5.854 257 1HD2 LEU 34 1HD2 LEU 34 -9.188 8.322 2.512 258 2HD2 LEU 34 2HD2 LEU 34 -10.273 7.252 3.399 259 3HD2 LEU 34 3HD2 LEU 34 -8.954 8.066 4.241 260 H ARG 35 H ARG 35 -9.047 10.376 0.146 261 HA ARG 35 HA ARG 35 -8.971 7.751 -1.101 262 1HB ARG 35 1HB ARG 35 -8.505 9.654 -2.544 263 2HB ARG 35 2HB ARG 35 -7.234 10.201 -1.461 264 1HG ARG 35 1HG ARG 35 -5.911 8.232 -1.985 265 2HG ARG 35 2HG ARG 35 -7.208 7.617 -3.008 266 1HD ARG 35 1HD ARG 35 -5.708 10.197 -3.451 267 2HD ARG 35 2HD ARG 35 -5.404 8.687 -4.308 268 HE ARG 35 HE ARG 35 -8.107 9.330 -4.573 269 1HH1 ARG 35 1HH1 ARG 35 -4.977 10.612 -5.664 270 2HH1 ARG 35 2HH1 ARG 35 -5.602 11.241 -7.109 271 1HH2 ARG 35 1HH2 ARG 35 -8.925 10.207 -6.555 272 2HH2 ARG 35 2HH2 ARG 35 -7.896 11.018 -7.632 273 H ALA 36 H ALA 36 -7.970 6.163 -0.167 274 HA ALA 36 HA ALA 36 -5.652 6.756 1.537 275 1HB ALA 36 1HB ALA 36 -6.319 4.912 2.996 276 2HB ALA 36 2HB ALA 36 -7.763 4.651 2.014 277 3HB ALA 36 3HB ALA 36 -7.578 6.147 2.930 278 H VAL 37 H VAL 37 -3.873 5.434 1.189 279 HA VAL 37 HA VAL 37 -4.287 3.439 -0.853 280 HB VAL 37 HB VAL 37 -2.673 5.102 -1.555 281 1HG1 VAL 37 1HG1 VAL 37 -1.152 4.477 0.952 282 2HG1 VAL 37 2HG1 VAL 37 -1.977 5.988 0.579 283 3HG1 VAL 37 3HG1 VAL 37 -0.569 5.492 -0.361 284 1HG2 VAL 37 1HG2 VAL 37 -2.224 2.813 -2.237 285 2HG2 VAL 37 2HG2 VAL 37 -1.281 2.554 -0.767 286 3HG2 VAL 37 3HG2 VAL 37 -0.718 3.697 -1.984 287 H ILE 38 H ILE 38 -4.279 1.432 -0.278 288 HA ILE 38 HA ILE 38 -3.401 0.710 2.392 289 HB ILE 38 HB ILE 38 -4.938 -0.881 0.308 290 1HG1 ILE 38 1HG1 ILE 38 -5.852 0.409 2.892 291 2HG1 ILE 38 2HG1 ILE 38 -6.265 0.934 1.263 292 1HG2 ILE 38 1HG2 ILE 38 -5.331 -2.547 2.079 293 2HG2 ILE 38 2HG2 ILE 38 -4.268 -1.639 3.156 294 3HG2 ILE 38 3HG2 ILE 38 -3.615 -2.384 1.697 295 1HD1 ILE 38 1HD1 ILE 38 -7.062 -1.683 2.534 296 2HD1 ILE 38 2HD1 ILE 38 -7.494 -1.156 0.908 297 3HD1 ILE 38 3HD1 ILE 38 -8.101 -0.274 2.314 298 H PHE 39 H PHE 39 -1.604 -0.315 2.740 299 HA PHE 39 HA PHE 39 -0.148 -1.477 0.480 300 1HB PHE 39 1HB PHE 39 0.883 -0.180 2.985 301 2HB PHE 39 2HB PHE 39 1.876 -1.190 1.946 302 HD1 PHE 39 HD1 PHE 39 0.333 2.010 2.407 303 HD2 PHE 39 HD2 PHE 39 2.361 -0.514 -0.305 304 HE1 PHE 39 HE1 PHE 39 0.827 3.925 0.993 305 HE2 PHE 39 HE2 PHE 39 2.873 1.394 -1.736 306 HZ PHE 39 HZ PHE 39 2.112 3.590 -1.119 307 H ILE 40 H ILE 40 0.193 -3.509 0.605 308 HA ILE 40 HA ILE 40 -0.468 -4.825 3.103 309 HB ILE 40 HB ILE 40 0.452 -6.128 0.515 310 1HG1 ILE 40 1HG1 ILE 40 -1.554 -4.814 0.029 311 2HG1 ILE 40 2HG1 ILE 40 -1.919 -6.527 -0.007 312 1HG2 ILE 40 1HG2 ILE 40 -1.080 -7.103 2.898 313 2HG2 ILE 40 2HG2 ILE 40 0.593 -7.519 2.512 314 3HG2 ILE 40 3HG2 ILE 40 -0.732 -8.100 1.479 315 1HD1 ILE 40 1HD1 ILE 40 -3.706 -5.260 1.086 316 2HD1 ILE 40 2HD1 ILE 40 -2.557 -4.644 2.276 317 3HD1 ILE 40 3HD1 ILE 40 -2.929 -6.363 2.221 318 H THR 41 H THR 41 1.108 -5.693 4.372 319 HA THR 41 HA THR 41 3.820 -4.951 3.663 320 HB THR 41 HB THR 41 3.111 -4.419 5.972 321 HG1 THR 41 HG1 THR 41 4.839 -5.472 7.067 322 1HG2 THR 41 1HG2 THR 41 2.804 -7.403 6.316 323 2HG2 THR 41 2HG2 THR 41 1.493 -6.225 6.289 324 3HG2 THR 41 3HG2 THR 41 2.670 -6.205 7.603 325 H LYS 42 H LYS 42 5.525 -6.543 4.043 326 HA LYS 42 HA LYS 42 5.153 -8.783 2.386 327 1HB LYS 42 1HB LYS 42 7.233 -7.521 2.614 328 2HB LYS 42 2HB LYS 42 7.438 -8.137 4.243 329 1HG LYS 42 1HG LYS 42 7.681 -10.372 3.429 330 2HG LYS 42 2HG LYS 42 7.310 -9.845 1.786 331 1HD LYS 42 1HD LYS 42 9.673 -8.943 3.410 332 2HD LYS 42 2HD LYS 42 9.725 -10.198 2.158 333 1HE LYS 42 1HE LYS 42 8.962 -8.521 0.506 334 2HE LYS 42 2HE LYS 42 9.008 -7.279 1.755 335 1HZ LYS 42 1HZ LYS 42 11.424 -7.685 1.957 336 2HZ LYS 42 2HZ LYS 42 10.989 -7.213 0.412 337 3HZ LYS 42 3HZ LYS 42 11.310 -8.825 0.721 338 H ARG 43 H ARG 43 4.599 -8.392 5.711 339 HA ARG 43 HA ARG 43 4.837 -11.163 6.454 340 1HB ARG 43 1HB ARG 43 4.946 -9.287 8.125 341 2HB ARG 43 2HB ARG 43 3.240 -8.979 7.832 342 1HG ARG 43 1HG ARG 43 2.748 -11.296 8.595 343 2HG ARG 43 2HG ARG 43 4.450 -11.468 9.016 344 1HD ARG 43 1HD ARG 43 2.514 -9.464 10.165 345 2HD ARG 43 2HD ARG 43 3.102 -10.913 10.970 346 HE ARG 43 HE ARG 43 5.265 -9.274 10.187 347 1HH1 ARG 43 1HH1 ARG 43 2.688 -9.518 12.627 348 2HH1 ARG 43 2HH1 ARG 43 3.472 -8.540 13.766 349 1HH2 ARG 43 1HH2 ARG 43 6.376 -7.977 11.768 350 2HH2 ARG 43 2HH2 ARG 43 5.644 -7.647 13.269 351 H GLY 44 H GLY 44 2.546 -9.327 4.686 352 1HA GLY 44 1HA GLY 44 0.806 -10.324 3.478 353 2HA GLY 44 2HA GLY 44 0.704 -11.598 4.680 354 H LEU 45 H LEU 45 0.954 -8.589 6.099 355 HA LEU 45 HA LEU 45 -1.915 -8.594 6.705 356 1HB LEU 45 1HB LEU 45 0.369 -7.186 8.046 357 2HB LEU 45 2HB LEU 45 -1.303 -7.012 8.513 358 HG LEU 45 HG LEU 45 0.287 -9.539 8.595 359 1HD1 LEU 45 1HD1 LEU 45 -0.722 -7.710 10.755 360 2HD1 LEU 45 2HD1 LEU 45 0.965 -7.889 10.268 361 3HD1 LEU 45 3HD1 LEU 45 0.110 -9.239 11.040 362 1HD2 LEU 45 1HD2 LEU 45 -2.066 -10.006 8.190 363 2HD2 LEU 45 2HD2 LEU 45 -2.520 -8.965 9.539 364 3HD2 LEU 45 3HD2 LEU 45 -1.634 -10.456 9.837 365 H LYS 46 H LYS 46 -3.044 -6.613 6.704 366 HA LYS 46 HA LYS 46 -1.994 -4.897 4.598 367 1HB LYS 46 1HB LYS 46 -4.264 -3.937 4.290 368 2HB LYS 46 2HB LYS 46 -4.142 -5.660 3.995 369 1HG LYS 46 1HG LYS 46 -5.064 -4.717 6.649 370 2HG LYS 46 2HG LYS 46 -6.153 -4.648 5.261 371 1HD LYS 46 1HD LYS 46 -4.640 -7.091 6.092 372 2HD LYS 46 2HD LYS 46 -6.317 -6.786 6.612 373 1HE LYS 46 1HE LYS 46 -6.923 -6.687 4.188 374 2HE LYS 46 2HE LYS 46 -5.277 -7.130 3.780 375 1HZ LYS 46 1HZ LYS 46 -7.136 -8.757 5.387 376 2HZ LYS 46 2HZ LYS 46 -5.575 -9.230 4.948 377 3HZ LYS 46 3HZ LYS 46 -6.772 -9.019 3.765 378 H VAL 47 H VAL 47 -1.647 -2.935 4.748 379 HA VAL 47 HA VAL 47 -2.127 -1.625 7.300 380 HB VAL 47 HB VAL 47 0.297 -1.210 5.499 381 1HG1 VAL 47 1HG1 VAL 47 -0.277 -0.057 8.229 382 2HG1 VAL 47 2HG1 VAL 47 -0.310 0.817 6.703 383 3HG1 VAL 47 3HG1 VAL 47 1.212 0.165 7.306 384 1HG2 VAL 47 1HG2 VAL 47 1.620 -2.282 7.282 385 2HG2 VAL 47 2HG2 VAL 47 0.417 -3.383 6.613 386 3HG2 VAL 47 3HG2 VAL 47 0.137 -2.610 8.174 387 H CYS 48 H CYS 48 -2.626 0.650 7.072 388 HA CYS 48 HA CYS 48 -3.376 1.398 4.330 389 1HB CYS 48 1HB CYS 48 -4.755 2.132 6.925 390 2HB CYS 48 2HB CYS 48 -5.296 2.542 5.299 391 H ALA 49 H ALA 49 -2.510 3.313 3.681 392 HA ALA 49 HA ALA 49 -1.141 4.877 5.715 393 1HB ALA 49 1HB ALA 49 0.063 4.060 3.089 394 2HB ALA 49 2HB ALA 49 0.443 3.334 4.647 395 3HB ALA 49 3HB ALA 49 0.836 5.026 4.344 396 H ASP 50 H ASP 50 -0.583 6.944 5.186 397 HA ASP 50 HA ASP 50 -2.660 8.426 3.901 398 1HB ASP 50 1HB ASP 50 -1.491 9.129 5.953 399 2HB ASP 50 2HB ASP 50 0.004 9.244 5.047 400 HA PRO 51 HA PRO 51 -0.547 8.082 -0.101 401 1HB PRO 51 1HB PRO 51 -2.561 9.959 -1.101 402 2HB PRO 51 2HB PRO 51 -2.265 8.285 -1.573 403 1HG PRO 51 1HG PRO 51 -4.441 8.997 -0.169 404 2HG PRO 51 2HG PRO 51 -3.634 7.439 0.080 405 1HD PRO 51 1HD PRO 51 -3.468 9.943 1.716 406 2HD PRO 51 2HD PRO 51 -3.612 8.245 2.231 407 H GLN 52 H GLN 52 -1.073 11.040 1.610 408 HA GLN 52 HA GLN 52 0.552 12.404 -0.350 409 1HB GLN 52 1HB GLN 52 -0.084 14.532 0.822 410 2HB GLN 52 2HB GLN 52 -1.405 13.676 0.058 411 1HG GLN 52 1HG GLN 52 -2.098 12.829 2.247 412 2HG GLN 52 2HG GLN 52 -0.760 13.698 2.991 413 1HE2 GLN 52 1HE2 GLN 52 -2.155 14.924 4.244 414 2HE2 GLN 52 2HE2 GLN 52 -3.128 16.182 3.587 415 H ALA 53 H ALA 53 1.118 10.588 2.171 416 HA ALA 53 HA ALA 53 3.281 12.067 3.390 417 1HB ALA 53 1HB ALA 53 2.732 9.096 3.310 418 2HB ALA 53 2HB ALA 53 2.172 10.196 4.566 419 3HB ALA 53 3HB ALA 53 3.901 9.907 4.350 420 H THR 54 H THR 54 5.287 12.244 2.790 421 HA THR 54 HA THR 54 5.964 11.940 0.102 422 HB THR 54 HB THR 54 7.828 12.258 2.469 423 HG1 THR 54 HG1 THR 54 7.366 14.452 2.321 424 1HG2 THR 54 1HG2 THR 54 9.223 13.478 0.850 425 2HG2 THR 54 2HG2 THR 54 8.023 13.192 -0.408 426 3HG2 THR 54 3HG2 THR 54 8.915 11.835 0.284 427 H TRP 55 H TRP 55 6.552 9.901 2.868 428 HA TRP 55 HA TRP 55 8.415 8.258 1.419 429 1HB TRP 55 1HB TRP 55 8.465 6.746 3.300 430 2HB TRP 55 2HB TRP 55 8.387 8.380 3.931 431 HD1 TRP 55 HD1 TRP 55 6.150 9.089 5.088 432 HE1 TRP 55 HE1 TRP 55 4.276 7.682 6.229 433 HE3 TRP 55 HE3 TRP 55 7.232 4.574 3.063 434 HZ2 TRP 55 HZ2 TRP 55 3.439 5.068 6.227 435 HZ3 TRP 55 HZ3 TRP 55 5.842 2.635 3.657 436 HH2 TRP 55 HH2 TRP 55 3.976 2.860 5.201 437 H VAL 56 H VAL 56 5.012 8.209 2.007 438 HA VAL 56 HA VAL 56 4.468 5.656 0.956 439 HB VAL 56 HB VAL 56 2.675 8.091 1.281 440 1HG1 VAL 56 1HG1 VAL 56 1.824 6.788 -0.558 441 2HG1 VAL 56 2HG1 VAL 56 0.805 6.529 0.868 442 3HG1 VAL 56 3HG1 VAL 56 2.000 5.317 0.381 443 1HG2 VAL 56 1HG2 VAL 56 1.714 6.799 3.090 444 2HG2 VAL 56 2HG2 VAL 56 3.450 7.015 3.337 445 3HG2 VAL 56 3HG2 VAL 56 2.827 5.475 2.752 446 H ARG 57 H ARG 57 4.479 8.888 -0.383 447 HA ARG 57 HA ARG 57 3.740 8.192 -2.959 448 1HB ARG 57 1HB ARG 57 5.452 10.470 -2.000 449 2HB ARG 57 2HB ARG 57 4.906 10.295 -3.668 450 1HG ARG 57 1HG ARG 57 2.627 10.237 -2.910 451 2HG ARG 57 2HG ARG 57 3.147 10.496 -1.254 452 1HD ARG 57 1HD ARG 57 4.062 12.656 -1.820 453 2HD ARG 57 2HD ARG 57 3.703 12.400 -3.530 454 HE ARG 57 HE ARG 57 1.317 12.098 -2.272 455 1HH1 ARG 57 1HH1 ARG 57 3.693 14.713 -2.373 456 2HH1 ARG 57 2HH1 ARG 57 2.547 15.968 -2.299 457 1HH2 ARG 57 1HH2 ARG 57 -0.262 13.798 -2.167 458 2HH2 ARG 57 2HH2 ARG 57 0.206 15.434 -2.146 459 H ASP 58 H ASP 58 6.891 8.207 -1.458 460 HA ASP 58 HA ASP 58 8.369 7.473 -3.705 461 1HB ASP 58 1HB ASP 58 8.823 6.857 -0.796 462 2HB ASP 58 2HB ASP 58 9.952 6.434 -2.065 463 H CYS 59 H CYS 59 6.692 5.431 -1.336 464 HA CYS 59 HA CYS 59 7.660 3.036 -2.605 465 1HB CYS 59 1HB CYS 59 5.577 3.340 -0.499 466 2HB CYS 59 2HB CYS 59 6.286 1.852 -1.112 467 H VAL 60 H VAL 60 4.560 4.718 -2.525 468 HA VAL 60 HA VAL 60 3.126 2.702 -3.876 469 HB VAL 60 HB VAL 60 2.225 4.738 -2.560 470 1HG1 VAL 60 1HG1 VAL 60 3.401 6.468 -3.717 471 2HG1 VAL 60 2HG1 VAL 60 1.637 6.707 -3.827 472 3HG1 VAL 60 3HG1 VAL 60 2.537 6.032 -5.200 473 1HG2 VAL 60 1HG2 VAL 60 0.146 4.890 -3.814 474 2HG2 VAL 60 2HG2 VAL 60 0.715 3.240 -3.637 475 3HG2 VAL 60 3HG2 VAL 60 0.916 4.083 -5.179 476 H ARG 61 H ARG 61 5.297 5.133 -4.766 477 HA ARG 61 HA ARG 61 4.732 4.695 -7.558 478 1HB ARG 61 1HB ARG 61 6.459 6.809 -6.306 479 2HB ARG 61 2HB ARG 61 6.489 6.506 -8.038 480 1HG ARG 61 1HG ARG 61 4.046 7.283 -6.443 481 2HG ARG 61 2HG ARG 61 4.988 8.361 -7.477 482 1HD ARG 61 1HD ARG 61 4.446 6.960 -9.433 483 2HD ARG 61 2HD ARG 61 3.534 5.869 -8.411 484 HE ARG 61 HE ARG 61 2.405 8.307 -8.002 485 1HH1 ARG 61 1HH1 ARG 61 2.930 6.217 -10.840 486 2HH1 ARG 61 2HH1 ARG 61 1.543 6.756 -11.654 487 1HH2 ARG 61 1HH2 ARG 61 0.479 9.006 -9.152 488 2HH2 ARG 61 2HH2 ARG 61 0.133 8.366 -10.685 489 H SER 62 H SER 62 7.122 3.832 -5.265 490 HA SER 62 HA SER 62 9.018 2.811 -7.050 491 1HB SER 62 1HB SER 62 9.419 3.014 -4.585 492 2HB SER 62 2HB SER 62 8.242 1.734 -4.308 493 HG SER 62 HG SER 62 10.052 0.603 -4.364 494 H MET 63 H MET 63 6.139 1.325 -5.573 495 HA MET 63 HA MET 63 6.394 -1.147 -6.961 496 1HB MET 63 1HB MET 63 3.955 0.133 -5.734 497 2HB MET 63 2HB MET 63 4.004 -1.526 -6.316 498 1HG MET 63 1HG MET 63 5.600 -0.345 -4.052 499 2HG MET 63 2HG MET 63 4.212 -1.419 -3.904 500 1HE MET 63 1HE MET 63 5.687 -4.756 -5.424 501 2HE MET 63 2HE MET 63 4.841 -3.492 -6.315 502 3HE MET 63 3HE MET 63 4.259 -3.993 -4.726 503 H ASP 64 H ASP 64 4.810 1.867 -7.661 504 HA ASP 64 HA ASP 64 3.420 1.169 -10.002 505 1HB ASP 64 1HB ASP 64 3.126 3.318 -8.792 506 2HB ASP 64 2HB ASP 64 4.767 3.756 -9.243 507 H ARG 65 H ARG 65 6.722 2.177 -9.416 508 HA ARG 65 HA ARG 65 7.640 2.337 -12.110 509 1HB ARG 65 1HB ARG 65 8.677 3.419 -10.100 510 2HB ARG 65 2HB ARG 65 9.186 1.833 -9.570 511 1HG ARG 65 1HG ARG 65 10.591 1.624 -11.558 512 2HG ARG 65 2HG ARG 65 10.079 3.237 -12.077 513 1HD ARG 65 1HD ARG 65 10.960 4.157 -9.961 514 2HD ARG 65 2HD ARG 65 11.531 2.548 -9.530 515 HE ARG 65 HE ARG 65 12.446 3.670 -12.032 516 1HH1 ARG 65 1HH1 ARG 65 13.168 2.877 -8.651 517 2HH1 ARG 65 2HH1 ARG 65 14.836 3.129 -8.786 518 1HH2 ARG 65 1HH2 ARG 65 14.773 4.025 -12.237 519 2HH2 ARG 65 2HH2 ARG 65 15.772 3.800 -10.890 520 H LYS 66 H LYS 66 7.401 -0.231 -9.761 521 HA LYS 66 HA LYS 66 8.933 -2.159 -11.220 522 1HB LYS 66 1HB LYS 66 6.812 -2.580 -9.103 523 2HB LYS 66 2HB LYS 66 7.932 -3.801 -9.684 524 1HG LYS 66 1HG LYS 66 9.800 -2.559 -8.752 525 2HG LYS 66 2HG LYS 66 8.701 -1.283 -8.227 526 1HD LYS 66 1HD LYS 66 7.518 -2.935 -6.811 527 2HD LYS 66 2HD LYS 66 8.691 -4.150 -7.308 528 1HE LYS 66 1HE LYS 66 10.487 -2.879 -6.301 529 2HE LYS 66 2HE LYS 66 9.364 -1.585 -5.882 530 1HZ LYS 66 1HZ LYS 66 9.261 -4.364 -4.807 531 2HZ LYS 66 2HZ LYS 66 8.199 -3.126 -4.413 532 3HZ LYS 66 3HZ LYS 66 9.803 -3.009 -3.976 533 H SER 67 H SER 67 5.819 -0.846 -11.502 534 HA SER 67 HA SER 67 4.711 -3.138 -12.866 535 1HB SER 67 1HB SER 67 3.532 -0.415 -12.300 536 2HB SER 67 2HB SER 67 2.645 -1.813 -12.927 537 HG SER 67 HG SER 67 3.994 -1.683 -10.409 538 H ASN 68 H ASN 68 6.599 -0.455 -13.642 539 HA ASN 68 HA ASN 68 5.631 0.052 -16.274 540 1HB ASN 68 1HB ASN 68 8.375 0.560 -15.067 541 2HB ASN 68 2HB ASN 68 7.926 1.038 -16.691 542 1HD2 ASN 68 1HD2 ASN 68 8.278 3.213 -16.266 543 2HD2 ASN 68 2HD2 ASN 68 7.229 4.146 -15.262 544 H THR 69 H THR 69 8.127 -1.970 -14.911 545 HA THR 69 HA THR 69 8.627 -3.191 -17.470 546 HB THR 69 HB THR 69 10.559 -2.695 -16.071 547 HG1 THR 69 HG1 THR 69 10.911 -5.300 -15.755 548 1HG2 THR 69 1HG2 THR 69 10.924 -3.922 -13.960 549 2HG2 THR 69 2HG2 THR 69 9.291 -4.608 -14.164 550 3HG2 THR 69 3HG2 THR 69 9.494 -2.868 -13.935 551 H ARG 70 H ARG 70 8.325 -5.441 -17.832 552 HA ARG 70 HA ARG 70 6.035 -6.305 -16.312 553 1HB ARG 70 1HB ARG 70 6.927 -7.152 -19.063 554 2HB ARG 70 2HB ARG 70 5.622 -7.937 -18.193 555 1HG ARG 70 1HG ARG 70 4.671 -6.388 -19.764 556 2HG ARG 70 2HG ARG 70 4.416 -5.774 -18.129 557 1HD ARG 70 1HD ARG 70 5.045 -3.966 -19.634 558 2HD ARG 70 2HD ARG 70 6.301 -4.236 -18.428 559 HE ARG 70 HE ARG 70 6.786 -5.706 -20.801 560 1HH1 ARG 70 1HH1 ARG 70 7.118 -2.422 -19.399 561 2HH1 ARG 70 2HH1 ARG 70 8.321 -1.948 -20.490 562 1HH2 ARG 70 1HH2 ARG 70 8.472 -5.022 -22.267 563 2HH2 ARG 70 2HH2 ARG 70 9.128 -3.448 -22.141 564 H ASN 71 H ASN 71 7.016 -6.984 -14.591 565 HA ASN 71 HA ASN 71 7.439 -9.745 -14.424 566 1HB ASN 71 1HB ASN 71 9.740 -9.230 -15.201 567 2HB ASN 71 2HB ASN 71 9.908 -8.042 -13.912 568 1HD2 ASN 71 1HD2 ASN 71 11.631 -9.078 -12.913 569 2HD2 ASN 71 2HD2 ASN 71 11.452 -10.592 -12.096 570 H ASN 72 H ASN 72 5.911 -9.633 -12.881 571 HA ASN 72 HA ASN 72 6.642 -8.069 -10.527 572 1HB ASN 72 1HB ASN 72 3.859 -8.669 -11.562 573 2HB ASN 72 2HB ASN 72 4.197 -7.918 -10.009 574 1HD2 ASN 72 1HD2 ASN 72 6.432 -6.331 -11.059 575 2HD2 ASN 72 2HD2 ASN 72 5.766 -5.078 -12.012 576 H MET 73 H MET 73 7.514 -9.403 -9.185 577 HA MET 73 HA MET 73 6.638 -12.133 -9.002 578 1HB MET 73 1HB MET 73 9.037 -11.604 -8.814 579 2HB MET 73 2HB MET 73 8.715 -10.637 -7.384 580 1HG MET 73 1HG MET 73 7.923 -12.650 -6.211 581 2HG MET 73 2HG MET 73 8.292 -13.610 -7.639 582 1HE MET 73 1HE MET 73 11.053 -14.747 -5.118 583 2HE MET 73 2HE MET 73 9.763 -15.264 -6.200 584 3HE MET 73 3HE MET 73 9.377 -14.331 -4.755 585 H ILE 74 H ILE 74 4.608 -12.135 -8.176 586 HA ILE 74 HA ILE 74 4.252 -10.884 -5.596 587 HB ILE 74 HB ILE 74 1.818 -11.456 -5.869 588 1HG1 ILE 74 1HG1 ILE 74 2.627 -12.156 -8.711 589 2HG1 ILE 74 2HG1 ILE 74 2.070 -13.308 -7.505 590 1HG2 ILE 74 1HG2 ILE 74 2.623 -9.231 -6.353 591 2HG2 ILE 74 2HG2 ILE 74 1.365 -9.667 -7.508 592 3HG2 ILE 74 3HG2 ILE 74 3.059 -9.716 -7.989 593 1HD1 ILE 74 1HD1 ILE 74 0.458 -11.048 -8.676 594 2HD1 ILE 74 2HD1 ILE 74 -0.113 -12.210 -7.473 595 3HD1 ILE 74 3HD1 ILE 74 0.315 -12.755 -9.094 596 H GLN 75 H GLN 75 5.216 -12.114 -4.173 597 HA GLN 75 HA GLN 75 4.125 -14.774 -3.766 598 1HB GLN 75 1HB GLN 75 6.243 -14.955 -5.122 599 2HB GLN 75 2HB GLN 75 7.095 -14.193 -3.788 600 1HG GLN 75 1HG GLN 75 7.390 -16.598 -3.743 601 2HG GLN 75 2HG GLN 75 6.482 -16.050 -2.330 602 1HE2 GLN 75 1HE2 GLN 75 6.309 -17.709 -5.368 603 2HE2 GLN 75 2HE2 GLN 75 4.780 -18.470 -5.096 Start of MODEL 2 1 1H GLY 2 1H GLY 2 -5.111 -5.859 16.587 2 1HA GLY 2 1HA GLY 2 -5.531 -6.406 13.788 3 2HA GLY 2 2HA GLY 2 -7.004 -6.251 14.736 4 H SER 3 H SER 3 -4.023 -4.486 15.284 5 HA SER 3 HA SER 3 -5.569 -2.038 14.933 6 1HB SER 3 1HB SER 3 -2.857 -2.420 16.202 7 2HB SER 3 2HB SER 3 -3.817 -0.942 16.210 8 HG SER 3 HG SER 3 -5.491 -2.354 17.216 9 H GLU 4 H GLU 4 -2.530 -3.561 13.855 10 HA GLU 4 HA GLU 4 -1.924 -1.352 12.119 11 1HB GLU 4 1HB GLU 4 -0.697 -4.103 12.304 12 2HB GLU 4 2HB GLU 4 -0.083 -2.794 11.308 13 1HG GLU 4 1HG GLU 4 0.306 -1.458 13.323 14 2HG GLU 4 2HG GLU 4 -0.283 -2.799 14.305 15 H VAL 5 H VAL 5 -3.668 -4.256 11.947 16 HA VAL 5 HA VAL 5 -3.746 -4.133 9.062 17 HB VAL 5 HB VAL 5 -3.315 -6.352 9.907 18 1HG1 VAL 5 1HG1 VAL 5 -5.878 -6.147 11.463 19 2HG1 VAL 5 2HG1 VAL 5 -4.240 -6.188 12.121 20 3HG1 VAL 5 3HG1 VAL 5 -4.893 -7.604 11.294 21 1HG2 VAL 5 1HG2 VAL 5 -4.651 -6.251 7.907 22 2HG2 VAL 5 2HG2 VAL 5 -6.135 -6.171 8.858 23 3HG2 VAL 5 3HG2 VAL 5 -5.150 -7.636 8.877 24 H SER 6 H SER 6 -5.073 -2.704 8.327 25 HA SER 6 HA SER 6 -7.647 -2.290 9.595 26 1HB SER 6 1HB SER 6 -6.277 -0.782 7.356 27 2HB SER 6 2HB SER 6 -7.819 -0.339 8.080 28 HG SER 6 HG SER 6 -6.262 0.863 9.047 29 H ASP 7 H ASP 7 -9.320 -3.301 8.912 30 HA ASP 7 HA ASP 7 -9.198 -4.996 6.607 31 1HB ASP 7 1HB ASP 7 -11.434 -5.809 7.442 32 2HB ASP 7 2HB ASP 7 -10.085 -5.999 8.555 33 H LYS 8 H LYS 8 -11.332 -5.306 5.390 34 HA LYS 8 HA LYS 8 -12.822 -4.704 3.892 35 1HB LYS 8 1HB LYS 8 -12.660 -1.921 5.022 36 2HB LYS 8 2HB LYS 8 -13.739 -2.407 3.726 37 1HG LYS 8 1HG LYS 8 -14.777 -4.034 5.272 38 2HG LYS 8 2HG LYS 8 -13.757 -3.396 6.563 39 1HD LYS 8 1HD LYS 8 -15.716 -1.835 4.924 40 2HD LYS 8 2HD LYS 8 -16.017 -2.411 6.576 41 1HE LYS 8 1HE LYS 8 -14.055 -1.018 7.307 42 2HE LYS 8 2HE LYS 8 -13.947 -0.391 5.666 43 1HZ LYS 8 1HZ LYS 8 -16.305 -0.077 7.448 44 2HZ LYS 8 2HZ LYS 8 -16.155 0.562 5.903 45 3HZ LYS 8 3HZ LYS 8 -15.177 1.123 7.130 46 H ARG 9 H ARG 9 -13.159 -3.277 1.951 47 HA ARG 9 HA ARG 9 -10.606 -3.110 0.558 48 1HB ARG 9 1HB ARG 9 -13.439 -2.774 -0.441 49 2HB ARG 9 2HB ARG 9 -12.017 -2.633 -1.460 50 1HG ARG 9 1HG ARG 9 -11.451 -4.963 -0.984 51 2HG ARG 9 2HG ARG 9 -12.881 -5.092 0.043 52 1HD ARG 9 1HD ARG 9 -14.323 -4.651 -1.843 53 2HD ARG 9 2HD ARG 9 -12.928 -4.379 -2.883 54 HE ARG 9 HE ARG 9 -12.670 -6.902 -1.779 55 1HH1 ARG 9 1HH1 ARG 9 -14.933 -5.264 -3.947 56 2HH1 ARG 9 2HH1 ARG 9 -15.266 -6.655 -4.872 57 1HH2 ARG 9 1HH2 ARG 9 -13.119 -8.785 -3.046 58 2HH2 ARG 9 2HH2 ARG 9 -14.219 -8.689 -4.371 59 H THR 10 H THR 10 -12.748 -1.084 2.146 60 HA THR 10 HA THR 10 -11.354 1.249 1.089 61 HB THR 10 HB THR 10 -14.137 1.126 2.303 62 HG1 THR 10 HG1 THR 10 -13.349 1.458 -0.434 63 1HG2 THR 10 1HG2 THR 10 -12.689 3.354 0.836 64 2HG2 THR 10 2HG2 THR 10 -12.988 3.298 2.571 65 3HG2 THR 10 3HG2 THR 10 -14.342 3.427 1.449 66 H CYS 11 H CYS 11 -10.290 2.399 2.644 67 HA CYS 11 HA CYS 11 -10.462 1.306 5.357 68 1HB CYS 11 1HB CYS 11 -8.377 0.889 4.085 69 2HB CYS 11 2HB CYS 11 -8.148 2.628 3.948 70 H VAL 12 H VAL 12 -10.241 2.815 7.097 71 HA VAL 12 HA VAL 12 -10.931 5.553 6.304 72 HB VAL 12 HB VAL 12 -12.288 5.776 8.324 73 1HG1 VAL 12 1HG1 VAL 12 -13.063 3.413 6.638 74 2HG1 VAL 12 2HG1 VAL 12 -13.401 5.116 6.302 75 3HG1 VAL 12 3HG1 VAL 12 -14.142 4.325 7.694 76 1HG2 VAL 12 1HG2 VAL 12 -11.758 2.842 8.777 77 2HG2 VAL 12 2HG2 VAL 12 -12.868 3.844 9.712 78 3HG2 VAL 12 3HG2 VAL 12 -11.137 4.159 9.768 79 H SER 13 H SER 13 -8.465 3.858 7.510 80 HA SER 13 HA SER 13 -7.631 6.043 9.280 81 1HB SER 13 1HB SER 13 -6.184 4.365 10.428 82 2HB SER 13 2HB SER 13 -7.905 4.022 10.591 83 HG SER 13 HG SER 13 -7.694 2.509 8.918 84 H LEU 14 H LEU 14 -5.428 6.708 9.088 85 HA LEU 14 HA LEU 14 -3.910 5.577 6.862 86 1HB LEU 14 1HB LEU 14 -4.402 8.516 7.348 87 2HB LEU 14 2HB LEU 14 -3.296 7.848 6.173 88 HG LEU 14 HG LEU 14 -6.242 7.375 6.131 89 1HD1 LEU 14 1HD1 LEU 14 -4.552 9.311 4.532 90 2HD1 LEU 14 2HD1 LEU 14 -5.739 9.745 5.765 91 3HD1 LEU 14 3HD1 LEU 14 -6.266 8.993 4.256 92 1HD2 LEU 14 1HD2 LEU 14 -4.963 5.663 5.027 93 2HD2 LEU 14 2HD2 LEU 14 -4.083 6.883 4.101 94 3HD2 LEU 14 3HD2 LEU 14 -5.810 6.652 3.842 95 H THR 15 H THR 15 -1.912 5.198 7.523 96 HA THR 15 HA THR 15 -1.138 6.346 10.050 97 HB THR 15 HB THR 15 -0.499 3.899 9.443 98 HG1 THR 15 HG1 THR 15 0.495 5.316 11.085 99 1HG2 THR 15 1HG2 THR 15 1.576 3.587 8.182 100 2HG2 THR 15 2HG2 THR 15 1.689 5.316 7.922 101 3HG2 THR 15 3HG2 THR 15 0.388 4.397 7.143 102 H THR 16 H THR 16 0.313 7.897 10.343 103 HA THR 16 HA THR 16 1.201 9.293 7.950 104 HB THR 16 HB THR 16 1.142 10.236 10.843 105 HG1 THR 16 HG1 THR 16 -0.945 10.401 10.487 106 1HG2 THR 16 1HG2 THR 16 1.315 11.775 8.236 107 2HG2 THR 16 2HG2 THR 16 2.658 11.491 9.340 108 3HG2 THR 16 3HG2 THR 16 1.290 12.477 9.855 109 H GLN 17 H GLN 17 2.219 7.093 10.219 110 HA GLN 17 HA GLN 17 4.933 8.013 10.448 111 1HB GLN 17 1HB GLN 17 3.697 5.402 11.318 112 2HB GLN 17 2HB GLN 17 5.305 5.955 11.746 113 1HG GLN 17 1HG GLN 17 2.676 7.135 12.609 114 2HG GLN 17 2HG GLN 17 3.851 6.276 13.603 115 1HE2 GLN 17 1HE2 GLN 17 2.730 8.908 13.915 116 2HE2 GLN 17 2HE2 GLN 17 4.049 10.011 13.955 117 H ARG 18 H ARG 18 6.645 6.142 9.981 118 HA ARG 18 HA ARG 18 5.976 5.327 7.248 119 1HB ARG 18 1HB ARG 18 8.750 5.791 8.283 120 2HB ARG 18 2HB ARG 18 8.262 5.470 6.638 121 1HG ARG 18 1HG ARG 18 6.948 7.640 6.763 122 2HG ARG 18 2HG ARG 18 7.863 7.958 8.243 123 1HD ARG 18 1HD ARG 18 8.936 7.406 5.525 124 2HD ARG 18 2HD ARG 18 8.951 8.980 6.330 125 HE ARG 18 HE ARG 18 10.289 7.439 8.058 126 1HH1 ARG 18 1HH1 ARG 18 10.761 8.003 4.556 127 2HH1 ARG 18 2HH1 ARG 18 12.404 7.598 4.572 128 1HH2 ARG 18 1HH2 ARG 18 12.618 6.853 8.025 129 2HH2 ARG 18 2HH2 ARG 18 13.465 6.932 6.556 130 H LEU 19 H LEU 19 6.298 3.374 6.588 131 HA LEU 19 HA LEU 19 7.437 1.403 8.418 132 1HB LEU 19 1HB LEU 19 5.587 1.089 6.028 133 2HB LEU 19 2HB LEU 19 6.348 -0.255 6.836 134 HG LEU 19 HG LEU 19 5.052 0.307 8.885 135 1HD1 LEU 19 1HD1 LEU 19 3.604 2.265 7.110 136 2HD1 LEU 19 2HD1 LEU 19 4.620 2.669 8.489 137 3HD1 LEU 19 3HD1 LEU 19 3.113 1.784 8.734 138 1HD2 LEU 19 1HD2 LEU 19 4.303 -1.406 7.354 139 2HD2 LEU 19 2HD2 LEU 19 3.422 -0.205 6.412 140 3HD2 LEU 19 3HD2 LEU 19 2.933 -0.564 8.071 141 HA PRO 20 HA PRO 20 10.960 1.178 5.649 142 1HB PRO 20 1HB PRO 20 10.661 -1.762 5.824 143 2HB PRO 20 2HB PRO 20 12.070 -0.770 6.189 144 1HG PRO 20 1HG PRO 20 10.558 -1.939 8.053 145 2HG PRO 20 2HG PRO 20 11.420 -0.418 8.350 146 1HD PRO 20 1HD PRO 20 8.513 -0.901 7.993 147 2HD PRO 20 2HD PRO 20 9.343 0.441 8.792 148 H CYS 21 H CYS 21 10.973 1.164 3.426 149 HA CYS 21 HA CYS 21 8.584 0.435 2.096 150 1HB CYS 21 1HB CYS 21 10.333 2.270 1.384 151 2HB CYS 21 2HB CYS 21 11.189 0.904 0.663 152 H SER 22 H SER 22 11.461 -1.234 2.917 153 HA SER 22 HA SER 22 11.375 -3.336 1.052 154 1HB SER 22 1HB SER 22 12.493 -3.289 3.858 155 2HB SER 22 2HB SER 22 12.951 -4.398 2.559 156 HG SER 22 HG SER 22 13.727 -2.636 1.385 157 H ARG 23 H ARG 23 9.357 -2.563 3.735 158 HA ARG 23 HA ARG 23 8.484 -5.291 4.016 159 1HB ARG 23 1HB ARG 23 7.856 -2.815 5.606 160 2HB ARG 23 2HB ARG 23 6.943 -4.308 5.827 161 1HG ARG 23 1HG ARG 23 8.944 -5.494 6.445 162 2HG ARG 23 2HG ARG 23 9.931 -4.083 6.093 163 1HD ARG 23 1HD ARG 23 9.575 -4.380 8.506 164 2HD ARG 23 2HD ARG 23 8.889 -2.876 7.913 165 HE ARG 23 HE ARG 23 6.743 -4.389 7.869 166 1HH1 ARG 23 1HH1 ARG 23 9.253 -4.317 10.384 167 2HH1 ARG 23 2HH1 ARG 23 8.142 -4.532 11.653 168 1HH2 ARG 23 1HH2 ARG 23 5.273 -4.659 9.621 169 2HH2 ARG 23 2HH2 ARG 23 5.821 -4.712 11.232 170 H ILE 24 H ILE 24 7.784 -2.644 2.142 171 HA ILE 24 HA ILE 24 4.943 -2.951 1.813 172 HB ILE 24 HB ILE 24 7.038 -1.648 0.039 173 1HG1 ILE 24 1HG1 ILE 24 6.662 -0.584 2.305 174 2HG1 ILE 24 2HG1 ILE 24 6.387 0.482 0.929 175 1HG2 ILE 24 1HG2 ILE 24 5.139 -2.345 -1.246 176 2HG2 ILE 24 2HG2 ILE 24 5.151 -0.574 -1.136 177 3HG2 ILE 24 3HG2 ILE 24 4.048 -1.539 -0.137 178 1HD1 ILE 24 1HD1 ILE 24 4.724 0.778 2.690 179 2HD1 ILE 24 2HD1 ILE 24 4.230 -0.917 2.518 180 3HD1 ILE 24 3HD1 ILE 24 4.027 0.222 1.178 181 H LYS 25 H LYS 25 3.927 -4.342 0.401 182 HA LYS 25 HA LYS 25 5.674 -5.881 -1.394 183 1HB LYS 25 1HB LYS 25 4.400 -7.012 0.561 184 2HB LYS 25 2HB LYS 25 2.980 -6.723 -0.431 185 1HG LYS 25 1HG LYS 25 5.335 -8.339 -1.429 186 2HG LYS 25 2HG LYS 25 3.965 -9.070 -0.609 187 1HD LYS 25 1HD LYS 25 3.690 -7.357 -3.037 188 2HD LYS 25 2HD LYS 25 3.953 -9.110 -3.175 189 1HE LYS 25 1HE LYS 25 1.659 -7.709 -1.780 190 2HE LYS 25 2HE LYS 25 1.570 -8.480 -3.360 191 1HZ LYS 25 1HZ LYS 25 0.689 -9.899 -1.618 192 2HZ LYS 25 2HZ LYS 25 2.148 -9.886 -0.792 193 3HZ LYS 25 3HZ LYS 25 2.046 -10.606 -2.293 194 H THR 26 H THR 26 2.304 -4.684 -1.034 195 HA THR 26 HA THR 26 2.441 -3.597 -3.685 196 HB THR 26 HB THR 26 1.612 -6.009 -3.972 197 HG1 THR 26 HG1 THR 26 0.840 -5.019 -5.628 198 1HG2 THR 26 1HG2 THR 26 0.272 -6.160 -1.919 199 2HG2 THR 26 2HG2 THR 26 -0.714 -6.478 -3.345 200 3HG2 THR 26 3HG2 THR 26 -0.813 -4.915 -2.532 201 H TYR 27 H TYR 27 0.307 -2.380 -4.084 202 HA TYR 27 HA TYR 27 -0.864 -1.496 -1.554 203 1HB TYR 27 1HB TYR 27 -0.643 0.857 -2.168 204 2HB TYR 27 2HB TYR 27 0.949 0.170 -2.128 205 HD1 TYR 27 HD1 TYR 27 2.186 -0.192 -4.182 206 HD2 TYR 27 HD2 TYR 27 -1.672 1.517 -4.161 207 HE1 TYR 27 HE1 TYR 27 2.520 0.610 -6.516 208 HE2 TYR 27 HE2 TYR 27 -1.404 2.317 -6.392 209 HH TYR 27 HH TYR 27 1.016 1.233 -8.466 210 H THR 28 H THR 28 -2.780 -0.241 -1.927 211 HA THR 28 HA THR 28 -4.059 -0.480 -4.520 212 HB THR 28 HB THR 28 -5.395 -1.164 -1.908 213 HG1 THR 28 HG1 THR 28 -3.875 -2.641 -3.630 214 1HG2 THR 28 1HG2 THR 28 -7.220 -2.011 -3.357 215 2HG2 THR 28 2HG2 THR 28 -6.321 -1.475 -4.777 216 3HG2 THR 28 3HG2 THR 28 -6.918 -0.292 -3.614 217 H ILE 29 H ILE 29 -4.592 1.558 -4.975 218 HA ILE 29 HA ILE 29 -4.950 3.467 -2.796 219 HB ILE 29 HB ILE 29 -4.737 3.985 -5.785 220 1HG1 ILE 29 1HG1 ILE 29 -2.800 4.552 -3.535 221 2HG1 ILE 29 2HG1 ILE 29 -2.628 3.273 -4.735 222 1HG2 ILE 29 1HG2 ILE 29 -4.602 6.362 -5.201 223 2HG2 ILE 29 2HG2 ILE 29 -4.917 5.965 -3.511 224 3HG2 ILE 29 3HG2 ILE 29 -6.155 5.665 -4.734 225 1HD1 ILE 29 1HD1 ILE 29 -2.616 6.234 -5.283 226 2HD1 ILE 29 2HD1 ILE 29 -2.463 4.968 -6.498 227 3HD1 ILE 29 3HD1 ILE 29 -1.206 5.173 -5.278 228 H THR 30 H THR 30 -6.829 4.151 -2.178 229 HA THR 30 HA THR 30 -9.139 3.324 -3.732 230 HB THR 30 HB THR 30 -10.401 3.802 -1.606 231 HG1 THR 30 HG1 THR 30 -7.776 3.840 -0.475 232 1HG2 THR 30 1HG2 THR 30 -9.689 1.710 -0.515 233 2HG2 THR 30 2HG2 THR 30 -8.209 1.725 -1.470 234 3HG2 THR 30 3HG2 THR 30 -9.770 1.524 -2.266 235 H GLU 31 H GLU 31 -10.732 4.764 -4.297 236 HA GLU 31 HA GLU 31 -10.239 7.541 -3.641 237 1HB GLU 31 1HB GLU 31 -10.786 8.211 -5.936 238 2HB GLU 31 2HB GLU 31 -9.352 7.206 -5.877 239 1HG GLU 31 1HG GLU 31 -10.585 5.299 -6.673 240 2HG GLU 31 2HG GLU 31 -12.095 6.216 -6.619 241 H GLY 32 H GLY 32 -12.024 8.776 -3.487 242 1HA GLY 32 1HA GLY 32 -14.458 8.934 -4.101 243 2HA GLY 32 2HA GLY 32 -14.574 7.327 -3.383 244 H SER 33 H SER 33 -14.271 7.083 -1.207 245 HA SER 33 HA SER 33 -14.718 9.535 0.325 246 1HB SER 33 1HB SER 33 -15.280 6.663 1.113 247 2HB SER 33 2HB SER 33 -15.742 8.109 2.008 248 HG SER 33 HG SER 33 -16.738 8.561 -0.281 249 H LEU 34 H LEU 34 -12.727 10.226 0.839 250 HA LEU 34 HA LEU 34 -10.707 10.412 1.787 251 1HB LEU 34 1HB LEU 34 -11.832 9.545 3.830 252 2HB LEU 34 2HB LEU 34 -11.446 7.911 3.316 253 HG LEU 34 HG LEU 34 -9.091 8.433 3.545 254 1HD1 LEU 34 1HD1 LEU 34 -10.071 11.035 4.732 255 2HD1 LEU 34 2HD1 LEU 34 -9.165 10.857 3.233 256 3HD1 LEU 34 3HD1 LEU 34 -8.404 10.463 4.775 257 1HD2 LEU 34 1HD2 LEU 34 -10.271 7.338 5.351 258 2HD2 LEU 34 2HD2 LEU 34 -10.754 8.902 6.013 259 3HD2 LEU 34 3HD2 LEU 34 -9.056 8.434 6.010 260 H ARG 35 H ARG 35 -9.224 10.163 0.280 261 HA ARG 35 HA ARG 35 -8.711 7.684 -1.018 262 1HB ARG 35 1HB ARG 35 -7.142 10.266 -1.019 263 2HB ARG 35 2HB ARG 35 -6.714 8.868 -1.986 264 1HG ARG 35 1HG ARG 35 -8.849 9.002 -3.136 265 2HG ARG 35 2HG ARG 35 -9.283 10.416 -2.177 266 1HD ARG 35 1HD ARG 35 -7.412 11.652 -3.119 267 2HD ARG 35 2HD ARG 35 -6.893 10.223 -4.009 268 HE ARG 35 HE ARG 35 -9.580 11.122 -4.522 269 1HH1 ARG 35 1HH1 ARG 35 -6.196 11.304 -5.549 270 2HH1 ARG 35 2HH1 ARG 35 -6.547 11.743 -7.145 271 1HH2 ARG 35 1HH2 ARG 35 -10.063 11.715 -6.753 272 2HH2 ARG 35 2HH2 ARG 35 -8.786 11.957 -7.858 273 H ALA 36 H ALA 36 -7.817 6.060 -0.084 274 HA ALA 36 HA ALA 36 -5.601 6.544 1.773 275 1HB ALA 36 1HB ALA 36 -6.268 4.534 2.925 276 2HB ALA 36 2HB ALA 36 -7.624 4.323 1.811 277 3HB ALA 36 3HB ALA 36 -7.590 5.709 2.913 278 H VAL 37 H VAL 37 -3.722 5.480 1.331 279 HA VAL 37 HA VAL 37 -3.746 3.639 -0.914 280 HB VAL 37 HB VAL 37 -1.386 4.630 0.688 281 1HG1 VAL 37 1HG1 VAL 37 -1.592 3.454 -2.064 282 2HG1 VAL 37 2HG1 VAL 37 -0.987 2.656 -0.610 283 3HG1 VAL 37 3HG1 VAL 37 -0.111 4.029 -1.291 284 1HG2 VAL 37 1HG2 VAL 37 -1.001 6.319 -1.030 285 2HG2 VAL 37 2HG2 VAL 37 -2.557 6.551 -0.221 286 3HG2 VAL 37 3HG2 VAL 37 -2.506 5.849 -1.836 287 H ILE 38 H ILE 38 -4.068 1.601 -0.339 288 HA ILE 38 HA ILE 38 -3.401 0.829 2.386 289 HB ILE 38 HB ILE 38 -5.093 -0.639 0.329 290 1HG1 ILE 38 1HG1 ILE 38 -5.927 1.043 2.702 291 2HG1 ILE 38 2HG1 ILE 38 -6.094 1.500 1.011 292 1HG2 ILE 38 1HG2 ILE 38 -4.723 -1.108 3.291 293 2HG2 ILE 38 2HG2 ILE 38 -4.123 -2.157 1.998 294 3HG2 ILE 38 3HG2 ILE 38 -5.865 -1.958 2.254 295 1HD1 ILE 38 1HD1 ILE 38 -8.197 0.749 1.927 296 2HD1 ILE 38 2HD1 ILE 38 -7.458 -0.781 2.399 297 3HD1 ILE 38 3HD1 ILE 38 -7.640 -0.382 0.684 298 H PHE 39 H PHE 39 -1.540 -0.064 2.638 299 HA PHE 39 HA PHE 39 -0.247 -1.434 0.414 300 1HB PHE 39 1HB PHE 39 0.844 -0.316 2.972 301 2HB PHE 39 2HB PHE 39 1.764 -1.388 1.927 302 HD1 PHE 39 HD1 PHE 39 2.193 -0.703 -0.397 303 HD2 PHE 39 HD2 PHE 39 0.680 1.955 2.526 304 HE1 PHE 39 HE1 PHE 39 2.933 1.186 -1.766 305 HE2 PHE 39 HE2 PHE 39 1.396 3.848 1.186 306 HZ PHE 39 HZ PHE 39 2.538 3.435 -1.025 307 H ILE 40 H ILE 40 -0.119 -3.473 0.392 308 HA ILE 40 HA ILE 40 -0.805 -4.917 2.817 309 HB ILE 40 HB ILE 40 -0.142 -6.209 0.168 310 1HG1 ILE 40 1HG1 ILE 40 -1.884 -4.568 -0.346 311 2HG1 ILE 40 2HG1 ILE 40 -2.537 -6.188 -0.402 312 1HG2 ILE 40 1HG2 ILE 40 -1.877 -6.926 2.515 313 2HG2 ILE 40 2HG2 ILE 40 -0.295 -7.615 2.183 314 3HG2 ILE 40 3HG2 ILE 40 -1.660 -7.971 1.108 315 1HD1 ILE 40 1HD1 ILE 40 -4.094 -4.606 0.676 316 2HD1 ILE 40 2HD1 ILE 40 -2.891 -4.282 1.932 317 3HD1 ILE 40 3HD1 ILE 40 -3.582 -5.888 1.761 318 H THR 41 H THR 41 0.770 -5.559 4.017 319 HA THR 41 HA THR 41 3.456 -5.149 3.075 320 HB THR 41 HB THR 41 2.708 -4.386 5.355 321 HG1 THR 41 HG1 THR 41 4.920 -4.991 4.758 322 1HG2 THR 41 1HG2 THR 41 2.683 -7.343 5.971 323 2HG2 THR 41 2HG2 THR 41 1.275 -6.282 5.939 324 3HG2 THR 41 3HG2 THR 41 2.527 -6.048 7.161 325 H LYS 42 H LYS 42 5.106 -6.904 3.449 326 HA LYS 42 HA LYS 42 4.364 -9.176 1.977 327 1HB LYS 42 1HB LYS 42 6.859 -8.662 3.582 328 2HB LYS 42 2HB LYS 42 6.665 -9.987 2.441 329 1HG LYS 42 1HG LYS 42 6.349 -8.405 0.627 330 2HG LYS 42 2HG LYS 42 6.476 -7.063 1.760 331 1HD LYS 42 1HD LYS 42 8.784 -7.701 2.257 332 2HD LYS 42 2HD LYS 42 8.647 -9.067 1.143 333 1HE LYS 42 1HE LYS 42 8.257 -7.547 -0.711 334 2HE LYS 42 2HE LYS 42 8.292 -6.173 0.391 335 1HZ LYS 42 1HZ LYS 42 10.366 -6.433 -0.791 336 2HZ LYS 42 2HZ LYS 42 10.595 -7.977 -0.183 337 3HZ LYS 42 3HZ LYS 42 10.609 -6.643 0.853 338 H ARG 43 H ARG 43 4.058 -8.635 5.281 339 HA ARG 43 HA ARG 43 4.120 -11.400 6.073 340 1HB ARG 43 1HB ARG 43 4.699 -9.549 7.613 341 2HB ARG 43 2HB ARG 43 3.032 -8.996 7.551 342 1HG ARG 43 1HG ARG 43 2.304 -11.070 8.599 343 2HG ARG 43 2HG ARG 43 3.975 -11.646 8.621 344 1HD ARG 43 1HD ARG 43 4.592 -9.735 10.028 345 2HD ARG 43 2HD ARG 43 2.912 -9.206 10.034 346 HE ARG 43 HE ARG 43 2.933 -11.817 10.891 347 1HH1 ARG 43 1HH1 ARG 43 4.268 -8.715 12.004 348 2HH1 ARG 43 2HH1 ARG 43 4.213 -9.134 13.647 349 1HH2 ARG 43 1HH2 ARG 43 2.906 -12.370 13.188 350 2HH2 ARG 43 2HH2 ARG 43 3.441 -11.237 14.340 351 H GLY 44 H GLY 44 1.897 -9.504 4.404 352 1HA GLY 44 1HA GLY 44 0.006 -10.491 3.394 353 2HA GLY 44 2HA GLY 44 -0.137 -11.595 4.744 354 H LEU 45 H LEU 45 0.423 -8.677 6.046 355 HA LEU 45 HA LEU 45 -2.447 -8.238 6.553 356 1HB LEU 45 1HB LEU 45 -0.017 -7.040 7.842 357 2HB LEU 45 2HB LEU 45 -1.681 -6.729 8.297 358 HG LEU 45 HG LEU 45 -0.257 -9.365 8.520 359 1HD1 LEU 45 1HD1 LEU 45 0.503 -7.726 10.141 360 2HD1 LEU 45 2HD1 LEU 45 -0.479 -8.975 10.928 361 3HD1 LEU 45 3HD1 LEU 45 -1.174 -7.385 10.577 362 1HD2 LEU 45 1HD2 LEU 45 -2.622 -9.696 8.056 363 2HD2 LEU 45 2HD2 LEU 45 -3.051 -8.567 9.341 364 3HD2 LEU 45 3HD2 LEU 45 -2.274 -10.100 9.736 365 H LYS 46 H LYS 46 -3.337 -6.334 6.490 366 HA LYS 46 HA LYS 46 -2.315 -4.711 4.316 367 1HB LYS 46 1HB LYS 46 -4.720 -4.123 3.989 368 2HB LYS 46 2HB LYS 46 -4.281 -5.793 3.648 369 1HG LYS 46 1HG LYS 46 -5.011 -6.323 5.949 370 2HG LYS 46 2HG LYS 46 -5.745 -4.720 6.026 371 1HD LYS 46 1HD LYS 46 -6.272 -6.843 4.010 372 2HD LYS 46 2HD LYS 46 -7.346 -6.449 5.346 373 1HE LYS 46 1HE LYS 46 -7.645 -4.154 4.449 374 2HE LYS 46 2HE LYS 46 -6.568 -4.543 3.112 375 1HZ LYS 46 1HZ LYS 46 -9.131 -5.926 3.629 376 2HZ LYS 46 2HZ LYS 46 -8.156 -6.079 2.251 377 3HZ LYS 46 3HZ LYS 46 -8.949 -4.623 2.593 378 H VAL 47 H VAL 47 -1.777 -2.891 4.701 379 HA VAL 47 HA VAL 47 -2.540 -1.559 7.190 380 HB VAL 47 HB VAL 47 0.093 -1.235 5.703 381 1HG1 VAL 47 1HG1 VAL 47 0.887 -0.041 7.696 382 2HG1 VAL 47 2HG1 VAL 47 -0.717 -0.181 8.409 383 3HG1 VAL 47 3HG1 VAL 47 -0.484 0.773 6.943 384 1HG2 VAL 47 1HG2 VAL 47 -0.475 -2.752 8.252 385 2HG2 VAL 47 2HG2 VAL 47 1.126 -2.483 7.555 386 3HG2 VAL 47 3HG2 VAL 47 -0.062 -3.457 6.688 387 H CYS 48 H CYS 48 -2.785 0.827 7.036 388 HA CYS 48 HA CYS 48 -3.307 1.665 4.254 389 1HB CYS 48 1HB CYS 48 -4.684 2.571 6.777 390 2HB CYS 48 2HB CYS 48 -5.058 3.088 5.142 391 H ALA 49 H ALA 49 -2.198 3.418 3.636 392 HA ALA 49 HA ALA 49 -0.820 4.985 5.679 393 1HB ALA 49 1HB ALA 49 1.066 5.123 4.144 394 2HB ALA 49 2HB ALA 49 0.170 4.113 2.993 395 3HB ALA 49 3HB ALA 49 0.675 3.441 4.536 396 H ASP 50 H ASP 50 -0.427 7.115 5.203 397 HA ASP 50 HA ASP 50 -2.583 8.410 3.859 398 1HB ASP 50 1HB ASP 50 -1.646 9.198 5.996 399 2HB ASP 50 2HB ASP 50 -0.109 9.494 5.204 400 HA PRO 51 HA PRO 51 -0.401 8.576 -0.106 401 1HB PRO 51 1HB PRO 51 -2.175 10.204 -1.368 402 2HB PRO 51 2HB PRO 51 -2.469 8.484 -1.113 403 1HG PRO 51 1HG PRO 51 -3.469 10.829 0.463 404 2HG PRO 51 2HG PRO 51 -4.352 9.387 -0.073 405 1HD PRO 51 1HD PRO 51 -3.459 9.650 2.439 406 2HD PRO 51 2HD PRO 51 -3.481 8.071 1.625 407 H GLN 52 H GLN 52 -0.924 11.188 2.043 408 HA GLN 52 HA GLN 52 0.337 13.113 0.282 409 1HB GLN 52 1HB GLN 52 -0.791 13.427 3.069 410 2HB GLN 52 2HB GLN 52 -0.187 14.740 2.060 411 1HG GLN 52 1HG GLN 52 -1.921 14.323 0.429 412 2HG GLN 52 2HG GLN 52 -2.493 12.945 1.354 413 1HE2 GLN 52 1HE2 GLN 52 -2.333 16.390 1.182 414 2HE2 GLN 52 2HE2 GLN 52 -3.536 16.702 2.379 415 H ALA 53 H ALA 53 1.153 10.805 2.538 416 HA ALA 53 HA ALA 53 3.518 12.029 3.601 417 1HB ALA 53 1HB ALA 53 4.053 9.764 4.361 418 2HB ALA 53 2HB ALA 53 2.730 9.123 3.386 419 3HB ALA 53 3HB ALA 53 2.385 10.178 4.755 420 H THR 54 H THR 54 5.397 12.247 2.719 421 HA THR 54 HA THR 54 5.770 12.000 -0.008 422 HB THR 54 HB THR 54 7.873 12.213 2.141 423 HG1 THR 54 HG1 THR 54 6.780 14.408 0.779 424 1HG2 THR 54 1HG2 THR 54 8.764 11.790 -0.098 425 2HG2 THR 54 2HG2 THR 54 9.125 13.443 0.412 426 3HG2 THR 54 3HG2 THR 54 7.822 13.135 -0.740 427 H TRP 55 H TRP 55 6.584 9.824 2.623 428 HA TRP 55 HA TRP 55 8.339 8.202 1.031 429 1HB TRP 55 1HB TRP 55 8.404 6.637 2.870 430 2HB TRP 55 2HB TRP 55 8.406 8.255 3.544 431 HD1 TRP 55 HD1 TRP 55 6.134 9.048 4.684 432 HE1 TRP 55 HE1 TRP 55 4.291 7.667 5.915 433 HE3 TRP 55 HE3 TRP 55 7.216 4.466 2.822 434 HZ2 TRP 55 HZ2 TRP 55 3.461 5.040 6.031 435 HZ3 TRP 55 HZ3 TRP 55 5.852 2.537 3.519 436 HH2 TRP 55 HH2 TRP 55 4.007 2.807 5.091 437 H VAL 56 H VAL 56 4.931 8.176 1.772 438 HA VAL 56 HA VAL 56 4.339 5.685 0.589 439 HB VAL 56 HB VAL 56 2.535 8.112 1.003 440 1HG1 VAL 56 1HG1 VAL 56 1.812 5.331 0.118 441 2HG1 VAL 56 2HG1 VAL 56 1.636 6.817 -0.804 442 3HG1 VAL 56 3HG1 VAL 56 0.667 6.561 0.647 443 1HG2 VAL 56 1HG2 VAL 56 2.763 5.516 2.504 444 2HG2 VAL 56 2HG2 VAL 56 1.639 6.829 2.851 445 3HG2 VAL 56 3HG2 VAL 56 3.376 7.071 3.050 446 H ARG 57 H ARG 57 4.247 8.980 -0.562 447 HA ARG 57 HA ARG 57 3.457 8.428 -3.169 448 1HB ARG 57 1HB ARG 57 5.263 10.619 -2.171 449 2HB ARG 57 2HB ARG 57 4.534 10.564 -3.777 450 1HG ARG 57 1HG ARG 57 2.341 10.557 -2.778 451 2HG ARG 57 2HG ARG 57 3.050 10.649 -1.172 452 1HD ARG 57 1HD ARG 57 4.066 12.794 -1.717 453 2HD ARG 57 2HD ARG 57 3.404 12.707 -3.351 454 HE ARG 57 HE ARG 57 1.294 12.429 -1.615 455 1HH1 ARG 57 1HH1 ARG 57 3.686 14.914 -2.418 456 2HH1 ARG 57 2HH1 ARG 57 2.668 16.225 -2.059 457 1HH2 ARG 57 1HH2 ARG 57 -0.113 14.251 -1.137 458 2HH2 ARG 57 2HH2 ARG 57 0.465 15.845 -1.294 459 H ASP 58 H ASP 58 6.614 8.375 -1.722 460 HA ASP 58 HA ASP 58 7.998 7.817 -4.150 461 1HB ASP 58 1HB ASP 58 9.231 8.739 -2.267 462 2HB ASP 58 2HB ASP 58 8.854 7.327 -1.289 463 H CYS 59 H CYS 59 6.767 5.649 -1.562 464 HA CYS 59 HA CYS 59 7.797 3.342 -2.928 465 1HB CYS 59 1HB CYS 59 5.889 3.535 -0.649 466 2HB CYS 59 2HB CYS 59 6.512 2.048 -1.346 467 H VAL 60 H VAL 60 4.638 4.847 -2.701 468 HA VAL 60 HA VAL 60 3.187 2.741 -3.840 469 HB VAL 60 HB VAL 60 2.305 4.836 -2.570 470 1HG1 VAL 60 1HG1 VAL 60 3.307 6.552 -3.991 471 2HG1 VAL 60 2HG1 VAL 60 1.528 6.679 -3.970 472 3HG1 VAL 60 3HG1 VAL 60 2.344 5.932 -5.345 473 1HG2 VAL 60 1HG2 VAL 60 0.871 3.953 -5.055 474 2HG2 VAL 60 2HG2 VAL 60 0.149 4.780 -3.666 475 3HG2 VAL 60 3HG2 VAL 60 0.831 3.171 -3.477 476 H ARG 61 H ARG 61 5.253 5.098 -5.064 477 HA ARG 61 HA ARG 61 4.473 4.513 -7.840 478 1HB ARG 61 1HB ARG 61 6.436 6.550 -6.795 479 2HB ARG 61 2HB ARG 61 6.065 6.293 -8.490 480 1HG ARG 61 1HG ARG 61 4.059 7.181 -6.416 481 2HG ARG 61 2HG ARG 61 4.944 8.268 -7.478 482 1HD ARG 61 1HD ARG 61 2.743 7.941 -8.383 483 2HD ARG 61 2HD ARG 61 3.897 7.116 -9.420 484 HE ARG 61 HE ARG 61 2.922 5.170 -7.709 485 1HH1 ARG 61 1HH1 ARG 61 1.506 7.435 -10.021 486 2HH1 ARG 61 2HH1 ARG 61 0.185 6.429 -10.416 487 1HH2 ARG 61 1HH2 ARG 61 1.059 3.734 -8.295 488 2HH2 ARG 61 2HH2 ARG 61 -0.048 4.325 -9.406 489 H SER 62 H SER 62 7.201 4.159 -5.623 490 HA SER 62 HA SER 62 9.102 3.137 -7.353 491 1HB SER 62 1HB SER 62 9.491 3.732 -4.914 492 2HB SER 62 2HB SER 62 8.628 2.286 -4.460 493 HG SER 62 HG SER 62 11.144 2.572 -5.038 494 H MET 63 H MET 63 6.584 1.438 -5.533 495 HA MET 63 HA MET 63 7.325 -1.117 -6.500 496 1HB MET 63 1HB MET 63 4.721 -0.257 -5.230 497 2HB MET 63 2HB MET 63 5.213 -1.925 -5.506 498 1HG MET 63 1HG MET 63 6.535 0.077 -3.696 499 2HG MET 63 2HG MET 63 5.627 -1.371 -3.239 500 1HE MET 63 1HE MET 63 8.605 -0.559 -2.254 501 2HE MET 63 2HE MET 63 9.431 -2.113 -2.341 502 3HE MET 63 3HE MET 63 7.800 -2.026 -1.680 503 H ASP 64 H ASP 64 5.216 1.329 -7.637 504 HA ASP 64 HA ASP 64 3.816 -0.248 -9.553 505 1HB ASP 64 1HB ASP 64 2.980 1.926 -8.755 506 2HB ASP 64 2HB ASP 64 4.378 2.722 -9.460 507 H ARG 65 H ARG 65 6.604 1.887 -9.684 508 HA ARG 65 HA ARG 65 7.141 1.609 -12.444 509 1HB ARG 65 1HB ARG 65 8.856 2.615 -10.191 510 2HB ARG 65 2HB ARG 65 9.327 2.665 -11.879 511 1HG ARG 65 1HG ARG 65 7.504 4.133 -12.407 512 2HG ARG 65 2HG ARG 65 6.858 3.973 -10.773 513 1HD ARG 65 1HD ARG 65 8.055 6.072 -11.065 514 2HD ARG 65 2HD ARG 65 8.836 5.052 -9.860 515 HE ARG 65 HE ARG 65 10.060 4.583 -12.326 516 1HH1 ARG 65 1HH1 ARG 65 9.704 7.219 -10.005 517 2HH1 ARG 65 2HH1 ARG 65 11.181 7.963 -10.384 518 1HH2 ARG 65 1HH2 ARG 65 12.108 5.569 -12.834 519 2HH2 ARG 65 2HH2 ARG 65 12.609 6.995 -12.041 520 H LYS 66 H LYS 66 8.277 -0.248 -9.655 521 HA LYS 66 HA LYS 66 10.507 -1.361 -10.940 522 1HB LYS 66 1HB LYS 66 10.592 -3.070 -9.240 523 2HB LYS 66 2HB LYS 66 10.218 -1.524 -8.505 524 1HG LYS 66 1HG LYS 66 7.881 -2.166 -8.327 525 2HG LYS 66 2HG LYS 66 8.246 -3.704 -9.108 526 1HD LYS 66 1HD LYS 66 9.767 -4.283 -7.296 527 2HD LYS 66 2HD LYS 66 9.431 -2.737 -6.511 528 1HE LYS 66 1HE LYS 66 8.118 -4.438 -5.446 529 2HE LYS 66 2HE LYS 66 7.093 -3.349 -6.398 530 1HZ LYS 66 1HZ LYS 66 6.936 -5.012 -8.119 531 2HZ LYS 66 2HZ LYS 66 6.441 -5.672 -6.670 532 3HZ LYS 66 3HZ LYS 66 7.969 -6.042 -7.274 533 H SER 67 H SER 67 7.195 -2.040 -11.369 534 HA SER 67 HA SER 67 7.664 -4.646 -12.524 535 1HB SER 67 1HB SER 67 5.583 -4.211 -11.276 536 2HB SER 67 2HB SER 67 5.140 -2.964 -12.442 537 HG SER 67 HG SER 67 4.344 -4.456 -13.601 538 H ASN 68 H ASN 68 7.886 -1.428 -13.521 539 HA ASN 68 HA ASN 68 7.186 -1.915 -16.288 540 1HB ASN 68 1HB ASN 68 8.424 0.532 -14.992 541 2HB ASN 68 2HB ASN 68 7.835 0.434 -16.641 542 1HD2 ASN 68 1HD2 ASN 68 5.386 -1.080 -15.831 543 2HD2 ASN 68 2HD2 ASN 68 4.412 0.102 -15.047 544 H THR 69 H THR 69 8.657 -3.171 -17.306 545 HA THR 69 HA THR 69 11.300 -2.133 -17.507 546 HB THR 69 HB THR 69 11.456 -3.639 -15.571 547 HG1 THR 69 HG1 THR 69 13.349 -3.843 -16.293 548 1HG2 THR 69 1HG2 THR 69 11.263 -6.080 -15.917 549 2HG2 THR 69 2HG2 THR 69 10.709 -5.711 -17.573 550 3HG2 THR 69 3HG2 THR 69 9.747 -5.193 -16.192 551 H ARG 70 H ARG 70 12.412 -4.222 -18.937 552 HA ARG 70 HA ARG 70 10.872 -3.841 -21.348 553 1HB ARG 70 1HB ARG 70 13.577 -5.162 -21.099 554 2HB ARG 70 2HB ARG 70 12.817 -4.581 -22.579 555 1HG ARG 70 1HG ARG 70 13.788 -2.905 -20.269 556 2HG ARG 70 2HG ARG 70 14.504 -3.011 -21.878 557 1HD ARG 70 1HD ARG 70 12.544 -1.965 -22.856 558 2HD ARG 70 2HD ARG 70 11.722 -1.989 -21.298 559 HE ARG 70 HE ARG 70 14.184 -0.623 -21.146 560 1HH1 ARG 70 1HH1 ARG 70 10.833 -0.229 -22.236 561 2HH1 ARG 70 2HH1 ARG 70 10.837 1.459 -22.074 562 1HH2 ARG 70 1HH2 ARG 70 14.148 1.725 -20.894 563 2HH2 ARG 70 2HH2 ARG 70 12.733 2.584 -21.309 564 H ASN 71 H ASN 71 9.178 -5.067 -21.086 565 HA ASN 71 HA ASN 71 7.808 -6.782 -21.215 566 1HB ASN 71 1HB ASN 71 8.807 -7.037 -23.442 567 2HB ASN 71 2HB ASN 71 10.013 -8.129 -22.781 568 1HD2 ASN 71 1HD2 ASN 71 6.624 -7.722 -23.517 569 2HD2 ASN 71 2HD2 ASN 71 6.234 -9.405 -23.530 570 H ASN 72 H ASN 72 7.772 -6.989 -19.039 571 HA ASN 72 HA ASN 72 7.541 -9.513 -18.058 572 1HB ASN 72 1HB ASN 72 10.015 -9.765 -18.110 573 2HB ASN 72 2HB ASN 72 10.182 -8.333 -17.102 574 1HD2 ASN 72 1HD2 ASN 72 9.787 -8.502 -14.895 575 2HD2 ASN 72 2HD2 ASN 72 9.549 -9.998 -14.091 576 H MET 73 H MET 73 5.778 -8.749 -17.037 577 HA MET 73 HA MET 73 6.196 -6.545 -15.138 578 1HB MET 73 1HB MET 73 3.791 -6.207 -15.118 579 2HB MET 73 2HB MET 73 4.367 -6.197 -16.776 580 1HG MET 73 1HG MET 73 3.546 -8.425 -17.124 581 2HG MET 73 2HG MET 73 3.087 -8.562 -15.427 582 1HE MET 73 1HE MET 73 1.122 -9.254 -17.780 583 2HE MET 73 2HE MET 73 -0.356 -8.470 -17.218 584 3HE MET 73 3HE MET 73 0.677 -9.321 -16.076 585 H ILE 74 H ILE 74 5.335 -6.699 -13.031 586 HA ILE 74 HA ILE 74 4.732 -9.401 -12.111 587 HB ILE 74 HB ILE 74 6.624 -7.431 -10.754 588 1HG1 ILE 74 1HG1 ILE 74 7.117 -10.203 -11.888 589 2HG1 ILE 74 2HG1 ILE 74 7.648 -8.695 -12.611 590 1HG2 ILE 74 1HG2 ILE 74 5.222 -8.550 -9.095 591 2HG2 ILE 74 2HG2 ILE 74 6.883 -9.131 -8.997 592 3HG2 ILE 74 3HG2 ILE 74 5.650 -10.120 -9.776 593 1HD1 ILE 74 1HD1 ILE 74 9.468 -9.842 -11.485 594 2HD1 ILE 74 2HD1 ILE 74 8.566 -9.810 -9.968 595 3HD1 ILE 74 3HD1 ILE 74 9.117 -8.304 -10.704 596 H GLN 75 H GLN 75 2.811 -9.404 -11.202 597 HA GLN 75 HA GLN 75 1.890 -6.977 -9.933 598 1HB GLN 75 1HB GLN 75 -0.414 -7.459 -10.873 599 2HB GLN 75 2HB GLN 75 0.793 -6.889 -12.011 600 1HG GLN 75 1HG GLN 75 1.116 -9.157 -12.838 601 2HG GLN 75 2HG GLN 75 -0.048 -9.755 -11.656 602 1HE2 GLN 75 1HE2 GLN 75 -0.526 -6.722 -13.306 603 2HE2 GLN 75 2HE2 GLN 75 -1.832 -7.226 -14.291 Start of MODEL 3 1 1H GLY 2 1H GLY 2 -13.909 -6.880 11.122 2 1HA GLY 2 1HA GLY 2 -13.129 -5.139 12.547 3 2HA GLY 2 2HA GLY 2 -14.224 -5.719 13.805 4 H SER 3 H SER 3 -11.615 -7.001 11.789 5 HA SER 3 HA SER 3 -10.861 -8.824 13.860 6 1HB SER 3 1HB SER 3 -9.596 -8.266 11.174 7 2HB SER 3 2HB SER 3 -9.185 -9.614 12.241 8 HG SER 3 HG SER 3 -10.963 -9.703 10.418 9 H GLU 4 H GLU 4 -8.923 -6.335 12.097 10 HA GLU 4 HA GLU 4 -7.782 -5.544 14.651 11 1HB GLU 4 1HB GLU 4 -6.075 -6.470 12.336 12 2HB GLU 4 2HB GLU 4 -5.468 -5.558 13.703 13 1HG GLU 4 1HG GLU 4 -6.145 -7.388 15.196 14 2HG GLU 4 2HG GLU 4 -6.702 -8.298 13.793 15 H VAL 5 H VAL 5 -6.949 -4.935 11.273 16 HA VAL 5 HA VAL 5 -7.762 -2.162 11.611 17 HB VAL 5 HB VAL 5 -5.677 -1.352 10.512 18 1HG1 VAL 5 1HG1 VAL 5 -5.196 -2.840 13.091 19 2HG1 VAL 5 2HG1 VAL 5 -5.848 -1.211 12.935 20 3HG1 VAL 5 3HG1 VAL 5 -4.182 -1.547 12.452 21 1HG2 VAL 5 1HG2 VAL 5 -4.983 -3.411 9.394 22 2HG2 VAL 5 2HG2 VAL 5 -4.671 -4.166 10.955 23 3HG2 VAL 5 3HG2 VAL 5 -3.686 -2.803 10.424 24 H SER 6 H SER 6 -8.556 -1.236 9.796 25 HA SER 6 HA SER 6 -9.539 -1.067 7.823 26 1HB SER 6 1HB SER 6 -7.200 -0.890 7.031 27 2HB SER 6 2HB SER 6 -7.133 -2.636 6.826 28 HG SER 6 HG SER 6 -9.126 -2.123 5.416 29 H ASP 7 H ASP 7 -11.076 -2.596 8.958 30 HA ASP 7 HA ASP 7 -11.223 -5.278 7.944 31 1HB ASP 7 1HB ASP 7 -12.231 -4.552 10.139 32 2HB ASP 7 2HB ASP 7 -13.421 -3.629 9.229 33 H LYS 8 H LYS 8 -12.189 -5.962 6.091 34 HA LYS 8 HA LYS 8 -13.185 -5.943 4.046 35 1HB LYS 8 1HB LYS 8 -14.486 -3.358 4.920 36 2HB LYS 8 2HB LYS 8 -14.920 -4.306 3.509 37 1HG LYS 8 1HG LYS 8 -15.708 -6.099 4.957 38 2HG LYS 8 2HG LYS 8 -15.264 -5.142 6.375 39 1HD LYS 8 1HD LYS 8 -17.277 -4.362 4.265 40 2HD LYS 8 2HD LYS 8 -17.646 -4.936 5.895 41 1HE LYS 8 1HE LYS 8 -16.466 -2.951 6.817 42 2HE LYS 8 2HE LYS 8 -16.162 -2.406 5.179 43 1HZ LYS 8 1HZ LYS 8 -18.882 -2.782 6.305 44 2HZ LYS 8 2HZ LYS 8 -18.481 -2.061 4.823 45 3HZ LYS 8 3HZ LYS 8 -18.052 -1.330 6.261 46 H ARG 9 H ARG 9 -13.782 -3.572 2.461 47 HA ARG 9 HA ARG 9 -11.085 -2.877 1.730 48 1HB ARG 9 1HB ARG 9 -13.754 -2.198 0.437 49 2HB ARG 9 2HB ARG 9 -12.209 -1.665 -0.168 50 1HG ARG 9 1HG ARG 9 -13.009 -3.509 -1.492 51 2HG ARG 9 2HG ARG 9 -11.590 -4.019 -0.591 52 1HD ARG 9 1HD ARG 9 -13.313 -5.738 -0.584 53 2HD ARG 9 2HD ARG 9 -13.003 -5.102 1.037 54 HE ARG 9 HE ARG 9 -15.112 -3.702 -0.171 55 1HH1 ARG 9 1HH1 ARG 9 -14.418 -6.863 1.276 56 2HH1 ARG 9 2HH1 ARG 9 -15.997 -7.163 1.815 57 1HH2 ARG 9 1HH2 ARG 9 -17.338 -4.090 0.578 58 2HH2 ARG 9 2HH2 ARG 9 -17.697 -5.535 1.406 59 H THR 10 H THR 10 -10.382 -0.737 1.629 60 HA THR 10 HA THR 10 -10.164 1.442 2.198 61 HB THR 10 HB THR 10 -13.073 1.401 3.101 62 HG1 THR 10 HG1 THR 10 -12.222 0.914 0.784 63 1HG2 THR 10 1HG2 THR 10 -11.286 3.668 2.202 64 2HG2 THR 10 2HG2 THR 10 -11.730 3.333 3.870 65 3HG2 THR 10 3HG2 THR 10 -12.972 3.815 2.706 66 H CYS 11 H CYS 11 -9.360 2.489 3.983 67 HA CYS 11 HA CYS 11 -9.541 0.997 6.524 68 1HB CYS 11 1HB CYS 11 -7.360 0.885 5.307 69 2HB CYS 11 2HB CYS 11 -7.267 2.634 5.413 70 H VAL 12 H VAL 12 -9.734 2.120 8.397 71 HA VAL 12 HA VAL 12 -10.987 4.664 8.049 72 HB VAL 12 HB VAL 12 -10.458 3.131 10.612 73 1HG1 VAL 12 1HG1 VAL 12 -10.803 5.511 11.011 74 2HG1 VAL 12 2HG1 VAL 12 -12.188 4.581 11.583 75 3HG1 VAL 12 3HG1 VAL 12 -12.292 5.467 10.063 76 1HG2 VAL 12 1HG2 VAL 12 -12.829 2.475 10.468 77 2HG2 VAL 12 2HG2 VAL 12 -11.897 1.867 9.098 78 3HG2 VAL 12 3HG2 VAL 12 -12.945 3.270 8.899 79 H SER 13 H SER 13 -9.617 6.075 7.528 80 HA SER 13 HA SER 13 -8.334 7.901 7.860 81 1HB SER 13 1HB SER 13 -7.760 6.777 10.612 82 2HB SER 13 2HB SER 13 -7.233 8.367 10.058 83 HG SER 13 HG SER 13 -9.729 8.356 9.501 84 H LEU 14 H LEU 14 -5.880 8.452 8.491 85 HA LEU 14 HA LEU 14 -4.317 6.436 7.028 86 1HB LEU 14 1HB LEU 14 -4.207 9.441 6.827 87 2HB LEU 14 2HB LEU 14 -3.262 8.285 5.909 88 HG LEU 14 HG LEU 14 -6.250 8.415 5.775 89 1HD1 LEU 14 1HD1 LEU 14 -4.227 9.678 3.912 90 2HD1 LEU 14 2HD1 LEU 14 -5.399 10.517 4.928 91 3HD1 LEU 14 3HD1 LEU 14 -5.951 9.514 3.592 92 1HD2 LEU 14 1HD2 LEU 14 -4.189 7.068 4.057 93 2HD2 LEU 14 2HD2 LEU 14 -5.916 7.147 3.714 94 3HD2 LEU 14 3HD2 LEU 14 -5.342 6.293 5.146 95 H THR 15 H THR 15 -2.261 6.129 7.771 96 HA THR 15 HA THR 15 -1.683 7.159 10.406 97 HB THR 15 HB THR 15 -1.157 4.727 9.726 98 HG1 THR 15 HG1 THR 15 0.048 4.935 11.392 99 1HG2 THR 15 1HG2 THR 15 0.962 4.327 8.573 100 2HG2 THR 15 2HG2 THR 15 1.194 6.056 8.369 101 3HG2 THR 15 3HG2 THR 15 -0.127 5.237 7.519 102 H THR 16 H THR 16 0.385 8.164 10.921 103 HA THR 16 HA THR 16 1.391 9.749 8.689 104 HB THR 16 HB THR 16 2.189 11.353 10.429 105 HG1 THR 16 HG1 THR 16 0.740 10.895 12.443 106 1HG2 THR 16 1HG2 THR 16 -0.758 10.745 10.502 107 2HG2 THR 16 2HG2 THR 16 0.063 11.701 9.274 108 3HG2 THR 16 3HG2 THR 16 -0.013 12.282 10.941 109 H GLN 17 H GLN 17 2.128 7.220 10.813 110 HA GLN 17 HA GLN 17 4.938 7.761 11.037 111 1HB GLN 17 1HB GLN 17 5.145 5.544 12.051 112 2HB GLN 17 2HB GLN 17 3.826 6.433 12.792 113 1HG GLN 17 1HG GLN 17 2.214 5.149 11.525 114 2HG GLN 17 2HG GLN 17 3.518 4.319 10.673 115 1HE2 GLN 17 1HE2 GLN 17 4.721 2.778 11.761 116 2HE2 GLN 17 2HE2 GLN 17 4.211 2.080 13.244 117 H ARG 18 H ARG 18 6.402 5.710 10.365 118 HA ARG 18 HA ARG 18 5.720 5.327 7.558 119 1HB ARG 18 1HB ARG 18 8.466 5.799 8.679 120 2HB ARG 18 2HB ARG 18 8.063 5.492 6.993 121 1HG ARG 18 1HG ARG 18 6.615 7.531 7.080 122 2HG ARG 18 2HG ARG 18 7.342 7.875 8.649 123 1HD ARG 18 1HD ARG 18 8.770 7.474 6.082 124 2HD ARG 18 2HD ARG 18 8.398 9.045 6.777 125 HE ARG 18 HE ARG 18 9.930 7.258 8.473 126 1HH1 ARG 18 1HH1 ARG 18 10.124 9.922 6.127 127 2HH1 ARG 18 2HH1 ARG 18 11.700 10.365 6.592 128 1HH2 ARG 18 1HH2 ARG 18 12.055 7.885 9.074 129 2HH2 ARG 18 2HH2 ARG 18 12.825 9.206 8.314 130 H LEU 19 H LEU 19 6.742 3.527 6.552 131 HA LEU 19 HA LEU 19 7.485 1.316 8.324 132 1HB LEU 19 1HB LEU 19 5.684 1.291 5.892 133 2HB LEU 19 2HB LEU 19 6.498 -0.141 6.442 134 HG LEU 19 HG LEU 19 5.209 -0.054 8.530 135 1HD1 LEU 19 1HD1 LEU 19 3.250 1.406 8.733 136 2HD1 LEU 19 2HD1 LEU 19 3.706 2.228 7.242 137 3HD1 LEU 19 3HD1 LEU 19 4.738 2.351 8.665 138 1HD2 LEU 19 1HD2 LEU 19 4.463 -1.389 6.688 139 2HD2 LEU 19 2HD2 LEU 19 3.571 -0.019 6.018 140 3HD2 LEU 19 3HD2 LEU 19 3.087 -0.726 7.566 141 HA PRO 20 HA PRO 20 11.049 1.206 5.565 142 1HB PRO 20 1HB PRO 20 11.338 -1.603 5.702 143 2HB PRO 20 2HB PRO 20 12.194 -0.429 6.702 144 1HG PRO 20 1HG PRO 20 9.841 -2.104 7.352 145 2HG PRO 20 2HG PRO 20 11.083 -1.441 8.421 146 1HD PRO 20 1HD PRO 20 8.550 -0.480 8.286 147 2HD PRO 20 2HD PRO 20 9.936 0.532 8.721 148 H CYS 21 H CYS 21 10.944 1.150 3.418 149 HA CYS 21 HA CYS 21 8.508 0.468 2.166 150 1HB CYS 21 1HB CYS 21 10.217 2.273 1.524 151 2HB CYS 21 2HB CYS 21 11.076 0.974 0.701 152 H SER 22 H SER 22 11.320 -1.357 2.789 153 HA SER 22 HA SER 22 11.158 -3.250 0.733 154 1HB SER 22 1HB SER 22 12.211 -3.559 3.542 155 2HB SER 22 2HB SER 22 12.549 -4.637 2.188 156 HG SER 22 HG SER 22 13.712 -2.308 2.848 157 H ARG 23 H ARG 23 9.037 -2.737 3.401 158 HA ARG 23 HA ARG 23 8.148 -5.489 3.637 159 1HB ARG 23 1HB ARG 23 6.890 -2.948 4.667 160 2HB ARG 23 2HB ARG 23 6.317 -4.562 5.019 161 1HG ARG 23 1HG ARG 23 8.439 -5.028 6.158 162 2HG ARG 23 2HG ARG 23 8.945 -3.366 5.830 163 1HD ARG 23 1HD ARG 23 7.011 -2.529 7.075 164 2HD ARG 23 2HD ARG 23 6.503 -4.188 7.395 165 HE ARG 23 HE ARG 23 9.097 -3.931 8.314 166 1HH1 ARG 23 1HH1 ARG 23 5.903 -2.623 9.121 167 2HH1 ARG 23 2HH1 ARG 23 6.291 -2.313 10.737 168 1HH2 ARG 23 1HH2 ARG 23 9.613 -3.518 10.518 169 2HH2 ARG 23 2HH2 ARG 23 8.458 -2.822 11.562 170 H ILE 24 H ILE 24 7.514 -2.919 1.522 171 HA ILE 24 HA ILE 24 4.727 -3.258 1.153 172 HB ILE 24 HB ILE 24 6.701 -2.021 -0.796 173 1HG1 ILE 24 1HG1 ILE 24 6.710 -0.950 1.497 174 2HG1 ILE 24 2HG1 ILE 24 6.226 0.123 0.195 175 1HG2 ILE 24 1HG2 ILE 24 4.718 -0.883 -1.686 176 2HG2 ILE 24 2HG2 ILE 24 3.735 -1.812 -0.530 177 3HG2 ILE 24 3HG2 ILE 24 4.609 -2.654 -1.785 178 1HD1 ILE 24 1HD1 ILE 24 4.906 0.427 2.235 179 2HD1 ILE 24 2HD1 ILE 24 4.318 -1.236 2.119 180 3HD1 ILE 24 3HD1 ILE 24 3.947 -0.050 0.849 181 H LYS 25 H LYS 25 3.663 -4.752 0.064 182 HA LYS 25 HA LYS 25 5.029 -6.463 -1.922 183 1HB LYS 25 1HB LYS 25 3.771 -7.437 -0.069 184 2HB LYS 25 2HB LYS 25 2.320 -6.658 -0.664 185 1HG LYS 25 1HG LYS 25 2.683 -7.819 -2.871 186 2HG LYS 25 2HG LYS 25 3.927 -8.775 -2.072 187 1HD LYS 25 1HD LYS 25 1.078 -8.570 -1.247 188 2HD LYS 25 2HD LYS 25 1.755 -9.881 -2.238 189 1HE LYS 25 1HE LYS 25 3.274 -10.429 -0.301 190 2HE LYS 25 2HE LYS 25 2.433 -9.177 0.621 191 1HZ LYS 25 1HZ LYS 25 1.167 -11.603 -0.501 192 2HZ LYS 25 2HZ LYS 25 0.386 -10.451 0.421 193 3HZ LYS 25 3HZ LYS 25 1.578 -11.433 1.115 194 H THR 26 H THR 26 1.864 -4.957 -1.432 195 HA THR 26 HA THR 26 1.926 -3.818 -4.088 196 HB THR 26 HB THR 26 0.863 -6.072 -4.352 197 HG1 THR 26 HG1 THR 26 -1.047 -5.286 -5.351 198 1HG2 THR 26 1HG2 THR 26 -0.051 -6.349 -2.105 199 2HG2 THR 26 2HG2 THR 26 -1.327 -6.518 -3.313 200 3HG2 THR 26 3HG2 THR 26 -1.179 -5.023 -2.386 201 H TYR 27 H TYR 27 -0.015 -2.326 -4.302 202 HA TYR 27 HA TYR 27 -0.994 -1.451 -1.697 203 1HB TYR 27 1HB TYR 27 -0.674 0.922 -2.241 204 2HB TYR 27 2HB TYR 27 0.860 0.158 -2.381 205 HD1 TYR 27 HD1 TYR 27 2.040 0.168 -4.438 206 HD2 TYR 27 HD2 TYR 27 -1.984 1.461 -4.239 207 HE1 TYR 27 HE1 TYR 27 2.231 1.149 -6.722 208 HE2 TYR 27 HE2 TYR 27 -1.863 2.397 -6.428 209 HH TYR 27 HH TYR 27 0.724 1.728 -8.576 210 H THR 28 H THR 28 -2.904 -0.169 -1.898 211 HA THR 28 HA THR 28 -4.407 -0.418 -4.381 212 HB THR 28 HB THR 28 -5.509 -1.095 -1.663 213 HG1 THR 28 HG1 THR 28 -4.279 -2.627 -3.628 214 1HG2 THR 28 1HG2 THR 28 -7.465 -1.925 -2.941 215 2HG2 THR 28 2HG2 THR 28 -6.691 -1.399 -4.433 216 3HG2 THR 28 3HG2 THR 28 -7.172 -0.209 -3.221 217 H ILE 29 H ILE 29 -4.969 1.618 -4.782 218 HA ILE 29 HA ILE 29 -5.286 3.475 -2.550 219 HB ILE 29 HB ILE 29 -5.362 4.069 -5.538 220 1HG1 ILE 29 1HG1 ILE 29 -3.068 4.551 -3.552 221 2HG1 ILE 29 2HG1 ILE 29 -3.079 3.347 -4.806 222 1HG2 ILE 29 1HG2 ILE 29 -6.633 5.702 -4.257 223 2HG2 ILE 29 2HG2 ILE 29 -5.132 6.431 -4.840 224 3HG2 ILE 29 3HG2 ILE 29 -5.272 5.925 -3.159 225 1HD1 ILE 29 1HD1 ILE 29 -3.194 6.303 -5.207 226 2HD1 ILE 29 2HD1 ILE 29 -3.175 5.091 -6.493 227 3HD1 ILE 29 3HD1 ILE 29 -1.777 5.271 -5.426 228 H THR 30 H THR 30 -7.225 4.148 -1.869 229 HA THR 30 HA THR 30 -9.540 2.976 -3.198 230 HB THR 30 HB THR 30 -10.709 3.429 -1.019 231 HG1 THR 30 HG1 THR 30 -9.607 4.919 0.075 232 1HG2 THR 30 1HG2 THR 30 -9.593 1.595 0.198 233 2HG2 THR 30 2HG2 THR 30 -8.201 1.734 -0.877 234 3HG2 THR 30 3HG2 THR 30 -9.760 1.221 -1.517 235 H GLU 31 H GLU 31 -10.880 4.167 -4.279 236 HA GLU 31 HA GLU 31 -10.825 7.086 -4.028 237 1HB GLU 31 1HB GLU 31 -11.977 5.261 -6.137 238 2HB GLU 31 2HB GLU 31 -12.088 7.012 -6.162 239 1HG GLU 31 1HG GLU 31 -9.678 7.185 -6.353 240 2HG GLU 31 2HG GLU 31 -9.528 5.433 -6.232 241 H GLY 32 H GLY 32 -12.555 8.146 -3.161 242 1HA GLY 32 1HA GLY 32 -15.157 7.836 -3.514 243 2HA GLY 32 2HA GLY 32 -14.828 6.634 -2.268 244 H SER 33 H SER 33 -14.559 7.248 -0.267 245 HA SER 33 HA SER 33 -14.851 10.102 0.300 246 1HB SER 33 1HB SER 33 -16.605 8.596 1.218 247 2HB SER 33 2HB SER 33 -15.363 7.702 2.089 248 HG SER 33 HG SER 33 -16.563 10.079 2.649 249 H LEU 34 H LEU 34 -13.219 7.189 1.518 250 HA LEU 34 HA LEU 34 -11.181 8.852 2.751 251 1HB LEU 34 1HB LEU 34 -11.694 5.876 2.879 252 2HB LEU 34 2HB LEU 34 -10.457 6.729 3.787 253 HG LEU 34 HG LEU 34 -13.406 7.100 4.065 254 1HD1 LEU 34 1HD1 LEU 34 -11.427 5.687 5.851 255 2HD1 LEU 34 2HD1 LEU 34 -12.717 4.930 4.911 256 3HD1 LEU 34 3HD1 LEU 34 -13.113 5.997 6.255 257 1HD2 LEU 34 1HD2 LEU 34 -12.208 9.117 4.594 258 2HD2 LEU 34 2HD2 LEU 34 -11.118 8.223 5.653 259 3HD2 LEU 34 3HD2 LEU 34 -12.823 8.382 6.073 260 H ARG 35 H ARG 35 -9.693 9.468 1.279 261 HA ARG 35 HA ARG 35 -8.899 7.655 -0.836 262 1HB ARG 35 1HB ARG 35 -9.031 10.152 -1.169 263 2HB ARG 35 2HB ARG 35 -7.730 10.328 -0.012 264 1HG ARG 35 1HG ARG 35 -6.872 10.539 -2.255 265 2HG ARG 35 2HG ARG 35 -6.248 9.066 -1.516 266 1HD ARG 35 1HD ARG 35 -6.949 8.743 -3.866 267 2HD ARG 35 2HD ARG 35 -7.843 7.717 -2.745 268 HE ARG 35 HE ARG 35 -9.603 9.485 -2.874 269 1HH1 ARG 35 1HH1 ARG 35 -7.449 8.858 -5.646 270 2HH1 ARG 35 2HH1 ARG 35 -8.559 9.439 -6.771 271 1HH2 ARG 35 1HH2 ARG 35 -11.125 10.225 -4.489 272 2HH2 ARG 35 2HH2 ARG 35 -10.675 10.189 -6.123 273 H ALA 36 H ALA 36 -7.656 6.030 -0.198 274 HA ALA 36 HA ALA 36 -5.458 6.597 1.626 275 1HB ALA 36 1HB ALA 36 -5.986 4.580 2.880 276 2HB ALA 36 2HB ALA 36 -7.422 4.334 1.891 277 3HB ALA 36 3HB ALA 36 -7.324 5.732 2.959 278 H VAL 37 H VAL 37 -3.640 5.497 1.060 279 HA VAL 37 HA VAL 37 -4.064 3.463 -0.915 280 HB VAL 37 HB VAL 37 -2.521 5.174 -1.700 281 1HG1 VAL 37 1HG1 VAL 37 -0.416 5.622 -0.592 282 2HG1 VAL 37 2HG1 VAL 37 -0.923 4.607 0.761 283 3HG1 VAL 37 3HG1 VAL 37 -1.806 6.092 0.388 284 1HG2 VAL 37 1HG2 VAL 37 -0.552 3.807 -2.179 285 2HG2 VAL 37 2HG2 VAL 37 -2.047 2.885 -2.359 286 3HG2 VAL 37 3HG2 VAL 37 -1.046 2.677 -0.921 287 H ILE 38 H ILE 38 -4.093 1.595 -0.259 288 HA ILE 38 HA ILE 38 -3.154 0.975 2.424 289 HB ILE 38 HB ILE 38 -5.072 -0.526 0.612 290 1HG1 ILE 38 1HG1 ILE 38 -5.581 1.132 3.096 291 2HG1 ILE 38 2HG1 ILE 38 -5.964 1.604 1.449 292 1HG2 ILE 38 1HG2 ILE 38 -4.315 -1.081 3.489 293 2HG2 ILE 38 2HG2 ILE 38 -3.889 -2.072 2.094 294 3HG2 ILE 38 3HG2 ILE 38 -5.576 -1.918 2.582 295 1HD1 ILE 38 1HD1 ILE 38 -7.566 -0.220 1.299 296 2HD1 ILE 38 2HD1 ILE 38 -7.935 0.856 2.649 297 3HD1 ILE 38 3HD1 ILE 38 -7.175 -0.708 2.948 298 H PHE 39 H PHE 39 -1.369 -0.035 2.615 299 HA PHE 39 HA PHE 39 -0.238 -1.431 0.326 300 1HB PHE 39 1HB PHE 39 1.039 -0.352 2.824 301 2HB PHE 39 2HB PHE 39 1.877 -1.335 1.630 302 HD1 PHE 39 HD1 PHE 39 2.228 -0.509 -0.610 303 HD2 PHE 39 HD2 PHE 39 0.575 1.929 2.434 304 HE1 PHE 39 HE1 PHE 39 2.728 1.469 -1.949 305 HE2 PHE 39 HE2 PHE 39 1.056 3.906 1.115 306 HZ PHE 39 HZ PHE 39 2.146 3.650 -1.135 307 H ILE 40 H ILE 40 0.005 -3.470 0.366 308 HA ILE 40 HA ILE 40 -0.655 -4.842 2.851 309 HB ILE 40 HB ILE 40 -0.300 -6.180 0.157 310 1HG1 ILE 40 1HG1 ILE 40 -1.979 -4.420 -0.185 311 2HG1 ILE 40 2HG1 ILE 40 -2.710 -6.004 -0.237 312 1HG2 ILE 40 1HG2 ILE 40 -1.832 -7.836 1.214 313 2HG2 ILE 40 2HG2 ILE 40 -1.877 -6.773 2.639 314 3HG2 ILE 40 3HG2 ILE 40 -0.368 -7.557 2.185 315 1HD1 ILE 40 1HD1 ILE 40 -2.819 -4.109 2.132 316 2HD1 ILE 40 2HD1 ILE 40 -3.563 -5.699 2.062 317 3HD1 ILE 40 3HD1 ILE 40 -4.128 -4.412 0.994 318 H THR 41 H THR 41 0.971 -5.839 3.876 319 HA THR 41 HA THR 41 3.614 -5.454 2.823 320 HB THR 41 HB THR 41 4.358 -6.424 4.991 321 HG1 THR 41 HG1 THR 41 2.489 -6.541 6.543 322 1HG2 THR 41 1HG2 THR 41 3.939 -4.010 4.780 323 2HG2 THR 41 2HG2 THR 41 3.556 -4.585 6.396 324 3HG2 THR 41 3HG2 THR 41 2.257 -4.262 5.247 325 H LYS 42 H LYS 42 5.193 -7.301 2.954 326 HA LYS 42 HA LYS 42 4.186 -9.491 1.419 327 1HB LYS 42 1HB LYS 42 6.881 -9.103 2.689 328 2HB LYS 42 2HB LYS 42 6.491 -10.352 1.517 329 1HG LYS 42 1HG LYS 42 6.004 -8.634 -0.155 330 2HG LYS 42 2HG LYS 42 6.397 -7.382 1.021 331 1HD LYS 42 1HD LYS 42 8.283 -9.492 -0.029 332 2HD LYS 42 2HD LYS 42 8.272 -7.791 -0.492 333 1HE LYS 42 1HE LYS 42 8.748 -7.190 1.865 334 2HE LYS 42 2HE LYS 42 8.828 -8.910 2.248 335 1HZ LYS 42 1HZ LYS 42 10.600 -7.472 0.371 336 2HZ LYS 42 2HZ LYS 42 10.690 -9.115 0.721 337 3HZ LYS 42 3HZ LYS 42 11.002 -7.984 1.920 338 H ARG 43 H ARG 43 4.351 -8.837 4.674 339 HA ARG 43 HA ARG 43 4.437 -11.549 5.635 340 1HB ARG 43 1HB ARG 43 5.104 -9.310 6.828 341 2HB ARG 43 2HB ARG 43 3.397 -9.075 7.074 342 1HG ARG 43 1HG ARG 43 4.727 -11.551 8.147 343 2HG ARG 43 2HG ARG 43 4.965 -10.026 8.964 344 1HD ARG 43 1HD ARG 43 3.227 -11.203 10.086 345 2HD ARG 43 2HD ARG 43 2.468 -9.888 9.215 346 HE ARG 43 HE ARG 43 2.306 -12.086 7.573 347 1HH1 ARG 43 1HH1 ARG 43 1.184 -11.276 10.845 348 2HH1 ARG 43 2HH1 ARG 43 -0.178 -12.296 10.721 349 1HH2 ARG 43 1HH2 ARG 43 0.461 -13.458 7.462 350 2HH2 ARG 43 2HH2 ARG 43 -0.593 -13.544 8.799 351 H GLY 44 H GLY 44 2.159 -9.364 4.246 352 1HA GLY 44 1HA GLY 44 0.154 -10.146 3.260 353 2HA GLY 44 2HA GLY 44 0.059 -11.386 4.499 354 H LEU 45 H LEU 45 0.805 -8.249 5.635 355 HA LEU 45 HA LEU 45 -1.954 -8.047 6.655 356 1HB LEU 45 1HB LEU 45 0.541 -6.678 7.592 357 2HB LEU 45 2HB LEU 45 -1.047 -6.567 8.324 358 HG LEU 45 HG LEU 45 0.737 -8.942 8.190 359 1HD1 LEU 45 1HD1 LEU 45 -0.299 -7.300 10.467 360 2HD1 LEU 45 2HD1 LEU 45 1.371 -7.367 9.869 361 3HD1 LEU 45 3HD1 LEU 45 0.638 -8.785 10.628 362 1HD2 LEU 45 1HD2 LEU 45 -1.491 -9.756 7.874 363 2HD2 LEU 45 2HD2 LEU 45 -2.099 -8.769 9.185 364 3HD2 LEU 45 3HD2 LEU 45 -1.014 -10.121 9.535 365 H LYS 46 H LYS 46 -2.898 -6.138 6.804 366 HA LYS 46 HA LYS 46 -2.358 -4.556 4.414 367 1HB LYS 46 1HB LYS 46 -4.778 -4.083 4.426 368 2HB LYS 46 2HB LYS 46 -4.420 -5.801 4.298 369 1HG LYS 46 1HG LYS 46 -4.707 -5.850 6.815 370 2HG LYS 46 2HG LYS 46 -5.460 -4.272 6.638 371 1HD LYS 46 1HD LYS 46 -6.283 -6.824 5.342 372 2HD LYS 46 2HD LYS 46 -7.150 -6.024 6.652 373 1HE LYS 46 1HE LYS 46 -7.448 -4.030 5.113 374 2HE LYS 46 2HE LYS 46 -6.782 -5.026 3.818 375 1HZ LYS 46 1HZ LYS 46 -8.645 -6.575 4.128 376 2HZ LYS 46 2HZ LYS 46 -9.206 -5.022 3.790 377 3HZ LYS 46 3HZ LYS 46 -9.243 -5.594 5.369 378 H VAL 47 H VAL 47 -1.658 -2.701 4.735 379 HA VAL 47 HA VAL 47 -2.234 -1.274 7.256 380 HB VAL 47 HB VAL 47 0.279 -0.993 5.565 381 1HG1 VAL 47 1HG1 VAL 47 1.214 0.257 7.453 382 2HG1 VAL 47 2HG1 VAL 47 -0.319 0.112 8.300 383 3HG1 VAL 47 3HG1 VAL 47 -0.230 1.037 6.802 384 1HG2 VAL 47 1HG2 VAL 47 -0.078 -2.461 8.180 385 2HG2 VAL 47 2HG2 VAL 47 1.460 -2.190 7.363 386 3HG2 VAL 47 3HG2 VAL 47 0.225 -3.193 6.605 387 H CYS 48 H CYS 48 -2.628 1.060 7.042 388 HA CYS 48 HA CYS 48 -2.994 1.870 4.256 389 1HB CYS 48 1HB CYS 48 -4.957 3.193 4.937 390 2HB CYS 48 2HB CYS 48 -5.174 1.468 5.207 391 H ALA 49 H ALA 49 -2.241 3.746 3.638 392 HA ALA 49 HA ALA 49 -0.954 5.425 5.647 393 1HB ALA 49 1HB ALA 49 1.001 5.535 4.210 394 2HB ALA 49 2HB ALA 49 0.212 4.427 3.073 395 3HB ALA 49 3HB ALA 49 0.650 3.867 4.680 396 H ASP 50 H ASP 50 -0.594 7.575 5.011 397 HA ASP 50 HA ASP 50 -2.703 8.650 3.407 398 1HB ASP 50 1HB ASP 50 -1.918 9.838 5.422 399 2HB ASP 50 2HB ASP 50 -0.312 9.985 4.720 400 HA PRO 51 HA PRO 51 -0.428 8.166 -0.367 401 1HB PRO 51 1HB PRO 51 -2.109 9.567 -1.985 402 2HB PRO 51 2HB PRO 51 -2.427 7.917 -1.434 403 1HG PRO 51 1HG PRO 51 -3.475 10.507 -0.373 404 2HG PRO 51 2HG PRO 51 -4.335 8.978 -0.640 405 1HD PRO 51 1HD PRO 51 -3.507 9.769 1.796 406 2HD PRO 51 2HD PRO 51 -3.550 8.056 1.323 407 H GLN 52 H GLN 52 -0.808 11.173 1.226 408 HA GLN 52 HA GLN 52 0.677 12.574 -0.859 409 1HB GLN 52 1HB GLN 52 -0.656 13.616 1.644 410 2HB GLN 52 2HB GLN 52 0.167 14.611 0.458 411 1HG GLN 52 1HG GLN 52 -2.300 12.957 -0.058 412 2HG GLN 52 2HG GLN 52 -2.273 14.692 0.222 413 1HE2 GLN 52 1HE2 GLN 52 -1.595 12.146 -2.039 414 2HE2 GLN 52 2HE2 GLN 52 -1.353 13.169 -3.412 415 H ALA 53 H ALA 53 1.178 10.815 1.946 416 HA ALA 53 HA ALA 53 3.420 12.218 3.095 417 1HB ALA 53 1HB ALA 53 3.848 10.123 4.257 418 2HB ALA 53 2HB ALA 53 2.696 9.289 3.210 419 3HB ALA 53 3HB ALA 53 2.131 10.514 4.344 420 H THR 54 H THR 54 5.428 12.299 2.582 421 HA THR 54 HA THR 54 6.223 11.843 -0.013 422 HB THR 54 HB THR 54 7.982 12.120 2.424 423 HG1 THR 54 HG1 THR 54 6.495 13.964 0.854 424 1HG2 THR 54 1HG2 THR 54 9.550 13.183 0.855 425 2HG2 THR 54 2HG2 THR 54 8.433 12.877 -0.479 426 3HG2 THR 54 3HG2 THR 54 9.201 11.528 0.359 427 H TRP 55 H TRP 55 6.522 9.790 2.795 428 HA TRP 55 HA TRP 55 8.408 8.021 1.516 429 1HB TRP 55 1HB TRP 55 8.245 6.581 3.469 430 2HB TRP 55 2HB TRP 55 8.290 8.245 4.007 431 HD1 TRP 55 HD1 TRP 55 6.042 9.210 5.015 432 HE1 TRP 55 HE1 TRP 55 4.035 8.029 6.169 433 HE3 TRP 55 HE3 TRP 55 6.893 4.527 3.389 434 HZ2 TRP 55 HZ2 TRP 55 2.989 5.451 6.335 435 HZ3 TRP 55 HZ3 TRP 55 5.348 2.704 4.059 436 HH2 TRP 55 HH2 TRP 55 3.434 3.162 5.502 437 H VAL 56 H VAL 56 4.997 8.165 1.929 438 HA VAL 56 HA VAL 56 4.316 5.613 0.918 439 HB VAL 56 HB VAL 56 2.758 8.200 1.080 440 1HG1 VAL 56 1HG1 VAL 56 0.781 6.777 0.760 441 2HG1 VAL 56 2HG1 VAL 56 1.872 5.435 0.343 442 3HG1 VAL 56 3HG1 VAL 56 1.819 6.871 -0.659 443 1HG2 VAL 56 1HG2 VAL 56 3.406 7.252 3.215 444 2HG2 VAL 56 2HG2 VAL 56 2.682 5.712 2.751 445 3HG2 VAL 56 3HG2 VAL 56 1.667 7.144 2.952 446 H ARG 57 H ARG 57 4.428 8.832 -0.418 447 HA ARG 57 HA ARG 57 3.749 8.315 -3.055 448 1HB ARG 57 1HB ARG 57 5.735 10.304 -1.960 449 2HB ARG 57 2HB ARG 57 5.101 10.328 -3.598 450 1HG ARG 57 1HG ARG 57 2.888 10.693 -2.758 451 2HG ARG 57 2HG ARG 57 3.463 10.593 -1.096 452 1HD ARG 57 1HD ARG 57 3.185 12.936 -1.813 453 2HD ARG 57 2HD ARG 57 4.855 12.554 -1.413 454 HE ARG 57 HE ARG 57 4.613 12.116 -4.106 455 1HH1 ARG 57 1HH1 ARG 57 4.219 14.899 -1.964 456 2HH1 ARG 57 2HH1 ARG 57 4.668 16.050 -3.122 457 1HH2 ARG 57 1HH2 ARG 57 5.236 13.636 -5.678 458 2HH2 ARG 57 2HH2 ARG 57 5.272 15.309 -5.332 459 H ASP 58 H ASP 58 6.749 8.009 -1.354 460 HA ASP 58 HA ASP 58 8.351 7.398 -3.602 461 1HB ASP 58 1HB ASP 58 9.322 8.144 -1.455 462 2HB ASP 58 2HB ASP 58 8.842 6.616 -0.724 463 H CYS 59 H CYS 59 6.684 5.290 -1.249 464 HA CYS 59 HA CYS 59 7.671 2.937 -2.543 465 1HB CYS 59 1HB CYS 59 5.421 3.199 -0.591 466 2HB CYS 59 2HB CYS 59 6.108 1.717 -1.218 467 H VAL 60 H VAL 60 4.554 4.592 -2.591 468 HA VAL 60 HA VAL 60 3.194 2.659 -4.097 469 HB VAL 60 HB VAL 60 2.228 4.642 -2.785 470 1HG1 VAL 60 1HG1 VAL 60 3.495 6.428 -3.773 471 2HG1 VAL 60 2HG1 VAL 60 1.742 6.677 -4.024 472 3HG1 VAL 60 3HG1 VAL 60 2.752 6.047 -5.337 473 1HG2 VAL 60 1HG2 VAL 60 1.058 4.156 -5.513 474 2HG2 VAL 60 2HG2 VAL 60 0.229 4.904 -4.135 475 3HG2 VAL 60 3HG2 VAL 60 0.750 3.241 -4.037 476 H ARG 61 H ARG 61 5.474 5.042 -4.881 477 HA ARG 61 HA ARG 61 5.090 4.588 -7.745 478 1HB ARG 61 1HB ARG 61 6.605 6.768 -6.357 479 2HB ARG 61 2HB ARG 61 6.856 6.428 -8.065 480 1HG ARG 61 1HG ARG 61 4.207 7.142 -6.812 481 2HG ARG 61 2HG ARG 61 5.254 8.258 -7.696 482 1HD ARG 61 1HD ARG 61 5.065 6.851 -9.696 483 2HD ARG 61 2HD ARG 61 4.032 5.728 -8.829 484 HE ARG 61 HE ARG 61 3.011 8.375 -8.797 485 1HH1 ARG 61 1HH1 ARG 61 3.293 5.459 -10.819 486 2HH1 ARG 61 2HH1 ARG 61 1.847 5.739 -11.657 487 1HH2 ARG 61 1HH2 ARG 61 1.084 8.776 -9.986 488 2HH2 ARG 61 2HH2 ARG 61 0.553 7.701 -11.199 489 H SER 62 H SER 62 7.477 3.923 -5.287 490 HA SER 62 HA SER 62 9.425 3.073 -7.126 491 1HB SER 62 1HB SER 62 9.040 2.348 -4.215 492 2HB SER 62 2HB SER 62 10.446 1.849 -5.172 493 HG SER 62 HG SER 62 9.649 4.360 -4.267 494 H MET 63 H MET 63 6.701 1.413 -5.635 495 HA MET 63 HA MET 63 7.430 -1.152 -6.673 496 1HB MET 63 1HB MET 63 4.679 -0.149 -5.899 497 2HB MET 63 2HB MET 63 5.100 -1.828 -6.185 498 1HG MET 63 1HG MET 63 6.099 -0.064 -3.959 499 2HG MET 63 2HG MET 63 4.975 -1.414 -3.834 500 1HE MET 63 1HE MET 63 7.318 -4.486 -4.583 501 2HE MET 63 2HE MET 63 6.339 -3.601 -5.748 502 3HE MET 63 3HE MET 63 5.687 -3.975 -4.153 503 H ASP 64 H ASP 64 5.701 1.572 -7.833 504 HA ASP 64 HA ASP 64 4.643 0.484 -10.213 505 1HB ASP 64 1HB ASP 64 3.838 2.591 -9.227 506 2HB ASP 64 2HB ASP 64 5.414 3.320 -9.459 507 H ARG 65 H ARG 65 7.708 1.913 -9.318 508 HA ARG 65 HA ARG 65 8.878 1.815 -11.932 509 1HB ARG 65 1HB ARG 65 9.732 3.440 -10.344 510 2HB ARG 65 2HB ARG 65 10.089 2.186 -9.176 511 1HG ARG 65 1HG ARG 65 12.122 3.037 -10.236 512 2HG ARG 65 2HG ARG 65 11.875 1.331 -10.600 513 1HD ARG 65 1HD ARG 65 10.939 1.976 -12.795 514 2HD ARG 65 2HD ARG 65 11.271 3.668 -12.422 515 HE ARG 65 HE ARG 65 13.664 2.543 -12.086 516 1HH1 ARG 65 1HH1 ARG 65 11.357 2.347 -14.747 517 2HH1 ARG 65 2HH1 ARG 65 12.522 2.060 -15.942 518 1HH2 ARG 65 1HH2 ARG 65 15.322 2.168 -13.772 519 2HH2 ARG 65 2HH2 ARG 65 14.832 1.958 -15.377 520 H LYS 66 H LYS 66 8.701 -0.373 -9.204 521 HA LYS 66 HA LYS 66 10.646 -2.266 -10.046 522 1HB LYS 66 1HB LYS 66 8.096 -2.816 -8.499 523 2HB LYS 66 2HB LYS 66 9.472 -3.892 -8.621 524 1HG LYS 66 1HG LYS 66 9.435 -1.202 -7.270 525 2HG LYS 66 2HG LYS 66 9.391 -2.769 -6.465 526 1HD LYS 66 1HD LYS 66 11.614 -3.267 -7.386 527 2HD LYS 66 2HD LYS 66 11.631 -1.685 -8.167 528 1HE LYS 66 1HE LYS 66 11.449 -0.595 -5.989 529 2HE LYS 66 2HE LYS 66 11.423 -2.175 -5.202 530 1HZ LYS 66 1HZ LYS 66 13.621 -1.182 -5.132 531 2HZ LYS 66 2HZ LYS 66 13.651 -1.076 -6.813 532 3HZ LYS 66 3HZ LYS 66 13.643 -2.589 -6.072 533 H SER 67 H SER 67 7.339 -1.687 -10.844 534 HA SER 67 HA SER 67 7.033 -4.079 -12.424 535 1HB SER 67 1HB SER 67 5.229 -1.678 -12.098 536 2HB SER 67 2HB SER 67 4.772 -3.249 -12.756 537 HG SER 67 HG SER 67 5.485 -2.582 -10.099 538 H ASN 68 H ASN 68 6.030 -3.580 -14.739 539 HA ASN 68 HA ASN 68 7.986 -1.877 -16.043 540 1HB ASN 68 1HB ASN 68 6.098 -3.946 -17.166 541 2HB ASN 68 2HB ASN 68 7.122 -2.924 -18.163 542 1HD2 ASN 68 1HD2 ASN 68 7.087 -5.822 -17.856 543 2HD2 ASN 68 2HD2 ASN 68 8.677 -6.250 -17.342 544 H THR 69 H THR 69 7.521 0.110 -16.411 545 HA THR 69 HA THR 69 5.200 0.804 -17.873 546 HB THR 69 HB THR 69 4.226 0.965 -15.663 547 HG1 THR 69 HG1 THR 69 3.512 3.052 -15.841 548 1HG2 THR 69 1HG2 THR 69 5.165 2.482 -13.965 549 2HG2 THR 69 2HG2 THR 69 6.520 2.783 -15.084 550 3HG2 THR 69 3HG2 THR 69 6.268 1.166 -14.425 551 H ARG 70 H ARG 70 5.510 2.681 -19.003 552 HA ARG 70 HA ARG 70 6.507 4.489 -19.950 553 1HB ARG 70 1HB ARG 70 8.221 4.531 -17.451 554 2HB ARG 70 2HB ARG 70 8.153 5.820 -18.642 555 1HG ARG 70 1HG ARG 70 5.866 6.292 -18.106 556 2HG ARG 70 2HG ARG 70 5.757 4.856 -17.090 557 1HD ARG 70 1HD ARG 70 7.413 5.833 -15.565 558 2HD ARG 70 2HD ARG 70 7.494 7.267 -16.590 559 HE ARG 70 HE ARG 70 5.351 7.869 -15.936 560 1HH1 ARG 70 1HH1 ARG 70 6.390 4.915 -14.291 561 2HH1 ARG 70 2HH1 ARG 70 5.301 5.023 -12.996 562 1HH2 ARG 70 1HH2 ARG 70 3.840 8.092 -14.146 563 2HH2 ARG 70 2HH2 ARG 70 3.792 6.911 -12.917 564 H ASN 71 H ASN 71 8.876 2.403 -18.463 565 HA ASN 71 HA ASN 71 10.764 1.467 -19.047 566 1HB ASN 71 1HB ASN 71 9.455 0.236 -20.671 567 2HB ASN 71 2HB ASN 71 9.661 1.522 -21.860 568 1HD2 ASN 71 1HD2 ASN 71 11.238 -1.030 -20.102 569 2HD2 ASN 71 2HD2 ASN 71 12.607 -1.175 -21.127 570 H ASN 72 H ASN 72 12.280 2.727 -18.520 571 HA ASN 72 HA ASN 72 13.140 4.821 -20.371 572 1HB ASN 72 1HB ASN 72 13.813 4.392 -17.446 573 2HB ASN 72 2HB ASN 72 14.421 5.708 -18.438 574 1HD2 ASN 72 1HD2 ASN 72 12.990 7.376 -19.042 575 2HD2 ASN 72 2HD2 ASN 72 11.508 7.609 -18.219 576 H MET 73 H MET 73 15.221 4.763 -21.147 577 HA MET 73 HA MET 73 16.474 2.176 -20.963 578 1HB MET 73 1HB MET 73 17.298 4.616 -22.551 579 2HB MET 73 2HB MET 73 18.064 3.038 -22.657 580 1HG MET 73 1HG MET 73 15.966 2.075 -23.457 581 2HG MET 73 2HG MET 73 15.206 3.660 -23.357 582 1HE MET 73 1HE MET 73 15.467 3.097 -27.209 583 2HE MET 73 2HE MET 73 14.407 3.470 -25.845 584 3HE MET 73 3HE MET 73 15.150 1.877 -25.973 585 H ILE 74 H ILE 74 17.224 1.985 -18.970 586 HA ILE 74 HA ILE 74 19.571 3.597 -18.233 587 HB ILE 74 HB ILE 74 17.354 2.813 -16.297 588 1HG1 ILE 74 1HG1 ILE 74 18.109 5.580 -17.281 589 2HG1 ILE 74 2HG1 ILE 74 16.677 4.690 -17.778 590 1HG2 ILE 74 1HG2 ILE 74 19.566 2.797 -15.278 591 2HG2 ILE 74 2HG2 ILE 74 18.617 4.144 -14.655 592 3HG2 ILE 74 3HG2 ILE 74 19.870 4.434 -15.864 593 1HD1 ILE 74 1HD1 ILE 74 17.286 5.646 -14.989 594 2HD1 ILE 74 2HD1 ILE 74 15.847 4.757 -15.484 595 3HD1 ILE 74 3HD1 ILE 74 16.144 6.377 -16.117 596 H GLN 75 H GLN 75 21.183 2.118 -18.086 597 HA GLN 75 HA GLN 75 20.924 -0.131 -16.435 598 1HB GLN 75 1HB GLN 75 21.380 -1.881 -18.184 599 2HB GLN 75 2HB GLN 75 19.776 -1.181 -18.261 600 1HG GLN 75 1HG GLN 75 20.583 0.263 -20.132 601 2HG GLN 75 2HG GLN 75 22.108 -0.624 -20.085 602 1HE2 GLN 75 1HE2 GLN 75 21.841 -1.466 -22.154 603 2HE2 GLN 75 2HE2 GLN 75 20.680 -2.685 -22.498 Start of MODEL 4 1 1H GLY 2 1H GLY 2 -8.148 -19.507 -2.382 2 1HA GLY 2 1HA GLY 2 -7.997 -18.643 0.373 3 2HA GLY 2 2HA GLY 2 -7.469 -17.513 -0.871 4 H SER 3 H SER 3 -9.518 -16.869 0.729 5 HA SER 3 HA SER 3 -11.895 -17.197 -0.955 6 1HB SER 3 1HB SER 3 -11.681 -16.409 1.964 7 2HB SER 3 2HB SER 3 -13.172 -16.688 1.061 8 HG SER 3 HG SER 3 -12.598 -18.822 0.809 9 H GLU 4 H GLU 4 -13.222 -15.166 -1.094 10 HA GLU 4 HA GLU 4 -11.429 -12.987 -1.558 11 1HB GLU 4 1HB GLU 4 -14.400 -13.202 -2.070 12 2HB GLU 4 2HB GLU 4 -13.478 -11.742 -2.374 13 1HG GLU 4 1HG GLU 4 -13.795 -12.906 -4.438 14 2HG GLU 4 2HG GLU 4 -12.099 -13.003 -4.000 15 H VAL 5 H VAL 5 -10.756 -12.663 0.490 16 HA VAL 5 HA VAL 5 -12.524 -11.637 2.503 17 HB VAL 5 HB VAL 5 -9.488 -11.590 2.389 18 1HG1 VAL 5 1HG1 VAL 5 -9.586 -11.277 4.815 19 2HG1 VAL 5 2HG1 VAL 5 -11.346 -11.192 4.734 20 3HG1 VAL 5 3HG1 VAL 5 -10.366 -9.945 3.958 21 1HG2 VAL 5 1HG2 VAL 5 -10.339 -13.873 2.322 22 2HG2 VAL 5 2HG2 VAL 5 -11.344 -13.553 3.733 23 3HG2 VAL 5 3HG2 VAL 5 -9.586 -13.541 3.882 24 H SER 6 H SER 6 -13.120 -9.634 2.739 25 HA SER 6 HA SER 6 -13.524 -7.510 2.422 26 1HB SER 6 1HB SER 6 -11.609 -5.901 2.358 27 2HB SER 6 2HB SER 6 -11.449 -7.109 3.621 28 HG SER 6 HG SER 6 -10.272 -8.088 1.488 29 H ASP 7 H ASP 7 -12.763 -5.480 0.869 30 HA ASP 7 HA ASP 7 -12.823 -6.347 -1.906 31 1HB ASP 7 1HB ASP 7 -15.221 -6.155 -0.886 32 2HB ASP 7 2HB ASP 7 -14.886 -4.437 -0.734 33 H LYS 8 H LYS 8 -13.399 -3.571 -2.706 34 HA LYS 8 HA LYS 8 -10.954 -2.365 -1.682 35 1HB LYS 8 1HB LYS 8 -12.811 -1.383 -3.831 36 2HB LYS 8 2HB LYS 8 -11.394 -0.513 -3.283 37 1HG LYS 8 1HG LYS 8 -10.029 -2.484 -3.981 38 2HG LYS 8 2HG LYS 8 -11.486 -3.140 -4.735 39 1HD LYS 8 1HD LYS 8 -10.281 -0.470 -5.263 40 2HD LYS 8 2HD LYS 8 -10.066 -1.866 -6.340 41 1HE LYS 8 1HE LYS 8 -12.658 -0.403 -5.692 42 2HE LYS 8 2HE LYS 8 -11.788 -0.344 -7.215 43 1HZ LYS 8 1HZ LYS 8 -12.251 -2.700 -7.530 44 2HZ LYS 8 2HZ LYS 8 -13.653 -1.809 -7.349 45 3HZ LYS 8 3HZ LYS 8 -13.118 -2.755 -6.078 46 H ARG 9 H ARG 9 -10.970 -0.134 -1.102 47 HA ARG 9 HA ARG 9 -11.561 1.587 0.286 48 1HB ARG 9 1HB ARG 9 -14.351 0.874 -0.644 49 2HB ARG 9 2HB ARG 9 -13.961 2.325 0.259 50 1HG ARG 9 1HG ARG 9 -12.555 3.101 -1.578 51 2HG ARG 9 2HG ARG 9 -12.899 1.616 -2.473 52 1HD ARG 9 1HD ARG 9 -15.282 2.196 -2.499 53 2HD ARG 9 2HD ARG 9 -14.928 3.676 -1.608 54 HE ARG 9 HE ARG 9 -13.347 3.836 -3.828 55 1HH1 ARG 9 1HH1 ARG 9 -16.850 3.360 -3.359 56 2HH1 ARG 9 2HH1 ARG 9 -17.258 4.181 -4.791 57 1HH2 ARG 9 1HH2 ARG 9 -13.950 4.975 -5.766 58 2HH2 ARG 9 2HH2 ARG 9 -15.592 5.125 -6.180 59 H THR 10 H THR 10 -11.506 -1.261 1.343 60 HA THR 10 HA THR 10 -13.498 -1.466 3.359 61 HB THR 10 HB THR 10 -10.813 -2.881 3.193 62 HG1 THR 10 HG1 THR 10 -13.276 -3.223 1.934 63 1HG2 THR 10 1HG2 THR 10 -11.912 -3.108 5.390 64 2HG2 THR 10 2HG2 THR 10 -11.919 -4.641 4.518 65 3HG2 THR 10 3HG2 THR 10 -13.383 -3.660 4.593 66 H CYS 11 H CYS 11 -10.436 0.175 3.218 67 HA CYS 11 HA CYS 11 -10.558 0.584 6.120 68 1HB CYS 11 1HB CYS 11 -8.529 -0.583 5.386 69 2HB CYS 11 2HB CYS 11 -8.184 0.715 4.258 70 H VAL 12 H VAL 12 -10.447 2.640 6.890 71 HA VAL 12 HA VAL 12 -10.547 4.841 4.930 72 HB VAL 12 HB VAL 12 -11.978 6.047 6.519 73 1HG1 VAL 12 1HG1 VAL 12 -14.067 4.761 6.022 74 2HG1 VAL 12 2HG1 VAL 12 -13.066 3.385 5.550 75 3HG1 VAL 12 3HG1 VAL 12 -13.003 4.887 4.623 76 1HG2 VAL 12 1HG2 VAL 12 -12.180 3.399 7.954 77 2HG2 VAL 12 2HG2 VAL 12 -13.187 4.806 8.292 78 3HG2 VAL 12 3HG2 VAL 12 -11.447 4.879 8.573 79 H SER 13 H SER 13 -8.919 3.534 7.502 80 HA SER 13 HA SER 13 -8.225 6.016 8.754 81 1HB SER 13 1HB SER 13 -7.285 3.219 9.136 82 2HB SER 13 2HB SER 13 -6.895 4.603 10.203 83 HG SER 13 HG SER 13 -9.412 4.692 10.080 84 H LEU 14 H LEU 14 -5.927 6.563 9.075 85 HA LEU 14 HA LEU 14 -4.209 5.837 6.816 86 1HB LEU 14 1HB LEU 14 -4.580 8.590 8.018 87 2HB LEU 14 2HB LEU 14 -3.483 8.183 6.715 88 HG LEU 14 HG LEU 14 -6.486 8.055 6.560 89 1HD1 LEU 14 1HD1 LEU 14 -6.316 9.997 5.079 90 2HD1 LEU 14 2HD1 LEU 14 -4.586 10.080 5.378 91 3HD1 LEU 14 3HD1 LEU 14 -5.726 10.359 6.696 92 1HD2 LEU 14 1HD2 LEU 14 -4.386 7.661 4.433 93 2HD2 LEU 14 2HD2 LEU 14 -6.113 7.798 4.129 94 3HD2 LEU 14 3HD2 LEU 14 -5.490 6.441 5.071 95 H THR 15 H THR 15 -1.877 6.308 7.457 96 HA THR 15 HA THR 15 -1.592 6.267 10.356 97 HB THR 15 HB THR 15 -1.573 3.891 9.314 98 HG1 THR 15 HG1 THR 15 -0.375 4.794 11.376 99 1HG2 THR 15 1HG2 THR 15 -0.166 4.391 7.352 100 2HG2 THR 15 2HG2 THR 15 0.578 3.154 8.365 101 3HG2 THR 15 3HG2 THR 15 1.171 4.813 8.424 102 H THR 16 H THR 16 0.413 7.031 11.105 103 HA THR 16 HA THR 16 1.859 8.640 9.179 104 HB THR 16 HB THR 16 2.771 9.715 11.279 105 HG1 THR 16 HG1 THR 16 2.175 8.958 13.134 106 1HG2 THR 16 1HG2 THR 16 0.727 11.006 11.685 107 2HG2 THR 16 2HG2 THR 16 -0.221 9.754 10.877 108 3HG2 THR 16 3HG2 THR 16 0.943 10.705 9.959 109 H GLN 17 H GLN 17 2.105 5.744 10.943 110 HA GLN 17 HA GLN 17 4.912 5.817 11.312 111 1HB GLN 17 1HB GLN 17 4.763 3.419 11.827 112 2HB GLN 17 2HB GLN 17 3.560 4.338 12.705 113 1HG GLN 17 1HG GLN 17 1.870 3.620 11.038 114 2HG GLN 17 2HG GLN 17 3.110 2.636 10.263 115 1HE2 GLN 17 1HE2 GLN 17 1.027 2.979 12.994 116 2HE2 GLN 17 2HE2 GLN 17 1.272 1.395 13.635 117 H ARG 18 H ARG 18 6.455 5.292 10.019 118 HA ARG 18 HA ARG 18 5.650 4.936 7.246 119 1HB ARG 18 1HB ARG 18 8.324 5.767 8.314 120 2HB ARG 18 2HB ARG 18 7.775 5.736 6.633 121 1HG ARG 18 1HG ARG 18 6.002 7.341 7.232 122 2HG ARG 18 2HG ARG 18 6.736 7.481 8.833 123 1HD ARG 18 1HD ARG 18 8.053 7.938 6.240 124 2HD ARG 18 2HD ARG 18 7.409 9.249 7.241 125 HE ARG 18 HE ARG 18 9.381 7.469 8.459 126 1HH1 ARG 18 1HH1 ARG 18 8.793 10.681 7.005 127 2HH1 ARG 18 2HH1 ARG 18 10.249 11.337 7.545 128 1HH2 ARG 18 1HH2 ARG 18 11.417 8.416 9.192 129 2HH2 ARG 18 2HH2 ARG 18 11.783 10.027 8.794 130 H LEU 19 H LEU 19 6.100 3.148 6.157 131 HA LEU 19 HA LEU 19 7.961 1.208 7.292 132 1HB LEU 19 1HB LEU 19 5.533 0.724 5.542 133 2HB LEU 19 2HB LEU 19 6.693 -0.503 5.962 134 HG LEU 19 HG LEU 19 6.002 -0.185 8.380 135 1HD1 LEU 19 1HD1 LEU 19 3.744 1.385 7.153 136 2HD1 LEU 19 2HD1 LEU 19 4.997 2.012 8.225 137 3HD1 LEU 19 3HD1 LEU 19 3.832 0.832 8.827 138 1HD2 LEU 19 1HD2 LEU 19 3.912 -1.088 6.414 139 2HD2 LEU 19 2HD2 LEU 19 3.958 -1.498 8.129 140 3HD2 LEU 19 3HD2 LEU 19 5.243 -2.053 7.053 141 HA PRO 20 HA PRO 20 10.185 1.979 3.426 142 1HB PRO 20 1HB PRO 20 12.017 0.059 3.710 143 2HB PRO 20 2HB PRO 20 12.072 1.496 4.746 144 1HG PRO 20 1HG PRO 20 10.990 -1.230 5.336 145 2HG PRO 20 2HG PRO 20 12.036 -0.208 6.334 146 1HD PRO 20 1HD PRO 20 9.362 -0.369 6.732 147 2HD PRO 20 2HD PRO 20 10.268 1.122 7.043 148 H CYS 21 H CYS 21 10.737 0.848 1.560 149 HA CYS 21 HA CYS 21 8.573 -0.674 0.653 150 1HB CYS 21 1HB CYS 21 11.235 -0.104 -0.635 151 2HB CYS 21 2HB CYS 21 9.838 -0.825 -1.425 152 H SER 22 H SER 22 11.393 -1.549 2.248 153 HA SER 22 HA SER 22 11.760 -4.177 1.333 154 1HB SER 22 1HB SER 22 13.429 -2.937 2.694 155 2HB SER 22 2HB SER 22 12.336 -2.992 4.072 156 HG SER 22 HG SER 22 13.453 -4.754 4.474 157 H ARG 23 H ARG 23 9.404 -2.697 3.434 158 HA ARG 23 HA ARG 23 8.450 -5.315 4.368 159 1HB ARG 23 1HB ARG 23 7.443 -2.552 5.060 160 2HB ARG 23 2HB ARG 23 6.925 -4.054 5.804 161 1HG ARG 23 1HG ARG 23 9.166 -4.380 6.686 162 2HG ARG 23 2HG ARG 23 9.674 -2.848 5.960 163 1HD ARG 23 1HD ARG 23 7.875 -1.735 7.294 164 2HD ARG 23 2HD ARG 23 7.596 -3.269 8.101 165 HE ARG 23 HE ARG 23 10.316 -2.597 8.233 166 1HH1 ARG 23 1HH1 ARG 23 7.189 -1.768 9.703 167 2HH1 ARG 23 2HH1 ARG 23 7.876 -1.112 11.103 168 1HH2 ARG 23 1HH2 ARG 23 11.225 -1.681 10.135 169 2HH2 ARG 23 2HH2 ARG 23 10.237 -1.039 11.364 170 H ILE 24 H ILE 24 7.668 -2.599 2.357 171 HA ILE 24 HA ILE 24 4.962 -3.105 1.822 172 HB ILE 24 HB ILE 24 6.989 -1.751 -0.044 173 1HG1 ILE 24 1HG1 ILE 24 6.768 -0.683 2.257 174 2HG1 ILE 24 2HG1 ILE 24 6.350 0.343 0.901 175 1HG2 ILE 24 1HG2 ILE 24 5.029 -2.509 -1.173 176 2HG2 ILE 24 2HG2 ILE 24 5.054 -0.737 -1.087 177 3HG2 ILE 24 3HG2 ILE 24 4.011 -1.682 -0.010 178 1HD1 ILE 24 1HD1 ILE 24 4.387 -1.078 2.694 179 2HD1 ILE 24 2HD1 ILE 24 4.031 0.011 1.330 180 3HD1 ILE 24 3HD1 ILE 24 4.829 0.638 2.747 181 H LYS 25 H LYS 25 4.019 -4.594 0.593 182 HA LYS 25 HA LYS 25 5.631 -6.223 -1.278 183 1HB LYS 25 1HB LYS 25 4.261 -7.303 0.462 184 2HB LYS 25 2HB LYS 25 2.830 -6.596 -0.274 185 1HG LYS 25 1HG LYS 25 3.624 -7.698 -2.459 186 2HG LYS 25 2HG LYS 25 4.661 -8.676 -1.428 187 1HD LYS 25 1HD LYS 25 1.691 -8.420 -1.227 188 2HD LYS 25 2HD LYS 25 2.560 -9.750 -2.001 189 1HE LYS 25 1HE LYS 25 3.561 -10.308 0.188 190 2HE LYS 25 2HE LYS 25 2.661 -8.981 0.923 191 1HZ LYS 25 1HZ LYS 25 1.434 -11.365 -0.381 192 2HZ LYS 25 2HZ LYS 25 0.591 -10.102 0.312 193 3HZ LYS 25 3HZ LYS 25 1.523 -11.084 1.270 194 H THR 26 H THR 26 2.392 -4.860 -0.963 195 HA THR 26 HA THR 26 2.457 -3.844 -3.666 196 HB THR 26 HB THR 26 1.540 -6.170 -3.818 197 HG1 THR 26 HG1 THR 26 0.679 -4.611 -5.222 198 1HG2 THR 26 1HG2 THR 26 0.639 -6.375 -1.565 199 2HG2 THR 26 2HG2 THR 26 -0.607 -6.706 -2.769 200 3HG2 THR 26 3HG2 THR 26 -0.581 -5.154 -1.932 201 H TYR 27 H TYR 27 0.481 -2.477 -3.946 202 HA TYR 27 HA TYR 27 -0.650 -1.597 -1.408 203 1HB TYR 27 1HB TYR 27 -0.451 0.765 -2.056 204 2HB TYR 27 2HB TYR 27 1.142 0.108 -2.020 205 HD1 TYR 27 HD1 TYR 27 2.401 -0.193 -4.047 206 HD2 TYR 27 HD2 TYR 27 -1.548 1.311 -4.084 207 HE1 TYR 27 HE1 TYR 27 2.715 0.605 -6.374 208 HE2 TYR 27 HE2 TYR 27 -1.301 2.088 -6.304 209 HH TYR 27 HH TYR 27 0.643 2.758 -7.858 210 H THR 28 H THR 28 -2.583 -0.424 -1.742 211 HA THR 28 HA THR 28 -3.900 -0.702 -4.306 212 HB THR 28 HB THR 28 -5.140 -1.548 -1.695 213 HG1 THR 28 HG1 THR 28 -3.515 -2.882 -3.272 214 1HG2 THR 28 1HG2 THR 28 -6.759 -0.624 -3.287 215 2HG2 THR 28 2HG2 THR 28 -7.006 -2.362 -3.109 216 3HG2 THR 28 3HG2 THR 28 -6.181 -1.732 -4.535 217 H ILE 29 H ILE 29 -4.548 1.272 -4.731 218 HA ILE 29 HA ILE 29 -4.932 3.153 -2.542 219 HB ILE 29 HB ILE 29 -4.950 3.655 -5.550 220 1HG1 ILE 29 1HG1 ILE 29 -2.828 4.302 -3.469 221 2HG1 ILE 29 2HG1 ILE 29 -2.719 3.027 -4.669 222 1HG2 ILE 29 1HG2 ILE 29 -6.339 5.293 -4.366 223 2HG2 ILE 29 2HG2 ILE 29 -4.866 6.051 -4.974 224 3HG2 ILE 29 3HG2 ILE 29 -5.005 5.639 -3.264 225 1HD1 ILE 29 1HD1 ILE 29 -1.412 4.964 -5.310 226 2HD1 ILE 29 2HD1 ILE 29 -2.852 5.980 -5.232 227 3HD1 ILE 29 3HD1 ILE 29 -2.737 4.708 -6.447 228 H THR 30 H THR 30 -6.892 3.984 -1.989 229 HA THR 30 HA THR 30 -9.181 2.980 -3.480 230 HB THR 30 HB THR 30 -10.393 2.864 -1.309 231 HG1 THR 30 HG1 THR 30 -7.799 3.422 -0.265 232 1HG2 THR 30 1HG2 THR 30 -9.464 0.812 -2.267 233 2HG2 THR 30 2HG2 THR 30 -9.358 0.764 -0.507 234 3HG2 THR 30 3HG2 THR 30 -7.926 1.124 -1.466 235 H GLU 31 H GLU 31 -10.639 4.544 -3.978 236 HA GLU 31 HA GLU 31 -10.382 7.040 -2.602 237 1HB GLU 31 1HB GLU 31 -9.956 8.252 -4.721 238 2HB GLU 31 2HB GLU 31 -8.631 7.250 -4.137 239 1HG GLU 31 1HG GLU 31 -9.332 5.511 -5.766 240 2HG GLU 31 2HG GLU 31 -10.493 6.672 -6.416 241 H GLY 32 H GLY 32 -12.122 8.023 -2.454 242 1HA GLY 32 1HA GLY 32 -14.171 7.976 -4.529 243 2HA GLY 32 2HA GLY 32 -14.654 7.470 -2.902 244 H SER 33 H SER 33 -14.292 8.906 -1.181 245 HA SER 33 HA SER 33 -14.286 11.724 -1.971 246 1HB SER 33 1HB SER 33 -15.272 12.083 0.318 247 2HB SER 33 2HB SER 33 -16.272 11.084 -0.730 248 HG SER 33 HG SER 33 -15.879 9.382 0.438 249 H LEU 34 H LEU 34 -12.884 9.299 0.078 250 HA LEU 34 HA LEU 34 -10.616 11.028 0.780 251 1HB LEU 34 1HB LEU 34 -11.836 10.188 2.740 252 2HB LEU 34 2HB LEU 34 -11.767 8.556 2.105 253 HG LEU 34 HG LEU 34 -9.360 8.582 2.401 254 1HD1 LEU 34 1HD1 LEU 34 -8.306 10.315 3.805 255 2HD1 LEU 34 2HD1 LEU 34 -9.811 11.238 3.752 256 3HD1 LEU 34 3HD1 LEU 34 -8.900 10.949 2.272 257 1HD2 LEU 34 1HD2 LEU 34 -10.761 7.603 4.116 258 2HD2 LEU 34 2HD2 LEU 34 -10.949 9.169 4.898 259 3HD2 LEU 34 3HD2 LEU 34 -9.374 8.384 4.863 260 H ARG 35 H ARG 35 -8.553 10.158 0.325 261 HA ARG 35 HA ARG 35 -8.579 7.653 -1.186 262 1HB ARG 35 1HB ARG 35 -6.549 9.893 -1.375 263 2HB ARG 35 2HB ARG 35 -6.533 8.407 -2.317 264 1HG ARG 35 1HG ARG 35 -8.631 9.018 -3.273 265 2HG ARG 35 2HG ARG 35 -8.609 10.574 -2.433 266 1HD ARG 35 1HD ARG 35 -7.789 11.077 -4.574 267 2HD ARG 35 2HD ARG 35 -6.315 10.901 -3.620 268 HE ARG 35 HE ARG 35 -7.192 8.501 -4.956 269 1HH1 ARG 35 1HH1 ARG 35 -5.056 11.317 -5.198 270 2HH1 ARG 35 2HH1 ARG 35 -4.285 10.769 -6.616 271 1HH2 ARG 35 1HH2 ARG 35 -6.156 7.771 -6.880 272 2HH2 ARG 35 2HH2 ARG 35 -4.911 8.694 -7.603 273 H ALA 36 H ALA 36 -7.559 6.063 -0.318 274 HA ALA 36 HA ALA 36 -5.472 6.583 1.676 275 1HB ALA 36 1HB ALA 36 -6.302 4.725 3.014 276 2HB ALA 36 2HB ALA 36 -7.663 4.523 1.910 277 3HB ALA 36 3HB ALA 36 -7.520 5.995 2.883 278 H VAL 37 H VAL 37 -3.699 5.361 1.378 279 HA VAL 37 HA VAL 37 -3.773 3.435 -0.797 280 HB VAL 37 HB VAL 37 -1.395 4.515 0.711 281 1HG1 VAL 37 1HG1 VAL 37 -1.603 3.147 -1.957 282 2HG1 VAL 37 2HG1 VAL 37 -0.977 2.458 -0.461 283 3HG1 VAL 37 3HG1 VAL 37 -0.125 3.796 -1.241 284 1HG2 VAL 37 1HG2 VAL 37 -2.551 5.575 -1.873 285 2HG2 VAL 37 2HG2 VAL 37 -1.036 6.099 -1.106 286 3HG2 VAL 37 3HG2 VAL 37 -2.573 6.367 -0.300 287 H ILE 38 H ILE 38 -4.116 1.423 -0.104 288 HA ILE 38 HA ILE 38 -3.339 0.717 2.596 289 HB ILE 38 HB ILE 38 -4.864 -0.889 0.522 290 1HG1 ILE 38 1HG1 ILE 38 -5.847 0.584 2.978 291 2HG1 ILE 38 2HG1 ILE 38 -6.128 1.062 1.306 292 1HG2 ILE 38 1HG2 ILE 38 -5.411 -2.408 2.380 293 2HG2 ILE 38 2HG2 ILE 38 -4.375 -1.462 3.450 294 3HG2 ILE 38 3HG2 ILE 38 -3.671 -2.334 2.089 295 1HD1 ILE 38 1HD1 ILE 38 -7.119 -1.447 2.626 296 2HD1 ILE 38 2HD1 ILE 38 -7.412 -0.990 0.953 297 3HD1 ILE 38 3HD1 ILE 38 -8.086 -0.013 2.269 298 H PHE 39 H PHE 39 -1.445 -0.038 2.886 299 HA PHE 39 HA PHE 39 -0.031 -1.348 0.702 300 1HB PHE 39 1HB PHE 39 0.926 -0.110 3.253 301 2HB PHE 39 2HB PHE 39 1.926 -1.208 2.316 302 HD1 PHE 39 HD1 PHE 39 2.189 -0.660 -0.141 303 HD2 PHE 39 HD2 PHE 39 0.974 2.142 2.789 304 HE1 PHE 39 HE1 PHE 39 2.964 1.151 -1.585 305 HE2 PHE 39 HE2 PHE 39 1.731 3.969 1.355 306 HZ PHE 39 HZ PHE 39 2.751 3.407 -0.909 307 H ILE 40 H ILE 40 0.437 -3.386 0.765 308 HA ILE 40 HA ILE 40 -0.333 -4.792 3.210 309 HB ILE 40 HB ILE 40 0.180 -6.117 0.542 310 1HG1 ILE 40 1HG1 ILE 40 -1.579 -4.459 0.148 311 2HG1 ILE 40 2HG1 ILE 40 -2.228 -6.079 0.105 312 1HG2 ILE 40 1HG2 ILE 40 -1.299 -7.839 1.580 313 2HG2 ILE 40 2HG2 ILE 40 -1.394 -6.779 3.010 314 3HG2 ILE 40 3HG2 ILE 40 0.144 -7.499 2.554 315 1HD1 ILE 40 1HD1 ILE 40 -3.739 -4.551 1.318 316 2HD1 ILE 40 2HD1 ILE 40 -2.447 -4.191 2.468 317 3HD1 ILE 40 3HD1 ILE 40 -3.103 -5.821 2.361 318 H THR 41 H THR 41 1.250 -5.759 4.295 319 HA THR 41 HA THR 41 3.933 -5.402 3.301 320 HB THR 41 HB THR 41 4.607 -6.269 5.518 321 HG1 THR 41 HG1 THR 41 2.731 -6.391 7.038 322 1HG2 THR 41 1HG2 THR 41 4.196 -3.869 5.230 323 2HG2 THR 41 2HG2 THR 41 3.731 -4.386 6.849 324 3HG2 THR 41 3HG2 THR 41 2.495 -4.107 5.622 325 H LYS 42 H LYS 42 5.441 -7.245 3.459 326 HA LYS 42 HA LYS 42 4.452 -9.556 2.112 327 1HB LYS 42 1HB LYS 42 6.681 -10.443 2.347 328 2HB LYS 42 2HB LYS 42 6.689 -8.780 1.768 329 1HG LYS 42 1HG LYS 42 7.270 -8.004 3.982 330 2HG LYS 42 2HG LYS 42 7.227 -9.667 4.576 331 1HD LYS 42 1HD LYS 42 9.511 -9.113 4.122 332 2HD LYS 42 2HD LYS 42 8.827 -10.252 2.928 333 1HE LYS 42 1HE LYS 42 8.645 -8.607 1.257 334 2HE LYS 42 2HE LYS 42 8.969 -7.299 2.396 335 1HZ LYS 42 1HZ LYS 42 10.865 -7.782 0.995 336 2HZ LYS 42 2HZ LYS 42 10.935 -9.379 1.587 337 3HZ LYS 42 3HZ LYS 42 11.191 -8.073 2.615 338 H ARG 43 H ARG 43 4.339 -8.671 5.304 339 HA ARG 43 HA ARG 43 4.515 -11.290 6.502 340 1HB ARG 43 1HB ARG 43 5.046 -8.943 7.530 341 2HB ARG 43 2HB ARG 43 3.316 -8.772 7.697 342 1HG ARG 43 1HG ARG 43 4.974 -10.936 9.004 343 2HG ARG 43 2HG ARG 43 4.525 -9.431 9.777 344 1HD ARG 43 1HD ARG 43 2.143 -10.096 9.572 345 2HD ARG 43 2HD ARG 43 2.658 -11.629 8.854 346 HE ARG 43 HE ARG 43 3.956 -11.149 11.309 347 1HH1 ARG 43 1HH1 ARG 43 0.811 -12.212 10.058 348 2HH1 ARG 43 2HH1 ARG 43 0.406 -13.141 11.412 349 1HH2 ARG 43 1HH2 ARG 43 3.389 -12.414 13.202 350 2HH2 ARG 43 2HH2 ARG 43 1.913 -13.254 13.255 351 H GLY 44 H GLY 44 2.212 -9.345 4.824 352 1HA GLY 44 1HA GLY 44 0.228 -10.206 3.955 353 2HA GLY 44 2HA GLY 44 0.142 -11.355 5.285 354 H LEU 45 H LEU 45 0.915 -8.183 6.205 355 HA LEU 45 HA LEU 45 -1.812 -7.842 7.299 356 1HB LEU 45 1HB LEU 45 0.791 -6.561 8.067 357 2HB LEU 45 2HB LEU 45 -0.759 -6.255 8.820 358 HG LEU 45 HG LEU 45 0.743 -8.850 8.836 359 1HD1 LEU 45 1HD1 LEU 45 0.151 -6.853 10.994 360 2HD1 LEU 45 2HD1 LEU 45 1.736 -7.146 10.262 361 3HD1 LEU 45 3HD1 LEU 45 0.964 -8.398 11.250 362 1HD2 LEU 45 1HD2 LEU 45 -0.966 -9.607 10.420 363 2HD2 LEU 45 2HD2 LEU 45 -1.647 -9.251 8.835 364 3HD2 LEU 45 3HD2 LEU 45 -1.854 -8.107 10.165 365 H LYS 46 H LYS 46 -2.793 -6.022 7.305 366 HA LYS 46 HA LYS 46 -2.386 -4.500 4.862 367 1HB LYS 46 1HB LYS 46 -4.750 -5.007 6.622 368 2HB LYS 46 2HB LYS 46 -4.755 -3.840 5.303 369 1HG LYS 46 1HG LYS 46 -4.466 -5.481 3.708 370 2HG LYS 46 2HG LYS 46 -4.023 -6.709 4.907 371 1HD LYS 46 1HD LYS 46 -6.070 -6.816 5.729 372 2HD LYS 46 2HD LYS 46 -6.693 -5.349 4.917 373 1HE LYS 46 1HE LYS 46 -6.327 -6.494 2.771 374 2HE LYS 46 2HE LYS 46 -5.866 -7.972 3.634 375 1HZ LYS 46 1HZ LYS 46 -8.146 -8.085 2.929 376 2HZ LYS 46 2HZ LYS 46 -8.518 -6.625 3.651 377 3HZ LYS 46 3HZ LYS 46 -8.122 -7.965 4.606 378 H VAL 47 H VAL 47 -1.516 -2.672 5.048 379 HA VAL 47 HA VAL 47 -1.895 -1.135 7.503 380 HB VAL 47 HB VAL 47 0.325 -0.874 5.436 381 1HG1 VAL 47 1HG1 VAL 47 -0.120 1.264 6.515 382 2HG1 VAL 47 2HG1 VAL 47 1.433 0.615 7.040 383 3HG1 VAL 47 3HG1 VAL 47 0.030 0.505 8.099 384 1HG2 VAL 47 1HG2 VAL 47 1.806 -1.804 7.160 385 2HG2 VAL 47 2HG2 VAL 47 0.533 -2.937 6.703 386 3HG2 VAL 47 3HG2 VAL 47 0.413 -2.043 8.216 387 H CYS 48 H CYS 48 -2.502 1.130 7.223 388 HA CYS 48 HA CYS 48 -3.456 1.732 4.500 389 1HB CYS 48 1HB CYS 48 -4.689 2.532 7.143 390 2HB CYS 48 2HB CYS 48 -5.310 2.923 5.545 391 H ALA 49 H ALA 49 -2.611 3.598 3.721 392 HA ALA 49 HA ALA 49 -1.325 5.408 5.615 393 1HB ALA 49 1HB ALA 49 -0.125 4.339 3.083 394 2HB ALA 49 2HB ALA 49 0.297 3.839 4.717 395 3HB ALA 49 3HB ALA 49 0.628 5.493 4.191 396 H ASP 50 H ASP 50 -1.033 7.528 4.871 397 HA ASP 50 HA ASP 50 -3.155 8.459 3.167 398 1HB ASP 50 1HB ASP 50 -2.632 9.647 5.230 399 2HB ASP 50 2HB ASP 50 -0.989 9.900 4.682 400 HA PRO 51 HA PRO 51 -0.741 8.416 -0.557 401 1HB PRO 51 1HB PRO 51 -2.406 9.907 -2.092 402 2HB PRO 51 2HB PRO 51 -2.756 8.233 -1.639 403 1HG PRO 51 1HG PRO 51 -3.743 10.765 -0.392 404 2HG PRO 51 2HG PRO 51 -4.652 9.308 -0.849 405 1HD PRO 51 1HD PRO 51 -3.896 9.749 1.684 406 2HD PRO 51 2HD PRO 51 -3.914 8.115 0.992 407 H GLN 52 H GLN 52 -1.393 11.286 1.261 408 HA GLN 52 HA GLN 52 0.138 12.901 -0.604 409 1HB GLN 52 1HB GLN 52 -1.250 13.673 1.965 410 2HB GLN 52 2HB GLN 52 -0.425 14.792 0.890 411 1HG GLN 52 1HG GLN 52 -2.859 13.147 0.221 412 2HG GLN 52 2HG GLN 52 -2.829 14.878 0.559 413 1HE2 GLN 52 1HE2 GLN 52 -1.981 16.268 -0.979 414 2HE2 GLN 52 2HE2 GLN 52 -1.728 15.798 -2.620 415 H ALA 53 H ALA 53 0.646 10.898 1.979 416 HA ALA 53 HA ALA 53 2.836 12.217 3.271 417 1HB ALA 53 1HB ALA 53 1.574 10.397 4.348 418 2HB ALA 53 2HB ALA 53 3.298 10.021 4.239 419 3HB ALA 53 3HB ALA 53 2.161 9.284 3.116 420 H THR 54 H THR 54 4.864 12.314 2.810 421 HA THR 54 HA THR 54 5.739 11.994 0.200 422 HB THR 54 HB THR 54 7.402 12.283 2.710 423 HG1 THR 54 HG1 THR 54 6.984 14.418 2.538 424 1HG2 THR 54 1HG2 THR 54 8.697 11.781 0.674 425 2HG2 THR 54 2HG2 THR 54 8.970 13.442 1.207 426 3HG2 THR 54 3HG2 THR 54 7.908 13.119 -0.162 427 H TRP 55 H TRP 55 6.002 9.918 3.022 428 HA TRP 55 HA TRP 55 7.979 8.240 1.800 429 1HB TRP 55 1HB TRP 55 7.786 6.758 3.696 430 2HB TRP 55 2HB TRP 55 7.694 8.410 4.270 431 HD1 TRP 55 HD1 TRP 55 5.335 9.191 5.174 432 HE1 TRP 55 HE1 TRP 55 3.350 7.857 6.193 433 HE3 TRP 55 HE3 TRP 55 6.583 4.699 3.492 434 HZ2 TRP 55 HZ2 TRP 55 2.501 5.261 6.243 435 HZ3 TRP 55 HZ3 TRP 55 5.131 2.720 4.024 436 HH2 TRP 55 HH2 TRP 55 3.120 3.009 5.381 437 H VAL 56 H VAL 56 4.542 8.299 1.949 438 HA VAL 56 HA VAL 56 4.070 5.726 0.835 439 HB VAL 56 HB VAL 56 2.290 8.184 0.991 440 1HG1 VAL 56 1HG1 VAL 56 1.565 6.848 -0.871 441 2HG1 VAL 56 2HG1 VAL 56 0.426 6.656 0.462 442 3HG1 VAL 56 3HG1 VAL 56 1.597 5.389 0.101 443 1HG2 VAL 56 1HG2 VAL 56 1.167 6.953 2.746 444 2HG2 VAL 56 2HG2 VAL 56 2.872 7.205 3.136 445 3HG2 VAL 56 3HG2 VAL 56 2.319 5.632 2.572 446 H ARG 57 H ARG 57 3.974 8.987 -0.468 447 HA ARG 57 HA ARG 57 3.507 8.341 -3.120 448 1HB ARG 57 1HB ARG 57 5.103 10.614 -1.966 449 2HB ARG 57 2HB ARG 57 4.631 10.510 -3.657 450 1HG ARG 57 1HG ARG 57 2.310 10.467 -3.024 451 2HG ARG 57 2HG ARG 57 2.755 10.553 -1.324 452 1HD ARG 57 1HD ARG 57 3.541 12.587 -3.354 453 2HD ARG 57 2HD ARG 57 2.078 12.745 -2.360 454 HE ARG 57 HE ARG 57 4.214 12.344 -0.664 455 1HH1 ARG 57 1HH1 ARG 57 3.245 14.768 -3.049 456 2HH1 ARG 57 2HH1 ARG 57 4.028 16.054 -2.267 457 1HH2 ARG 57 1HH2 ARG 57 5.321 14.212 0.457 458 2HH2 ARG 57 2HH2 ARG 57 5.188 15.721 -0.290 459 H ASP 58 H ASP 58 6.441 8.440 -1.373 460 HA ASP 58 HA ASP 58 8.212 7.887 -3.496 461 1HB ASP 58 1HB ASP 58 9.147 8.630 -1.433 462 2HB ASP 58 2HB ASP 58 8.476 7.259 -0.560 463 H CYS 59 H CYS 59 6.454 5.573 -1.367 464 HA CYS 59 HA CYS 59 7.880 3.422 -2.748 465 1HB CYS 59 1HB CYS 59 7.407 3.596 -0.255 466 2HB CYS 59 2HB CYS 59 5.831 2.962 -0.680 467 H VAL 60 H VAL 60 4.635 4.706 -2.419 468 HA VAL 60 HA VAL 60 3.284 2.608 -3.690 469 HB VAL 60 HB VAL 60 2.280 4.635 -2.393 470 1HG1 VAL 60 1HG1 VAL 60 3.336 6.413 -3.669 471 2HG1 VAL 60 2HG1 VAL 60 1.554 6.527 -3.736 472 3HG1 VAL 60 3HG1 VAL 60 2.456 5.843 -5.099 473 1HG2 VAL 60 1HG2 VAL 60 0.870 3.007 -3.437 474 2HG2 VAL 60 2HG2 VAL 60 1.003 3.849 -4.983 475 3HG2 VAL 60 3HG2 VAL 60 0.192 4.622 -3.617 476 H ARG 61 H ARG 61 5.323 5.090 -4.687 477 HA ARG 61 HA ARG 61 4.638 4.641 -7.489 478 1HB ARG 61 1HB ARG 61 6.242 6.877 -6.294 479 2HB ARG 61 2HB ARG 61 6.189 6.591 -8.030 480 1HG ARG 61 1HG ARG 61 3.745 6.835 -7.983 481 2HG ARG 61 2HG ARG 61 3.826 7.170 -6.254 482 1HD ARG 61 1HD ARG 61 3.636 9.218 -7.620 483 2HD ARG 61 2HD ARG 61 5.109 9.167 -6.661 484 HE ARG 61 HE ARG 61 6.336 8.663 -8.604 485 1HH1 ARG 61 1HH1 ARG 61 2.973 9.483 -9.350 486 2HH1 ARG 61 2HH1 ARG 61 3.302 10.086 -10.901 487 1HH2 ARG 61 1HH2 ARG 61 6.809 9.478 -10.751 488 2HH2 ARG 61 2HH2 ARG 61 5.542 10.084 -11.719 489 H SER 62 H SER 62 7.163 4.063 -5.260 490 HA SER 62 HA SER 62 9.175 3.320 -7.059 491 1HB SER 62 1HB SER 62 9.426 3.681 -4.579 492 2HB SER 62 2HB SER 62 8.590 2.154 -4.327 493 HG SER 62 HG SER 62 11.040 2.415 -4.469 494 H MET 63 H MET 63 6.482 1.525 -5.563 495 HA MET 63 HA MET 63 7.102 -0.932 -6.882 496 1HB MET 63 1HB MET 63 4.538 -0.013 -5.563 497 2HB MET 63 2HB MET 63 4.811 -1.647 -6.152 498 1HG MET 63 1HG MET 63 6.330 -0.248 -3.959 499 2HG MET 63 2HG MET 63 5.138 -1.532 -3.759 500 1HE MET 63 1HE MET 63 6.907 -2.912 -2.278 501 2HE MET 63 2HE MET 63 8.060 -1.596 -2.496 502 3HE MET 63 3HE MET 63 8.549 -3.258 -2.821 503 H ASP 64 H ASP 64 5.116 1.823 -7.599 504 HA ASP 64 HA ASP 64 3.798 0.838 -9.902 505 1HB ASP 64 1HB ASP 64 3.093 2.923 -8.760 506 2HB ASP 64 2HB ASP 64 4.621 3.667 -9.205 507 H ARG 65 H ARG 65 6.965 2.029 -9.291 508 HA ARG 65 HA ARG 65 7.671 2.522 -12.020 509 1HB ARG 65 1HB ARG 65 8.751 3.298 -9.666 510 2HB ARG 65 2HB ARG 65 9.802 1.940 -10.041 511 1HG ARG 65 1HG ARG 65 10.924 3.713 -10.988 512 2HG ARG 65 2HG ARG 65 10.020 3.061 -12.360 513 1HD ARG 65 1HD ARG 65 9.388 5.519 -10.711 514 2HD ARG 65 2HD ARG 65 9.770 5.438 -12.425 515 HE ARG 65 HE ARG 65 7.317 4.134 -11.495 516 1HH1 ARG 65 1HH1 ARG 65 8.778 6.870 -13.219 517 2HH1 ARG 65 2HH1 ARG 65 7.305 7.429 -13.839 518 1HH2 ARG 65 1HH2 ARG 65 5.250 4.952 -12.333 519 2HH2 ARG 65 2HH2 ARG 65 5.298 6.328 -13.322 520 H LYS 66 H LYS 66 7.772 -0.197 -9.831 521 HA LYS 66 HA LYS 66 9.574 -1.855 -11.272 522 1HB LYS 66 1HB LYS 66 7.354 -2.627 -9.367 523 2HB LYS 66 2HB LYS 66 8.571 -3.732 -9.977 524 1HG LYS 66 1HG LYS 66 9.081 -1.317 -8.244 525 2HG LYS 66 2HG LYS 66 9.079 -2.997 -7.706 526 1HD LYS 66 1HD LYS 66 10.945 -3.456 -9.270 527 2HD LYS 66 2HD LYS 66 10.955 -1.748 -9.712 528 1HE LYS 66 1HE LYS 66 12.698 -2.178 -8.094 529 2HE LYS 66 2HE LYS 66 11.448 -1.173 -7.368 530 1HZ LYS 66 1HZ LYS 66 11.723 -4.111 -6.977 531 2HZ LYS 66 2HZ LYS 66 10.613 -3.132 -6.174 532 3HZ LYS 66 3HZ LYS 66 12.250 -2.953 -5.914 533 H SER 67 H SER 67 6.148 -1.306 -11.482 534 HA SER 67 HA SER 67 6.201 -2.672 -14.033 535 1HB SER 67 1HB SER 67 5.136 -4.219 -12.382 536 2HB SER 67 2HB SER 67 3.970 -2.965 -11.978 537 HG SER 67 HG SER 67 4.295 -4.305 -14.461 538 H ASN 68 H ASN 68 6.426 -0.619 -14.915 539 HA ASN 68 HA ASN 68 4.471 1.385 -14.225 540 1HB ASN 68 1HB ASN 68 6.809 2.100 -14.482 541 2HB ASN 68 2HB ASN 68 6.802 1.538 -16.150 542 1HD2 ASN 68 1HD2 ASN 68 7.284 3.554 -16.958 543 2HD2 ASN 68 2HD2 ASN 68 6.164 4.860 -16.973 544 H THR 69 H THR 69 2.617 0.690 -14.987 545 HA THR 69 HA THR 69 2.154 1.225 -17.682 546 HB THR 69 HB THR 69 2.830 -1.003 -18.092 547 HG1 THR 69 HG1 THR 69 0.406 -1.891 -18.374 548 1HG2 THR 69 1HG2 THR 69 0.868 -1.852 -15.991 549 2HG2 THR 69 2HG2 THR 69 2.627 -1.828 -15.848 550 3HG2 THR 69 3HG2 THR 69 1.850 -2.968 -16.974 551 H ARG 70 H ARG 70 0.927 2.791 -16.851 552 HA ARG 70 HA ARG 70 -1.218 2.145 -15.065 553 1HB ARG 70 1HB ARG 70 -1.830 4.541 -15.225 554 2HB ARG 70 2HB ARG 70 -0.153 4.306 -14.775 555 1HG ARG 70 1HG ARG 70 0.511 4.809 -17.105 556 2HG ARG 70 2HG ARG 70 -1.182 5.089 -17.499 557 1HD ARG 70 1HD ARG 70 -0.038 7.194 -17.080 558 2HD ARG 70 2HD ARG 70 -1.267 6.890 -15.858 559 HE ARG 70 HE ARG 70 1.287 5.946 -15.033 560 1HH1 ARG 70 1HH1 ARG 70 -0.643 8.887 -15.324 561 2HH1 ARG 70 2HH1 ARG 70 0.186 9.725 -14.098 562 1HH2 ARG 70 1HH2 ARG 70 2.442 7.078 -13.389 563 2HH2 ARG 70 2HH2 ARG 70 1.992 8.676 -12.958 564 H ASN 71 H ASN 71 -2.888 1.117 -15.738 565 HA ASN 71 HA ASN 71 -3.739 1.104 -18.471 566 1HB ASN 71 1HB ASN 71 -5.232 0.128 -16.001 567 2HB ASN 71 2HB ASN 71 -5.679 -0.221 -17.664 568 1HD2 ASN 71 1HD2 ASN 71 -3.513 -0.961 -15.055 569 2HD2 ASN 71 2HD2 ASN 71 -2.788 -2.334 -15.767 570 H ASN 72 H ASN 72 -5.440 2.092 -15.520 571 HA ASN 72 HA ASN 72 -5.937 4.694 -16.436 572 1HB ASN 72 1HB ASN 72 -8.363 4.630 -16.652 573 2HB ASN 72 2HB ASN 72 -7.670 3.511 -17.813 574 1HD2 ASN 72 1HD2 ASN 72 -10.327 3.671 -16.664 575 2HD2 ASN 72 2HD2 ASN 72 -10.660 2.162 -15.917 576 H MET 73 H MET 73 -6.791 5.954 -14.757 577 HA MET 73 HA MET 73 -6.693 4.595 -12.193 578 1HB MET 73 1HB MET 73 -5.449 6.736 -12.454 579 2HB MET 73 2HB MET 73 -6.960 7.550 -12.822 580 1HG MET 73 1HG MET 73 -7.782 7.066 -10.573 581 2HG MET 73 2HG MET 73 -6.279 6.224 -10.200 582 1HE MET 73 1HE MET 73 -6.757 9.561 -12.284 583 2HE MET 73 2HE MET 73 -6.551 10.771 -11.030 584 3HE MET 73 3HE MET 73 -7.956 9.701 -10.996 585 H ILE 74 H ILE 74 -8.529 3.728 -11.550 586 HA ILE 74 HA ILE 74 -10.963 4.237 -12.836 587 HB ILE 74 HB ILE 74 -12.016 2.709 -11.194 588 1HG1 ILE 74 1HG1 ILE 74 -9.260 2.573 -9.929 589 2HG1 ILE 74 2HG1 ILE 74 -10.665 3.336 -9.201 590 1HG2 ILE 74 1HG2 ILE 74 -9.400 1.740 -12.333 591 2HG2 ILE 74 2HG2 ILE 74 -10.943 1.804 -13.179 592 3HG2 ILE 74 3HG2 ILE 74 -10.731 0.707 -11.813 593 1HD1 ILE 74 1HD1 ILE 74 -11.784 1.164 -9.118 594 2HD1 ILE 74 2HD1 ILE 74 -10.247 1.136 -8.253 595 3HD1 ILE 74 3HD1 ILE 74 -10.369 0.417 -9.859 596 H GLN 75 H GLN 75 -12.267 5.790 -12.650 597 HA GLN 75 HA GLN 75 -12.570 7.166 -10.073 598 1HB GLN 75 1HB GLN 75 -12.758 8.365 -12.856 599 2HB GLN 75 2HB GLN 75 -13.036 9.227 -11.353 600 1HG GLN 75 1HG GLN 75 -10.410 7.992 -12.171 601 2HG GLN 75 2HG GLN 75 -10.847 9.681 -12.394 602 1HE2 GLN 75 1HE2 GLN 75 -10.042 7.220 -10.059 603 2HE2 GLN 75 2HE2 GLN 75 -9.641 8.266 -8.769 Start of MODEL 5 1 1H GLY 2 1H GLY 2 -12.009 -17.039 11.703 2 1HA GLY 2 1HA GLY 2 -12.145 -16.849 9.403 3 2HA GLY 2 2HA GLY 2 -13.319 -18.163 9.379 4 H SER 3 H SER 3 -13.018 -14.867 10.658 5 HA SER 3 HA SER 3 -15.761 -14.388 10.736 6 1HB SER 3 1HB SER 3 -13.466 -12.435 10.540 7 2HB SER 3 2HB SER 3 -15.089 -12.083 11.142 8 HG SER 3 HG SER 3 -14.723 -13.197 12.918 9 H GLU 4 H GLU 4 -13.380 -12.856 8.557 10 HA GLU 4 HA GLU 4 -15.460 -12.641 6.501 11 1HB GLU 4 1HB GLU 4 -12.781 -11.224 6.717 12 2HB GLU 4 2HB GLU 4 -13.989 -10.957 5.478 13 1HG GLU 4 1HG GLU 4 -14.377 -10.387 8.410 14 2HG GLU 4 2HG GLU 4 -13.942 -9.188 7.199 15 H VAL 5 H VAL 5 -11.959 -13.002 6.662 16 HA VAL 5 HA VAL 5 -10.447 -14.017 5.421 17 HB VAL 5 HB VAL 5 -12.334 -16.395 5.575 18 1HG1 VAL 5 1HG1 VAL 5 -10.594 -16.750 3.892 19 2HG1 VAL 5 2HG1 VAL 5 -10.321 -17.779 5.297 20 3HG1 VAL 5 3HG1 VAL 5 -9.355 -16.320 5.071 21 1HG2 VAL 5 1HG2 VAL 5 -11.010 -17.038 7.536 22 2HG2 VAL 5 2HG2 VAL 5 -11.803 -15.475 7.760 23 3HG2 VAL 5 3HG2 VAL 5 -10.082 -15.544 7.387 24 H SER 6 H SER 6 -10.786 -12.567 3.800 25 HA SER 6 HA SER 6 -10.675 -13.635 1.269 26 1HB SER 6 1HB SER 6 -12.705 -12.515 0.289 27 2HB SER 6 2HB SER 6 -13.136 -13.829 1.378 28 HG SER 6 HG SER 6 -14.321 -11.824 1.597 29 H ASP 7 H ASP 7 -10.171 -11.793 -0.228 30 HA ASP 7 HA ASP 7 -9.321 -9.571 1.430 31 1HB ASP 7 1HB ASP 7 -7.505 -10.619 0.155 32 2HB ASP 7 2HB ASP 7 -8.339 -10.241 -1.354 33 H LYS 8 H LYS 8 -10.860 -8.268 1.608 34 HA LYS 8 HA LYS 8 -12.193 -7.259 -0.793 35 1HB LYS 8 1HB LYS 8 -14.035 -6.662 0.708 36 2HB LYS 8 2HB LYS 8 -13.716 -8.390 0.694 37 1HG LYS 8 1HG LYS 8 -12.559 -8.198 2.821 38 2HG LYS 8 2HG LYS 8 -12.823 -6.456 2.817 39 1HD LYS 8 1HD LYS 8 -14.497 -7.464 4.216 40 2HD LYS 8 2HD LYS 8 -15.206 -6.864 2.703 41 1HE LYS 8 1HE LYS 8 -15.289 -9.082 1.781 42 2HE LYS 8 2HE LYS 8 -14.455 -9.744 3.185 43 1HZ LYS 8 1HZ LYS 8 -17.130 -8.474 3.190 44 2HZ LYS 8 2HZ LYS 8 -16.352 -9.117 4.546 45 3HZ LYS 8 3HZ LYS 8 -16.831 -10.128 3.293 46 H ARG 9 H ARG 9 -13.013 -4.893 -0.219 47 HA ARG 9 HA ARG 9 -10.633 -3.509 0.429 48 1HB ARG 9 1HB ARG 9 -11.946 -1.395 0.104 49 2HB ARG 9 2HB ARG 9 -11.974 -2.469 -1.277 50 1HG ARG 9 1HG ARG 9 -14.223 -3.186 -0.667 51 2HG ARG 9 2HG ARG 9 -14.185 -2.126 0.746 52 1HD ARG 9 1HD ARG 9 -15.401 -1.083 -1.090 53 2HD ARG 9 2HD ARG 9 -13.917 -0.194 -0.734 54 HE ARG 9 HE ARG 9 -13.774 -2.185 -2.823 55 1HH1 ARG 9 1HH1 ARG 9 -14.225 1.239 -2.033 56 2HH1 ARG 9 2HH1 ARG 9 -13.790 1.825 -3.564 57 1HH2 ARG 9 1HH2 ARG 9 -13.172 -1.364 -5.003 58 2HH2 ARG 9 2HH2 ARG 9 -13.170 0.314 -5.288 59 H THR 10 H THR 10 -9.932 -3.486 2.348 60 HA THR 10 HA THR 10 -11.717 -2.741 4.542 61 HB THR 10 HB THR 10 -9.594 -4.901 4.665 62 HG1 THR 10 HG1 THR 10 -12.382 -5.297 4.987 63 1HG2 THR 10 1HG2 THR 10 -9.905 -3.694 6.777 64 2HG2 THR 10 2HG2 THR 10 -10.521 -5.345 6.911 65 3HG2 THR 10 3HG2 THR 10 -11.640 -3.996 6.709 66 H CYS 11 H CYS 11 -10.841 -1.192 5.769 67 HA CYS 11 HA CYS 11 -7.982 -0.714 5.528 68 1HB CYS 11 1HB CYS 11 -9.246 0.880 4.101 69 2HB CYS 11 2HB CYS 11 -10.133 1.388 5.539 70 H VAL 12 H VAL 12 -7.033 -0.022 7.370 71 HA VAL 12 HA VAL 12 -8.510 -0.424 9.844 72 HB VAL 12 HB VAL 12 -5.595 0.339 9.461 73 1HG1 VAL 12 1HG1 VAL 12 -5.282 -0.551 11.712 74 2HG1 VAL 12 2HG1 VAL 12 -7.017 -0.847 11.829 75 3HG1 VAL 12 3HG1 VAL 12 -6.413 0.804 11.682 76 1HG2 VAL 12 1HG2 VAL 12 -6.047 -1.784 8.337 77 2HG2 VAL 12 2HG2 VAL 12 -6.765 -2.415 9.821 78 3HG2 VAL 12 3HG2 VAL 12 -5.051 -2.024 9.771 79 H SER 13 H SER 13 -6.163 1.984 8.756 80 HA SER 13 HA SER 13 -7.741 4.233 8.851 81 1HB SER 13 1HB SER 13 -6.674 5.300 10.806 82 2HB SER 13 2HB SER 13 -7.805 4.017 11.274 83 HG SER 13 HG SER 13 -6.176 3.162 12.303 84 H LEU 14 H LEU 14 -6.230 6.178 8.654 85 HA LEU 14 HA LEU 14 -4.121 5.289 6.979 86 1HB LEU 14 1HB LEU 14 -5.047 8.081 7.579 87 2HB LEU 14 2HB LEU 14 -3.745 7.699 6.477 88 HG LEU 14 HG LEU 14 -5.431 6.284 5.216 89 1HD1 LEU 14 1HD1 LEU 14 -7.418 7.844 6.799 90 2HD1 LEU 14 2HD1 LEU 14 -7.130 6.102 6.827 91 3HD1 LEU 14 3HD1 LEU 14 -7.762 6.866 5.364 92 1HD2 LEU 14 1HD2 LEU 14 -5.802 9.262 5.274 93 2HD2 LEU 14 2HD2 LEU 14 -6.290 8.196 3.950 94 3HD2 LEU 14 3HD2 LEU 14 -4.584 8.385 4.351 95 H THR 15 H THR 15 -2.456 4.576 7.779 96 HA THR 15 HA THR 15 -1.289 5.386 10.194 97 HB THR 15 HB THR 15 -0.525 3.510 7.971 98 HG1 THR 15 HG1 THR 15 -2.449 3.399 9.665 99 1HG2 THR 15 1HG2 THR 15 1.354 4.197 9.290 100 2HG2 THR 15 2HG2 THR 15 0.954 2.498 9.588 101 3HG2 THR 15 3HG2 THR 15 0.510 3.752 10.779 102 H THR 16 H THR 16 0.151 7.035 10.333 103 HA THR 16 HA THR 16 1.385 7.917 7.871 104 HB THR 16 HB THR 16 1.904 10.012 9.165 105 HG1 THR 16 HG1 THR 16 0.267 10.092 11.031 106 1HG2 THR 16 1HG2 THR 16 -0.027 9.875 7.651 107 2HG2 THR 16 2HG2 THR 16 -0.406 10.862 9.065 108 3HG2 THR 16 3HG2 THR 16 -1.003 9.207 8.957 109 H GLN 17 H GLN 17 2.138 6.014 10.518 110 HA GLN 17 HA GLN 17 4.858 6.860 10.838 111 1HB GLN 17 1HB GLN 17 5.277 4.795 12.067 112 2HB GLN 17 2HB GLN 17 3.740 5.453 12.595 113 1HG GLN 17 1HG GLN 17 2.548 3.816 11.290 114 2HG GLN 17 2HG GLN 17 4.058 3.215 10.606 115 1HE2 GLN 17 1HE2 GLN 17 2.004 3.288 13.388 116 2HE2 GLN 17 2HE2 GLN 17 2.830 2.057 14.276 117 H ARG 18 H ARG 18 6.704 5.920 9.923 118 HA ARG 18 HA ARG 18 6.066 5.235 7.206 119 1HB ARG 18 1HB ARG 18 8.739 5.880 8.388 120 2HB ARG 18 2HB ARG 18 8.316 5.739 6.682 121 1HG ARG 18 1HG ARG 18 6.687 7.573 7.000 122 2HG ARG 18 2HG ARG 18 7.341 7.792 8.623 123 1HD ARG 18 1HD ARG 18 8.820 7.879 6.072 124 2HD ARG 18 2HD ARG 18 8.294 9.312 6.968 125 HE ARG 18 HE ARG 18 9.877 7.573 8.591 126 1HH1 ARG 18 1HH1 ARG 18 10.236 10.107 6.111 127 2HH1 ARG 18 2HH1 ARG 18 11.799 10.540 6.573 128 1HH2 ARG 18 1HH2 ARG 18 12.079 8.164 9.217 129 2HH2 ARG 18 2HH2 ARG 18 12.875 9.408 8.382 130 H LEU 19 H LEU 19 6.136 3.261 6.459 131 HA LEU 19 HA LEU 19 7.825 1.247 7.726 132 1HB LEU 19 1HB LEU 19 5.605 0.951 5.667 133 2HB LEU 19 2HB LEU 19 6.612 -0.360 6.205 134 HG LEU 19 HG LEU 19 5.626 -0.070 8.504 135 1HD1 LEU 19 1HD1 LEU 19 3.525 1.142 8.733 136 2HD1 LEU 19 2HD1 LEU 19 3.692 1.741 7.083 137 3HD1 LEU 19 3HD1 LEU 19 4.852 2.232 8.319 138 1HD2 LEU 19 1HD2 LEU 19 3.731 -0.686 6.246 139 2HD2 LEU 19 2HD2 LEU 19 3.518 -1.185 7.924 140 3HD2 LEU 19 3HD2 LEU 19 4.877 -1.801 6.976 141 HA PRO 20 HA PRO 20 10.650 1.831 4.275 142 1HB PRO 20 1HB PRO 20 11.835 -0.628 4.353 143 2HB PRO 20 2HB PRO 20 12.267 0.670 5.471 144 1HG PRO 20 1HG PRO 20 10.483 -1.684 5.893 145 2HG PRO 20 2HG PRO 20 11.655 -0.956 7.006 146 1HD PRO 20 1HD PRO 20 9.000 -0.527 7.216 147 2HD PRO 20 2HD PRO 20 10.188 0.719 7.640 148 H CYS 21 H CYS 21 10.648 1.470 2.193 149 HA CYS 21 HA CYS 21 8.383 0.351 1.030 150 1HB CYS 21 1HB CYS 21 11.035 0.948 -0.285 151 2HB CYS 21 2HB CYS 21 9.490 0.713 -1.082 152 H SER 22 H SER 22 11.379 -1.076 1.946 153 HA SER 22 HA SER 22 11.472 -3.338 0.307 154 1HB SER 22 1HB SER 22 12.407 -3.038 3.157 155 2HB SER 22 2HB SER 22 13.005 -4.197 1.966 156 HG SER 22 HG SER 22 14.077 -2.693 0.972 157 H ARG 23 H ARG 23 9.355 -2.542 2.954 158 HA ARG 23 HA ARG 23 8.615 -5.358 3.235 159 1HB ARG 23 1HB ARG 23 8.073 -3.041 5.093 160 2HB ARG 23 2HB ARG 23 7.483 -4.678 5.349 161 1HG ARG 23 1HG ARG 23 9.815 -5.473 5.419 162 2HG ARG 23 2HG ARG 23 10.365 -3.805 5.254 163 1HD ARG 23 1HD ARG 23 9.184 -3.254 7.346 164 2HD ARG 23 2HD ARG 23 8.705 -4.939 7.506 165 HE ARG 23 HE ARG 23 11.536 -4.508 7.237 166 1HH1 ARG 23 1HH1 ARG 23 8.842 -4.987 9.514 167 2HH1 ARG 23 2HH1 ARG 23 9.836 -5.293 10.851 168 1HH2 ARG 23 1HH2 ARG 23 12.901 -4.921 9.115 169 2HH2 ARG 23 2HH2 ARG 23 12.192 -5.245 10.634 170 H ILE 24 H ILE 24 7.765 -2.886 1.431 171 HA ILE 24 HA ILE 24 4.891 -3.069 1.608 172 HB ILE 24 HB ILE 24 6.642 -1.833 -0.574 173 1HG1 ILE 24 1HG1 ILE 24 6.741 -0.733 1.721 174 2HG1 ILE 24 2HG1 ILE 24 6.229 0.302 0.394 175 1HG2 ILE 24 1HG2 ILE 24 3.697 -1.656 -0.118 176 2HG2 ILE 24 2HG2 ILE 24 4.492 -2.576 -1.368 177 3HG2 ILE 24 3HG2 ILE 24 4.596 -0.794 -1.381 178 1HD1 ILE 24 1HD1 ILE 24 4.421 -0.984 2.446 179 2HD1 ILE 24 2HD1 ILE 24 3.946 0.090 1.107 180 3HD1 ILE 24 3HD1 ILE 24 4.939 0.712 2.399 181 H LYS 25 H LYS 25 3.712 -4.605 0.603 182 HA LYS 25 HA LYS 25 5.072 -6.390 -1.256 183 1HB LYS 25 1HB LYS 25 3.831 -7.186 0.765 184 2HB LYS 25 2HB LYS 25 2.360 -6.605 0.041 185 1HG LYS 25 1HG LYS 25 4.078 -8.761 -1.216 186 2HG LYS 25 2HG LYS 25 2.721 -9.109 -0.160 187 1HD LYS 25 1HD LYS 25 1.225 -7.969 -1.769 188 2HD LYS 25 2HD LYS 25 2.615 -7.687 -2.826 189 1HE LYS 25 1HE LYS 25 2.961 -10.106 -2.990 190 2HE LYS 25 2HE LYS 25 1.576 -10.368 -1.933 191 1HZ LYS 25 1HZ LYS 25 1.001 -10.672 -4.232 192 2HZ LYS 25 2HZ LYS 25 1.504 -9.130 -4.629 193 3HZ LYS 25 3HZ LYS 25 0.162 -9.345 -3.624 194 H THR 26 H THR 26 2.137 -4.377 -0.961 195 HA THR 26 HA THR 26 2.242 -3.641 -3.678 196 HB THR 26 HB THR 26 1.221 -5.934 -3.886 197 HG1 THR 26 HG1 THR 26 0.639 -4.403 -5.398 198 1HG2 THR 26 1HG2 THR 26 -1.028 -4.741 -2.253 199 2HG2 THR 26 2HG2 THR 26 0.055 -6.032 -1.732 200 3HG2 THR 26 3HG2 THR 26 -1.077 -6.311 -3.056 201 H TYR 27 H TYR 27 0.318 -2.188 -4.116 202 HA TYR 27 HA TYR 27 -0.850 -1.143 -1.638 203 1HB TYR 27 1HB TYR 27 -0.448 1.164 -2.290 204 2HB TYR 27 2HB TYR 27 1.094 0.375 -2.281 205 HD1 TYR 27 HD1 TYR 27 -1.585 1.682 -4.378 206 HD2 TYR 27 HD2 TYR 27 2.367 0.181 -4.288 207 HE1 TYR 27 HE1 TYR 27 -1.301 2.482 -6.603 208 HE2 TYR 27 HE2 TYR 27 2.711 1.004 -6.618 209 HH TYR 27 HH TYR 27 1.276 1.488 -8.565 210 H THR 28 H THR 28 -2.708 0.143 -2.054 211 HA THR 28 HA THR 28 -3.942 -0.080 -4.684 212 HB THR 28 HB THR 28 -5.405 -0.620 -2.105 213 HG1 THR 28 HG1 THR 28 -3.929 -2.329 -2.647 214 1HG2 THR 28 1HG2 THR 28 -7.203 -1.440 -3.602 215 2HG2 THR 28 2HG2 THR 28 -6.213 -1.009 -4.996 216 3HG2 THR 28 3HG2 THR 28 -6.803 0.251 -3.913 217 H ILE 29 H ILE 29 -4.349 1.997 -5.174 218 HA ILE 29 HA ILE 29 -4.713 3.916 -3.005 219 HB ILE 29 HB ILE 29 -4.445 4.427 -5.998 220 1HG1 ILE 29 1HG1 ILE 29 -2.495 4.900 -3.729 221 2HG1 ILE 29 2HG1 ILE 29 -2.374 3.619 -4.924 222 1HG2 ILE 29 1HG2 ILE 29 -5.805 6.161 -4.935 223 2HG2 ILE 29 2HG2 ILE 29 -4.234 6.807 -5.407 224 3HG2 ILE 29 3HG2 ILE 29 -4.554 6.413 -3.719 225 1HD1 ILE 29 1HD1 ILE 29 -0.863 5.446 -5.428 226 2HD1 ILE 29 2HD1 ILE 29 -2.215 6.576 -5.469 227 3HD1 ILE 29 3HD1 ILE 29 -2.098 5.299 -6.682 228 H THR 30 H THR 30 -6.608 4.831 -2.516 229 HA THR 30 HA THR 30 -8.877 3.950 -4.113 230 HB THR 30 HB THR 30 -10.166 4.241 -1.961 231 HG1 THR 30 HG1 THR 30 -7.558 4.133 -0.811 232 1HG2 THR 30 1HG2 THR 30 -9.447 2.052 -1.053 233 2HG2 THR 30 2HG2 THR 30 -7.978 2.149 -2.028 234 3HG2 THR 30 3HG2 THR 30 -9.550 2.023 -2.814 235 H GLU 31 H GLU 31 -10.432 5.394 -4.659 236 HA GLU 31 HA GLU 31 -10.291 8.063 -3.599 237 1HB GLU 31 1HB GLU 31 -10.539 9.077 -5.856 238 2HB GLU 31 2HB GLU 31 -8.986 8.295 -5.629 239 1HG GLU 31 1HG GLU 31 -9.707 6.401 -6.951 240 2HG GLU 31 2HG GLU 31 -11.324 7.088 -7.090 241 H GLY 32 H GLY 32 -12.218 9.106 -3.532 242 1HA GLY 32 1HA GLY 32 -14.553 8.855 -4.687 243 2HA GLY 32 2HA GLY 32 -14.540 7.402 -3.683 244 H SER 33 H SER 33 -14.858 7.567 -1.581 245 HA SER 33 HA SER 33 -15.289 10.240 -0.505 246 1HB SER 33 1HB SER 33 -17.148 8.582 -0.277 247 2HB SER 33 2HB SER 33 -16.076 7.552 0.672 248 HG SER 33 HG SER 33 -16.789 10.207 1.319 249 H LEU 34 H LEU 34 -13.427 7.295 -0.108 250 HA LEU 34 HA LEU 34 -11.792 8.647 1.909 251 1HB LEU 34 1HB LEU 34 -12.898 6.623 2.761 252 2HB LEU 34 2HB LEU 34 -12.228 5.696 1.431 253 HG LEU 34 HG LEU 34 -10.000 6.152 2.310 254 1HD1 LEU 34 1HD1 LEU 34 -11.484 7.311 4.669 255 2HD1 LEU 34 2HD1 LEU 34 -10.390 8.171 3.586 256 3HD1 LEU 34 3HD1 LEU 34 -9.769 6.917 4.657 257 1HD2 LEU 34 1HD2 LEU 34 -11.905 4.753 4.174 258 2HD2 LEU 34 2HD2 LEU 34 -10.153 4.576 4.206 259 3HD2 LEU 34 3HD2 LEU 34 -11.066 4.049 2.790 260 H ARG 35 H ARG 35 -9.795 9.131 1.235 261 HA ARG 35 HA ARG 35 -8.722 7.628 -1.043 262 1HB ARG 35 1HB ARG 35 -8.083 10.456 -0.180 263 2HB ARG 35 2HB ARG 35 -7.262 9.593 -1.468 264 1HG ARG 35 1HG ARG 35 -9.338 9.456 -2.704 265 2HG ARG 35 2HG ARG 35 -10.179 10.347 -1.428 266 1HD ARG 35 1HD ARG 35 -8.618 12.235 -1.811 267 2HD ARG 35 2HD ARG 35 -7.887 11.318 -3.128 268 HE ARG 35 HE ARG 35 -10.740 11.738 -3.328 269 1HH1 ARG 35 1HH1 ARG 35 -7.533 12.886 -4.285 270 2HH1 ARG 35 2HH1 ARG 35 -8.100 13.837 -5.567 271 1HH2 ARG 35 1HH2 ARG 35 -11.516 13.040 -5.062 272 2HH2 ARG 35 2HH2 ARG 35 -10.413 13.924 -6.027 273 H ALA 36 H ALA 36 -7.469 6.152 -0.243 274 HA ALA 36 HA ALA 36 -5.261 6.967 1.467 275 1HB ALA 36 1HB ALA 36 -5.568 5.037 2.940 276 2HB ALA 36 2HB ALA 36 -7.057 4.622 2.091 277 3HB ALA 36 3HB ALA 36 -6.959 6.121 3.015 278 H VAL 37 H VAL 37 -3.391 5.637 1.177 279 HA VAL 37 HA VAL 37 -3.592 3.831 -1.089 280 HB VAL 37 HB VAL 37 -1.124 4.591 0.488 281 1HG1 VAL 37 1HG1 VAL 37 -1.472 3.468 -2.270 282 2HG1 VAL 37 2HG1 VAL 37 -0.906 2.614 -0.828 283 3HG1 VAL 37 3HG1 VAL 37 0.062 3.917 -1.520 284 1HG2 VAL 37 1HG2 VAL 37 -2.086 6.638 -0.382 285 2HG2 VAL 37 2HG2 VAL 37 -2.130 5.963 -2.016 286 3HG2 VAL 37 3HG2 VAL 37 -0.583 6.249 -1.198 287 H ILE 38 H ILE 38 -4.077 1.812 -0.497 288 HA ILE 38 HA ILE 38 -3.494 0.992 2.226 289 HB ILE 38 HB ILE 38 -5.154 -0.423 0.099 290 1HG1 ILE 38 1HG1 ILE 38 -6.004 1.201 2.512 291 2HG1 ILE 38 2HG1 ILE 38 -6.122 1.724 0.838 292 1HG2 ILE 38 1HG2 ILE 38 -4.858 -1.012 3.057 293 2HG2 ILE 38 2HG2 ILE 38 -4.250 -2.017 1.739 294 3HG2 ILE 38 3HG2 ILE 38 -5.984 -1.809 1.968 295 1HD1 ILE 38 1HD1 ILE 38 -7.728 -0.070 0.403 296 2HD1 ILE 38 2HD1 ILE 38 -8.266 0.998 1.704 297 3HD1 ILE 38 3HD1 ILE 38 -7.589 -0.588 2.087 298 H PHE 39 H PHE 39 -1.671 0.091 2.593 299 HA PHE 39 HA PHE 39 -0.256 -1.331 0.470 300 1HB PHE 39 1HB PHE 39 0.718 -0.118 3.040 301 2HB PHE 39 2HB PHE 39 1.684 -1.193 2.044 302 HD1 PHE 39 HD1 PHE 39 2.053 -0.508 -0.351 303 HD2 PHE 39 HD2 PHE 39 0.712 2.137 2.660 304 HE1 PHE 39 HE1 PHE 39 2.862 1.379 -1.682 305 HE2 PHE 39 HE2 PHE 39 1.495 4.038 1.349 306 HZ PHE 39 HZ PHE 39 2.585 3.620 -0.888 307 H ILE 40 H ILE 40 0.010 -3.384 0.609 308 HA ILE 40 HA ILE 40 -0.690 -4.646 3.143 309 HB ILE 40 HB ILE 40 0.026 -6.095 0.575 310 1HG1 ILE 40 1HG1 ILE 40 -1.873 -4.643 0.054 311 2HG1 ILE 40 2HG1 ILE 40 -2.399 -6.316 0.135 312 1HG2 ILE 40 1HG2 ILE 40 -1.533 -6.837 3.048 313 2HG2 ILE 40 2HG2 ILE 40 0.081 -7.412 2.649 314 3HG2 ILE 40 3HG2 ILE 40 -1.304 -7.912 1.668 315 1HD1 ILE 40 1HD1 ILE 40 -4.010 -4.821 1.178 316 2HD1 ILE 40 2HD1 ILE 40 -2.765 -4.243 2.283 317 3HD1 ILE 40 3HD1 ILE 40 -3.308 -5.920 2.364 318 H THR 41 H THR 41 0.915 -5.261 4.384 319 HA THR 41 HA THR 41 3.595 -4.862 3.386 320 HB THR 41 HB THR 41 3.068 -4.006 5.646 321 HG1 THR 41 HG1 THR 41 5.203 -4.883 5.134 322 1HG2 THR 41 1HG2 THR 41 1.386 -5.627 6.317 323 2HG2 THR 41 2HG2 THR 41 2.682 -5.585 7.520 324 3HG2 THR 41 3HG2 THR 41 2.603 -6.898 6.342 325 H LYS 42 H LYS 42 5.254 -6.587 3.738 326 HA LYS 42 HA LYS 42 4.338 -8.949 2.518 327 1HB LYS 42 1HB LYS 42 7.060 -8.325 3.671 328 2HB LYS 42 2HB LYS 42 6.683 -9.725 2.673 329 1HG LYS 42 1HG LYS 42 6.032 -8.250 0.838 330 2HG LYS 42 2HG LYS 42 6.399 -6.848 1.835 331 1HD LYS 42 1HD LYS 42 8.217 -7.271 0.308 332 2HD LYS 42 2HD LYS 42 8.731 -7.591 1.968 333 1HE LYS 42 1HE LYS 42 8.474 -9.979 1.617 334 2HE LYS 42 2HE LYS 42 7.844 -9.701 -0.003 335 1HZ LYS 42 1HZ LYS 42 10.587 -9.072 0.953 336 2HZ LYS 42 2HZ LYS 42 10.015 -8.720 -0.582 337 3HZ LYS 42 3HZ LYS 42 10.167 -10.323 -0.091 338 H ARG 43 H ARG 43 4.344 -8.042 5.690 339 HA ARG 43 HA ARG 43 4.522 -10.624 6.940 340 1HB ARG 43 1HB ARG 43 4.890 -8.508 8.188 341 2HB ARG 43 2HB ARG 43 3.221 -8.057 7.910 342 1HG ARG 43 1HG ARG 43 2.488 -9.989 9.242 343 2HG ARG 43 2HG ARG 43 4.182 -10.390 9.535 344 1HD ARG 43 1HD ARG 43 4.511 -8.252 10.644 345 2HD ARG 43 2HD ARG 43 2.831 -7.821 10.329 346 HE ARG 43 HE ARG 43 2.584 -10.122 11.639 347 1HH1 ARG 43 1HH1 ARG 43 4.397 -7.166 12.371 348 2HH1 ARG 43 2HH1 ARG 43 4.335 -7.378 14.060 349 1HH2 ARG 43 1HH2 ARG 43 2.497 -10.371 14.003 350 2HH2 ARG 43 2HH2 ARG 43 3.262 -9.209 14.987 351 H GLY 44 H GLY 44 2.233 -9.163 4.939 352 1HA GLY 44 1HA GLY 44 0.342 -10.216 4.071 353 2HA GLY 44 2HA GLY 44 0.312 -11.298 5.447 354 H LEU 45 H LEU 45 0.727 -8.160 6.428 355 HA LEU 45 HA LEU 45 -2.171 -7.883 7.072 356 1HB LEU 45 1HB LEU 45 0.214 -6.571 8.342 357 2HB LEU 45 2HB LEU 45 -1.462 -6.367 8.814 358 HG LEU 45 HG LEU 45 0.145 -8.907 9.062 359 1HD1 LEU 45 1HD1 LEU 45 -0.083 -8.525 11.451 360 2HD1 LEU 45 2HD1 LEU 45 -0.947 -7.021 11.104 361 3HD1 LEU 45 3HD1 LEU 45 0.757 -7.184 10.654 362 1HD2 LEU 45 1HD2 LEU 45 -1.805 -9.776 10.262 363 2HD2 LEU 45 2HD2 LEU 45 -2.187 -9.395 8.583 364 3HD2 LEU 45 3HD2 LEU 45 -2.701 -8.307 9.873 365 H LYS 46 H LYS 46 -3.113 -6.016 7.154 366 HA LYS 46 HA LYS 46 -2.601 -4.726 4.629 367 1HB LYS 46 1HB LYS 46 -4.353 -6.380 5.118 368 2HB LYS 46 2HB LYS 46 -4.993 -5.254 6.276 369 1HG LYS 46 1HG LYS 46 -5.793 -3.866 4.673 370 2HG LYS 46 2HG LYS 46 -4.688 -4.499 3.428 371 1HD LYS 46 1HD LYS 46 -5.657 -6.672 3.693 372 2HD LYS 46 2HD LYS 46 -6.824 -6.043 4.814 373 1HE LYS 46 1HE LYS 46 -7.742 -4.534 3.164 374 2HE LYS 46 2HE LYS 46 -6.507 -5.024 1.999 375 1HZ LYS 46 1HZ LYS 46 -8.721 -6.061 1.632 376 2HZ LYS 46 2HZ LYS 46 -8.555 -6.918 3.076 377 3HZ LYS 46 3HZ LYS 46 -7.471 -7.155 1.800 378 H VAL 47 H VAL 47 -2.009 -2.689 4.843 379 HA VAL 47 HA VAL 47 -2.710 -1.158 7.246 380 HB VAL 47 HB VAL 47 -0.127 -1.021 5.641 381 1HG1 VAL 47 1HG1 VAL 47 0.714 0.445 7.418 382 2HG1 VAL 47 2HG1 VAL 47 -0.871 0.409 8.185 383 3HG1 VAL 47 3HG1 VAL 47 -0.684 1.138 6.593 384 1HG2 VAL 47 1HG2 VAL 47 0.973 -1.971 7.627 385 2HG2 VAL 47 2HG2 VAL 47 -0.215 -3.081 6.944 386 3HG2 VAL 47 3HG2 VAL 47 -0.601 -2.159 8.397 387 H CYS 48 H CYS 48 -3.077 1.125 6.858 388 HA CYS 48 HA CYS 48 -3.455 1.819 4.016 389 1HB CYS 48 1HB CYS 48 -4.953 2.889 6.415 390 2HB CYS 48 2HB CYS 48 -5.240 3.304 4.735 391 H ALA 49 H ALA 49 -2.432 3.674 3.446 392 HA ALA 49 HA ALA 49 -1.105 5.160 5.583 393 1HB ALA 49 1HB ALA 49 0.867 5.308 4.136 394 2HB ALA 49 2HB ALA 49 0.028 4.307 2.939 395 3HB ALA 49 3HB ALA 49 0.447 3.631 4.505 396 H ASP 50 H ASP 50 -0.642 7.341 5.063 397 HA ASP 50 HA ASP 50 -2.744 8.609 3.584 398 1HB ASP 50 1HB ASP 50 -1.950 9.651 5.629 399 2HB ASP 50 2HB ASP 50 -0.323 9.766 4.969 400 HA PRO 51 HA PRO 51 -0.717 8.362 -0.374 401 1HB PRO 51 1HB PRO 51 -2.599 10.536 -1.035 402 2HB PRO 51 2HB PRO 51 -2.360 8.972 -1.821 403 1HG PRO 51 1HG PRO 51 -4.500 9.497 -0.285 404 2HG PRO 51 2HG PRO 51 -3.775 7.890 -0.364 405 1HD PRO 51 1HD PRO 51 -3.643 9.918 1.800 406 2HD PRO 51 2HD PRO 51 -3.587 8.149 1.879 407 H GLN 52 H GLN 52 -1.044 11.516 1.340 408 HA GLN 52 HA GLN 52 0.730 12.617 -0.679 409 1HB GLN 52 1HB GLN 52 0.312 14.842 0.302 410 2HB GLN 52 2HB GLN 52 -1.160 14.054 -0.216 411 1HG GLN 52 1HG GLN 52 -1.592 13.440 2.147 412 2HG GLN 52 2HG GLN 52 -0.146 14.331 2.591 413 1HE2 GLN 52 1HE2 GLN 52 -1.316 15.748 3.845 414 2HE2 GLN 52 2HE2 GLN 52 -2.300 16.990 3.179 415 H ALA 53 H ALA 53 1.079 11.043 2.144 416 HA ALA 53 HA ALA 53 3.308 12.409 3.251 417 1HB ALA 53 1HB ALA 53 2.651 9.459 3.283 418 2HB ALA 53 2HB ALA 53 2.100 10.638 4.471 419 3HB ALA 53 3HB ALA 53 3.821 10.266 4.331 420 H THR 54 H THR 54 5.369 12.500 2.645 421 HA THR 54 HA THR 54 6.038 11.996 0.002 422 HB THR 54 HB THR 54 7.893 12.446 2.351 423 HG1 THR 54 HG1 THR 54 6.380 14.156 0.678 424 1HG2 THR 54 1HG2 THR 54 9.026 11.653 0.306 425 2HG2 THR 54 2HG2 THR 54 9.436 13.316 0.688 426 3HG2 THR 54 3HG2 THR 54 8.288 12.972 -0.609 427 H TRP 55 H TRP 55 6.474 10.088 2.883 428 HA TRP 55 HA TRP 55 8.341 8.310 1.622 429 1HB TRP 55 1HB TRP 55 8.207 6.880 3.570 430 2HB TRP 55 2HB TRP 55 8.195 8.547 4.110 431 HD1 TRP 55 HD1 TRP 55 5.915 9.421 5.109 432 HE1 TRP 55 HE1 TRP 55 3.945 8.169 6.243 433 HE3 TRP 55 HE3 TRP 55 6.927 4.829 3.429 434 HZ2 TRP 55 HZ2 TRP 55 3.013 5.627 6.359 435 HZ3 TRP 55 HZ3 TRP 55 5.430 2.938 4.059 436 HH2 TRP 55 HH2 TRP 55 3.496 3.326 5.503 437 H VAL 56 H VAL 56 4.892 8.401 2.039 438 HA VAL 56 HA VAL 56 4.350 5.850 0.956 439 HB VAL 56 HB VAL 56 2.583 8.319 1.167 440 1HG1 VAL 56 1HG1 VAL 56 0.695 6.788 0.720 441 2HG1 VAL 56 2HG1 VAL 56 1.867 5.533 0.260 442 3HG1 VAL 56 3HG1 VAL 56 1.759 7.022 -0.659 443 1HG2 VAL 56 1HG2 VAL 56 3.235 7.326 3.291 444 2HG2 VAL 56 2HG2 VAL 56 2.641 5.758 2.740 445 3HG2 VAL 56 3HG2 VAL 56 1.519 7.097 2.968 446 H ARG 57 H ARG 57 4.507 9.085 -0.360 447 HA ARG 57 HA ARG 57 3.928 8.601 -3.021 448 1HB ARG 57 1HB ARG 57 6.037 10.394 -1.835 449 2HB ARG 57 2HB ARG 57 5.620 10.396 -3.532 450 1HG ARG 57 1HG ARG 57 3.674 11.032 -1.321 451 2HG ARG 57 2HG ARG 57 4.632 12.235 -2.179 452 1HD ARG 57 1HD ARG 57 2.543 12.249 -3.259 453 2HD ARG 57 2HD ARG 57 3.629 11.319 -4.288 454 HE ARG 57 HE ARG 57 1.949 9.862 -2.434 455 1HH1 ARG 57 1HH1 ARG 57 2.606 10.766 -5.787 456 2HH1 ARG 57 2HH1 ARG 57 1.344 9.862 -6.460 457 1HH2 ARG 57 1HH2 ARG 57 0.176 8.577 -3.368 458 2HH2 ARG 57 2HH2 ARG 57 -0.075 8.611 -5.063 459 H ASP 58 H ASP 58 7.058 8.356 -1.389 460 HA ASP 58 HA ASP 58 8.430 7.400 -3.644 461 1HB ASP 58 1HB ASP 58 9.667 8.419 -1.831 462 2HB ASP 58 2HB ASP 58 9.219 7.101 -0.749 463 H CYS 59 H CYS 59 6.985 5.535 -0.937 464 HA CYS 59 HA CYS 59 7.949 3.097 -2.053 465 1HB CYS 59 1HB CYS 59 5.680 3.471 -0.137 466 2HB CYS 59 2HB CYS 59 6.392 1.979 -0.695 467 H VAL 60 H VAL 60 4.894 4.840 -2.325 468 HA VAL 60 HA VAL 60 3.566 2.770 -3.685 469 HB VAL 60 HB VAL 60 2.573 4.918 -2.526 470 1HG1 VAL 60 1HG1 VAL 60 3.744 6.596 -3.805 471 2HG1 VAL 60 2HG1 VAL 60 1.983 6.728 -4.035 472 3HG1 VAL 60 3HG1 VAL 60 2.989 5.960 -5.276 473 1HG2 VAL 60 1HG2 VAL 60 1.417 3.992 -5.141 474 2HG2 VAL 60 2HG2 VAL 60 0.557 4.861 -3.857 475 3HG2 VAL 60 3HG2 VAL 60 1.180 3.248 -3.561 476 H ARG 61 H ARG 61 5.850 5.140 -4.560 477 HA ARG 61 HA ARG 61 5.275 4.796 -7.398 478 1HB ARG 61 1HB ARG 61 7.035 6.387 -7.977 479 2HB ARG 61 2HB ARG 61 5.876 7.051 -6.828 480 1HG ARG 61 1HG ARG 61 7.956 7.877 -6.274 481 2HG ARG 61 2HG ARG 61 7.566 6.631 -5.086 482 1HD ARG 61 1HD ARG 61 9.952 6.533 -5.774 483 2HD ARG 61 2HD ARG 61 9.070 5.068 -6.199 484 HE ARG 61 HE ARG 61 9.058 6.945 -8.316 485 1HH1 ARG 61 1HH1 ARG 61 11.180 4.590 -6.735 486 2HH1 ARG 61 2HH1 ARG 61 12.081 4.258 -8.140 487 1HH2 ARG 61 1HH2 ARG 61 10.297 6.494 -10.213 488 2HH2 ARG 61 2HH2 ARG 61 11.573 5.373 -10.178 489 H SER 62 H SER 62 7.537 3.711 -5.127 490 HA SER 62 HA SER 62 9.398 2.509 -6.825 491 1HB SER 62 1HB SER 62 9.744 2.772 -4.404 492 2HB SER 62 2HB SER 62 8.434 1.648 -4.084 493 HG SER 62 HG SER 62 10.764 1.032 -5.564 494 H MET 63 H MET 63 6.399 1.372 -5.387 495 HA MET 63 HA MET 63 6.605 -1.185 -6.630 496 1HB MET 63 1HB MET 63 4.239 0.110 -5.301 497 2HB MET 63 2HB MET 63 4.276 -1.563 -5.846 498 1HG MET 63 1HG MET 63 5.973 -0.304 -3.711 499 2HG MET 63 2HG MET 63 4.687 -1.488 -3.493 500 1HE MET 63 1HE MET 63 5.276 -3.493 -5.957 501 2HE MET 63 2HE MET 63 4.868 -4.040 -4.334 502 3HE MET 63 3HE MET 63 6.287 -4.694 -5.155 503 H ASP 64 H ASP 64 5.114 1.822 -7.448 504 HA ASP 64 HA ASP 64 3.599 1.010 -9.660 505 1HB ASP 64 1HB ASP 64 3.357 3.239 -8.767 506 2HB ASP 64 2HB ASP 64 5.050 3.592 -9.102 507 H ARG 65 H ARG 65 6.980 1.783 -9.294 508 HA ARG 65 HA ARG 65 7.554 1.469 -12.073 509 1HB ARG 65 1HB ARG 65 8.903 3.004 -10.720 510 2HB ARG 65 2HB ARG 65 9.376 1.706 -9.650 511 1HG ARG 65 1HG ARG 65 10.147 1.733 -12.569 512 2HG ARG 65 2HG ARG 65 11.096 2.565 -11.341 513 1HD ARG 65 1HD ARG 65 11.451 0.478 -10.165 514 2HD ARG 65 2HD ARG 65 10.414 -0.372 -11.306 515 HE ARG 65 HE ARG 65 12.257 0.599 -12.929 516 1HH1 ARG 65 1HH1 ARG 65 12.733 -0.879 -9.739 517 2HH1 ARG 65 2HH1 ARG 65 14.137 -1.715 -10.173 518 1HH2 ARG 65 1HH2 ARG 65 14.166 -0.488 -13.529 519 2HH2 ARG 65 2HH2 ARG 65 15.022 -1.458 -12.418 520 H LYS 66 H LYS 66 7.783 -0.580 -9.229 521 HA LYS 66 HA LYS 66 9.099 -2.804 -10.399 522 1HB LYS 66 1HB LYS 66 7.078 -2.740 -8.153 523 2HB LYS 66 2HB LYS 66 8.087 -4.123 -8.540 524 1HG LYS 66 1HG LYS 66 9.099 -1.422 -7.652 525 2HG LYS 66 2HG LYS 66 8.901 -2.824 -6.607 526 1HD LYS 66 1HD LYS 66 10.713 -2.701 -9.026 527 2HD LYS 66 2HD LYS 66 11.238 -2.479 -7.364 528 1HE LYS 66 1HE LYS 66 10.443 -4.722 -6.810 529 2HE LYS 66 2HE LYS 66 9.935 -4.959 -8.475 530 1HZ LYS 66 1HZ LYS 66 12.727 -4.492 -7.582 531 2HZ LYS 66 2HZ LYS 66 12.230 -4.794 -9.180 532 3HZ LYS 66 3HZ LYS 66 12.053 -5.972 -8.001 533 H SER 67 H SER 67 5.628 -2.305 -9.777 534 HA SER 67 HA SER 67 5.039 -4.177 -11.936 535 1HB SER 67 1HB SER 67 4.095 -4.708 -9.633 536 2HB SER 67 2HB SER 67 3.234 -3.175 -9.687 537 HG SER 67 HG SER 67 2.604 -5.557 -10.770 538 H ASN 68 H ASN 68 5.248 -2.782 -13.623 539 HA ASN 68 HA ASN 68 4.094 -0.128 -13.326 540 1HB ASN 68 1HB ASN 68 6.509 -0.241 -13.740 541 2HB ASN 68 2HB ASN 68 6.196 -1.076 -15.252 542 1HD2 ASN 68 1HD2 ASN 68 4.316 1.641 -13.980 543 2HD2 ASN 68 2HD2 ASN 68 4.743 2.730 -15.244 544 H THR 69 H THR 69 2.186 0.077 -14.151 545 HA THR 69 HA THR 69 1.850 -0.415 -16.933 546 HB THR 69 HB THR 69 0.828 -2.354 -15.792 547 HG1 THR 69 HG1 THR 69 -0.311 -2.106 -17.490 548 1HG2 THR 69 1HG2 THR 69 -0.914 -0.275 -14.554 549 2HG2 THR 69 2HG2 THR 69 0.300 -1.257 -13.732 550 3HG2 THR 69 3HG2 THR 69 -1.169 -2.028 -14.385 551 H ARG 70 H ARG 70 0.220 1.190 -17.746 552 HA ARG 70 HA ARG 70 -0.380 3.135 -15.691 553 1HB ARG 70 1HB ARG 70 0.404 5.021 -17.031 554 2HB ARG 70 2HB ARG 70 1.704 3.933 -16.587 555 1HG ARG 70 1HG ARG 70 1.683 3.004 -18.855 556 2HG ARG 70 2HG ARG 70 0.376 4.113 -19.289 557 1HD ARG 70 1HD ARG 70 1.831 6.009 -18.716 558 2HD ARG 70 2HD ARG 70 3.131 4.878 -18.343 559 HE ARG 70 HE ARG 70 2.141 4.518 -20.976 560 1HH1 ARG 70 1HH1 ARG 70 4.233 6.579 -19.029 561 2HH1 ARG 70 2HH1 ARG 70 5.203 7.109 -20.302 562 1HH2 ARG 70 1HH2 ARG 70 3.444 5.215 -22.783 563 2HH2 ARG 70 2HH2 ARG 70 4.727 6.308 -22.524 564 H ASN 71 H ASN 71 -2.245 3.919 -15.763 565 HA ASN 71 HA ASN 71 -3.999 3.352 -17.969 566 1HB ASN 71 1HB ASN 71 -4.831 3.158 -15.657 567 2HB ASN 71 2HB ASN 71 -4.443 4.850 -15.368 568 1HD2 ASN 71 1HD2 ASN 71 -5.805 6.453 -16.180 569 2HD2 ASN 71 2HD2 ASN 71 -7.347 6.077 -16.848 570 H ASN 72 H ASN 72 -3.910 4.651 -19.674 571 HA ASN 72 HA ASN 72 -2.636 7.135 -19.730 572 1HB ASN 72 1HB ASN 72 -4.710 6.011 -21.622 573 2HB ASN 72 2HB ASN 72 -3.848 7.513 -21.909 574 1HD2 ASN 72 1HD2 ASN 72 -2.919 6.761 -23.773 575 2HD2 ASN 72 2HD2 ASN 72 -1.678 5.566 -23.790 576 H MET 73 H MET 73 -3.199 9.046 -19.137 577 HA MET 73 HA MET 73 -5.522 9.477 -17.655 578 1HB MET 73 1HB MET 73 -4.867 11.871 -17.615 579 2HB MET 73 2HB MET 73 -3.542 10.800 -17.205 580 1HG MET 73 1HG MET 73 -2.653 11.065 -19.487 581 2HG MET 73 2HG MET 73 -3.965 12.186 -19.844 582 1HE MET 73 1HE MET 73 -0.839 14.537 -19.647 583 2HE MET 73 2HE MET 73 -2.208 14.005 -20.624 584 3HE MET 73 3HE MET 73 -0.890 12.888 -20.269 585 H ILE 74 H ILE 74 -7.485 9.767 -18.239 586 HA ILE 74 HA ILE 74 -8.060 10.347 -20.991 587 HB ILE 74 HB ILE 74 -10.444 9.902 -20.384 588 1HG1 ILE 74 1HG1 ILE 74 -9.317 9.132 -17.667 589 2HG1 ILE 74 2HG1 ILE 74 -10.318 10.543 -17.983 590 1HG2 ILE 74 1HG2 ILE 74 -8.483 7.737 -19.659 591 2HG2 ILE 74 2HG2 ILE 74 -9.056 8.131 -21.276 592 3HG2 ILE 74 3HG2 ILE 74 -10.174 7.479 -20.078 593 1HD1 ILE 74 1HD1 ILE 74 -12.164 9.077 -18.619 594 2HD1 ILE 74 2HD1 ILE 74 -11.598 8.735 -16.983 595 3HD1 ILE 74 3HD1 ILE 74 -11.147 7.668 -18.313 596 H GLN 75 H GLN 75 -8.008 12.350 -21.589 597 HA GLN 75 HA GLN 75 -9.191 14.329 -19.805 598 1HB GLN 75 1HB GLN 75 -7.119 14.726 -21.983 599 2HB GLN 75 2HB GLN 75 -7.794 15.991 -20.970 600 1HG GLN 75 1HG GLN 75 -6.822 14.935 -18.996 601 2HG GLN 75 2HG GLN 75 -6.147 13.666 -20.013 602 1HE2 GLN 75 1HE2 GLN 75 -5.930 16.966 -19.054 603 2HE2 GLN 75 2HE2 GLN 75 -4.387 17.278 -19.778 Start of MODEL 6 1 1H GLY 2 1H GLY 2 -5.023 -6.824 13.652 2 1HA GLY 2 1HA GLY 2 -4.702 -7.848 10.930 3 2HA GLY 2 2HA GLY 2 -3.405 -7.273 11.962 4 H SER 3 H SER 3 -6.035 -9.637 12.245 5 HA SER 3 HA SER 3 -3.994 -11.647 12.854 6 1HB SER 3 1HB SER 3 -5.031 -10.921 14.996 7 2HB SER 3 2HB SER 3 -6.621 -11.311 14.350 8 HG SER 3 HG SER 3 -5.585 -12.920 15.713 9 H GLU 4 H GLU 4 -7.512 -11.400 12.458 10 HA GLU 4 HA GLU 4 -7.411 -13.486 10.421 11 1HB GLU 4 1HB GLU 4 -9.715 -12.315 12.013 12 2HB GLU 4 2HB GLU 4 -9.890 -13.567 10.794 13 1HG GLU 4 1HG GLU 4 -8.548 -15.089 12.133 14 2HG GLU 4 2HG GLU 4 -8.295 -13.830 13.336 15 H VAL 5 H VAL 5 -9.467 -12.826 8.786 16 HA VAL 5 HA VAL 5 -8.911 -10.043 8.164 17 HB VAL 5 HB VAL 5 -7.631 -11.420 6.597 18 1HG1 VAL 5 1HG1 VAL 5 -8.702 -12.849 4.938 19 2HG1 VAL 5 2HG1 VAL 5 -10.250 -12.606 5.745 20 3HG1 VAL 5 3HG1 VAL 5 -8.939 -13.436 6.586 21 1HG2 VAL 5 1HG2 VAL 5 -9.967 -10.043 5.276 22 2HG2 VAL 5 2HG2 VAL 5 -8.451 -10.470 4.479 23 3HG2 VAL 5 3HG2 VAL 5 -8.456 -9.291 5.788 24 H SER 6 H SER 6 -10.550 -8.768 7.882 25 HA SER 6 HA SER 6 -13.065 -9.687 6.895 26 1HB SER 6 1HB SER 6 -12.800 -8.479 9.674 27 2HB SER 6 2HB SER 6 -14.324 -8.769 8.832 28 HG SER 6 HG SER 6 -12.832 -10.974 8.811 29 H ASP 7 H ASP 7 -14.521 -7.697 6.643 30 HA ASP 7 HA ASP 7 -14.935 -5.632 5.871 31 1HB ASP 7 1HB ASP 7 -12.265 -4.938 7.091 32 2HB ASP 7 2HB ASP 7 -13.227 -3.749 6.227 33 H LYS 8 H LYS 8 -14.763 -4.588 3.902 34 HA LYS 8 HA LYS 8 -13.112 -5.835 1.977 35 1HB LYS 8 1HB LYS 8 -15.478 -4.693 1.651 36 2HB LYS 8 2HB LYS 8 -14.570 -3.188 1.657 37 1HG LYS 8 1HG LYS 8 -14.185 -5.417 -0.248 38 2HG LYS 8 2HG LYS 8 -15.218 -4.014 -0.498 39 1HD LYS 8 1HD LYS 8 -13.263 -2.578 -0.223 40 2HD LYS 8 2HD LYS 8 -12.252 -4.025 -0.061 41 1HE LYS 8 1HE LYS 8 -13.103 -4.815 -2.138 42 2HE LYS 8 2HE LYS 8 -14.039 -3.313 -2.255 43 1HZ LYS 8 1HZ LYS 8 -11.053 -3.418 -2.171 44 2HZ LYS 8 2HZ LYS 8 -11.969 -2.037 -2.350 45 3HZ LYS 8 3HZ LYS 8 -11.926 -3.176 -3.586 46 H ARG 9 H ARG 9 -13.317 -2.565 3.367 47 HA ARG 9 HA ARG 9 -10.451 -2.234 2.931 48 1HB ARG 9 1HB ARG 9 -12.520 -0.260 3.939 49 2HB ARG 9 2HB ARG 9 -10.828 0.091 3.665 50 1HG ARG 9 1HG ARG 9 -11.098 -0.257 1.298 51 2HG ARG 9 2HG ARG 9 -12.797 -0.698 1.527 52 1HD ARG 9 1HD ARG 9 -11.529 1.948 2.190 53 2HD ARG 9 2HD ARG 9 -12.579 1.622 0.808 54 HE ARG 9 HE ARG 9 -14.055 0.859 2.942 55 1HH1 ARG 9 1HH1 ARG 9 -12.388 3.854 2.113 56 2HH1 ARG 9 2HH1 ARG 9 -13.487 4.874 2.927 57 1HH2 ARG 9 1HH2 ARG 9 -15.581 2.277 4.105 58 2HH2 ARG 9 2HH2 ARG 9 -15.334 3.951 4.075 59 H THR 10 H THR 10 -9.566 -3.460 4.496 60 HA THR 10 HA THR 10 -10.605 -3.890 7.038 61 HB THR 10 HB THR 10 -7.744 -4.125 6.093 62 HG1 THR 10 HG1 THR 10 -9.990 -5.901 5.969 63 1HG2 THR 10 1HG2 THR 10 -8.012 -4.355 8.539 64 2HG2 THR 10 2HG2 THR 10 -7.579 -5.890 7.787 65 3HG2 THR 10 3HG2 THR 10 -9.245 -5.590 8.278 66 H CYS 11 H CYS 11 -8.673 -1.243 5.832 67 HA CYS 11 HA CYS 11 -8.924 -0.017 8.436 68 1HB CYS 11 1HB CYS 11 -6.654 -0.986 8.408 69 2HB CYS 11 2HB CYS 11 -6.320 -0.128 6.909 70 H VAL 12 H VAL 12 -9.191 2.157 8.326 71 HA VAL 12 HA VAL 12 -9.214 3.385 5.659 72 HB VAL 12 HB VAL 12 -11.083 4.761 6.466 73 1HG1 VAL 12 1HG1 VAL 12 -12.822 2.961 6.031 74 2HG1 VAL 12 2HG1 VAL 12 -11.569 1.747 6.301 75 3HG1 VAL 12 3HG1 VAL 12 -11.457 2.839 4.923 76 1HG2 VAL 12 1HG2 VAL 12 -11.275 2.680 8.639 77 2HG2 VAL 12 2HG2 VAL 12 -12.506 3.895 8.297 78 3HG2 VAL 12 3HG2 VAL 12 -10.904 4.391 8.843 79 H SER 13 H SER 13 -7.741 3.420 8.503 80 HA SER 13 HA SER 13 -7.684 6.278 8.888 81 1HB SER 13 1HB SER 13 -6.293 3.992 10.177 82 2HB SER 13 2HB SER 13 -6.245 5.689 10.760 83 HG SER 13 HG SER 13 -8.610 5.441 10.802 84 H LEU 14 H LEU 14 -5.823 7.519 8.414 85 HA LEU 14 HA LEU 14 -4.040 6.129 6.620 86 1HB LEU 14 1HB LEU 14 -4.584 9.072 6.842 87 2HB LEU 14 2HB LEU 14 -3.463 8.328 5.721 88 HG LEU 14 HG LEU 14 -5.426 7.013 4.855 89 1HD1 LEU 14 1HD1 LEU 14 -7.019 9.035 6.330 90 2HD1 LEU 14 2HD1 LEU 14 -6.937 7.272 6.526 91 3HD1 LEU 14 3HD1 LEU 14 -7.624 7.961 5.046 92 1HD2 LEU 14 1HD2 LEU 14 -6.227 8.865 3.417 93 2HD2 LEU 14 2HD2 LEU 14 -4.500 8.651 3.498 94 3HD2 LEU 14 3HD2 LEU 14 -5.260 9.975 4.405 95 H THR 15 H THR 15 -2.377 5.374 7.545 96 HA THR 15 HA THR 15 -1.170 6.345 9.825 97 HB THR 15 HB THR 15 -0.167 4.536 7.629 98 HG1 THR 15 HG1 THR 15 -1.790 3.490 8.384 99 1HG2 THR 15 1HG2 THR 15 1.306 3.633 9.322 100 2HG2 THR 15 2HG2 THR 15 0.648 4.799 10.486 101 3HG2 THR 15 3HG2 THR 15 1.595 5.368 9.094 102 H THR 16 H THR 16 -0.110 8.150 9.993 103 HA THR 16 HA THR 16 1.149 9.384 7.693 104 HB THR 16 HB THR 16 0.726 10.427 10.518 105 HG1 THR 16 HG1 THR 16 -1.013 9.865 8.737 106 1HG2 THR 16 1HG2 THR 16 2.495 11.631 9.248 107 2HG2 THR 16 2HG2 THR 16 1.072 12.644 9.499 108 3HG2 THR 16 3HG2 THR 16 1.352 11.891 7.929 109 H GLN 17 H GLN 17 1.904 7.441 10.400 110 HA GLN 17 HA GLN 17 4.661 8.257 10.563 111 1HB GLN 17 1HB GLN 17 4.974 6.344 12.097 112 2HB GLN 17 2HB GLN 17 3.611 7.336 12.584 113 1HG GLN 17 1HG GLN 17 2.089 5.710 11.604 114 2HG GLN 17 2HG GLN 17 3.461 4.707 11.129 115 1HE2 GLN 17 1HE2 GLN 17 2.759 2.993 12.383 116 2HE2 GLN 17 2HE2 GLN 17 2.861 3.008 14.102 117 H ARG 18 H ARG 18 6.394 6.449 10.238 118 HA ARG 18 HA ARG 18 5.823 5.548 7.513 119 1HB ARG 18 1HB ARG 18 8.495 6.194 8.715 120 2HB ARG 18 2HB ARG 18 8.171 5.767 7.040 121 1HG ARG 18 1HG ARG 18 6.723 7.767 6.871 122 2HG ARG 18 2HG ARG 18 7.251 8.227 8.487 123 1HD ARG 18 1HD ARG 18 8.987 7.754 6.119 124 2HD ARG 18 2HD ARG 18 8.500 9.347 6.701 125 HE ARG 18 HE ARG 18 9.781 7.790 8.732 126 1HH1 ARG 18 1HH1 ARG 18 10.470 9.912 5.955 127 2HH1 ARG 18 2HH1 ARG 18 12.017 10.335 6.494 128 1HH2 ARG 18 1HH2 ARG 18 11.959 8.406 9.466 129 2HH2 ARG 18 2HH2 ARG 18 12.866 9.474 8.495 130 H LEU 19 H LEU 19 6.784 3.662 6.716 131 HA LEU 19 HA LEU 19 7.498 1.591 8.682 132 1HB LEU 19 1HB LEU 19 5.819 1.378 6.166 133 2HB LEU 19 2HB LEU 19 6.546 -0.011 6.916 134 HG LEU 19 HG LEU 19 5.138 0.402 8.915 135 1HD1 LEU 19 1HD1 LEU 19 3.739 2.453 7.195 136 2HD1 LEU 19 2HD1 LEU 19 4.689 2.792 8.637 137 3HD1 LEU 19 3HD1 LEU 19 3.197 1.869 8.770 138 1HD2 LEU 19 1HD2 LEU 19 4.516 -1.226 7.267 139 2HD2 LEU 19 2HD2 LEU 19 3.718 0.010 6.301 140 3HD2 LEU 19 3HD2 LEU 19 3.071 -0.423 7.885 141 HA PRO 20 HA PRO 20 11.041 0.961 5.968 142 1HB PRO 20 1HB PRO 20 10.738 -1.929 5.976 143 2HB PRO 20 2HB PRO 20 12.011 -0.966 6.715 144 1HG PRO 20 1HG PRO 20 10.047 -2.344 8.047 145 2HG PRO 20 2HG PRO 20 11.007 -1.033 8.756 146 1HD PRO 20 1HD PRO 20 8.194 -1.073 7.874 147 2HD PRO 20 2HD PRO 20 9.002 0.033 8.993 148 H CYS 21 H CYS 21 10.999 1.158 3.839 149 HA CYS 21 HA CYS 21 8.653 0.668 2.363 150 1HB CYS 21 1HB CYS 21 10.430 2.457 1.930 151 2HB CYS 21 2HB CYS 21 11.374 1.172 1.171 152 H SER 22 H SER 22 11.503 -1.204 2.917 153 HA SER 22 HA SER 22 11.290 -2.977 0.754 154 1HB SER 22 1HB SER 22 13.333 -2.758 2.094 155 2HB SER 22 2HB SER 22 12.504 -3.426 3.498 156 HG SER 22 HG SER 22 13.789 -4.944 2.358 157 H ARG 23 H ARG 23 9.356 -2.674 3.626 158 HA ARG 23 HA ARG 23 8.540 -5.420 3.595 159 1HB ARG 23 1HB ARG 23 7.518 -3.107 5.226 160 2HB ARG 23 2HB ARG 23 6.943 -4.763 5.392 161 1HG ARG 23 1HG ARG 23 9.247 -5.454 5.936 162 2HG ARG 23 2HG ARG 23 9.729 -3.761 5.886 163 1HD ARG 23 1HD ARG 23 8.081 -3.280 7.652 164 2HD ARG 23 2HD ARG 23 7.700 -4.993 7.746 165 HE ARG 23 HE ARG 23 10.487 -4.402 8.021 166 1HH1 ARG 23 1HH1 ARG 23 7.452 -4.855 9.800 167 2HH1 ARG 23 2HH1 ARG 23 8.235 -5.078 11.293 168 1HH2 ARG 23 1HH2 ARG 23 11.522 -4.683 10.064 169 2HH2 ARG 23 2HH2 ARG 23 10.580 -4.977 11.450 170 H ILE 24 H ILE 24 7.723 -2.671 1.889 171 HA ILE 24 HA ILE 24 4.940 -3.055 1.560 172 HB ILE 24 HB ILE 24 6.910 -1.674 -0.292 173 1HG1 ILE 24 1HG1 ILE 24 6.718 -0.757 2.061 174 2HG1 ILE 24 2HG1 ILE 24 6.333 0.400 0.784 175 1HG2 ILE 24 1HG2 ILE 24 3.920 -1.546 -0.146 176 2HG2 ILE 24 2HG2 ILE 24 4.850 -2.398 -1.347 177 3HG2 ILE 24 3HG2 ILE 24 4.928 -0.619 -1.277 178 1HD1 ILE 24 1HD1 ILE 24 4.366 -1.100 2.527 179 2HD1 ILE 24 2HD1 ILE 24 3.972 0.052 1.230 180 3HD1 ILE 24 3HD1 ILE 24 4.820 0.606 2.666 181 H LYS 25 H LYS 25 3.964 -4.546 0.431 182 HA LYS 25 HA LYS 25 5.500 -6.168 -1.442 183 1HB LYS 25 1HB LYS 25 4.299 -7.122 0.503 184 2HB LYS 25 2HB LYS 25 2.801 -6.598 -0.212 185 1HG LYS 25 1HG LYS 25 4.654 -8.585 -1.546 186 2HG LYS 25 2HG LYS 25 3.322 -9.059 -0.502 187 1HD LYS 25 1HD LYS 25 1.773 -7.899 -2.055 188 2HD LYS 25 2HD LYS 25 3.144 -7.545 -3.109 189 1HE LYS 25 1HE LYS 25 1.906 -9.497 -3.866 190 2HE LYS 25 2HE LYS 25 3.548 -9.931 -3.381 191 1HZ LYS 25 1HZ LYS 25 1.921 -11.508 -2.557 192 2HZ LYS 25 2HZ LYS 25 1.109 -10.296 -1.700 193 3HZ LYS 25 3HZ LYS 25 2.674 -10.726 -1.281 194 H THR 26 H THR 26 2.291 -4.639 -1.095 195 HA THR 26 HA THR 26 2.382 -3.682 -3.781 196 HB THR 26 HB THR 26 1.506 -6.030 -4.085 197 HG1 THR 26 HG1 THR 26 -0.198 -5.402 -5.377 198 1HG2 THR 26 1HG2 THR 26 -0.796 -5.061 -2.377 199 2HG2 THR 26 2HG2 THR 26 0.377 -6.296 -1.927 200 3HG2 THR 26 3HG2 THR 26 -0.743 -6.589 -3.255 201 H TYR 27 H TYR 27 0.291 -2.397 -4.153 202 HA TYR 27 HA TYR 27 -0.883 -1.482 -1.644 203 1HB TYR 27 1HB TYR 27 -0.486 0.879 -2.147 204 2HB TYR 27 2HB TYR 27 1.062 0.118 -2.150 205 HD1 TYR 27 HD1 TYR 27 2.253 -0.244 -4.212 206 HD2 TYR 27 HD2 TYR 27 -1.500 1.684 -4.124 207 HE1 TYR 27 HE1 TYR 27 2.617 0.610 -6.528 208 HE2 TYR 27 HE2 TYR 27 -1.197 2.533 -6.332 209 HH TYR 27 HH TYR 27 1.251 1.331 -8.381 210 H THR 28 H THR 28 -2.740 -0.227 -2.038 211 HA THR 28 HA THR 28 -3.813 -0.127 -4.720 212 HB THR 28 HB THR 28 -5.364 -1.080 -2.320 213 HG1 THR 28 HG1 THR 28 -3.793 -2.401 -4.025 214 1HG2 THR 28 1HG2 THR 28 -6.714 0.199 -3.885 215 2HG2 THR 28 2HG2 THR 28 -7.181 -1.496 -3.941 216 3HG2 THR 28 3HG2 THR 28 -6.176 -0.812 -5.226 217 H ILE 29 H ILE 29 -4.386 1.943 -5.020 218 HA ILE 29 HA ILE 29 -4.740 3.627 -2.673 219 HB ILE 29 HB ILE 29 -4.684 4.405 -5.619 220 1HG1 ILE 29 1HG1 ILE 29 -2.570 4.739 -3.473 221 2HG1 ILE 29 2HG1 ILE 29 -2.501 3.582 -4.794 222 1HG2 ILE 29 1HG2 ILE 29 -4.664 6.148 -3.147 223 2HG2 ILE 29 2HG2 ILE 29 -6.006 5.968 -4.275 224 3HG2 ILE 29 3HG2 ILE 29 -4.503 6.719 -4.809 225 1HD1 ILE 29 1HD1 ILE 29 -1.105 5.519 -5.229 226 2HD1 ILE 29 2HD1 ILE 29 -2.515 6.574 -5.049 227 3HD1 ILE 29 3HD1 ILE 29 -2.436 5.431 -6.390 228 H THR 30 H THR 30 -6.708 4.286 -2.019 229 HA THR 30 HA THR 30 -8.896 3.314 -3.693 230 HB THR 30 HB THR 30 -10.204 3.156 -1.569 231 HG1 THR 30 HG1 THR 30 -7.643 3.453 -0.327 232 1HG2 THR 30 1HG2 THR 30 -9.182 1.158 -2.547 233 2HG2 THR 30 2HG2 THR 30 -9.144 1.072 -0.782 234 3HG2 THR 30 3HG2 THR 30 -7.685 1.488 -1.676 235 H GLU 31 H GLU 31 -10.099 4.867 -4.520 236 HA GLU 31 HA GLU 31 -10.049 7.411 -3.103 237 1HB GLU 31 1HB GLU 31 -10.109 6.984 -6.094 238 2HB GLU 31 2HB GLU 31 -10.133 8.541 -5.271 239 1HG GLU 31 1HG GLU 31 -7.915 8.054 -4.317 240 2HG GLU 31 2HG GLU 31 -7.902 6.528 -5.190 241 H GLY 32 H GLY 32 -11.912 8.305 -2.677 242 1HA GLY 32 1HA GLY 32 -14.233 8.162 -4.175 243 2HA GLY 32 2HA GLY 32 -14.309 6.942 -2.899 244 H SER 33 H SER 33 -15.105 7.574 -1.091 245 HA SER 33 HA SER 33 -15.548 10.370 -0.577 246 1HB SER 33 1HB SER 33 -17.303 8.687 -0.073 247 2HB SER 33 2HB SER 33 -16.239 7.936 1.106 248 HG SER 33 HG SER 33 -16.264 9.971 2.228 249 H LEU 34 H LEU 34 -13.461 7.810 0.500 250 HA LEU 34 HA LEU 34 -11.813 9.729 1.944 251 1HB LEU 34 1HB LEU 34 -13.209 8.407 3.562 252 2HB LEU 34 2HB LEU 34 -12.609 6.940 2.849 253 HG LEU 34 HG LEU 34 -11.678 7.460 5.073 254 1HD1 LEU 34 1HD1 LEU 34 -9.577 7.413 2.913 255 2HD1 LEU 34 2HD1 LEU 34 -10.414 6.015 3.596 256 3HD1 LEU 34 3HD1 LEU 34 -9.342 6.974 4.612 257 1HD2 LEU 34 1HD2 LEU 34 -9.989 9.228 5.322 258 2HD2 LEU 34 2HD2 LEU 34 -11.585 9.873 4.938 259 3HD2 LEU 34 3HD2 LEU 34 -10.350 9.778 3.684 260 H ARG 35 H ARG 35 -9.791 9.613 1.041 261 HA ARG 35 HA ARG 35 -9.306 7.226 -0.554 262 1HB ARG 35 1HB ARG 35 -7.906 8.451 -2.004 263 2HB ARG 35 2HB ARG 35 -9.299 9.473 -1.731 264 1HG ARG 35 1HG ARG 35 -7.886 10.634 0.037 265 2HG ARG 35 2HG ARG 35 -6.578 9.648 -0.656 266 1HD ARG 35 1HD ARG 35 -8.297 11.513 -2.206 267 2HD ARG 35 2HD ARG 35 -6.682 11.969 -1.641 268 HE ARG 35 HE ARG 35 -7.384 9.995 -3.709 269 1HH1 ARG 35 1HH1 ARG 35 -4.828 11.876 -2.106 270 2HH1 ARG 35 2HH1 ARG 35 -3.713 11.678 -3.387 271 1HH2 ARG 35 1HH2 ARG 35 -5.888 9.793 -5.451 272 2HH2 ARG 35 2HH2 ARG 35 -4.315 10.461 -5.314 273 H ALA 36 H ALA 36 -7.751 5.879 -0.005 274 HA ALA 36 HA ALA 36 -5.546 6.807 1.669 275 1HB ALA 36 1HB ALA 36 -5.809 4.950 3.236 276 2HB ALA 36 2HB ALA 36 -7.289 4.457 2.413 277 3HB ALA 36 3HB ALA 36 -7.227 6.003 3.264 278 H VAL 37 H VAL 37 -3.640 5.596 1.361 279 HA VAL 37 HA VAL 37 -3.769 3.747 -0.854 280 HB VAL 37 HB VAL 37 -1.349 4.622 0.740 281 1HG1 VAL 37 1HG1 VAL 37 -0.116 3.990 -1.257 282 2HG1 VAL 37 2HG1 VAL 37 -1.619 3.459 -2.016 283 3HG1 VAL 37 3HG1 VAL 37 -1.017 2.638 -0.575 284 1HG2 VAL 37 1HG2 VAL 37 -0.890 6.287 -0.980 285 2HG2 VAL 37 2HG2 VAL 37 -2.409 6.612 -0.153 286 3HG2 VAL 37 3HG2 VAL 37 -2.426 5.907 -1.772 287 H ILE 38 H ILE 38 -4.209 1.695 -0.304 288 HA ILE 38 HA ILE 38 -3.467 0.812 2.348 289 HB ILE 38 HB ILE 38 -5.207 -0.518 0.240 290 1HG1 ILE 38 1HG1 ILE 38 -5.861 0.710 2.936 291 2HG1 ILE 38 2HG1 ILE 38 -6.301 1.349 1.360 292 1HG2 ILE 38 1HG2 ILE 38 -4.512 -1.537 3.003 293 2HG2 ILE 38 2HG2 ILE 38 -3.993 -2.242 1.473 294 3HG2 ILE 38 3HG2 ILE 38 -5.700 -2.258 1.913 295 1HD1 ILE 38 1HD1 ILE 38 -7.765 -0.584 0.989 296 2HD1 ILE 38 2HD1 ILE 38 -8.196 0.276 2.472 297 3HD1 ILE 38 3HD1 ILE 38 -7.292 -1.231 2.559 298 H PHE 39 H PHE 39 -1.633 -0.048 2.612 299 HA PHE 39 HA PHE 39 -0.258 -1.340 0.387 300 1HB PHE 39 1HB PHE 39 0.738 -0.294 3.014 301 2HB PHE 39 2HB PHE 39 1.701 -1.338 1.980 302 HD1 PHE 39 HD1 PHE 39 2.164 -0.627 -0.315 303 HD2 PHE 39 HD2 PHE 39 0.606 1.986 2.620 304 HE1 PHE 39 HE1 PHE 39 2.925 1.274 -1.641 305 HE2 PHE 39 HE2 PHE 39 1.349 3.901 1.313 306 HZ PHE 39 HZ PHE 39 2.528 3.496 -0.891 307 H ILE 40 H ILE 40 0.426 -3.353 0.506 308 HA ILE 40 HA ILE 40 -0.508 -4.839 2.845 309 HB ILE 40 HB ILE 40 0.095 -6.051 0.141 310 1HG1 ILE 40 1HG1 ILE 40 -1.721 -4.440 -0.202 311 2HG1 ILE 40 2HG1 ILE 40 -2.322 -6.082 -0.321 312 1HG2 ILE 40 1HG2 ILE 40 -1.496 -6.915 2.533 313 2HG2 ILE 40 2HG2 ILE 40 0.092 -7.532 2.084 314 3HG2 ILE 40 3HG2 ILE 40 -1.321 -7.884 1.064 315 1HD1 ILE 40 1HD1 ILE 40 -2.633 -4.251 2.065 316 2HD1 ILE 40 2HD1 ILE 40 -3.198 -5.912 1.962 317 3HD1 ILE 40 3HD1 ILE 40 -3.895 -4.680 0.904 318 H THR 41 H THR 41 1.004 -5.948 3.878 319 HA THR 41 HA THR 41 3.758 -5.441 3.165 320 HB THR 41 HB THR 41 4.195 -6.695 5.324 321 HG1 THR 41 HG1 THR 41 1.394 -6.440 5.714 322 1HG2 THR 41 1HG2 THR 41 3.380 -4.865 6.762 323 2HG2 THR 41 2HG2 THR 41 2.314 -4.328 5.465 324 3HG2 THR 41 3HG2 THR 41 4.062 -4.237 5.260 325 H LYS 42 H LYS 42 5.317 -7.340 3.276 326 HA LYS 42 HA LYS 42 4.364 -9.446 1.593 327 1HB LYS 42 1HB LYS 42 7.051 -9.170 2.975 328 2HB LYS 42 2HB LYS 42 6.662 -10.349 1.738 329 1HG LYS 42 1HG LYS 42 6.288 -8.611 0.101 330 2HG LYS 42 2HG LYS 42 6.564 -7.368 1.316 331 1HD LYS 42 1HD LYS 42 8.599 -9.381 0.341 332 2HD LYS 42 2HD LYS 42 8.521 -7.680 -0.126 333 1HE LYS 42 1HE LYS 42 8.828 -7.068 2.255 334 2HE LYS 42 2HE LYS 42 9.022 -8.780 2.631 335 1HZ LYS 42 1HZ LYS 42 11.159 -7.730 2.411 336 2HZ LYS 42 2HZ LYS 42 10.767 -7.134 0.899 337 3HZ LYS 42 3HZ LYS 42 10.964 -8.787 1.110 338 H ARG 43 H ARG 43 4.248 -8.890 4.811 339 HA ARG 43 HA ARG 43 4.211 -11.612 5.732 340 1HB ARG 43 1HB ARG 43 4.826 -9.775 7.242 341 2HB ARG 43 2HB ARG 43 3.251 -9.043 7.012 342 1HG ARG 43 1HG ARG 43 2.194 -10.926 8.131 343 2HG ARG 43 2HG ARG 43 3.762 -11.712 8.305 344 1HD ARG 43 1HD ARG 43 4.546 -9.872 9.676 345 2HD ARG 43 2HD ARG 43 2.996 -9.051 9.481 346 HE ARG 43 HE ARG 43 2.155 -11.292 10.512 347 1HH1 ARG 43 1HH1 ARG 43 5.038 -9.468 11.470 348 2HH1 ARG 43 2HH1 ARG 43 4.953 -9.930 13.100 349 1HH2 ARG 43 1HH2 ARG 43 2.043 -11.916 12.744 350 2HH2 ARG 43 2HH2 ARG 43 3.202 -11.341 13.838 351 H GLY 44 H GLY 44 2.041 -9.495 4.132 352 1HA GLY 44 1HA GLY 44 0.079 -10.322 3.067 353 2HA GLY 44 2HA GLY 44 -0.062 -11.523 4.338 354 H LEU 45 H LEU 45 0.599 -8.767 5.912 355 HA LEU 45 HA LEU 45 -2.238 -8.342 6.563 356 1HB LEU 45 1HB LEU 45 0.265 -7.264 7.814 357 2HB LEU 45 2HB LEU 45 -1.363 -6.937 8.372 358 HG LEU 45 HG LEU 45 -0.014 -9.634 8.351 359 1HD1 LEU 45 1HD1 LEU 45 -0.787 -7.795 10.587 360 2HD1 LEU 45 2HD1 LEU 45 0.859 -8.114 10.026 361 3HD1 LEU 45 3HD1 LEU 45 -0.089 -9.407 10.784 362 1HD2 LEU 45 1HD2 LEU 45 -1.988 -10.396 9.598 363 2HD2 LEU 45 2HD2 LEU 45 -2.414 -9.854 7.979 364 3HD2 LEU 45 3HD2 LEU 45 -2.737 -8.817 9.371 365 H LYS 46 H LYS 46 -3.158 -6.456 6.704 366 HA LYS 46 HA LYS 46 -2.584 -4.782 4.408 367 1HB LYS 46 1HB LYS 46 -5.008 -5.217 6.124 368 2HB LYS 46 2HB LYS 46 -4.931 -4.014 4.847 369 1HG LYS 46 1HG LYS 46 -4.772 -5.615 3.191 370 2HG LYS 46 2HG LYS 46 -4.363 -6.901 4.335 371 1HD LYS 46 1HD LYS 46 -6.414 -6.947 5.213 372 2HD LYS 46 2HD LYS 46 -6.948 -5.405 4.508 373 1HE LYS 46 1HE LYS 46 -8.007 -7.233 3.320 374 2HE LYS 46 2HE LYS 46 -6.800 -6.453 2.297 375 1HZ LYS 46 1HZ LYS 46 -6.333 -8.985 3.804 376 2HZ LYS 46 2HZ LYS 46 -5.277 -8.265 2.715 377 3HZ LYS 46 3HZ LYS 46 -6.723 -8.914 2.171 378 H VAL 47 H VAL 47 -1.849 -2.871 4.584 379 HA VAL 47 HA VAL 47 -1.964 -1.433 7.132 380 HB VAL 47 HB VAL 47 0.115 -1.207 4.923 381 1HG1 VAL 47 1HG1 VAL 47 -0.194 0.923 6.074 382 2HG1 VAL 47 2HG1 VAL 47 1.375 0.219 6.465 383 3HG1 VAL 47 3HG1 VAL 47 0.056 0.126 7.629 384 1HG2 VAL 47 1HG2 VAL 47 0.344 -3.296 6.138 385 2HG2 VAL 47 2HG2 VAL 47 0.350 -2.427 7.671 386 3HG2 VAL 47 3HG2 VAL 47 1.678 -2.211 6.528 387 H CYS 48 H CYS 48 -2.447 0.807 6.975 388 HA CYS 48 HA CYS 48 -3.615 1.755 4.423 389 1HB CYS 48 1HB CYS 48 -5.098 3.014 6.096 390 2HB CYS 48 2HB CYS 48 -5.406 1.285 5.900 391 H ALA 49 H ALA 49 -2.665 3.633 3.716 392 HA ALA 49 HA ALA 49 -1.166 5.198 5.672 393 1HB ALA 49 1HB ALA 49 0.796 5.231 4.248 394 2HB ALA 49 2HB ALA 49 -0.040 4.195 3.080 395 3HB ALA 49 3HB ALA 49 0.364 3.570 4.674 396 H ASP 50 H ASP 50 -0.623 7.263 5.095 397 HA ASP 50 HA ASP 50 -2.659 8.597 3.588 398 1HB ASP 50 1HB ASP 50 -1.837 9.515 5.730 399 2HB ASP 50 2HB ASP 50 -0.236 9.668 5.031 400 HA PRO 51 HA PRO 51 -0.288 8.610 -0.216 401 1HB PRO 51 1HB PRO 51 -1.969 10.145 -1.679 402 2HB PRO 51 2HB PRO 51 -2.311 8.456 -1.296 403 1HG PRO 51 1HG PRO 51 -3.319 10.941 0.020 404 2HG PRO 51 2HG PRO 51 -4.220 9.480 -0.431 405 1HD PRO 51 1HD PRO 51 -3.395 9.970 2.094 406 2HD PRO 51 2HD PRO 51 -3.504 8.324 1.433 407 H GLN 52 H GLN 52 -0.874 11.345 1.787 408 HA GLN 52 HA GLN 52 0.448 13.184 -0.028 409 1HB GLN 52 1HB GLN 52 -0.773 13.642 2.701 410 2HB GLN 52 2HB GLN 52 -0.105 14.904 1.673 411 1HG GLN 52 1HG GLN 52 -2.463 13.150 1.012 412 2HG GLN 52 2HG GLN 52 -2.548 14.822 1.559 413 1HE2 GLN 52 1HE2 GLN 52 -1.977 16.454 0.144 414 2HE2 GLN 52 2HE2 GLN 52 -1.818 16.206 -1.546 415 H ALA 53 H ALA 53 1.200 10.974 2.302 416 HA ALA 53 HA ALA 53 3.546 12.219 3.403 417 1HB ALA 53 1HB ALA 53 4.033 9.983 4.248 418 2HB ALA 53 2HB ALA 53 2.744 9.316 3.246 419 3HB ALA 53 3HB ALA 53 2.352 10.409 4.572 420 H THR 54 H THR 54 5.426 12.448 2.505 421 HA THR 54 HA THR 54 5.877 11.912 -0.172 422 HB THR 54 HB THR 54 7.854 12.536 2.024 423 HG1 THR 54 HG1 THR 54 7.318 14.599 1.644 424 1HG2 THR 54 1HG2 THR 54 9.286 13.401 0.211 425 2HG2 THR 54 2HG2 THR 54 8.106 12.858 -0.984 426 3HG2 THR 54 3HG2 THR 54 8.978 11.678 -0.005 427 H TRP 55 H TRP 55 6.716 10.046 2.689 428 HA TRP 55 HA TRP 55 8.520 8.328 1.305 429 1HB TRP 55 1HB TRP 55 8.540 6.903 3.266 430 2HB TRP 55 2HB TRP 55 8.426 8.555 3.840 431 HD1 TRP 55 HD1 TRP 55 6.042 9.285 4.784 432 HE1 TRP 55 HE1 TRP 55 4.164 7.869 5.920 433 HE3 TRP 55 HE3 TRP 55 7.515 4.732 3.257 434 HZ2 TRP 55 HZ2 TRP 55 3.468 5.204 6.101 435 HZ3 TRP 55 HZ3 TRP 55 6.200 2.734 3.928 436 HH2 TRP 55 HH2 TRP 55 4.212 2.970 5.325 437 H VAL 56 H VAL 56 5.072 8.253 1.930 438 HA VAL 56 HA VAL 56 4.554 5.722 0.799 439 HB VAL 56 HB VAL 56 2.651 8.124 1.007 440 1HG1 VAL 56 1HG1 VAL 56 2.073 5.296 0.246 441 2HG1 VAL 56 2HG1 VAL 56 1.916 6.725 -0.773 442 3HG1 VAL 56 3HG1 VAL 56 0.869 6.525 0.633 443 1HG2 VAL 56 1HG2 VAL 56 1.707 6.910 2.871 444 2HG2 VAL 56 2HG2 VAL 56 3.422 7.207 3.163 445 3HG2 VAL 56 3HG2 VAL 56 2.878 5.612 2.650 446 H ARG 57 H ARG 57 4.551 8.970 -0.474 447 HA ARG 57 HA ARG 57 3.843 8.355 -3.083 448 1HB ARG 57 1HB ARG 57 5.587 10.560 -2.041 449 2HB ARG 57 2HB ARG 57 5.012 10.453 -3.700 450 1HG ARG 57 1HG ARG 57 2.754 10.430 -2.923 451 2HG ARG 57 2HG ARG 57 3.293 10.589 -1.255 452 1HD ARG 57 1HD ARG 57 4.311 12.727 -1.741 453 2HD ARG 57 2HD ARG 57 3.884 12.574 -3.448 454 HE ARG 57 HE ARG 57 1.567 12.341 -1.955 455 1HH1 ARG 57 1HH1 ARG 57 4.031 14.782 -2.573 456 2HH1 ARG 57 2HH1 ARG 57 2.960 16.104 -2.565 457 1HH2 ARG 57 1HH2 ARG 57 0.059 14.186 -1.914 458 2HH2 ARG 57 2HH2 ARG 57 0.670 15.754 -2.164 459 H ASP 58 H ASP 58 6.984 8.252 -1.572 460 HA ASP 58 HA ASP 58 8.302 7.522 -3.960 461 1HB ASP 58 1HB ASP 58 9.083 7.500 -1.090 462 2HB ASP 58 2HB ASP 58 10.059 6.602 -2.239 463 H CYS 59 H CYS 59 7.010 5.572 -1.283 464 HA CYS 59 HA CYS 59 7.960 3.122 -2.431 465 1HB CYS 59 1HB CYS 59 5.947 3.589 -0.293 466 2HB CYS 59 2HB CYS 59 6.603 2.034 -0.799 467 H VAL 60 H VAL 60 4.851 4.737 -2.411 468 HA VAL 60 HA VAL 60 3.366 2.630 -3.545 469 HB VAL 60 HB VAL 60 2.516 4.807 -2.383 470 1HG1 VAL 60 1HG1 VAL 60 3.658 6.433 -3.733 471 2HG1 VAL 60 2HG1 VAL 60 1.890 6.637 -3.838 472 3HG1 VAL 60 3HG1 VAL 60 2.774 5.848 -5.152 473 1HG2 VAL 60 1HG2 VAL 60 1.134 3.912 -4.896 474 2HG2 VAL 60 2HG2 VAL 60 0.405 4.837 -3.575 475 3HG2 VAL 60 3HG2 VAL 60 0.980 3.206 -3.289 476 H ARG 61 H ARG 61 5.597 4.930 -4.749 477 HA ARG 61 HA ARG 61 4.867 4.475 -7.488 478 1HB ARG 61 1HB ARG 61 5.364 6.727 -6.721 479 2HB ARG 61 2HB ARG 61 6.956 6.209 -6.197 480 1HG ARG 61 1HG ARG 61 7.535 5.684 -8.397 481 2HG ARG 61 2HG ARG 61 5.923 6.164 -8.974 482 1HD ARG 61 1HD ARG 61 6.314 8.455 -8.161 483 2HD ARG 61 2HD ARG 61 7.906 7.975 -7.580 484 HE ARG 61 HE ARG 61 7.592 7.492 -10.353 485 1HH1 ARG 61 1HH1 ARG 61 8.287 10.028 -7.992 486 2HH1 ARG 61 2HH1 ARG 61 9.117 11.037 -9.082 487 1HH2 ARG 61 1HH2 ARG 61 8.758 8.875 -11.886 488 2HH2 ARG 61 2HH2 ARG 61 9.396 10.354 -11.349 489 H SER 62 H SER 62 7.268 3.582 -5.094 490 HA SER 62 HA SER 62 9.257 2.510 -6.724 491 1HB SER 62 1HB SER 62 9.510 2.877 -4.233 492 2HB SER 62 2HB SER 62 8.399 1.556 -3.945 493 HG SER 62 HG SER 62 10.959 1.510 -5.071 494 H MET 63 H MET 63 6.347 1.035 -5.359 495 HA MET 63 HA MET 63 6.768 -1.552 -6.531 496 1HB MET 63 1HB MET 63 4.195 -0.278 -5.618 497 2HB MET 63 2HB MET 63 4.401 -1.971 -6.019 498 1HG MET 63 1HG MET 63 5.656 -0.500 -3.705 499 2HG MET 63 2HG MET 63 4.291 -1.599 -3.622 500 1HE MET 63 1HE MET 63 8.139 -1.218 -3.439 501 2HE MET 63 2HE MET 63 8.055 -1.641 -5.146 502 3HE MET 63 3HE MET 63 8.745 -2.774 -3.990 503 H ASP 64 H ASP 64 5.050 1.325 -7.479 504 HA ASP 64 HA ASP 64 3.763 0.345 -9.771 505 1HB ASP 64 1HB ASP 64 3.145 2.471 -8.743 506 2HB ASP 64 2HB ASP 64 4.738 3.124 -9.102 507 H ARG 65 H ARG 65 6.954 1.704 -9.239 508 HA ARG 65 HA ARG 65 7.743 1.936 -11.903 509 1HB ARG 65 1HB ARG 65 8.956 3.072 -10.111 510 2HB ARG 65 2HB ARG 65 9.479 1.532 -9.456 511 1HG ARG 65 1HG ARG 65 10.803 1.091 -11.436 512 2HG ARG 65 2HG ARG 65 10.217 2.571 -12.182 513 1HD ARG 65 1HD ARG 65 12.475 2.861 -11.274 514 2HD ARG 65 2HD ARG 65 11.312 3.890 -10.458 515 HE ARG 65 HE ARG 65 11.332 2.299 -8.623 516 1HH1 ARG 65 1HH1 ARG 65 14.054 2.035 -10.904 517 2HH1 ARG 65 2HH1 ARG 65 15.169 1.548 -9.695 518 1HH2 ARG 65 1HH2 ARG 65 12.914 1.624 -7.004 519 2HH2 ARG 65 2HH2 ARG 65 14.518 1.309 -7.475 520 H LYS 66 H LYS 66 7.773 -0.885 -9.764 521 HA LYS 66 HA LYS 66 9.399 -2.487 -11.397 522 1HB LYS 66 1HB LYS 66 7.120 -3.375 -9.632 523 2HB LYS 66 2HB LYS 66 8.414 -4.390 -10.240 524 1HG LYS 66 1HG LYS 66 10.023 -2.978 -8.959 525 2HG LYS 66 2HG LYS 66 8.636 -2.151 -8.246 526 1HD LYS 66 1HD LYS 66 9.282 -5.088 -8.032 527 2HD LYS 66 2HD LYS 66 9.460 -3.856 -6.774 528 1HE LYS 66 1HE LYS 66 7.039 -3.538 -6.719 529 2HE LYS 66 2HE LYS 66 6.842 -4.701 -8.031 530 1HZ LYS 66 1HZ LYS 66 7.914 -5.330 -5.319 531 2HZ LYS 66 2HZ LYS 66 7.701 -6.425 -6.570 532 3HZ LYS 66 3HZ LYS 66 6.375 -5.697 -5.872 533 H SER 67 H SER 67 6.164 -1.382 -11.761 534 HA SER 67 HA SER 67 5.616 -3.348 -13.856 535 1HB SER 67 1HB SER 67 3.903 -3.076 -12.073 536 2HB SER 67 2HB SER 67 3.766 -1.372 -12.482 537 HG SER 67 HG SER 67 3.345 -2.356 -14.712 538 H ASN 68 H ASN 68 7.169 -0.585 -13.608 539 HA ASN 68 HA ASN 68 6.106 0.675 -16.054 540 1HB ASN 68 1HB ASN 68 6.201 2.043 -13.854 541 2HB ASN 68 2HB ASN 68 7.949 1.850 -13.927 542 1HD2 ASN 68 1HD2 ASN 68 5.175 3.446 -15.323 543 2HD2 ASN 68 2HD2 ASN 68 6.067 4.634 -16.191 544 H THR 69 H THR 69 8.745 2.073 -16.406 545 HA THR 69 HA THR 69 10.016 0.060 -17.865 546 HB THR 69 HB THR 69 10.101 2.390 -18.560 547 HG1 THR 69 HG1 THR 69 12.126 2.248 -19.326 548 1HG2 THR 69 1HG2 THR 69 11.566 3.980 -17.404 549 2HG2 THR 69 2HG2 THR 69 11.896 2.710 -16.201 550 3HG2 THR 69 3HG2 THR 69 10.265 3.362 -16.365 551 H ARG 70 H ARG 70 11.697 -1.175 -17.437 552 HA ARG 70 HA ARG 70 12.646 -1.240 -14.686 553 1HB ARG 70 1HB ARG 70 13.612 -3.461 -15.314 554 2HB ARG 70 2HB ARG 70 11.864 -3.361 -15.445 555 1HG ARG 70 1HG ARG 70 12.024 -3.132 -17.846 556 2HG ARG 70 2HG ARG 70 13.786 -3.111 -17.745 557 1HD ARG 70 1HD ARG 70 13.809 -5.368 -16.927 558 2HD ARG 70 2HD ARG 70 12.050 -5.397 -16.832 559 HE ARG 70 HE ARG 70 12.122 -5.042 -19.292 560 1HH1 ARG 70 1HH1 ARG 70 14.814 -6.685 -17.668 561 2HH1 ARG 70 2HH1 ARG 70 15.188 -7.677 -18.979 562 1HH2 ARG 70 1HH2 ARG 70 12.610 -6.405 -21.089 563 2HH2 ARG 70 2HH2 ARG 70 13.888 -7.527 -21.005 564 H ASN 71 H ASN 71 15.053 -2.265 -14.717 565 HA ASN 71 HA ASN 71 16.850 -0.953 -16.517 566 1HB ASN 71 1HB ASN 71 16.272 0.876 -14.903 567 2HB ASN 71 2HB ASN 71 16.704 -0.183 -13.570 568 1HD2 ASN 71 1HD2 ASN 71 18.285 1.218 -12.811 569 2HD2 ASN 71 2HD2 ASN 71 19.771 1.454 -13.663 570 H ASN 72 H ASN 72 19.128 -1.667 -15.789 571 HA ASN 72 HA ASN 72 18.936 -4.395 -15.016 572 1HB ASN 72 1HB ASN 72 21.401 -4.523 -15.245 573 2HB ASN 72 2HB ASN 72 20.692 -3.736 -16.637 574 1HD2 ASN 72 1HD2 ASN 72 23.403 -3.677 -15.618 575 2HD2 ASN 72 2HD2 ASN 72 23.799 -2.026 -15.316 576 H MET 73 H MET 73 18.220 -4.682 -13.076 577 HA MET 73 HA MET 73 19.173 -3.035 -10.910 578 1HB MET 73 1HB MET 73 17.087 -5.211 -10.918 579 2HB MET 73 2HB MET 73 17.501 -4.244 -9.514 580 1HG MET 73 1HG MET 73 16.815 -2.217 -10.739 581 2HG MET 73 2HG MET 73 16.353 -3.228 -12.105 582 1HE MET 73 1HE MET 73 13.943 -2.120 -12.099 583 2HE MET 73 2HE MET 73 14.407 -1.110 -10.730 584 3HE MET 73 3HE MET 73 12.907 -2.038 -10.673 585 H ILE 74 H ILE 74 21.231 -3.584 -10.667 586 HA ILE 74 HA ILE 74 21.889 -6.321 -10.023 587 HB ILE 74 HB ILE 74 23.684 -3.879 -10.213 588 1HG1 ILE 74 1HG1 ILE 74 23.210 -6.132 -12.185 589 2HG1 ILE 74 2HG1 ILE 74 22.630 -4.480 -12.360 590 1HG2 ILE 74 1HG2 ILE 74 25.522 -5.521 -10.274 591 2HG2 ILE 74 2HG2 ILE 74 24.360 -6.824 -10.020 592 3HG2 ILE 74 3HG2 ILE 74 24.617 -5.610 -8.764 593 1HD1 ILE 74 1HD1 ILE 74 24.589 -4.886 -13.737 594 2HD1 ILE 74 2HD1 ILE 74 25.510 -5.357 -12.309 595 3HD1 ILE 74 3HD1 ILE 74 24.941 -3.696 -12.483 596 H GLN 75 H GLN 75 21.574 -6.941 -8.066 597 HA GLN 75 HA GLN 75 21.779 -5.061 -5.820 598 1HB GLN 75 1HB GLN 75 20.340 -7.702 -6.052 599 2HB GLN 75 2HB GLN 75 20.367 -6.682 -4.625 600 1HG GLN 75 1HG GLN 75 19.143 -4.964 -5.734 601 2HG GLN 75 2HG GLN 75 19.266 -5.803 -7.277 602 1HE2 GLN 75 1HE2 GLN 75 17.070 -5.825 -7.501 603 2HE2 GLN 75 2HE2 GLN 75 16.028 -6.875 -6.630 Start of MODEL 7 1 1H GLY 2 1H GLY 2 -9.210 -17.920 1.637 2 1HA GLY 2 1HA GLY 2 -7.656 -18.441 4.001 3 2HA GLY 2 2HA GLY 2 -7.267 -19.505 2.660 4 H SER 3 H SER 3 -6.742 -16.533 4.104 5 HA SER 3 HA SER 3 -5.354 -14.821 3.746 6 1HB SER 3 1HB SER 3 -3.749 -16.647 3.093 7 2HB SER 3 2HB SER 3 -4.279 -16.462 1.427 8 HG SER 3 HG SER 3 -3.404 -14.208 2.786 9 H GLU 4 H GLU 4 -7.934 -15.155 2.292 10 HA GLU 4 HA GLU 4 -7.416 -13.447 0.002 11 1HB GLU 4 1HB GLU 4 -9.684 -14.147 -0.795 12 2HB GLU 4 2HB GLU 4 -8.486 -15.431 -0.711 13 1HG GLU 4 1HG GLU 4 -9.460 -16.050 1.513 14 2HG GLU 4 2HG GLU 4 -10.762 -14.912 1.180 15 H VAL 5 H VAL 5 -7.162 -11.649 1.227 16 HA VAL 5 HA VAL 5 -9.686 -10.347 1.800 17 HB VAL 5 HB VAL 5 -8.569 -9.046 3.710 18 1HG1 VAL 5 1HG1 VAL 5 -8.888 -12.027 4.092 19 2HG1 VAL 5 2HG1 VAL 5 -10.176 -10.827 4.174 20 3HG1 VAL 5 3HG1 VAL 5 -8.893 -10.822 5.381 21 1HG2 VAL 5 1HG2 VAL 5 -6.532 -11.280 3.528 22 2HG2 VAL 5 2HG2 VAL 5 -6.637 -10.091 4.825 23 3HG2 VAL 5 3HG2 VAL 5 -6.233 -9.574 3.187 24 H SER 6 H SER 6 -9.708 -9.300 -0.131 25 HA SER 6 HA SER 6 -7.934 -7.054 -0.340 26 1HB SER 6 1HB SER 6 -6.690 -8.913 -1.449 27 2HB SER 6 2HB SER 6 -8.048 -9.134 -2.546 28 HG SER 6 HG SER 6 -6.131 -7.158 -2.408 29 H ASP 7 H ASP 7 -9.450 -5.523 -0.510 30 HA ASP 7 HA ASP 7 -11.219 -5.523 -2.765 31 1HB ASP 7 1HB ASP 7 -12.616 -6.617 -1.019 32 2HB ASP 7 2HB ASP 7 -12.289 -5.282 0.077 33 H LYS 8 H LYS 8 -12.442 -3.193 -2.553 34 HA LYS 8 HA LYS 8 -10.177 -1.433 -2.523 35 1HB LYS 8 1HB LYS 8 -13.082 -0.817 -3.135 36 2HB LYS 8 2HB LYS 8 -11.833 0.375 -3.194 37 1HG LYS 8 1HG LYS 8 -12.169 -0.114 -5.421 38 2HG LYS 8 2HG LYS 8 -10.799 -1.140 -5.038 39 1HD LYS 8 1HD LYS 8 -13.576 -2.153 -4.829 40 2HD LYS 8 2HD LYS 8 -12.821 -2.063 -6.420 41 1HE LYS 8 1HE LYS 8 -11.052 -3.562 -5.632 42 2HE LYS 8 2HE LYS 8 -11.772 -3.616 -4.031 43 1HZ LYS 8 1HZ LYS 8 -13.037 -4.591 -6.535 44 2HZ LYS 8 2HZ LYS 8 -13.734 -4.678 -4.993 45 3HZ LYS 8 3HZ LYS 8 -12.352 -5.553 -5.346 46 H ARG 9 H ARG 9 -13.376 -0.861 -1.137 47 HA ARG 9 HA ARG 9 -12.106 0.668 0.906 48 1HB ARG 9 1HB ARG 9 -15.017 0.176 0.331 49 2HB ARG 9 2HB ARG 9 -14.453 1.157 1.669 50 1HG ARG 9 1HG ARG 9 -13.314 2.648 0.055 51 2HG ARG 9 2HG ARG 9 -13.983 1.686 -1.262 52 1HD ARG 9 1HD ARG 9 -15.594 3.153 0.824 53 2HD ARG 9 2HD ARG 9 -15.285 3.729 -0.813 54 HE ARG 9 HE ARG 9 -16.406 1.407 -1.341 55 1HH1 ARG 9 1HH1 ARG 9 -17.405 3.821 1.062 56 2HH1 ARG 9 2HH1 ARG 9 -19.051 3.455 0.906 57 1HH2 ARG 9 1HH2 ARG 9 -18.665 0.965 -1.535 58 2HH2 ARG 9 2HH2 ARG 9 -19.795 1.835 -0.560 59 H THR 10 H THR 10 -10.980 -0.841 1.903 60 HA THR 10 HA THR 10 -12.514 -2.541 3.755 61 HB THR 10 HB THR 10 -11.108 -3.769 2.170 62 HG1 THR 10 HG1 THR 10 -11.407 -4.646 4.276 63 1HG2 THR 10 1HG2 THR 10 -8.782 -2.360 3.478 64 2HG2 THR 10 2HG2 THR 10 -9.313 -2.194 1.806 65 3HG2 THR 10 3HG2 THR 10 -8.628 -3.720 2.367 66 H CYS 11 H CYS 11 -10.870 0.202 3.439 67 HA CYS 11 HA CYS 11 -10.382 0.478 6.281 68 1HB CYS 11 1HB CYS 11 -8.272 -0.449 5.450 69 2HB CYS 11 2HB CYS 11 -8.165 0.849 4.267 70 H VAL 12 H VAL 12 -10.373 2.591 6.980 71 HA VAL 12 HA VAL 12 -11.117 4.650 4.988 72 HB VAL 12 HB VAL 12 -11.929 4.406 7.896 73 1HG1 VAL 12 1HG1 VAL 12 -13.448 6.283 7.440 74 2HG1 VAL 12 2HG1 VAL 12 -12.716 6.452 5.838 75 3HG1 VAL 12 3HG1 VAL 12 -11.740 6.696 7.288 76 1HG2 VAL 12 1HG2 VAL 12 -14.180 3.996 7.062 77 2HG2 VAL 12 2HG2 VAL 12 -13.045 2.770 6.472 78 3HG2 VAL 12 3HG2 VAL 12 -13.576 4.073 5.407 79 H SER 13 H SER 13 -9.012 3.754 7.546 80 HA SER 13 HA SER 13 -8.316 6.439 8.271 81 1HB SER 13 1HB SER 13 -7.288 3.788 9.162 82 2HB SER 13 2HB SER 13 -6.922 5.355 9.915 83 HG SER 13 HG SER 13 -9.272 5.540 10.137 84 H LEU 14 H LEU 14 -5.963 6.840 8.616 85 HA LEU 14 HA LEU 14 -4.289 5.952 6.382 86 1HB LEU 14 1HB LEU 14 -4.494 8.709 7.622 87 2HB LEU 14 2HB LEU 14 -3.380 8.254 6.347 88 HG LEU 14 HG LEU 14 -6.395 8.377 6.098 89 1HD1 LEU 14 1HD1 LEU 14 -4.267 10.180 4.976 90 2HD1 LEU 14 2HD1 LEU 14 -5.404 10.579 6.265 91 3HD1 LEU 14 3HD1 LEU 14 -5.994 10.280 4.632 92 1HD2 LEU 14 1HD2 LEU 14 -5.994 8.034 3.699 93 2HD2 LEU 14 2HD2 LEU 14 -5.472 6.655 4.663 94 3HD2 LEU 14 3HD2 LEU 14 -4.278 7.783 4.028 95 H THR 15 H THR 15 -1.879 7.225 7.424 96 HA THR 15 HA THR 15 -1.846 6.173 10.136 97 HB THR 15 HB THR 15 -1.171 4.261 8.623 98 HG1 THR 15 HG1 THR 15 0.343 3.601 10.000 99 1HG2 THR 15 1HG2 THR 15 0.039 5.600 6.917 100 2HG2 THR 15 2HG2 THR 15 1.038 4.307 7.578 101 3HG2 THR 15 3HG2 THR 15 1.277 5.963 8.124 102 H THR 16 H THR 16 0.473 6.406 10.978 103 HA THR 16 HA THR 16 1.705 8.893 10.048 104 HB THR 16 HB THR 16 1.191 8.167 12.962 105 HG1 THR 16 HG1 THR 16 -0.437 9.133 11.215 106 1HG2 THR 16 1HG2 THR 16 3.233 9.528 12.629 107 2HG2 THR 16 2HG2 THR 16 1.971 10.443 13.454 108 3HG2 THR 16 3HG2 THR 16 2.281 10.718 11.740 109 H GLN 17 H GLN 17 1.936 5.655 10.690 110 HA GLN 17 HA GLN 17 4.658 5.668 11.677 111 1HB GLN 17 1HB GLN 17 2.943 3.328 10.899 112 2HB GLN 17 2HB GLN 17 4.406 3.285 11.852 113 1HG GLN 17 1HG GLN 17 1.758 4.443 12.707 114 2HG GLN 17 2HG GLN 17 2.504 2.961 13.296 115 1HE2 GLN 17 1HE2 GLN 17 4.262 3.105 14.716 116 2HE2 GLN 17 2HE2 GLN 17 4.622 4.584 15.529 117 H ARG 18 H ARG 18 6.277 5.578 10.252 118 HA ARG 18 HA ARG 18 5.667 5.073 7.470 119 1HB ARG 18 1HB ARG 18 8.358 5.546 8.715 120 2HB ARG 18 2HB ARG 18 7.991 5.502 7.009 121 1HG ARG 18 1HG ARG 18 6.456 7.474 7.445 122 2HG ARG 18 2HG ARG 18 7.269 7.591 9.019 123 1HD ARG 18 1HD ARG 18 8.506 7.593 6.322 124 2HD ARG 18 2HD ARG 18 8.387 9.004 7.390 125 HE ARG 18 HE ARG 18 9.726 7.179 8.885 126 1HH1 ARG 18 1HH1 ARG 18 10.344 8.582 5.664 127 2HH1 ARG 18 2HH1 ARG 18 12.004 8.280 5.694 128 1HH2 ARG 18 1HH2 ARG 18 12.030 6.750 8.904 129 2HH2 ARG 18 2HH2 ARG 18 13.005 7.222 7.601 130 H LEU 19 H LEU 19 6.074 3.137 6.508 131 HA LEU 19 HA LEU 19 7.397 1.097 8.111 132 1HB LEU 19 1HB LEU 19 5.600 0.840 5.691 133 2HB LEU 19 2HB LEU 19 6.462 -0.501 6.400 134 HG LEU 19 HG LEU 19 5.138 -0.114 8.507 135 1HD1 LEU 19 1HD1 LEU 19 3.471 1.671 6.768 136 2HD1 LEU 19 2HD1 LEU 19 4.453 2.186 8.138 137 3HD1 LEU 19 3HD1 LEU 19 3.066 1.122 8.394 138 1HD2 LEU 19 1HD2 LEU 19 4.617 -1.876 6.937 139 2HD2 LEU 19 2HD2 LEU 19 3.577 -0.764 6.030 140 3HD2 LEU 19 3HD2 LEU 19 3.176 -1.207 7.696 141 HA PRO 20 HA PRO 20 10.935 1.299 5.426 142 1HB PRO 20 1HB PRO 20 11.510 -1.453 5.494 143 2HB PRO 20 2HB PRO 20 12.184 -0.240 6.582 144 1HG PRO 20 1HG PRO 20 10.002 -2.178 7.036 145 2HG PRO 20 2HG PRO 20 11.107 -1.440 8.198 146 1HD PRO 20 1HD PRO 20 8.487 -0.746 7.939 147 2HD PRO 20 2HD PRO 20 9.738 0.368 8.524 148 H CYS 21 H CYS 21 11.145 1.068 3.274 149 HA CYS 21 HA CYS 21 8.816 0.349 1.833 150 1HB CYS 21 1HB CYS 21 10.614 2.171 1.320 151 2HB CYS 21 2HB CYS 21 11.483 0.853 0.534 152 H SER 22 H SER 22 11.452 -1.429 2.905 153 HA SER 22 HA SER 22 11.629 -3.434 0.907 154 1HB SER 22 1HB SER 22 12.330 -3.579 3.839 155 2HB SER 22 2HB SER 22 13.012 -4.543 2.528 156 HG SER 22 HG SER 22 13.728 -2.501 1.626 157 H ARG 23 H ARG 23 9.338 -2.736 3.425 158 HA ARG 23 HA ARG 23 8.432 -5.504 3.572 159 1HB ARG 23 1HB ARG 23 7.513 -3.062 5.101 160 2HB ARG 23 2HB ARG 23 6.837 -4.666 5.306 161 1HG ARG 23 1HG ARG 23 9.035 -5.480 6.038 162 2HG ARG 23 2HG ARG 23 9.681 -3.848 5.868 163 1HD ARG 23 1HD ARG 23 8.046 -3.064 7.552 164 2HD ARG 23 2HD ARG 23 7.457 -4.715 7.725 165 HE ARG 23 HE ARG 23 10.183 -4.794 8.137 166 1HH1 ARG 23 1HH1 ARG 23 7.377 -3.365 9.760 167 2HH1 ARG 23 2HH1 ARG 23 8.118 -3.380 11.301 168 1HH2 ARG 23 1HH2 ARG 23 11.160 -4.800 10.303 169 2HH2 ARG 23 2HH2 ARG 23 10.257 -4.194 11.604 170 H ILE 24 H ILE 24 7.894 -2.913 1.605 171 HA ILE 24 HA ILE 24 5.054 -3.094 1.355 172 HB ILE 24 HB ILE 24 7.040 -1.903 -0.628 173 1HG1 ILE 24 1HG1 ILE 24 6.947 -0.866 1.698 174 2HG1 ILE 24 2HG1 ILE 24 6.625 0.241 0.360 175 1HG2 ILE 24 1HG2 ILE 24 4.068 -1.624 -0.378 176 2HG2 ILE 24 2HG2 ILE 24 4.910 -2.577 -1.574 177 3HG2 ILE 24 3HG2 ILE 24 5.077 -0.799 -1.586 178 1HD1 ILE 24 1HD1 ILE 24 4.573 -1.025 2.198 179 2HD1 ILE 24 2HD1 ILE 24 4.248 0.104 0.862 180 3HD1 ILE 24 3HD1 ILE 24 5.157 0.642 2.254 181 H LYS 25 H LYS 25 3.935 -4.490 0.270 182 HA LYS 25 HA LYS 25 5.299 -6.366 -1.536 183 1HB LYS 25 1HB LYS 25 4.364 -7.146 0.600 184 2HB LYS 25 2HB LYS 25 2.793 -6.607 0.093 185 1HG LYS 25 1HG LYS 25 4.312 -8.751 -1.386 186 2HG LYS 25 2HG LYS 25 3.248 -9.121 -0.040 187 1HD LYS 25 1HD LYS 25 1.394 -8.048 -1.310 188 2HD LYS 25 2HD LYS 25 2.492 -7.846 -2.674 189 1HE LYS 25 1HE LYS 25 1.686 -10.458 -1.397 190 2HE LYS 25 2HE LYS 25 1.098 -9.834 -2.930 191 1HZ LYS 25 1HZ LYS 25 3.339 -9.981 -3.807 192 2HZ LYS 25 2HZ LYS 25 2.807 -11.470 -3.225 193 3HZ LYS 25 3HZ LYS 25 3.917 -10.581 -2.332 194 H THR 26 H THR 26 2.325 -4.464 -1.027 195 HA THR 26 HA THR 26 2.113 -3.898 -3.804 196 HB THR 26 HB THR 26 1.093 -6.175 -3.742 197 HG1 THR 26 HG1 THR 26 -1.251 -5.007 -4.124 198 1HG2 THR 26 1HG2 THR 26 -0.854 -4.940 -1.802 199 2HG2 THR 26 2HG2 THR 26 0.339 -6.194 -1.444 200 3HG2 THR 26 3HG2 THR 26 -1.016 -6.542 -2.520 201 H TYR 27 H TYR 27 0.190 -2.451 -4.131 202 HA TYR 27 HA TYR 27 -0.884 -1.381 -1.659 203 1HB TYR 27 1HB TYR 27 -0.458 0.934 -2.231 204 2HB TYR 27 2HB TYR 27 1.071 0.123 -2.336 205 HD1 TYR 27 HD1 TYR 27 -1.728 1.445 -4.305 206 HD2 TYR 27 HD2 TYR 27 2.316 0.186 -4.365 207 HE1 TYR 27 HE1 TYR 27 -1.519 2.396 -6.502 208 HE2 TYR 27 HE2 TYR 27 2.566 1.164 -6.637 209 HH TYR 27 HH TYR 27 1.177 1.780 -8.533 210 H THR 28 H THR 28 -2.771 -0.142 -2.053 211 HA THR 28 HA THR 28 -4.013 -0.427 -4.682 212 HB THR 28 HB THR 28 -5.464 -0.939 -2.095 213 HG1 THR 28 HG1 THR 28 -4.402 -2.778 -2.161 214 1HG2 THR 28 1HG2 THR 28 -6.173 -1.533 -4.976 215 2HG2 THR 28 2HG2 THR 28 -6.846 -0.243 -3.979 216 3HG2 THR 28 3HG2 THR 28 -7.175 -1.927 -3.578 217 H ILE 29 H ILE 29 -4.501 1.689 -5.187 218 HA ILE 29 HA ILE 29 -4.993 3.508 -2.971 219 HB ILE 29 HB ILE 29 -4.852 4.127 -5.954 220 1HG1 ILE 29 1HG1 ILE 29 -2.773 4.623 -3.767 221 2HG1 ILE 29 2HG1 ILE 29 -2.649 3.421 -5.028 222 1HG2 ILE 29 1HG2 ILE 29 -4.745 6.491 -5.244 223 2HG2 ILE 29 2HG2 ILE 29 -4.964 5.991 -3.566 224 3HG2 ILE 29 3HG2 ILE 29 -6.253 5.728 -4.740 225 1HD1 ILE 29 1HD1 ILE 29 -2.578 5.185 -6.694 226 2HD1 ILE 29 2HD1 ILE 29 -1.303 5.368 -5.477 227 3HD1 ILE 29 3HD1 ILE 29 -2.746 6.384 -5.410 228 H THR 30 H THR 30 -6.952 4.128 -2.389 229 HA THR 30 HA THR 30 -9.177 3.051 -3.985 230 HB THR 30 HB THR 30 -10.276 2.446 -1.844 231 HG1 THR 30 HG1 THR 30 -7.714 3.026 -0.706 232 1HG2 THR 30 1HG2 THR 30 -7.550 1.197 -2.234 233 2HG2 THR 30 2HG2 THR 30 -9.019 0.747 -3.101 234 3HG2 THR 30 3HG2 THR 30 -8.899 0.467 -1.365 235 H GLU 31 H GLU 31 -11.118 4.209 -3.796 236 HA GLU 31 HA GLU 31 -10.832 6.793 -2.486 237 1HB GLU 31 1HB GLU 31 -12.164 7.782 -4.346 238 2HB GLU 31 2HB GLU 31 -10.586 7.187 -4.830 239 1HG GLU 31 1HG GLU 31 -11.613 5.211 -5.768 240 2HG GLU 31 2HG GLU 31 -13.196 5.769 -5.229 241 H GLY 32 H GLY 32 -12.375 7.398 -1.232 242 1HA GLY 32 1HA GLY 32 -15.132 6.610 -1.527 243 2HA GLY 32 2HA GLY 32 -14.335 5.901 -0.121 244 H SER 33 H SER 33 -14.737 9.020 -1.769 245 HA SER 33 HA SER 33 -14.889 11.158 -1.066 246 1HB SER 33 1HB SER 33 -15.738 9.896 1.560 247 2HB SER 33 2HB SER 33 -15.927 11.603 1.154 248 HG SER 33 HG SER 33 -17.455 11.139 -0.257 249 H LEU 34 H LEU 34 -12.565 9.437 -0.654 250 HA LEU 34 HA LEU 34 -10.609 11.116 0.363 251 1HB LEU 34 1HB LEU 34 -11.581 10.621 2.581 252 2HB LEU 34 2HB LEU 34 -11.540 8.906 2.225 253 HG LEU 34 HG LEU 34 -9.116 8.997 2.228 254 1HD1 LEU 34 1HD1 LEU 34 -9.485 11.844 3.149 255 2HD1 LEU 34 2HD1 LEU 34 -8.752 11.320 1.635 256 3HD1 LEU 34 3HD1 LEU 34 -7.958 10.965 3.167 257 1HD2 LEU 34 1HD2 LEU 34 -10.433 10.016 4.738 258 2HD2 LEU 34 2HD2 LEU 34 -8.851 9.238 4.663 259 3HD2 LEU 34 3HD2 LEU 34 -10.295 8.333 4.228 260 H ARG 35 H ARG 35 -8.784 10.280 -0.646 261 HA ARG 35 HA ARG 35 -9.010 7.484 -1.408 262 1HB ARG 35 1HB ARG 35 -7.319 7.880 -3.143 263 2HB ARG 35 2HB ARG 35 -8.690 8.953 -3.344 264 1HG ARG 35 1HG ARG 35 -7.345 10.725 -2.210 265 2HG ARG 35 2HG ARG 35 -6.018 9.551 -2.227 266 1HD ARG 35 1HD ARG 35 -5.947 9.525 -4.601 267 2HD ARG 35 2HD ARG 35 -7.435 10.468 -4.717 268 HE ARG 35 HE ARG 35 -5.585 11.911 -3.236 269 1HH1 ARG 35 1HH1 ARG 35 -5.967 10.822 -6.575 270 2HH1 ARG 35 2HH1 ARG 35 -5.175 12.153 -7.260 271 1HH2 ARG 35 1HH2 ARG 35 -4.506 13.746 -4.171 272 2HH2 ARG 35 2HH2 ARG 35 -4.298 13.866 -5.845 273 H ALA 36 H ALA 36 -7.863 6.060 -0.519 274 HA ALA 36 HA ALA 36 -5.542 6.890 1.064 275 1HB ALA 36 1HB ALA 36 -6.144 5.138 2.667 276 2HB ALA 36 2HB ALA 36 -7.593 4.775 1.729 277 3HB ALA 36 3HB ALA 36 -7.426 6.343 2.520 278 H VAL 37 H VAL 37 -3.747 5.653 0.779 279 HA VAL 37 HA VAL 37 -4.081 3.536 -1.133 280 HB VAL 37 HB VAL 37 -2.441 5.180 -1.837 281 1HG1 VAL 37 1HG1 VAL 37 -0.387 5.591 -0.618 282 2HG1 VAL 37 2HG1 VAL 37 -0.996 4.621 0.723 283 3HG1 VAL 37 3HG1 VAL 37 -1.809 6.122 0.277 284 1HG2 VAL 37 1HG2 VAL 37 -0.482 3.752 -2.168 285 2HG2 VAL 37 2HG2 VAL 37 -1.991 2.876 -2.442 286 3HG2 VAL 37 3HG2 VAL 37 -1.094 2.644 -0.942 287 H ILE 38 H ILE 38 -4.176 1.641 -0.485 288 HA ILE 38 HA ILE 38 -3.477 1.003 2.274 289 HB ILE 38 HB ILE 38 -5.156 -0.525 0.255 290 1HG1 ILE 38 1HG1 ILE 38 -5.971 1.135 2.658 291 2HG1 ILE 38 2HG1 ILE 38 -6.134 1.621 0.978 292 1HG2 ILE 38 1HG2 ILE 38 -4.731 -1.036 3.214 293 2HG2 ILE 38 2HG2 ILE 38 -4.123 -2.038 1.900 294 3HG2 ILE 38 3HG2 ILE 38 -5.856 -1.908 2.175 295 1HD1 ILE 38 1HD1 ILE 38 -7.528 -0.684 2.303 296 2HD1 ILE 38 2HD1 ILE 38 -7.707 -0.212 0.613 297 3HD1 ILE 38 3HD1 ILE 38 -8.242 0.876 1.900 298 H PHE 39 H PHE 39 -1.648 0.040 2.608 299 HA PHE 39 HA PHE 39 -0.332 -1.399 0.429 300 1HB PHE 39 1HB PHE 39 0.779 -0.196 2.953 301 2HB PHE 39 2HB PHE 39 1.695 -1.279 1.915 302 HD1 PHE 39 HD1 PHE 39 2.316 -0.613 -0.304 303 HD2 PHE 39 HD2 PHE 39 0.376 2.048 2.347 304 HE1 PHE 39 HE1 PHE 39 3.017 1.267 -1.717 305 HE2 PHE 39 HE2 PHE 39 1.054 3.940 0.947 306 HZ PHE 39 HZ PHE 39 2.388 3.524 -1.117 307 H ILE 40 H ILE 40 0.178 -3.434 0.614 308 HA ILE 40 HA ILE 40 -0.566 -4.724 3.135 309 HB ILE 40 HB ILE 40 -0.217 -6.155 0.482 310 1HG1 ILE 40 1HG1 ILE 40 -2.017 -4.493 0.168 311 2HG1 ILE 40 2HG1 ILE 40 -2.642 -6.129 0.162 312 1HG2 ILE 40 1HG2 ILE 40 -1.591 -7.873 1.611 313 2HG2 ILE 40 2HG2 ILE 40 -1.690 -6.794 3.015 314 3HG2 ILE 40 3HG2 ILE 40 -0.133 -7.479 2.546 315 1HD1 ILE 40 1HD1 ILE 40 -3.415 -5.842 2.464 316 2HD1 ILE 40 2HD1 ILE 40 -4.123 -4.624 1.394 317 3HD1 ILE 40 3HD1 ILE 40 -2.793 -4.190 2.475 318 H THR 41 H THR 41 1.098 -5.744 4.159 319 HA THR 41 HA THR 41 3.711 -5.303 3.011 320 HB THR 41 HB THR 41 4.554 -6.053 5.220 321 HG1 THR 41 HG1 THR 41 2.955 -6.234 6.875 322 1HG2 THR 41 1HG2 THR 41 2.408 -3.930 5.325 323 2HG2 THR 41 2HG2 THR 41 4.073 -3.688 4.805 324 3HG2 THR 41 3HG2 THR 41 3.728 -4.107 6.482 325 H LYS 42 H LYS 42 5.348 -7.099 3.428 326 HA LYS 42 HA LYS 42 4.501 -9.425 1.992 327 1HB LYS 42 1HB LYS 42 7.131 -8.814 3.354 328 2HB LYS 42 2HB LYS 42 6.849 -10.137 2.231 329 1HG LYS 42 1HG LYS 42 6.365 -8.563 0.452 330 2HG LYS 42 2HG LYS 42 6.574 -7.215 1.567 331 1HD LYS 42 1HD LYS 42 8.916 -7.857 1.888 332 2HD LYS 42 2HD LYS 42 8.694 -9.206 0.769 333 1HE LYS 42 1HE LYS 42 8.139 -7.632 -1.019 334 2HE LYS 42 2HE LYS 42 8.319 -6.290 0.101 335 1HZ LYS 42 1HZ LYS 42 10.277 -6.569 -1.257 336 2HZ LYS 42 2HZ LYS 42 10.491 -8.142 -0.740 337 3HZ LYS 42 3HZ LYS 42 10.656 -6.859 0.353 338 H ARG 43 H ARG 43 4.488 -8.523 5.189 339 HA ARG 43 HA ARG 43 4.536 -11.159 6.348 340 1HB ARG 43 1HB ARG 43 5.266 -9.218 7.655 341 2HB ARG 43 2HB ARG 43 3.698 -8.462 7.449 342 1HG ARG 43 1HG ARG 43 2.669 -10.227 8.796 343 2HG ARG 43 2HG ARG 43 4.245 -10.993 8.995 344 1HD ARG 43 1HD ARG 43 5.084 -9.043 10.152 345 2HD ARG 43 2HD ARG 43 3.564 -8.190 9.871 346 HE ARG 43 HE ARG 43 3.040 -10.587 11.201 347 1HH1 ARG 43 1HH1 ARG 43 4.578 -7.457 11.857 348 2HH1 ARG 43 2HH1 ARG 43 4.199 -7.473 13.522 349 1HH2 ARG 43 1HH2 ARG 43 2.523 -10.559 13.512 350 2HH2 ARG 43 2HH2 ARG 43 3.042 -9.237 14.454 351 H GLY 44 H GLY 44 2.298 -9.134 4.743 352 1HA GLY 44 1HA GLY 44 0.261 -9.923 3.896 353 2HA GLY 44 2HA GLY 44 0.172 -11.081 5.212 354 H LEU 45 H LEU 45 1.040 -7.989 6.267 355 HA LEU 45 HA LEU 45 -1.618 -7.642 7.441 356 1HB LEU 45 1HB LEU 45 0.939 -6.112 7.860 357 2HB LEU 45 2HB LEU 45 -0.575 -5.798 8.679 358 HG LEU 45 HG LEU 45 1.063 -8.305 8.913 359 1HD1 LEU 45 1HD1 LEU 45 0.534 -6.053 10.824 360 2HD1 LEU 45 2HD1 LEU 45 2.061 -6.359 9.991 361 3HD1 LEU 45 3HD1 LEU 45 1.459 -7.509 11.197 362 1HD2 LEU 45 1HD2 LEU 45 -0.494 -8.893 10.706 363 2HD2 LEU 45 2HD2 LEU 45 -1.310 -8.775 9.152 364 3HD2 LEU 45 3HD2 LEU 45 -1.466 -7.471 10.330 365 H LYS 46 H LYS 46 -2.752 -5.886 7.350 366 HA LYS 46 HA LYS 46 -2.619 -4.532 4.765 367 1HB LYS 46 1HB LYS 46 -4.841 -4.865 6.768 368 2HB LYS 46 2HB LYS 46 -4.976 -4.085 5.190 369 1HG LYS 46 1HG LYS 46 -4.652 -6.071 4.041 370 2HG LYS 46 2HG LYS 46 -4.041 -6.904 5.482 371 1HD LYS 46 1HD LYS 46 -6.280 -7.629 4.970 372 2HD LYS 46 2HD LYS 46 -6.228 -6.721 6.480 373 1HE LYS 46 1HE LYS 46 -7.001 -4.690 5.260 374 2HE LYS 46 2HE LYS 46 -7.111 -5.653 3.785 375 1HZ LYS 46 1HZ LYS 46 -8.701 -6.056 6.262 376 2HZ LYS 46 2HZ LYS 46 -8.834 -7.020 4.916 377 3HZ LYS 46 3HZ LYS 46 -9.291 -5.401 4.842 378 H VAL 47 H VAL 47 -1.859 -2.629 4.824 379 HA VAL 47 HA VAL 47 -2.036 -1.020 7.283 380 HB VAL 47 HB VAL 47 0.100 -0.905 5.132 381 1HG1 VAL 47 1HG1 VAL 47 -0.200 1.243 6.241 382 2HG1 VAL 47 2HG1 VAL 47 1.340 0.516 6.703 383 3HG1 VAL 47 3HG1 VAL 47 -0.025 0.470 7.817 384 1HG2 VAL 47 1HG2 VAL 47 1.592 -1.947 6.758 385 2HG2 VAL 47 2HG2 VAL 47 0.225 -2.992 6.392 386 3HG2 VAL 47 3HG2 VAL 47 0.260 -2.082 7.904 387 H CYS 48 H CYS 48 -2.489 1.219 6.990 388 HA CYS 48 HA CYS 48 -3.551 1.891 4.331 389 1HB CYS 48 1HB CYS 48 -4.513 2.817 7.033 390 2HB CYS 48 2HB CYS 48 -5.282 3.127 5.478 391 H ALA 49 H ALA 49 -2.618 3.717 3.494 392 HA ALA 49 HA ALA 49 -1.080 5.382 5.316 393 1HB ALA 49 1HB ALA 49 0.810 5.341 3.861 394 2HB ALA 49 2HB ALA 49 -0.045 4.310 2.717 395 3HB ALA 49 3HB ALA 49 0.391 3.688 4.308 396 H ASP 50 H ASP 50 -0.557 7.384 4.638 397 HA ASP 50 HA ASP 50 -2.649 8.775 3.320 398 1HB ASP 50 1HB ASP 50 0.066 9.687 4.262 399 2HB ASP 50 2HB ASP 50 -1.295 10.705 3.837 400 HA PRO 51 HA PRO 51 -0.519 8.447 -0.681 401 1HB PRO 51 1HB PRO 51 -2.246 9.988 -2.092 402 2HB PRO 51 2HB PRO 51 -2.626 8.319 -1.649 403 1HG PRO 51 1HG PRO 51 -3.469 10.867 -0.312 404 2HG PRO 51 2HG PRO 51 -4.447 9.442 -0.707 405 1HD PRO 51 1HD PRO 51 -3.501 9.877 1.765 406 2HD PRO 51 2HD PRO 51 -3.647 8.236 1.099 407 H GLN 52 H GLN 52 -1.024 11.073 1.303 408 HA GLN 52 HA GLN 52 0.275 13.082 -0.356 409 1HB GLN 52 1HB GLN 52 -0.784 13.216 2.469 410 2HB GLN 52 2HB GLN 52 -0.121 14.573 1.575 411 1HG GLN 52 1HG GLN 52 -1.935 14.417 -0.036 412 2HG GLN 52 2HG GLN 52 -2.585 13.014 0.810 413 1HE2 GLN 52 1HE2 GLN 52 -3.585 13.301 2.792 414 2HE2 GLN 52 2HE2 GLN 52 -4.090 14.842 3.365 415 H ALA 53 H ALA 53 0.998 10.796 2.131 416 HA ALA 53 HA ALA 53 3.240 12.102 3.288 417 1HB ALA 53 1HB ALA 53 3.739 9.916 4.254 418 2HB ALA 53 2HB ALA 53 2.535 9.171 3.200 419 3HB ALA 53 3HB ALA 53 2.035 10.323 4.440 420 H THR 54 H THR 54 5.182 12.333 2.609 421 HA THR 54 HA THR 54 5.922 11.799 0.002 422 HB THR 54 HB THR 54 7.659 12.454 2.387 423 HG1 THR 54 HG1 THR 54 6.709 14.338 2.198 424 1HG2 THR 54 1HG2 THR 54 9.241 13.359 0.716 425 2HG2 THR 54 2HG2 THR 54 8.178 12.806 -0.580 426 3HG2 THR 54 3HG2 THR 54 8.974 11.631 0.466 427 H TRP 55 H TRP 55 6.467 9.920 2.943 428 HA TRP 55 HA TRP 55 8.416 8.214 1.721 429 1HB TRP 55 1HB TRP 55 8.219 6.704 3.644 430 2HB TRP 55 2HB TRP 55 8.207 8.361 4.213 431 HD1 TRP 55 HD1 TRP 55 5.929 9.233 5.200 432 HE1 TRP 55 HE1 TRP 55 3.898 8.006 6.249 433 HE3 TRP 55 HE3 TRP 55 6.891 4.626 3.467 434 HZ2 TRP 55 HZ2 TRP 55 2.900 5.460 6.321 435 HZ3 TRP 55 HZ3 TRP 55 5.340 2.768 4.048 436 HH2 TRP 55 HH2 TRP 55 3.379 3.181 5.449 437 H VAL 56 H VAL 56 5.012 8.223 1.936 438 HA VAL 56 HA VAL 56 4.517 5.662 0.787 439 HB VAL 56 HB VAL 56 2.803 8.123 1.109 440 1HG1 VAL 56 1HG1 VAL 56 0.906 6.641 0.587 441 2HG1 VAL 56 2HG1 VAL 56 2.063 5.370 0.124 442 3HG1 VAL 56 3HG1 VAL 56 1.987 6.872 -0.785 443 1HG2 VAL 56 1HG2 VAL 56 2.811 5.494 2.555 444 2HG2 VAL 56 2HG2 VAL 56 1.709 6.852 2.841 445 3HG2 VAL 56 3HG2 VAL 56 3.433 7.027 3.169 446 H ARG 57 H ARG 57 4.452 8.971 -0.376 447 HA ARG 57 HA ARG 57 3.739 8.522 -3.022 448 1HB ARG 57 1HB ARG 57 5.575 10.636 -1.901 449 2HB ARG 57 2HB ARG 57 4.933 10.668 -3.533 450 1HG ARG 57 1HG ARG 57 2.687 10.730 -2.635 451 2HG ARG 57 2HG ARG 57 3.332 10.736 -0.999 452 1HD ARG 57 1HD ARG 57 2.759 13.016 -1.692 453 2HD ARG 57 2HD ARG 57 4.495 12.849 -1.443 454 HE ARG 57 HE ARG 57 3.875 12.381 -4.140 455 1HH1 ARG 57 1HH1 ARG 57 3.987 15.087 -1.813 456 2HH1 ARG 57 2HH1 ARG 57 4.340 16.243 -2.987 457 1HH2 ARG 57 1HH2 ARG 57 4.382 14.062 -5.764 458 2HH2 ARG 57 2HH2 ARG 57 4.571 15.665 -5.247 459 H ASP 58 H ASP 58 6.776 8.243 -1.474 460 HA ASP 58 HA ASP 58 8.306 7.809 -3.844 461 1HB ASP 58 1HB ASP 58 9.403 8.630 -1.853 462 2HB ASP 58 2HB ASP 58 8.945 7.186 -0.964 463 H CYS 59 H CYS 59 6.865 5.562 -1.453 464 HA CYS 59 HA CYS 59 7.969 3.328 -2.890 465 1HB CYS 59 1HB CYS 59 6.058 3.376 -0.609 466 2HB CYS 59 2HB CYS 59 6.739 1.947 -1.365 467 H VAL 60 H VAL 60 4.805 4.830 -2.680 468 HA VAL 60 HA VAL 60 3.414 2.770 -4.031 469 HB VAL 60 HB VAL 60 2.434 4.772 -2.720 470 1HG1 VAL 60 1HG1 VAL 60 3.606 6.568 -3.808 471 2HG1 VAL 60 2HG1 VAL 60 1.841 6.756 -4.011 472 3HG1 VAL 60 3HG1 VAL 60 2.829 6.111 -5.333 473 1HG2 VAL 60 1HG2 VAL 60 1.203 4.156 -5.395 474 2HG2 VAL 60 2HG2 VAL 60 0.381 4.921 -4.031 475 3HG2 VAL 60 3HG2 VAL 60 0.962 3.276 -3.887 476 H ARG 61 H ARG 61 5.590 5.232 -4.939 477 HA ARG 61 HA ARG 61 5.056 5.292 -7.761 478 1HB ARG 61 1HB ARG 61 5.888 7.211 -6.514 479 2HB ARG 61 2HB ARG 61 7.285 6.289 -6.008 480 1HG ARG 61 1HG ARG 61 8.026 7.684 -7.653 481 2HG ARG 61 2HG ARG 61 7.856 6.071 -8.374 482 1HD ARG 61 1HD ARG 61 5.799 8.271 -8.653 483 2HD ARG 61 2HD ARG 61 7.055 7.995 -9.848 484 HE ARG 61 HE ARG 61 5.954 5.645 -9.890 485 1HH1 ARG 61 1HH1 ARG 61 4.242 8.750 -9.516 486 2HH1 ARG 61 2HH1 ARG 61 2.880 8.267 -10.400 487 1HH2 ARG 61 1HH2 ARG 61 4.030 4.997 -11.156 488 2HH2 ARG 61 2HH2 ARG 61 2.772 6.113 -11.317 489 H SER 62 H SER 62 7.482 4.030 -5.491 490 HA SER 62 HA SER 62 9.226 2.878 -7.303 491 1HB SER 62 1HB SER 62 9.806 3.280 -4.938 492 2HB SER 62 2HB SER 62 8.661 2.045 -4.439 493 HG SER 62 HG SER 62 11.125 1.672 -4.922 494 H MET 63 H MET 63 6.416 1.440 -5.668 495 HA MET 63 HA MET 63 6.862 -1.177 -6.649 496 1HB MET 63 1HB MET 63 4.250 0.090 -5.828 497 2HB MET 63 2HB MET 63 4.506 -1.635 -6.055 498 1HG MET 63 1HG MET 63 5.815 0.122 -3.997 499 2HG MET 63 2HG MET 63 4.554 -1.076 -3.717 500 1HE MET 63 1HE MET 63 6.456 -4.432 -4.436 501 2HE MET 63 2HE MET 63 5.495 -3.497 -5.576 502 3HE MET 63 3HE MET 63 4.934 -3.705 -3.916 503 H ASP 64 H ASP 64 5.137 1.547 -7.929 504 HA ASP 64 HA ASP 64 4.053 0.232 -10.205 505 1HB ASP 64 1HB ASP 64 3.066 2.285 -9.412 506 2HB ASP 64 2HB ASP 64 4.601 3.127 -9.573 507 H ARG 65 H ARG 65 7.004 1.980 -9.505 508 HA ARG 65 HA ARG 65 8.156 2.104 -12.085 509 1HB ARG 65 1HB ARG 65 8.934 3.335 -10.048 510 2HB ARG 65 2HB ARG 65 9.526 1.816 -9.407 511 1HG ARG 65 1HG ARG 65 11.042 1.669 -11.401 512 2HG ARG 65 2HG ARG 65 10.542 3.312 -11.810 513 1HD ARG 65 1HD ARG 65 11.894 2.416 -9.271 514 2HD ARG 65 2HD ARG 65 12.609 3.379 -10.560 515 HE ARG 65 HE ARG 65 10.740 5.019 -9.945 516 1HH1 ARG 65 1HH1 ARG 65 12.458 2.953 -7.607 517 2HH1 ARG 65 2HH1 ARG 65 12.300 4.052 -6.315 518 1HH2 ARG 65 1HH2 ARG 65 10.551 6.522 -8.110 519 2HH2 ARG 65 2HH2 ARG 65 11.200 6.109 -6.600 520 H LYS 66 H LYS 66 8.235 -0.292 -9.512 521 HA LYS 66 HA LYS 66 9.986 -2.188 -10.716 522 1HB LYS 66 1HB LYS 66 7.779 -2.609 -8.692 523 2HB LYS 66 2HB LYS 66 9.011 -3.781 -9.103 524 1HG LYS 66 1HG LYS 66 10.717 -2.378 -8.147 525 2HG LYS 66 2HG LYS 66 9.538 -1.093 -7.860 526 1HD LYS 66 1HD LYS 66 8.284 -2.607 -6.360 527 2HD LYS 66 2HD LYS 66 9.500 -3.848 -6.637 528 1HE LYS 66 1HE LYS 66 10.066 -1.140 -5.430 529 2HE LYS 66 2HE LYS 66 9.787 -2.613 -4.503 530 1HZ LYS 66 1HZ LYS 66 11.980 -2.212 -6.462 531 2HZ LYS 66 2HZ LYS 66 11.734 -3.593 -5.528 532 3HZ LYS 66 3HZ LYS 66 12.138 -2.141 -4.792 533 H SER 67 H SER 67 6.734 -1.298 -11.214 534 HA SER 67 HA SER 67 5.032 -2.018 -12.488 535 1HB SER 67 1HB SER 67 6.877 -2.162 -14.233 536 2HB SER 67 2HB SER 67 7.076 -3.860 -13.805 537 HG SER 67 HG SER 67 4.545 -2.895 -14.511 538 H ASN 68 H ASN 68 5.818 -3.231 -9.996 539 HA ASN 68 HA ASN 68 5.127 -6.056 -10.160 540 1HB ASN 68 1HB ASN 68 6.978 -5.200 -8.691 541 2HB ASN 68 2HB ASN 68 5.785 -4.321 -7.756 542 1HD2 ASN 68 1HD2 ASN 68 5.255 -7.590 -9.003 543 2HD2 ASN 68 2HD2 ASN 68 5.289 -8.335 -7.459 544 H THR 69 H THR 69 3.477 -3.370 -10.359 545 HA THR 69 HA THR 69 1.045 -4.540 -9.648 546 HB THR 69 HB THR 69 1.650 -3.632 -7.458 547 HG1 THR 69 HG1 THR 69 -0.551 -3.486 -8.221 548 1HG2 THR 69 1HG2 THR 69 1.790 -1.029 -8.910 549 2HG2 THR 69 2HG2 THR 69 3.152 -1.938 -8.248 550 3HG2 THR 69 3HG2 THR 69 1.954 -1.208 -7.148 551 H ARG 70 H ARG 70 -0.708 -3.017 -10.434 552 HA ARG 70 HA ARG 70 0.421 -1.267 -12.424 553 1HB ARG 70 1HB ARG 70 -1.611 -1.765 -13.891 554 2HB ARG 70 2HB ARG 70 -0.417 -3.033 -13.723 555 1HG ARG 70 1HG ARG 70 -2.603 -4.016 -13.708 556 2HG ARG 70 2HG ARG 70 -1.929 -4.165 -12.093 557 1HD ARG 70 1HD ARG 70 -4.263 -3.547 -11.974 558 2HD ARG 70 2HD ARG 70 -3.264 -2.213 -11.403 559 HE ARG 70 HE ARG 70 -4.027 -2.142 -14.191 560 1HH1 ARG 70 1HH1 ARG 70 -4.659 -1.006 -10.929 561 2HH1 ARG 70 2HH1 ARG 70 -5.682 0.275 -11.382 562 1HH2 ARG 70 1HH2 ARG 70 -5.455 -0.345 -14.875 563 2HH2 ARG 70 2HH2 ARG 70 -6.133 0.661 -13.686 564 H ASN 71 H ASN 71 -0.033 0.689 -12.447 565 HA ASN 71 HA ASN 71 -2.353 1.710 -10.933 566 1HB ASN 71 1HB ASN 71 -0.176 2.498 -10.040 567 2HB ASN 71 2HB ASN 71 0.257 3.105 -11.633 568 1HD2 ASN 71 1HD2 ASN 71 -1.602 3.649 -8.779 569 2HD2 ASN 71 2HD2 ASN 71 -2.128 5.251 -9.177 570 H ASN 72 H ASN 72 -0.386 1.846 -13.824 571 HA ASN 72 HA ASN 72 -0.792 2.281 -15.974 572 1HB ASN 72 1HB ASN 72 -3.675 2.293 -15.096 573 2HB ASN 72 2HB ASN 72 -3.174 2.474 -16.771 574 1HD2 ASN 72 1HD2 ASN 72 -4.261 0.602 -17.313 575 2HD2 ASN 72 2HD2 ASN 72 -3.667 -0.962 -16.915 576 H MET 73 H MET 73 -0.899 4.439 -13.684 577 HA MET 73 HA MET 73 -0.893 6.671 -13.478 578 1HB MET 73 1HB MET 73 0.661 6.500 -15.454 579 2HB MET 73 2HB MET 73 -0.721 6.684 -16.517 580 1HG MET 73 1HG MET 73 -1.110 8.932 -15.576 581 2HG MET 73 2HG MET 73 0.316 8.734 -14.566 582 1HE MET 73 1HE MET 73 -0.114 11.211 -16.482 583 2HE MET 73 2HE MET 73 1.483 11.363 -17.207 584 3HE MET 73 3HE MET 73 1.327 10.986 -15.490 585 H ILE 74 H ILE 74 -3.338 5.046 -14.163 586 HA ILE 74 HA ILE 74 -5.516 5.195 -14.504 587 HB ILE 74 HB ILE 74 -5.154 8.108 -13.685 588 1HG1 ILE 74 1HG1 ILE 74 -5.987 5.659 -12.107 589 2HG1 ILE 74 2HG1 ILE 74 -4.431 6.469 -11.995 590 1HG2 ILE 74 1HG2 ILE 74 -7.568 8.085 -13.170 591 2HG2 ILE 74 2HG2 ILE 74 -7.686 6.457 -13.841 592 3HG2 ILE 74 3HG2 ILE 74 -7.261 7.814 -14.888 593 1HD1 ILE 74 1HD1 ILE 74 -7.099 7.643 -11.251 594 2HD1 ILE 74 2HD1 ILE 74 -5.534 8.451 -11.099 595 3HD1 ILE 74 3HD1 ILE 74 -5.890 7.021 -10.131 596 H GLN 75 H GLN 75 -5.558 4.665 -16.568 597 HA GLN 75 HA GLN 75 -5.277 6.745 -18.484 598 1HB GLN 75 1HB GLN 75 -5.380 4.898 -20.244 599 2HB GLN 75 2HB GLN 75 -4.010 4.875 -19.160 600 1HG GLN 75 1HG GLN 75 -4.615 2.638 -19.402 601 2HG GLN 75 2HG GLN 75 -5.313 3.087 -17.857 602 1HE2 GLN 75 1HE2 GLN 75 -6.858 1.472 -17.915 603 2HE2 GLN 75 2HE2 GLN 75 -8.182 1.493 -19.018 Start of MODEL 8 1 1H GLY 2 1H GLY 2 -4.250 -11.786 14.180 2 1HA GLY 2 1HA GLY 2 -3.671 -13.506 12.575 3 2HA GLY 2 2HA GLY 2 -3.261 -14.544 13.935 4 H SER 3 H SER 3 -6.043 -12.530 14.198 5 HA SER 3 HA SER 3 -7.739 -14.883 14.137 6 1HB SER 3 1HB SER 3 -8.305 -12.038 15.006 7 2HB SER 3 2HB SER 3 -9.369 -13.424 15.235 8 HG SER 3 HG SER 3 -8.151 -12.879 17.075 9 H GLU 4 H GLU 4 -9.684 -14.829 12.870 10 HA GLU 4 HA GLU 4 -9.401 -13.488 10.368 11 1HB GLU 4 1HB GLU 4 -10.419 -15.746 10.502 12 2HB GLU 4 2HB GLU 4 -11.727 -15.084 11.468 13 1HG GLU 4 1HG GLU 4 -12.416 -13.684 9.593 14 2HG GLU 4 2HG GLU 4 -11.100 -14.339 8.622 15 H VAL 5 H VAL 5 -9.819 -11.431 10.248 16 HA VAL 5 HA VAL 5 -11.837 -10.311 12.007 17 HB VAL 5 HB VAL 5 -10.877 -8.087 11.419 18 1HG1 VAL 5 1HG1 VAL 5 -8.789 -8.350 12.688 19 2HG1 VAL 5 2HG1 VAL 5 -8.889 -10.097 12.473 20 3HG1 VAL 5 3HG1 VAL 5 -10.122 -9.251 13.415 21 1HG2 VAL 5 1HG2 VAL 5 -8.709 -7.974 10.257 22 2HG2 VAL 5 2HG2 VAL 5 -9.961 -8.646 9.205 23 3HG2 VAL 5 3HG2 VAL 5 -8.781 -9.711 9.962 24 H SER 6 H SER 6 -13.556 -9.136 11.269 25 HA SER 6 HA SER 6 -14.363 -9.654 8.572 26 1HB SER 6 1HB SER 6 -15.650 -7.970 10.748 27 2HB SER 6 2HB SER 6 -16.431 -8.480 9.248 28 HG SER 6 HG SER 6 -15.300 -10.491 10.789 29 H ASP 7 H ASP 7 -13.010 -8.563 7.237 30 HA ASP 7 HA ASP 7 -12.938 -5.652 7.417 31 1HB ASP 7 1HB ASP 7 -10.989 -6.456 8.661 32 2HB ASP 7 2HB ASP 7 -10.527 -7.473 7.309 33 H LYS 8 H LYS 8 -12.621 -4.670 5.436 34 HA LYS 8 HA LYS 8 -12.978 -6.381 3.063 35 1HB LYS 8 1HB LYS 8 -13.473 -3.427 3.493 36 2HB LYS 8 2HB LYS 8 -13.777 -4.301 2.001 37 1HG LYS 8 1HG LYS 8 -15.489 -5.626 3.133 38 2HG LYS 8 2HG LYS 8 -15.185 -4.733 4.628 39 1HD LYS 8 1HD LYS 8 -16.070 -3.517 2.023 40 2HD LYS 8 2HD LYS 8 -17.166 -3.893 3.361 41 1HE LYS 8 1HE LYS 8 -15.830 -2.323 4.781 42 2HE LYS 8 2HE LYS 8 -14.862 -1.928 3.370 43 1HZ LYS 8 1HZ LYS 8 -17.790 -1.462 3.598 44 2HZ LYS 8 2HZ LYS 8 -16.844 -1.016 2.288 45 3HZ LYS 8 3HZ LYS 8 -16.618 -0.292 3.783 46 H ARG 9 H ARG 9 -12.128 -4.506 1.159 47 HA ARG 9 HA ARG 9 -9.405 -4.081 2.052 48 1HB ARG 9 1HB ARG 9 -9.471 -5.662 0.157 49 2HB ARG 9 2HB ARG 9 -10.273 -4.444 -0.828 50 1HG ARG 9 1HG ARG 9 -8.339 -3.012 -0.726 51 2HG ARG 9 2HG ARG 9 -7.536 -4.118 0.382 52 1HD ARG 9 1HD ARG 9 -6.686 -4.360 -1.870 53 2HD ARG 9 2HD ARG 9 -7.511 -5.833 -1.351 54 HE ARG 9 HE ARG 9 -9.322 -4.210 -2.739 55 1HH1 ARG 9 1HH1 ARG 9 -6.414 -6.112 -3.361 56 2HH1 ARG 9 2HH1 ARG 9 -6.808 -6.470 -4.973 57 1HH2 ARG 9 1HH2 ARG 9 -9.882 -4.658 -4.897 58 2HH2 ARG 9 2HH2 ARG 9 -8.884 -5.611 -5.895 59 H THR 10 H THR 10 -10.146 -2.273 3.079 60 HA THR 10 HA THR 10 -9.716 0.066 1.578 61 HB THR 10 HB THR 10 -12.235 -0.345 1.230 62 HG1 THR 10 HG1 THR 10 -12.291 1.765 1.166 63 1HG2 THR 10 1HG2 THR 10 -12.225 0.205 4.182 64 2HG2 THR 10 2HG2 THR 10 -12.686 -1.338 3.445 65 3HG2 THR 10 3HG2 THR 10 -13.689 0.108 3.196 66 H CYS 11 H CYS 11 -10.112 1.910 3.318 67 HA CYS 11 HA CYS 11 -9.526 0.924 5.985 68 1HB CYS 11 1HB CYS 11 -7.861 2.838 4.429 69 2HB CYS 11 2HB CYS 11 -7.661 2.531 6.166 70 H VAL 12 H VAL 12 -10.124 2.331 7.575 71 HA VAL 12 HA VAL 12 -11.885 4.503 6.723 72 HB VAL 12 HB VAL 12 -11.468 3.346 9.500 73 1HG1 VAL 12 1HG1 VAL 12 -12.327 5.616 9.561 74 2HG1 VAL 12 2HG1 VAL 12 -13.575 4.477 10.066 75 3HG1 VAL 12 3HG1 VAL 12 -13.623 5.180 8.448 76 1HG2 VAL 12 1HG2 VAL 12 -13.610 2.182 9.163 77 2HG2 VAL 12 2HG2 VAL 12 -12.395 1.656 7.996 78 3HG2 VAL 12 3HG2 VAL 12 -13.664 2.777 7.504 79 H SER 13 H SER 13 -9.078 3.858 8.770 80 HA SER 13 HA SER 13 -8.581 6.748 8.888 81 1HB SER 13 1HB SER 13 -7.759 4.636 10.878 82 2HB SER 13 2HB SER 13 -7.579 6.394 11.023 83 HG SER 13 HG SER 13 -9.813 4.787 11.329 84 H LEU 14 H LEU 14 -6.222 7.299 8.928 85 HA LEU 14 HA LEU 14 -4.648 5.252 7.549 86 1HB LEU 14 1HB LEU 14 -4.543 8.240 7.153 87 2HB LEU 14 2HB LEU 14 -3.562 7.052 6.319 88 HG LEU 14 HG LEU 14 -6.548 7.330 6.094 89 1HD1 LEU 14 1HD1 LEU 14 -4.370 7.937 4.125 90 2HD1 LEU 14 2HD1 LEU 14 -5.339 9.136 4.982 91 3HD1 LEU 14 3HD1 LEU 14 -6.099 8.058 3.806 92 1HD2 LEU 14 1HD2 LEU 14 -4.647 5.476 4.664 93 2HD2 LEU 14 2HD2 LEU 14 -6.370 5.671 4.322 94 3HD2 LEU 14 3HD2 LEU 14 -5.854 5.022 5.872 95 H THR 15 H THR 15 -2.408 5.254 7.962 96 HA THR 15 HA THR 15 -1.885 5.946 10.706 97 HB THR 15 HB THR 15 -1.236 3.683 9.749 98 HG1 THR 15 HG1 THR 15 0.149 3.668 11.276 99 1HG2 THR 15 1HG2 THR 15 0.846 3.536 8.447 100 2HG2 THR 15 2HG2 THR 15 0.930 5.297 8.382 101 3HG2 THR 15 3HG2 THR 15 -0.381 4.445 7.566 102 H THR 16 H THR 16 0.099 6.936 11.296 103 HA THR 16 HA THR 16 1.164 8.821 9.322 104 HB THR 16 HB THR 16 -0.182 9.953 11.104 105 HG1 THR 16 HG1 THR 16 2.021 10.714 10.240 106 1HG2 THR 16 1HG2 THR 16 1.869 8.804 12.995 107 2HG2 THR 16 2HG2 THR 16 0.177 8.320 12.895 108 3HG2 THR 16 3HG2 THR 16 0.598 9.944 13.431 109 H GLN 17 H GLN 17 1.718 6.003 10.671 110 HA GLN 17 HA GLN 17 4.456 6.415 11.576 111 1HB GLN 17 1HB GLN 17 2.725 3.939 11.493 112 2HB GLN 17 2HB GLN 17 4.351 4.011 12.153 113 1HG GLN 17 1HG GLN 17 1.940 5.479 13.189 114 2HG GLN 17 2HG GLN 17 2.685 4.054 13.914 115 1HE2 GLN 17 1HE2 GLN 17 2.939 7.458 13.395 116 2HE2 GLN 17 2HE2 GLN 17 4.230 7.740 14.497 117 H ARG 18 H ARG 18 6.195 5.534 10.449 118 HA ARG 18 HA ARG 18 5.533 4.903 7.685 119 1HB ARG 18 1HB ARG 18 8.182 5.616 8.877 120 2HB ARG 18 2HB ARG 18 7.841 5.352 7.178 121 1HG ARG 18 1HG ARG 18 6.204 7.256 7.354 122 2HG ARG 18 2HG ARG 18 6.929 7.591 8.933 123 1HD ARG 18 1HD ARG 18 8.306 7.372 6.334 124 2HD ARG 18 2HD ARG 18 7.958 8.902 7.155 125 HE ARG 18 HE ARG 18 9.401 7.259 8.907 126 1HH1 ARG 18 1HH1 ARG 18 10.068 9.030 5.910 127 2HH1 ARG 18 2HH1 ARG 18 11.736 9.186 6.238 128 1HH2 ARG 18 1HH2 ARG 18 11.660 7.511 9.331 129 2HH2 ARG 18 2HH2 ARG 18 12.655 8.317 8.211 130 H LEU 19 H LEU 19 6.559 3.200 6.648 131 HA LEU 19 HA LEU 19 7.742 1.152 8.364 132 1HB LEU 19 1HB LEU 19 5.901 0.797 5.981 133 2HB LEU 19 2HB LEU 19 6.863 -0.498 6.643 134 HG LEU 19 HG LEU 19 5.601 -0.226 8.779 135 1HD1 LEU 19 1HD1 LEU 19 3.424 0.890 8.742 136 2HD1 LEU 19 2HD1 LEU 19 3.774 1.500 7.128 137 3HD1 LEU 19 3HD1 LEU 19 4.745 2.037 8.498 138 1HD2 LEU 19 1HD2 LEU 19 3.633 -1.408 7.997 139 2HD2 LEU 19 2HD2 LEU 19 5.112 -1.998 7.233 140 3HD2 LEU 19 3HD2 LEU 19 4.013 -0.946 6.337 141 HA PRO 20 HA PRO 20 11.228 1.352 5.547 142 1HB PRO 20 1HB PRO 20 11.338 -1.580 5.569 143 2HB PRO 20 2HB PRO 20 12.538 -0.434 6.151 144 1HG PRO 20 1HG PRO 20 10.929 -2.025 7.728 145 2HG PRO 20 2HG PRO 20 11.777 -0.575 8.286 146 1HD PRO 20 1HD PRO 20 8.917 -1.006 7.814 147 2HD PRO 20 2HD PRO 20 9.725 0.300 8.695 148 H CYS 21 H CYS 21 11.297 1.238 3.303 149 HA CYS 21 HA CYS 21 8.864 0.517 2.048 150 1HB CYS 21 1HB CYS 21 10.599 2.333 1.257 151 2HB CYS 21 2HB CYS 21 11.395 0.958 0.480 152 H SER 22 H SER 22 11.715 -1.173 2.783 153 HA SER 22 HA SER 22 11.576 -3.222 0.842 154 1HB SER 22 1HB SER 22 13.617 -2.672 2.097 155 2HB SER 22 2HB SER 22 12.867 -3.216 3.590 156 HG SER 22 HG SER 22 14.289 -4.711 2.552 157 H ARG 23 H ARG 23 9.591 -2.539 3.580 158 HA ARG 23 HA ARG 23 8.782 -5.313 3.786 159 1HB ARG 23 1HB ARG 23 7.903 -2.901 5.382 160 2HB ARG 23 2HB ARG 23 7.207 -4.503 5.585 161 1HG ARG 23 1HG ARG 23 9.460 -5.353 6.163 162 2HG ARG 23 2HG ARG 23 10.063 -3.700 6.050 163 1HD ARG 23 1HD ARG 23 8.563 -3.014 7.854 164 2HD ARG 23 2HD ARG 23 7.908 -4.646 7.942 165 HE ARG 23 HE ARG 23 10.627 -4.887 8.238 166 1HH1 ARG 23 1HH1 ARG 23 8.034 -3.284 10.081 167 2HH1 ARG 23 2HH1 ARG 23 8.816 -3.516 11.578 168 1HH2 ARG 23 1HH2 ARG 23 11.649 -5.165 10.333 169 2HH2 ARG 23 2HH2 ARG 23 10.861 -4.582 11.726 170 H ILE 24 H ILE 24 8.048 -2.697 1.903 171 HA ILE 24 HA ILE 24 5.213 -3.000 1.636 172 HB ILE 24 HB ILE 24 7.206 -1.796 -0.330 173 1HG1 ILE 24 1HG1 ILE 24 7.101 -0.667 1.955 174 2HG1 ILE 24 2HG1 ILE 24 6.751 0.377 0.586 175 1HG2 ILE 24 1HG2 ILE 24 5.129 -2.459 -1.355 176 2HG2 ILE 24 2HG2 ILE 24 5.259 -0.693 -1.338 177 3HG2 ILE 24 3HG2 ILE 24 4.221 -1.532 -0.173 178 1HD1 ILE 24 1HD1 ILE 24 4.393 0.230 1.072 179 2HD1 ILE 24 2HD1 ILE 24 5.276 0.805 2.482 180 3HD1 ILE 24 3HD1 ILE 24 4.695 -0.867 2.426 181 H LYS 25 H LYS 25 4.162 -4.420 0.361 182 HA LYS 25 HA LYS 25 5.765 -6.115 -1.430 183 1HB LYS 25 1HB LYS 25 4.639 -7.119 0.556 184 2HB LYS 25 2HB LYS 25 3.107 -6.635 -0.118 185 1HG LYS 25 1HG LYS 25 4.986 -8.600 -1.468 186 2HG LYS 25 2HG LYS 25 3.651 -9.075 -0.431 187 1HD LYS 25 1HD LYS 25 2.083 -7.991 -1.993 188 2HD LYS 25 2HD LYS 25 3.441 -7.539 -3.026 189 1HE LYS 25 1HE LYS 25 2.311 -9.511 -3.860 190 2HE LYS 25 2HE LYS 25 3.956 -9.917 -3.350 191 1HZ LYS 25 1HZ LYS 25 2.369 -11.571 -2.603 192 2HZ LYS 25 2HZ LYS 25 1.451 -10.410 -1.835 193 3HZ LYS 25 3HZ LYS 25 2.990 -10.769 -1.260 194 H THR 26 H THR 26 2.588 -4.583 -0.993 195 HA THR 26 HA THR 26 2.513 -3.765 -3.736 196 HB THR 26 HB THR 26 1.566 -6.060 -3.890 197 HG1 THR 26 HG1 THR 26 0.533 -4.691 -5.291 198 1HG2 THR 26 1HG2 THR 26 0.825 -6.329 -1.593 199 2HG2 THR 26 2HG2 THR 26 -0.501 -6.654 -2.710 200 3HG2 THR 26 3HG2 THR 26 -0.436 -5.119 -1.839 201 H TYR 27 H TYR 27 0.537 -2.367 -4.006 202 HA TYR 27 HA TYR 27 -0.499 -1.449 -1.457 203 1HB TYR 27 1HB TYR 27 -0.337 0.911 -2.112 204 2HB TYR 27 2HB TYR 27 1.259 0.261 -2.185 205 HD1 TYR 27 HD1 TYR 27 2.492 0.376 -4.188 206 HD2 TYR 27 HD2 TYR 27 -1.662 1.167 -4.212 207 HE1 TYR 27 HE1 TYR 27 2.657 1.278 -6.501 208 HE2 TYR 27 HE2 TYR 27 -1.545 2.023 -6.445 209 HH TYR 27 HH TYR 27 1.202 1.648 -8.451 210 H THR 28 H THR 28 -2.480 -0.244 -1.788 211 HA THR 28 HA THR 28 -3.822 -0.738 -4.317 212 HB THR 28 HB THR 28 -5.066 -1.271 -1.624 213 HG1 THR 28 HG1 THR 28 -3.458 -2.784 -3.121 214 1HG2 THR 28 1HG2 THR 28 -6.062 -1.818 -4.434 215 2HG2 THR 28 2HG2 THR 28 -6.655 -0.561 -3.350 216 3HG2 THR 28 3HG2 THR 28 -6.910 -2.260 -2.950 217 H ILE 29 H ILE 29 -4.475 1.209 -4.932 218 HA ILE 29 HA ILE 29 -4.840 3.259 -2.880 219 HB ILE 29 HB ILE 29 -4.653 3.582 -5.897 220 1HG1 ILE 29 1HG1 ILE 29 -2.699 4.392 -3.703 221 2HG1 ILE 29 2HG1 ILE 29 -2.474 3.071 -4.825 222 1HG2 ILE 29 1HG2 ILE 29 -4.640 6.011 -5.488 223 2HG2 ILE 29 2HG2 ILE 29 -4.939 5.718 -3.777 224 3HG2 ILE 29 3HG2 ILE 29 -6.156 5.267 -4.971 225 1HD1 ILE 29 1HD1 ILE 29 -1.187 5.010 -5.474 226 2HD1 ILE 29 2HD1 ILE 29 -2.664 5.977 -5.536 227 3HD1 ILE 29 3HD1 ILE 29 -2.431 4.656 -6.679 228 H THR 30 H THR 30 -6.730 3.802 -2.249 229 HA THR 30 HA THR 30 -9.028 3.081 -3.902 230 HB THR 30 HB THR 30 -10.312 3.261 -1.749 231 HG1 THR 30 HG1 THR 30 -8.894 4.448 -0.498 232 1HG2 THR 30 1HG2 THR 30 -9.583 1.070 -0.864 233 2HG2 THR 30 2HG2 THR 30 -8.093 1.197 -1.794 234 3HG2 THR 30 3HG2 THR 30 -9.640 1.060 -2.626 235 H GLU 31 H GLU 31 -10.117 4.737 -4.745 236 HA GLU 31 HA GLU 31 -9.980 7.263 -3.343 237 1HB GLU 31 1HB GLU 31 -9.941 8.457 -5.544 238 2HB GLU 31 2HB GLU 31 -8.471 7.571 -5.182 239 1HG GLU 31 1HG GLU 31 -9.186 5.788 -6.691 240 2HG GLU 31 2HG GLU 31 -10.657 6.681 -7.063 241 H GLY 32 H GLY 32 -11.794 8.392 -3.216 242 1HA GLY 32 1HA GLY 32 -14.114 8.552 -4.374 243 2HA GLY 32 2HA GLY 32 -14.199 6.867 -3.865 244 H SER 33 H SER 33 -14.181 10.145 -2.841 245 HA SER 33 HA SER 33 -14.764 11.232 -0.999 246 1HB SER 33 1HB SER 33 -15.729 8.553 0.067 247 2HB SER 33 2HB SER 33 -16.100 10.126 0.783 248 HG SER 33 HG SER 33 -16.654 9.709 -1.933 249 H LEU 34 H LEU 34 -13.103 8.204 -0.265 250 HA LEU 34 HA LEU 34 -11.225 9.727 1.366 251 1HB LEU 34 1HB LEU 34 -12.796 8.320 2.751 252 2HB LEU 34 2HB LEU 34 -12.229 6.913 1.897 253 HG LEU 34 HG LEU 34 -11.350 7.129 4.204 254 1HD1 LEU 34 1HD1 LEU 34 -9.198 7.252 2.109 255 2HD1 LEU 34 2HD1 LEU 34 -10.067 5.811 2.646 256 3HD1 LEU 34 3HD1 LEU 34 -9.004 6.670 3.765 257 1HD2 LEU 34 1HD2 LEU 34 -11.180 9.541 4.344 258 2HD2 LEU 34 2HD2 LEU 34 -9.865 9.537 3.160 259 3HD2 LEU 34 3HD2 LEU 34 -9.642 8.776 4.734 260 H ARG 35 H ARG 35 -9.568 9.860 0.025 261 HA ARG 35 HA ARG 35 -8.767 7.557 -1.555 262 1HB ARG 35 1HB ARG 35 -8.872 9.623 -2.808 263 2HB ARG 35 2HB ARG 35 -7.885 10.449 -1.617 264 1HG ARG 35 1HG ARG 35 -5.935 9.205 -2.288 265 2HG ARG 35 2HG ARG 35 -6.902 8.190 -3.362 266 1HD ARG 35 1HD ARG 35 -7.380 10.044 -4.796 267 2HD ARG 35 2HD ARG 35 -6.672 11.182 -3.658 268 HE ARG 35 HE ARG 35 -4.517 10.104 -4.128 269 1HH1 ARG 35 1HH1 ARG 35 -7.071 9.810 -6.585 270 2HH1 ARG 35 2HH1 ARG 35 -5.984 9.677 -7.879 271 1HH2 ARG 35 1HH2 ARG 35 -3.044 9.998 -5.934 272 2HH2 ARG 35 2HH2 ARG 35 -3.626 9.804 -7.515 273 H ALA 36 H ALA 36 -7.282 6.251 -0.912 274 HA ALA 36 HA ALA 36 -5.233 7.122 0.975 275 1HB ALA 36 1HB ALA 36 -5.693 5.215 2.423 276 2HB ALA 36 2HB ALA 36 -7.101 4.814 1.438 277 3HB ALA 36 3HB ALA 36 -7.061 6.325 2.348 278 H VAL 37 H VAL 37 -3.465 5.570 1.115 279 HA VAL 37 HA VAL 37 -3.428 3.687 -1.119 280 HB VAL 37 HB VAL 37 -1.067 4.843 0.376 281 1HG1 VAL 37 1HG1 VAL 37 -0.648 2.715 -0.668 282 2HG1 VAL 37 2HG1 VAL 37 0.228 4.001 -1.501 283 3HG1 VAL 37 3HG1 VAL 37 -1.239 3.328 -2.214 284 1HG2 VAL 37 1HG2 VAL 37 -0.644 6.279 -1.547 285 2HG2 VAL 37 2HG2 VAL 37 -2.184 6.657 -0.784 286 3HG2 VAL 37 3HG2 VAL 37 -2.154 5.749 -2.301 287 H ILE 38 H ILE 38 -3.778 1.716 -0.356 288 HA ILE 38 HA ILE 38 -3.156 1.072 2.411 289 HB ILE 38 HB ILE 38 -4.481 -0.610 0.267 290 1HG1 ILE 38 1HG1 ILE 38 -5.722 1.049 2.463 291 2HG1 ILE 38 2HG1 ILE 38 -5.763 1.414 0.741 292 1HG2 ILE 38 1HG2 ILE 38 -3.524 -1.942 2.087 293 2HG2 ILE 38 2HG2 ILE 38 -5.289 -1.967 2.160 294 3HG2 ILE 38 3HG2 ILE 38 -4.378 -0.948 3.272 295 1HD1 ILE 38 1HD1 ILE 38 -7.060 -0.601 0.345 296 2HD1 ILE 38 2HD1 ILE 38 -7.829 0.473 1.527 297 3HD1 ILE 38 3HD1 ILE 38 -6.975 -0.978 2.072 298 H PHE 39 H PHE 39 -1.291 0.133 2.847 299 HA PHE 39 HA PHE 39 0.152 -1.137 0.656 300 1HB PHE 39 1HB PHE 39 1.150 0.052 3.208 301 2HB PHE 39 2HB PHE 39 2.124 -1.044 2.238 302 HD1 PHE 39 HD1 PHE 39 1.105 2.295 2.709 303 HD2 PHE 39 HD2 PHE 39 2.411 -0.502 -0.182 304 HE1 PHE 39 HE1 PHE 39 1.753 4.113 1.252 305 HE2 PHE 39 HE2 PHE 39 3.088 1.315 -1.673 306 HZ PHE 39 HZ PHE 39 2.766 3.586 -1.012 307 H ILE 40 H ILE 40 0.394 -3.154 0.589 308 HA ILE 40 HA ILE 40 -0.313 -4.608 2.997 309 HB ILE 40 HB ILE 40 0.139 -5.868 0.284 310 1HG1 ILE 40 1HG1 ILE 40 -1.605 -4.172 -0.032 311 2HG1 ILE 40 2HG1 ILE 40 -2.280 -5.780 -0.100 312 1HG2 ILE 40 1HG2 ILE 40 -1.401 -6.581 2.748 313 2HG2 ILE 40 2HG2 ILE 40 0.127 -7.311 2.248 314 3HG2 ILE 40 3HG2 ILE 40 -1.353 -7.587 1.297 315 1HD1 ILE 40 1HD1 ILE 40 -2.441 -3.909 2.278 316 2HD1 ILE 40 2HD1 ILE 40 -3.109 -5.534 2.214 317 3HD1 ILE 40 3HD1 ILE 40 -3.752 -4.277 1.157 318 H THR 41 H THR 41 1.218 -5.474 4.059 319 HA THR 41 HA THR 41 3.943 -5.133 3.239 320 HB THR 41 HB THR 41 4.418 -6.219 5.468 321 HG1 THR 41 HG1 THR 41 1.651 -5.891 5.931 322 1HG2 THR 41 1HG2 THR 41 4.289 -3.783 5.232 323 2HG2 THR 41 2HG2 THR 41 3.620 -4.288 6.782 324 3HG2 THR 41 3HG2 THR 41 2.543 -3.848 5.458 325 H LYS 42 H LYS 42 5.484 -6.918 3.300 326 HA LYS 42 HA LYS 42 4.672 -9.167 1.771 327 1HB LYS 42 1HB LYS 42 7.206 -8.732 3.373 328 2HB LYS 42 2HB LYS 42 6.978 -9.992 2.166 329 1HG LYS 42 1HG LYS 42 6.717 -8.337 0.427 330 2HG LYS 42 2HG LYS 42 6.825 -7.038 1.611 331 1HD LYS 42 1HD LYS 42 9.116 -7.731 2.144 332 2HD LYS 42 2HD LYS 42 8.992 -9.026 0.948 333 1HE LYS 42 1HE LYS 42 8.683 -7.393 -0.826 334 2HE LYS 42 2HE LYS 42 8.695 -6.088 0.349 335 1HZ LYS 42 1HZ LYS 42 10.830 -6.310 -0.742 336 2HZ LYS 42 2HZ LYS 42 10.982 -7.898 -0.190 337 3HZ LYS 42 3HZ LYS 42 10.941 -6.617 0.912 338 H ARG 43 H ARG 43 4.498 -8.471 5.003 339 HA ARG 43 HA ARG 43 4.516 -11.117 6.095 340 1HB ARG 43 1HB ARG 43 5.132 -9.120 7.412 341 2HB ARG 43 2HB ARG 43 3.505 -8.494 7.227 342 1HG ARG 43 1HG ARG 43 2.642 -10.396 8.491 343 2HG ARG 43 2HG ARG 43 4.286 -11.009 8.660 344 1HD ARG 43 1HD ARG 43 4.916 -8.992 9.887 345 2HD ARG 43 2HD ARG 43 3.276 -8.367 9.702 346 HE ARG 43 HE ARG 43 3.317 -10.938 10.886 347 1HH1 ARG 43 1HH1 ARG 43 3.763 -7.493 11.635 348 2HH1 ARG 43 2HH1 ARG 43 3.372 -7.648 13.274 349 1HH2 ARG 43 1HH2 ARG 43 2.751 -11.155 13.154 350 2HH2 ARG 43 2HH2 ARG 43 2.756 -9.773 14.148 351 H GLY 44 H GLY 44 2.273 -9.231 4.319 352 1HA GLY 44 1HA GLY 44 0.299 -10.120 3.413 353 2HA GLY 44 2HA GLY 44 0.227 -11.263 4.744 354 H LEU 45 H LEU 45 0.873 -8.206 5.927 355 HA LEU 45 HA LEU 45 -1.950 -7.918 6.768 356 1HB LEU 45 1HB LEU 45 0.545 -6.721 7.929 357 2HB LEU 45 2HB LEU 45 -1.085 -6.501 8.535 358 HG LEU 45 HG LEU 45 0.448 -9.076 8.467 359 1HD1 LEU 45 1HD1 LEU 45 -0.420 -7.306 10.727 360 2HD1 LEU 45 2HD1 LEU 45 1.237 -7.510 10.145 361 3HD1 LEU 45 3HD1 LEU 45 0.393 -8.864 10.914 362 1HD2 LEU 45 1HD2 LEU 45 -2.307 -8.483 9.535 363 2HD2 LEU 45 2HD2 LEU 45 -1.419 -9.988 9.769 364 3HD2 LEU 45 3HD2 LEU 45 -1.911 -9.501 8.149 365 H LYS 46 H LYS 46 -2.911 -6.063 6.879 366 HA LYS 46 HA LYS 46 -2.424 -4.346 4.581 367 1HB LYS 46 1HB LYS 46 -4.722 -4.734 6.455 368 2HB LYS 46 2HB LYS 46 -4.700 -3.534 5.179 369 1HG LYS 46 1HG LYS 46 -4.783 -5.125 3.521 370 2HG LYS 46 2HG LYS 46 -4.239 -6.421 4.606 371 1HD LYS 46 1HD LYS 46 -6.172 -6.463 5.736 372 2HD LYS 46 2HD LYS 46 -6.798 -4.930 5.088 373 1HE LYS 46 1HE LYS 46 -6.984 -5.982 2.914 374 2HE LYS 46 2HE LYS 46 -6.340 -7.500 3.571 375 1HZ LYS 46 1HZ LYS 46 -8.868 -6.192 4.487 376 2HZ LYS 46 2HZ LYS 46 -8.286 -7.668 4.991 377 3HZ LYS 46 3HZ LYS 46 -8.803 -7.478 3.401 378 H VAL 47 H VAL 47 -1.443 -2.528 4.867 379 HA VAL 47 HA VAL 47 -1.784 -1.079 7.393 380 HB VAL 47 HB VAL 47 0.433 -0.766 5.328 381 1HG1 VAL 47 1HG1 VAL 47 1.564 0.625 7.004 382 2HG1 VAL 47 2HG1 VAL 47 0.166 0.473 8.068 383 3HG1 VAL 47 3HG1 VAL 47 0.012 1.312 6.525 384 1HG2 VAL 47 1HG2 VAL 47 1.912 -1.813 6.968 385 2HG2 VAL 47 2HG2 VAL 47 0.604 -2.898 6.497 386 3HG2 VAL 47 3HG2 VAL 47 0.540 -2.060 8.049 387 H CYS 48 H CYS 48 -2.347 1.207 7.163 388 HA CYS 48 HA CYS 48 -3.383 1.835 4.466 389 1HB CYS 48 1HB CYS 48 -4.509 2.727 7.129 390 2HB CYS 48 2HB CYS 48 -5.228 2.924 5.537 391 H ALA 49 H ALA 49 -2.476 3.729 3.677 392 HA ALA 49 HA ALA 49 -1.242 5.516 5.615 393 1HB ALA 49 1HB ALA 49 0.087 4.478 3.128 394 2HB ALA 49 2HB ALA 49 0.440 3.956 4.773 395 3HB ALA 49 3HB ALA 49 0.769 5.620 4.287 396 H ASP 50 H ASP 50 -0.901 7.610 4.918 397 HA ASP 50 HA ASP 50 -2.917 8.629 3.142 398 1HB ASP 50 1HB ASP 50 -2.384 9.818 5.193 399 2HB ASP 50 2HB ASP 50 -0.709 9.993 4.681 400 HA PRO 51 HA PRO 51 -0.515 8.416 -0.542 401 1HB PRO 51 1HB PRO 51 -1.975 10.242 -1.999 402 2HB PRO 51 2HB PRO 51 -2.424 8.549 -1.781 403 1HG PRO 51 1HG PRO 51 -3.404 10.972 -0.345 404 2HG PRO 51 2HG PRO 51 -4.315 9.555 -0.890 405 1HD PRO 51 1HD PRO 51 -3.607 9.896 1.673 406 2HD PRO 51 2HD PRO 51 -3.662 8.285 0.919 407 H GLN 52 H GLN 52 -1.056 11.450 1.172 408 HA GLN 52 HA GLN 52 0.845 12.826 -0.468 409 1HB GLN 52 1HB GLN 52 -0.881 13.649 1.844 410 2HB GLN 52 2HB GLN 52 0.376 14.693 1.206 411 1HG GLN 52 1HG GLN 52 -1.833 15.287 0.377 412 2HG GLN 52 2HG GLN 52 -0.747 14.791 -0.920 413 1HE2 GLN 52 1HE2 GLN 52 -3.567 13.984 0.941 414 2HE2 GLN 52 2HE2 GLN 52 -4.176 12.784 -0.135 415 H ALA 53 H ALA 53 1.066 10.667 1.984 416 HA ALA 53 HA ALA 53 3.150 11.927 3.506 417 1HB ALA 53 1HB ALA 53 1.770 10.140 4.485 418 2HB ALA 53 2HB ALA 53 3.482 9.710 4.497 419 3HB ALA 53 3HB ALA 53 2.402 9.010 3.291 420 H THR 54 H THR 54 5.182 12.093 3.072 421 HA THR 54 HA THR 54 6.196 11.755 0.516 422 HB THR 54 HB THR 54 7.787 11.875 3.086 423 HG1 THR 54 HG1 THR 54 6.938 14.073 1.521 424 1HG2 THR 54 1HG2 THR 54 9.103 11.434 1.043 425 2HG2 THR 54 2HG2 THR 54 9.436 13.048 1.669 426 3HG2 THR 54 3HG2 THR 54 8.377 12.844 0.273 427 H TRP 55 H TRP 55 6.270 9.523 3.201 428 HA TRP 55 HA TRP 55 8.245 7.878 1.907 429 1HB TRP 55 1HB TRP 55 7.939 6.245 3.688 430 2HB TRP 55 2HB TRP 55 8.010 7.849 4.382 431 HD1 TRP 55 HD1 TRP 55 5.606 8.836 5.168 432 HE1 TRP 55 HE1 TRP 55 3.593 7.604 6.203 433 HE3 TRP 55 HE3 TRP 55 6.763 4.205 3.651 434 HZ2 TRP 55 HZ2 TRP 55 2.663 5.013 6.335 435 HZ3 TRP 55 HZ3 TRP 55 5.251 2.310 4.247 436 HH2 TRP 55 HH2 TRP 55 3.231 2.714 5.567 437 H VAL 56 H VAL 56 4.834 8.034 1.999 438 HA VAL 56 HA VAL 56 4.297 5.561 0.706 439 HB VAL 56 HB VAL 56 2.619 8.086 0.945 440 1HG1 VAL 56 1HG1 VAL 56 1.816 5.387 -0.106 441 2HG1 VAL 56 2HG1 VAL 56 1.855 6.917 -0.968 442 3HG1 VAL 56 3HG1 VAL 56 0.714 6.682 0.348 443 1HG2 VAL 56 1HG2 VAL 56 1.411 6.838 2.646 444 2HG2 VAL 56 2HG2 VAL 56 3.110 7.039 3.073 445 3HG2 VAL 56 3HG2 VAL 56 2.539 5.492 2.472 446 H ARG 57 H ARG 57 4.586 8.889 -0.314 447 HA ARG 57 HA ARG 57 3.979 8.567 -3.003 448 1HB ARG 57 1HB ARG 57 6.133 10.407 -1.947 449 2HB ARG 57 2HB ARG 57 5.255 10.580 -3.454 450 1HG ARG 57 1HG ARG 57 3.212 11.025 -2.201 451 2HG ARG 57 2HG ARG 57 4.105 10.845 -0.685 452 1HD ARG 57 1HD ARG 57 5.645 12.646 -1.485 453 2HD ARG 57 2HD ARG 57 4.538 12.919 -2.826 454 HE ARG 57 HE ARG 57 3.383 13.044 -0.183 455 1HH1 ARG 57 1HH1 ARG 57 4.719 14.881 -2.888 456 2HH1 ARG 57 2HH1 ARG 57 4.200 16.386 -2.292 457 1HH2 ARG 57 1HH2 ARG 57 2.691 15.064 0.613 458 2HH2 ARG 57 2HH2 ARG 57 2.998 16.506 -0.260 459 H ASP 58 H ASP 58 6.997 8.112 -1.297 460 HA ASP 58 HA ASP 58 8.585 7.570 -3.588 461 1HB ASP 58 1HB ASP 58 9.594 8.213 -1.474 462 2HB ASP 58 2HB ASP 58 8.988 6.751 -0.714 463 H CYS 59 H CYS 59 6.872 5.381 -1.322 464 HA CYS 59 HA CYS 59 7.892 3.069 -2.670 465 1HB CYS 59 1HB CYS 59 5.800 3.354 -0.587 466 2HB CYS 59 2HB CYS 59 6.426 1.842 -1.247 467 H VAL 60 H VAL 60 4.845 4.801 -2.619 468 HA VAL 60 HA VAL 60 3.394 2.803 -3.930 469 HB VAL 60 HB VAL 60 2.489 4.830 -2.648 470 1HG1 VAL 60 1HG1 VAL 60 3.682 6.598 -3.791 471 2HG1 VAL 60 2HG1 VAL 60 1.923 6.819 -3.991 472 3HG1 VAL 60 3HG1 VAL 60 2.891 6.112 -5.299 473 1HG2 VAL 60 1HG2 VAL 60 1.228 4.197 -5.308 474 2HG2 VAL 60 2HG2 VAL 60 0.422 4.979 -3.941 475 3HG2 VAL 60 3HG2 VAL 60 0.998 3.326 -3.793 476 H ARG 61 H ARG 61 5.621 5.161 -4.909 477 HA ARG 61 HA ARG 61 4.904 4.890 -7.735 478 1HB ARG 61 1HB ARG 61 7.070 6.589 -6.485 479 2HB ARG 61 2HB ARG 61 6.741 6.531 -8.212 480 1HG ARG 61 1HG ARG 61 4.824 7.471 -6.074 481 2HG ARG 61 2HG ARG 61 5.759 8.502 -7.152 482 1HD ARG 61 1HD ARG 61 3.669 6.500 -8.030 483 2HD ARG 61 2HD ARG 61 3.412 8.231 -7.867 484 HE ARG 61 HE ARG 61 5.569 7.975 -9.516 485 1HH1 ARG 61 1HH1 ARG 61 2.226 6.804 -9.632 486 2HH1 ARG 61 2HH1 ARG 61 2.145 6.875 -11.339 487 1HH2 ARG 61 1HH2 ARG 61 5.396 8.097 -11.836 488 2HH2 ARG 61 2HH2 ARG 61 3.931 7.635 -12.595 489 H SER 62 H SER 62 7.453 3.955 -5.545 490 HA SER 62 HA SER 62 9.135 2.758 -7.412 491 1HB SER 62 1HB SER 62 8.695 2.182 -4.449 492 2HB SER 62 2HB SER 62 9.984 1.425 -5.394 493 HG SER 62 HG SER 62 9.550 4.192 -4.917 494 H MET 63 H MET 63 6.360 1.434 -5.650 495 HA MET 63 HA MET 63 6.516 -1.103 -6.981 496 1HB MET 63 1HB MET 63 4.320 0.100 -5.303 497 2HB MET 63 2HB MET 63 4.285 -1.540 -5.948 498 1HG MET 63 1HG MET 63 6.316 -0.427 -4.033 499 2HG MET 63 2HG MET 63 4.993 -1.529 -3.645 500 1HE MET 63 1HE MET 63 8.235 -3.752 -3.306 501 2HE MET 63 2HE MET 63 6.802 -3.149 -2.482 502 3HE MET 63 3HE MET 63 8.096 -2.035 -2.932 503 H ASP 64 H ASP 64 4.886 1.882 -7.557 504 HA ASP 64 HA ASP 64 2.935 1.218 -9.442 505 1HB ASP 64 1HB ASP 64 3.158 3.471 -8.549 506 2HB ASP 64 2HB ASP 64 4.748 3.619 -9.281 507 H ARG 65 H ARG 65 6.335 1.899 -9.876 508 HA ARG 65 HA ARG 65 6.493 1.679 -12.650 509 1HB ARG 65 1HB ARG 65 8.573 1.037 -10.569 510 2HB ARG 65 2HB ARG 65 8.889 1.207 -12.292 511 1HG ARG 65 1HG ARG 65 8.187 3.506 -12.233 512 2HG ARG 65 2HG ARG 65 7.762 3.355 -10.527 513 1HD ARG 65 1HD ARG 65 9.926 4.441 -10.825 514 2HD ARG 65 2HD ARG 65 10.080 2.904 -9.974 515 HE ARG 65 HE ARG 65 10.501 2.276 -12.581 516 1HH1 ARG 65 1HH1 ARG 65 11.939 4.600 -10.356 517 2HH1 ARG 65 2HH1 ARG 65 13.479 4.577 -11.077 518 1HH2 ARG 65 1HH2 ARG 65 12.665 2.204 -13.590 519 2HH2 ARG 65 2HH2 ARG 65 13.891 3.173 -12.950 520 H LYS 66 H LYS 66 6.517 -0.819 -10.189 521 HA LYS 66 HA LYS 66 7.205 -2.944 -12.023 522 1HB LYS 66 1HB LYS 66 6.007 -3.089 -9.259 523 2HB LYS 66 2HB LYS 66 6.586 -4.458 -10.180 524 1HG LYS 66 1HG LYS 66 8.867 -3.491 -10.082 525 2HG LYS 66 2HG LYS 66 8.223 -2.198 -9.060 526 1HD LYS 66 1HD LYS 66 7.452 -3.841 -7.432 527 2HD LYS 66 2HD LYS 66 8.054 -5.145 -8.445 528 1HE LYS 66 1HE LYS 66 10.333 -4.251 -8.171 529 2HE LYS 66 2HE LYS 66 9.692 -3.005 -7.094 530 1HZ LYS 66 1HZ LYS 66 10.570 -4.880 -5.837 531 2HZ LYS 66 2HZ LYS 66 9.550 -5.935 -6.641 532 3HZ LYS 66 3HZ LYS 66 8.901 -4.783 -5.612 533 H SER 67 H SER 67 4.295 -1.619 -10.609 534 HA SER 67 HA SER 67 2.609 -3.767 -11.533 535 1HB SER 67 1HB SER 67 1.846 -1.120 -10.289 536 2HB SER 67 2HB SER 67 0.851 -2.575 -10.393 537 HG SER 67 HG SER 67 3.187 -2.124 -8.886 538 H ASN 68 H ASN 68 2.390 -3.791 -13.758 539 HA ASN 68 HA ASN 68 2.072 -1.259 -15.112 540 1HB ASN 68 1HB ASN 68 3.513 -2.995 -16.154 541 2HB ASN 68 2HB ASN 68 2.094 -4.024 -16.338 542 1HD2 ASN 68 1HD2 ASN 68 3.719 -1.185 -17.426 543 2HD2 ASN 68 2HD2 ASN 68 2.837 -0.959 -18.885 544 H THR 69 H THR 69 0.252 -0.843 -13.919 545 HA THR 69 HA THR 69 -2.019 -0.788 -15.420 546 HB THR 69 HB THR 69 -2.475 -3.082 -14.824 547 HG1 THR 69 HG1 THR 69 -4.244 -2.147 -13.010 548 1HG2 THR 69 1HG2 THR 69 -2.195 -2.225 -11.975 549 2HG2 THR 69 2HG2 THR 69 -1.057 -3.208 -12.898 550 3HG2 THR 69 3HG2 THR 69 -2.673 -3.860 -12.502 551 H ARG 70 H ARG 70 -2.021 1.318 -15.036 552 HA ARG 70 HA ARG 70 -2.501 2.294 -12.366 553 1HB ARG 70 1HB ARG 70 -0.465 3.813 -12.508 554 2HB ARG 70 2HB ARG 70 -0.151 2.113 -12.176 555 1HG ARG 70 1HG ARG 70 0.384 1.758 -14.553 556 2HG ARG 70 2HG ARG 70 0.119 3.469 -14.860 557 1HD ARG 70 1HD ARG 70 1.968 4.028 -13.387 558 2HD ARG 70 2HD ARG 70 2.193 2.322 -12.998 559 HE ARG 70 HE ARG 70 2.301 2.568 -15.754 560 1HH1 ARG 70 1HH1 ARG 70 4.223 3.686 -13.003 561 2HH1 ARG 70 2HH1 ARG 70 5.692 3.653 -13.849 562 1HH2 ARG 70 1HH2 ARG 70 4.356 2.501 -16.899 563 2HH2 ARG 70 2HH2 ARG 70 5.767 2.952 -16.072 564 H ASN 71 H ASN 71 -4.288 3.402 -12.960 565 HA ASN 71 HA ASN 71 -4.097 5.194 -15.251 566 1HB ASN 71 1HB ASN 71 -6.123 3.751 -15.097 567 2HB ASN 71 2HB ASN 71 -6.529 4.510 -13.566 568 1HD2 ASN 71 1HD2 ASN 71 -5.237 6.151 -16.426 569 2HD2 ASN 71 2HD2 ASN 71 -6.630 7.110 -16.713 570 H ASN 72 H ASN 72 -2.877 6.850 -14.502 571 HA ASN 72 HA ASN 72 -3.907 8.264 -12.149 572 1HB ASN 72 1HB ASN 72 -1.195 8.522 -13.488 573 2HB ASN 72 2HB ASN 72 -1.721 9.409 -12.065 574 1HD2 ASN 72 1HD2 ASN 72 -1.847 8.322 -10.072 575 2HD2 ASN 72 2HD2 ASN 72 -1.110 6.769 -9.861 576 H MET 73 H MET 73 -5.485 9.466 -13.008 577 HA MET 73 HA MET 73 -4.984 10.869 -15.491 578 1HB MET 73 1HB MET 73 -7.187 9.680 -14.934 579 2HB MET 73 2HB MET 73 -7.475 10.947 -13.762 580 1HG MET 73 1HG MET 73 -7.170 11.361 -16.737 581 2HG MET 73 2HG MET 73 -8.700 11.245 -15.892 582 1HE MET 73 1HE MET 73 -9.511 13.485 -17.002 583 2HE MET 73 2HE MET 73 -7.989 13.575 -17.889 584 3HE MET 73 3HE MET 73 -8.571 14.978 -16.990 585 H ILE 74 H ILE 74 -3.501 12.366 -15.001 586 HA ILE 74 HA ILE 74 -3.982 14.155 -12.765 587 HB ILE 74 HB ILE 74 -1.548 13.908 -14.567 588 1HG1 ILE 74 1HG1 ILE 74 -1.978 12.981 -11.712 589 2HG1 ILE 74 2HG1 ILE 74 -1.916 11.929 -13.120 590 1HG2 ILE 74 1HG2 ILE 74 -1.942 15.505 -12.026 591 2HG2 ILE 74 2HG2 ILE 74 -1.792 16.171 -13.651 592 3HG2 ILE 74 3HG2 ILE 74 -0.422 15.344 -12.909 593 1HD1 ILE 74 1HD1 ILE 74 0.418 12.570 -13.480 594 2HD1 ILE 74 2HD1 ILE 74 0.168 11.883 -11.875 595 3HD1 ILE 74 3HD1 ILE 74 0.340 13.628 -12.071 596 H GLN 75 H GLN 75 -5.126 15.865 -13.201 597 HA GLN 75 HA GLN 75 -4.592 17.429 -15.562 598 1HB GLN 75 1HB GLN 75 -6.359 15.880 -16.288 599 2HB GLN 75 2HB GLN 75 -7.342 16.340 -14.914 600 1HG GLN 75 1HG GLN 75 -8.173 17.418 -16.897 601 2HG GLN 75 2HG GLN 75 -7.489 18.628 -15.825 602 1HE2 GLN 75 1HE2 GLN 75 -7.994 18.707 -18.665 603 2HE2 GLN 75 2HE2 GLN 75 -6.502 19.076 -19.428 Start of MODEL 9 1 1H GLY 2 1H GLY 2 -10.620 -13.479 13.528 2 1HA GLY 2 1HA GLY 2 -10.205 -14.451 11.503 3 2HA GLY 2 2HA GLY 2 -11.684 -15.344 11.798 4 H SER 3 H SER 3 -11.094 -11.932 11.153 5 HA SER 3 HA SER 3 -13.195 -12.110 9.156 6 1HB SER 3 1HB SER 3 -12.128 -9.686 10.598 7 2HB SER 3 2HB SER 3 -13.476 -9.712 9.460 8 HG SER 3 HG SER 3 -14.257 -11.448 11.001 9 H GLU 4 H GLU 4 -12.030 -12.810 7.454 10 HA GLU 4 HA GLU 4 -10.539 -10.717 6.204 11 1HB GLU 4 1HB GLU 4 -9.426 -13.375 6.792 12 2HB GLU 4 2HB GLU 4 -9.104 -12.726 5.187 13 1HG GLU 4 1HG GLU 4 -8.533 -11.301 7.774 14 2HG GLU 4 2HG GLU 4 -7.336 -12.152 6.785 15 H VAL 5 H VAL 5 -11.674 -10.120 4.741 16 HA VAL 5 HA VAL 5 -12.425 -11.982 2.640 17 HB VAL 5 HB VAL 5 -14.502 -10.660 2.221 18 1HG1 VAL 5 1HG1 VAL 5 -14.718 -12.684 3.551 19 2HG1 VAL 5 2HG1 VAL 5 -15.855 -11.457 4.103 20 3HG1 VAL 5 3HG1 VAL 5 -14.382 -11.771 5.020 21 1HG2 VAL 5 1HG2 VAL 5 -13.806 -8.541 3.212 22 2HG2 VAL 5 2HG2 VAL 5 -13.841 -9.271 4.820 23 3HG2 VAL 5 3HG2 VAL 5 -15.336 -9.083 3.907 24 H SER 6 H SER 6 -12.846 -10.572 0.615 25 HA SER 6 HA SER 6 -10.690 -8.616 0.536 26 1HB SER 6 1HB SER 6 -12.184 -9.982 -1.715 27 2HB SER 6 2HB SER 6 -10.780 -8.929 -1.894 28 HG SER 6 HG SER 6 -10.632 -11.165 -0.199 29 H ASP 7 H ASP 7 -11.210 -6.519 0.604 30 HA ASP 7 HA ASP 7 -13.439 -5.493 -0.887 31 1HB ASP 7 1HB ASP 7 -14.563 -4.369 0.934 32 2HB ASP 7 2HB ASP 7 -14.469 -6.073 1.345 33 H LYS 8 H LYS 8 -13.161 -3.305 -1.352 34 HA LYS 8 HA LYS 8 -10.472 -2.428 -0.752 35 1HB LYS 8 1HB LYS 8 -12.399 -1.527 -2.842 36 2HB LYS 8 2HB LYS 8 -10.904 -0.663 -2.495 37 1HG LYS 8 1HG LYS 8 -9.646 -2.742 -2.951 38 2HG LYS 8 2HG LYS 8 -11.164 -3.507 -3.427 39 1HD LYS 8 1HD LYS 8 -10.119 -0.996 -4.544 40 2HD LYS 8 2HD LYS 8 -9.758 -2.561 -5.304 41 1HE LYS 8 1HE LYS 8 -12.243 -2.901 -5.540 42 2HE LYS 8 2HE LYS 8 -12.490 -1.284 -4.899 43 1HZ LYS 8 1HZ LYS 8 -11.299 -0.385 -6.807 44 2HZ LYS 8 2HZ LYS 8 -12.600 -1.297 -7.300 45 3HZ LYS 8 3HZ LYS 8 -11.041 -1.932 -7.407 46 H ARG 9 H ARG 9 -9.982 -0.335 -0.306 47 HA ARG 9 HA ARG 9 -9.848 1.060 1.535 48 1HB ARG 9 1HB ARG 9 -11.180 2.448 -0.091 49 2HB ARG 9 2HB ARG 9 -12.653 1.840 0.649 50 1HG ARG 9 1HG ARG 9 -11.953 2.877 2.793 51 2HG ARG 9 2HG ARG 9 -10.552 3.561 1.970 52 1HD ARG 9 1HD ARG 9 -12.349 5.206 2.117 53 2HD ARG 9 2HD ARG 9 -12.056 4.760 0.436 54 HE ARG 9 HE ARG 9 -14.071 3.185 1.705 55 1HH1 ARG 9 1HH1 ARG 9 -13.551 6.275 0.057 56 2HH1 ARG 9 2HH1 ARG 9 -15.115 6.380 -0.545 57 1HH2 ARG 9 1HH2 ARG 9 -16.261 3.354 0.897 58 2HH2 ARG 9 2HH2 ARG 9 -16.685 4.705 -0.056 59 H THR 10 H THR 10 -9.814 -0.726 2.950 60 HA THR 10 HA THR 10 -12.350 -1.497 4.154 61 HB THR 10 HB THR 10 -10.701 -3.112 3.215 62 HG1 THR 10 HG1 THR 10 -12.138 -3.953 4.523 63 1HG2 THR 10 1HG2 THR 10 -8.619 -2.158 4.011 64 2HG2 THR 10 2HG2 THR 10 -8.779 -3.797 4.640 65 3HG2 THR 10 3HG2 THR 10 -9.106 -2.416 5.685 66 H CYS 11 H CYS 11 -10.233 0.758 4.605 67 HA CYS 11 HA CYS 11 -10.506 0.842 7.518 68 1HB CYS 11 1HB CYS 11 -8.214 1.862 7.532 69 2HB CYS 11 2HB CYS 11 -8.264 0.150 7.101 70 H VAL 12 H VAL 12 -10.316 3.070 8.323 71 HA VAL 12 HA VAL 12 -11.178 5.006 6.289 72 HB VAL 12 HB VAL 12 -11.767 5.060 9.261 73 1HG1 VAL 12 1HG1 VAL 12 -13.346 6.860 8.701 74 2HG1 VAL 12 2HG1 VAL 12 -12.805 6.794 7.024 75 3HG1 VAL 12 3HG1 VAL 12 -11.682 7.286 8.294 76 1HG2 VAL 12 1HG2 VAL 12 -14.090 4.524 8.653 77 2HG2 VAL 12 2HG2 VAL 12 -12.979 3.235 8.188 78 3HG2 VAL 12 3HG2 VAL 12 -13.601 4.353 6.968 79 H SER 13 H SER 13 -9.365 4.681 9.353 80 HA SER 13 HA SER 13 -8.089 7.200 8.912 81 1HB SER 13 1HB SER 13 -6.887 6.510 11.020 82 2HB SER 13 2HB SER 13 -8.637 6.798 11.147 83 HG SER 13 HG SER 13 -8.394 4.926 12.129 84 H LEU 14 H LEU 14 -6.041 7.555 8.317 85 HA LEU 14 HA LEU 14 -4.557 5.240 7.292 86 1HB LEU 14 1HB LEU 14 -4.453 8.123 6.446 87 2HB LEU 14 2HB LEU 14 -3.621 6.780 5.685 88 HG LEU 14 HG LEU 14 -6.590 7.159 5.812 89 1HD1 LEU 14 1HD1 LEU 14 -4.698 7.368 3.487 90 2HD1 LEU 14 2HD1 LEU 14 -5.470 8.730 4.302 91 3HD1 LEU 14 3HD1 LEU 14 -6.449 7.559 3.417 92 1HD2 LEU 14 1HD2 LEU 14 -5.989 4.818 5.844 93 2HD2 LEU 14 2HD2 LEU 14 -4.963 5.039 4.420 94 3HD2 LEU 14 3HD2 LEU 14 -6.709 5.260 4.301 95 H THR 15 H THR 15 -2.390 5.154 7.680 96 HA THR 15 HA THR 15 -1.570 6.622 10.035 97 HB THR 15 HB THR 15 -1.114 4.092 9.800 98 HG1 THR 15 HG1 THR 15 0.156 4.736 11.346 99 1HG2 THR 15 1HG2 THR 15 -0.252 4.134 7.467 100 2HG2 THR 15 2HG2 THR 15 0.915 3.454 8.608 101 3HG2 THR 15 3HG2 THR 15 1.118 5.105 8.037 102 H THR 16 H THR 16 0.321 7.740 10.190 103 HA THR 16 HA THR 16 1.576 8.519 7.681 104 HB THR 16 HB THR 16 2.220 10.676 8.868 105 HG1 THR 16 HG1 THR 16 0.957 9.448 10.915 106 1HG2 THR 16 1HG2 THR 16 0.039 11.764 8.501 107 2HG2 THR 16 2HG2 THR 16 -0.736 10.181 8.444 108 3HG2 THR 16 3HG2 THR 16 0.429 10.640 7.203 109 H GLN 17 H GLN 17 1.827 6.632 10.243 110 HA GLN 17 HA GLN 17 4.539 7.120 11.030 111 1HB GLN 17 1HB GLN 17 2.593 6.161 12.390 112 2HB GLN 17 2HB GLN 17 2.829 4.656 11.520 113 1HG GLN 17 1HG GLN 17 4.762 6.036 13.389 114 2HG GLN 17 2HG GLN 17 3.788 4.630 13.769 115 1HE2 GLN 17 1HE2 GLN 17 4.371 2.663 12.882 116 2HE2 GLN 17 2HE2 GLN 17 5.954 2.360 12.256 117 H ARG 18 H ARG 18 6.170 5.705 10.364 118 HA ARG 18 HA ARG 18 5.574 4.896 7.626 119 1HB ARG 18 1HB ARG 18 8.257 5.480 8.781 120 2HB ARG 18 2HB ARG 18 7.879 5.158 7.091 121 1HG ARG 18 1HG ARG 18 6.368 7.158 7.187 122 2HG ARG 18 2HG ARG 18 7.105 7.521 8.749 123 1HD ARG 18 1HD ARG 18 8.460 7.191 6.135 124 2HD ARG 18 2HD ARG 18 8.176 8.732 6.944 125 HE ARG 18 HE ARG 18 9.874 6.618 8.130 126 1HH1 ARG 18 1HH1 ARG 18 9.427 10.003 7.184 127 2HH1 ARG 18 2HH1 ARG 18 10.929 10.519 7.774 128 1HH2 ARG 18 1HH2 ARG 18 11.966 7.325 8.924 129 2HH2 ARG 18 2HH2 ARG 18 12.412 8.960 8.789 130 H LEU 19 H LEU 19 6.415 3.130 6.682 131 HA LEU 19 HA LEU 19 7.358 0.965 8.398 132 1HB LEU 19 1HB LEU 19 5.640 0.911 5.896 133 2HB LEU 19 2HB LEU 19 6.429 -0.509 6.525 134 HG LEU 19 HG LEU 19 5.029 -0.339 8.569 135 1HD1 LEU 19 1HD1 LEU 19 3.055 1.088 8.603 136 2HD1 LEU 19 2HD1 LEU 19 3.568 1.850 7.101 137 3HD1 LEU 19 3HD1 LEU 19 4.534 2.048 8.563 138 1HD2 LEU 19 1HD2 LEU 19 3.538 -0.464 5.965 139 2HD2 LEU 19 2HD2 LEU 19 2.964 -1.090 7.512 140 3HD2 LEU 19 3HD2 LEU 19 4.398 -1.786 6.750 141 HA PRO 20 HA PRO 20 10.873 1.112 5.649 142 1HB PRO 20 1HB PRO 20 11.052 -1.796 5.514 143 2HB PRO 20 2HB PRO 20 12.157 -0.666 6.284 144 1HG PRO 20 1HG PRO 20 10.513 -2.391 7.620 145 2HG PRO 20 2HG PRO 20 11.162 -0.892 8.322 146 1HD PRO 20 1HD PRO 20 8.444 -1.525 7.313 147 2HD PRO 20 2HD PRO 20 8.951 -0.377 8.569 148 H CYS 21 H CYS 21 10.922 1.281 3.498 149 HA CYS 21 HA CYS 21 8.694 0.537 1.946 150 1HB CYS 21 1HB CYS 21 10.346 2.499 1.579 151 2HB CYS 21 2HB CYS 21 11.368 1.297 0.787 152 H SER 22 H SER 22 11.662 -1.016 2.735 153 HA SER 22 HA SER 22 11.779 -2.887 0.634 154 1HB SER 22 1HB SER 22 12.853 -3.061 3.450 155 2HB SER 22 2HB SER 22 13.402 -4.000 2.057 156 HG SER 22 HG SER 22 14.792 -2.321 2.286 157 H ARG 23 H ARG 23 9.568 -2.568 3.254 158 HA ARG 23 HA ARG 23 9.052 -5.437 3.186 159 1HB ARG 23 1HB ARG 23 8.034 -3.452 5.220 160 2HB ARG 23 2HB ARG 23 7.765 -5.188 5.246 161 1HG ARG 23 1HG ARG 23 10.263 -5.463 5.391 162 2HG ARG 23 2HG ARG 23 10.359 -3.721 5.639 163 1HD ARG 23 1HD ARG 23 10.370 -4.734 7.791 164 2HD ARG 23 2HD ARG 23 8.774 -4.015 7.562 165 HE ARG 23 HE ARG 23 8.982 -6.773 6.787 166 1HH1 ARG 23 1HH1 ARG 23 8.088 -4.558 9.383 167 2HH1 ARG 23 2HH1 ARG 23 7.302 -5.729 10.316 168 1HH2 ARG 23 1HH2 ARG 23 7.930 -8.400 8.039 169 2HH2 ARG 23 2HH2 ARG 23 7.215 -8.003 9.527 170 H ILE 24 H ILE 24 8.036 -2.737 1.669 171 HA ILE 24 HA ILE 24 5.206 -3.027 1.641 172 HB ILE 24 HB ILE 24 7.057 -1.874 -0.504 173 1HG1 ILE 24 1HG1 ILE 24 7.008 -0.697 1.757 174 2HG1 ILE 24 2HG1 ILE 24 6.605 0.305 0.369 175 1HG2 ILE 24 1HG2 ILE 24 4.083 -1.661 -0.260 176 2HG2 ILE 24 2HG2 ILE 24 4.959 -2.634 -1.411 177 3HG2 ILE 24 3HG2 ILE 24 5.079 -0.857 -1.491 178 1HD1 ILE 24 1HD1 ILE 24 5.185 0.769 2.288 179 2HD1 ILE 24 2HD1 ILE 24 4.607 -0.907 2.301 180 3HD1 ILE 24 3HD1 ILE 24 4.274 0.160 0.926 181 H LYS 25 H LYS 25 3.970 -4.493 0.550 182 HA LYS 25 HA LYS 25 5.377 -6.285 -1.280 183 1HB LYS 25 1HB LYS 25 4.237 -7.151 0.782 184 2HB LYS 25 2HB LYS 25 2.721 -6.662 0.077 185 1HG LYS 25 1HG LYS 25 4.563 -8.725 -1.180 186 2HG LYS 25 2HG LYS 25 3.220 -9.130 -0.128 187 1HD LYS 25 1HD LYS 25 1.672 -8.102 -1.751 188 2HD LYS 25 2HD LYS 25 3.041 -7.717 -2.794 189 1HE LYS 25 1HE LYS 25 3.544 -10.084 -3.037 190 2HE LYS 25 2HE LYS 25 2.229 -10.494 -1.939 191 1HZ LYS 25 1HZ LYS 25 0.669 -9.558 -3.543 192 2HZ LYS 25 2HZ LYS 25 1.603 -10.783 -4.232 193 3HZ LYS 25 3HZ LYS 25 1.938 -9.195 -4.604 194 H THR 26 H THR 26 2.239 -4.594 -0.840 195 HA THR 26 HA THR 26 2.234 -3.813 -3.582 196 HB THR 26 HB THR 26 1.391 -6.164 -3.718 197 HG1 THR 26 HG1 THR 26 -0.215 -5.670 -5.042 198 1HG2 THR 26 1HG2 THR 26 0.316 -6.336 -1.536 199 2HG2 THR 26 2HG2 THR 26 -0.844 -6.696 -2.815 200 3HG2 THR 26 3HG2 THR 26 -0.878 -5.129 -2.013 201 H TYR 27 H TYR 27 0.199 -2.517 -4.013 202 HA TYR 27 HA TYR 27 -1.029 -1.518 -1.560 203 1HB TYR 27 1HB TYR 27 -0.662 0.810 -2.129 204 2HB TYR 27 2HB TYR 27 0.893 0.043 -2.149 205 HD1 TYR 27 HD1 TYR 27 -1.751 1.495 -4.153 206 HD2 TYR 27 HD2 TYR 27 2.138 -0.178 -4.228 207 HE1 TYR 27 HE1 TYR 27 -1.474 2.368 -6.373 208 HE2 TYR 27 HE2 TYR 27 2.460 0.714 -6.529 209 HH TYR 27 HH TYR 27 1.056 1.362 -8.418 210 H THR 28 H THR 28 -2.908 -0.234 -1.989 211 HA THR 28 HA THR 28 -4.037 -0.304 -4.631 212 HB THR 28 HB THR 28 -5.105 -2.244 -3.706 213 HG1 THR 28 HG1 THR 28 -6.576 -1.103 -4.826 214 1HG2 THR 28 1HG2 THR 28 -4.699 -1.879 -1.322 215 2HG2 THR 28 2HG2 THR 28 -6.410 -2.224 -1.603 216 3HG2 THR 28 3HG2 THR 28 -5.875 -0.564 -1.318 217 H ILE 29 H ILE 29 -4.720 1.639 -5.148 218 HA ILE 29 HA ILE 29 -5.088 3.562 -2.970 219 HB ILE 29 HB ILE 29 -4.722 4.090 -5.940 220 1HG1 ILE 29 1HG1 ILE 29 -2.799 4.505 -3.616 221 2HG1 ILE 29 2HG1 ILE 29 -2.650 3.297 -4.873 222 1HG2 ILE 29 1HG2 ILE 29 -4.900 6.045 -3.635 223 2HG2 ILE 29 2HG2 ILE 29 -6.111 5.808 -4.896 224 3HG2 ILE 29 3HG2 ILE 29 -4.529 6.463 -5.308 225 1HD1 ILE 29 1HD1 ILE 29 -1.171 5.141 -5.245 226 2HD1 ILE 29 2HD1 ILE 29 -2.536 6.259 -5.220 227 3HD1 ILE 29 3HD1 ILE 29 -2.390 5.066 -6.523 228 H THR 30 H THR 30 -7.011 4.292 -2.490 229 HA THR 30 HA THR 30 -9.175 3.672 -4.336 230 HB THR 30 HB THR 30 -10.627 3.675 -2.288 231 HG1 THR 30 HG1 THR 30 -8.058 3.584 -1.021 232 1HG2 THR 30 1HG2 THR 30 -10.028 1.342 -1.662 233 2HG2 THR 30 2HG2 THR 30 -8.486 1.530 -2.489 234 3HG2 THR 30 3HG2 THR 30 -9.988 1.582 -3.406 235 H GLU 31 H GLU 31 -10.505 5.262 -4.913 236 HA GLU 31 HA GLU 31 -10.391 7.726 -3.393 237 1HB GLU 31 1HB GLU 31 -10.566 9.028 -5.487 238 2HB GLU 31 2HB GLU 31 -9.045 8.161 -5.348 239 1HG GLU 31 1HG GLU 31 -9.798 6.501 -6.898 240 2HG GLU 31 2HG GLU 31 -11.406 7.227 -6.945 241 H GLY 32 H GLY 32 -12.197 8.919 -3.439 242 1HA GLY 32 1HA GLY 32 -14.545 9.145 -4.334 243 2HA GLY 32 2HA GLY 32 -14.665 7.409 -4.009 244 H SER 33 H SER 33 -13.570 10.333 -2.433 245 HA SER 33 HA SER 33 -13.614 11.125 -0.361 246 1HB SER 33 1HB SER 33 -15.783 9.063 0.166 247 2HB SER 33 2HB SER 33 -15.311 10.321 1.312 248 HG SER 33 HG SER 33 -16.286 10.725 -1.314 249 H LEU 34 H LEU 34 -12.140 10.887 1.148 250 HA LEU 34 HA LEU 34 -10.376 10.035 2.211 251 1HB LEU 34 1HB LEU 34 -12.216 7.660 2.548 252 2HB LEU 34 2HB LEU 34 -10.607 7.690 3.232 253 HG LEU 34 HG LEU 34 -12.250 8.157 4.930 254 1HD1 LEU 34 1HD1 LEU 34 -11.427 10.260 5.812 255 2HD1 LEU 34 2HD1 LEU 34 -10.698 10.635 4.252 256 3HD1 LEU 34 3HD1 LEU 34 -10.131 9.246 5.182 257 1HD2 LEU 34 1HD2 LEU 34 -13.108 10.517 3.256 258 2HD2 LEU 34 2HD2 LEU 34 -13.683 10.153 4.881 259 3HD2 LEU 34 3HD2 LEU 34 -14.055 9.061 3.547 260 H ARG 35 H ARG 35 -9.070 10.166 0.426 261 HA ARG 35 HA ARG 35 -8.700 7.894 -1.273 262 1HB ARG 35 1HB ARG 35 -7.039 10.376 -0.849 263 2HB ARG 35 2HB ARG 35 -6.505 9.074 -1.889 264 1HG ARG 35 1HG ARG 35 -7.462 10.883 -3.193 265 2HG ARG 35 2HG ARG 35 -8.432 9.426 -3.329 266 1HD ARG 35 1HD ARG 35 -9.790 11.451 -3.118 267 2HD ARG 35 2HD ARG 35 -10.067 10.330 -1.781 268 HE ARG 35 HE ARG 35 -8.117 12.142 -0.990 269 1HH1 ARG 35 1HH1 ARG 35 -11.507 12.250 -1.978 270 2HH1 ARG 35 2HH1 ARG 35 -11.939 13.546 -0.965 271 1HH2 ARG 35 1HH2 ARG 35 -8.691 13.962 0.426 272 2HH2 ARG 35 2HH2 ARG 35 -10.284 14.543 0.430 273 H ALA 36 H ALA 36 -7.948 6.127 -0.509 274 HA ALA 36 HA ALA 36 -5.832 6.301 1.511 275 1HB ALA 36 1HB ALA 36 -8.039 4.280 1.344 276 2HB ALA 36 2HB ALA 36 -7.898 5.603 2.521 277 3HB ALA 36 3HB ALA 36 -6.693 4.298 2.486 278 H VAL 37 H VAL 37 -4.017 5.338 0.971 279 HA VAL 37 HA VAL 37 -4.191 3.291 -1.041 280 HB VAL 37 HB VAL 37 -2.665 5.067 -1.683 281 1HG1 VAL 37 1HG1 VAL 37 -2.175 6.005 0.475 282 2HG1 VAL 37 2HG1 VAL 37 -0.683 5.623 -0.400 283 3HG1 VAL 37 3HG1 VAL 37 -1.244 4.572 0.904 284 1HG2 VAL 37 1HG2 VAL 37 -2.030 2.817 -2.306 285 2HG2 VAL 37 2HG2 VAL 37 -1.171 2.623 -0.777 286 3HG2 VAL 37 3HG2 VAL 37 -0.596 3.790 -1.968 287 H ILE 38 H ILE 38 -4.204 1.376 -0.301 288 HA ILE 38 HA ILE 38 -3.344 0.859 2.440 289 HB ILE 38 HB ILE 38 -4.962 -0.864 0.540 290 1HG1 ILE 38 1HG1 ILE 38 -5.829 0.762 2.937 291 2HG1 ILE 38 2HG1 ILE 38 -6.148 1.166 1.254 292 1HG2 ILE 38 1HG2 ILE 38 -4.361 -1.287 3.468 293 2HG2 ILE 38 2HG2 ILE 38 -3.735 -2.246 2.126 294 3HG2 ILE 38 3HG2 ILE 38 -5.460 -2.264 2.494 295 1HD1 ILE 38 1HD1 ILE 38 -8.096 0.209 2.340 296 2HD1 ILE 38 2HD1 ILE 38 -7.171 -1.243 2.726 297 3HD1 ILE 38 3HD1 ILE 38 -7.520 -0.842 1.042 298 H PHE 39 H PHE 39 -1.540 -0.138 2.831 299 HA PHE 39 HA PHE 39 -0.162 -1.453 0.624 300 1HB PHE 39 1HB PHE 39 0.927 -0.116 3.084 301 2HB PHE 39 2HB PHE 39 1.889 -1.174 2.063 302 HD1 PHE 39 HD1 PHE 39 2.366 -0.562 -0.227 303 HD2 PHE 39 HD2 PHE 39 0.407 2.087 2.431 304 HE1 PHE 39 HE1 PHE 39 2.896 1.296 -1.724 305 HE2 PHE 39 HE2 PHE 39 0.918 3.956 0.950 306 HZ PHE 39 HZ PHE 39 2.179 3.536 -1.170 307 H ILE 40 H ILE 40 0.162 -3.460 0.726 308 HA ILE 40 HA ILE 40 -0.417 -4.820 3.236 309 HB ILE 40 HB ILE 40 0.120 -6.143 0.559 310 1HG1 ILE 40 1HG1 ILE 40 -1.754 -4.589 0.208 311 2HG1 ILE 40 2HG1 ILE 40 -2.307 -6.250 0.178 312 1HG2 ILE 40 1HG2 ILE 40 -1.381 -6.947 3.028 313 2HG2 ILE 40 2HG2 ILE 40 0.210 -7.553 2.556 314 3HG2 ILE 40 3HG2 ILE 40 -1.224 -7.970 1.595 315 1HD1 ILE 40 1HD1 ILE 40 -3.877 -4.828 1.388 316 2HD1 ILE 40 2HD1 ILE 40 -2.595 -4.348 2.510 317 3HD1 ILE 40 3HD1 ILE 40 -3.136 -6.024 2.449 318 H THR 41 H THR 41 1.264 -5.768 4.292 319 HA THR 41 HA THR 41 3.899 -5.103 3.346 320 HB THR 41 HB THR 41 4.666 -6.064 5.495 321 HG1 THR 41 HG1 THR 41 3.053 -6.676 6.988 322 1HG2 THR 41 1HG2 THR 41 3.994 -3.709 5.392 323 2HG2 THR 41 2HG2 THR 41 3.601 -4.407 6.962 324 3HG2 THR 41 3HG2 THR 41 2.330 -4.163 5.761 325 H LYS 42 H LYS 42 5.618 -6.764 3.416 326 HA LYS 42 HA LYS 42 5.032 -8.965 1.759 327 1HB LYS 42 1HB LYS 42 7.173 -7.738 1.911 328 2HB LYS 42 2HB LYS 42 7.454 -8.475 3.482 329 1HG LYS 42 1HG LYS 42 7.497 -10.676 2.450 330 2HG LYS 42 2HG LYS 42 7.166 -9.947 0.876 331 1HD LYS 42 1HD LYS 42 9.583 -9.426 2.593 332 2HD LYS 42 2HD LYS 42 9.544 -10.463 1.158 333 1HE LYS 42 1HE LYS 42 8.969 -8.521 -0.233 334 2HE LYS 42 2HE LYS 42 8.966 -7.485 1.189 335 1HZ LYS 42 1HZ LYS 42 11.008 -7.255 -0.012 336 2HZ LYS 42 2HZ LYS 42 11.314 -8.910 0.071 337 3HZ LYS 42 3HZ LYS 42 11.321 -7.977 1.476 338 H ARG 43 H ARG 43 4.705 -8.517 5.096 339 HA ARG 43 HA ARG 43 4.876 -11.297 5.845 340 1HB ARG 43 1HB ARG 43 5.454 -9.527 7.472 341 2HB ARG 43 2HB ARG 43 3.820 -8.899 7.362 342 1HG ARG 43 1HG ARG 43 2.937 -10.941 8.358 343 2HG ARG 43 2HG ARG 43 4.560 -11.627 8.409 344 1HD ARG 43 1HD ARG 43 5.270 -9.853 9.918 345 2HD ARG 43 2HD ARG 43 3.663 -9.143 9.849 346 HE ARG 43 HE ARG 43 3.009 -11.513 10.741 347 1HH1 ARG 43 1HH1 ARG 43 5.850 -9.643 11.695 348 2HH1 ARG 43 2HH1 ARG 43 5.852 -10.175 13.308 349 1HH2 ARG 43 1HH2 ARG 43 2.995 -12.260 12.893 350 2HH2 ARG 43 2HH2 ARG 43 4.166 -11.732 14.021 351 H GLY 44 H GLY 44 2.557 -9.250 4.407 352 1HA GLY 44 1HA GLY 44 0.557 -10.036 3.499 353 2HA GLY 44 2HA GLY 44 0.558 -11.350 4.668 354 H LEU 45 H LEU 45 1.212 -8.183 5.861 355 HA LEU 45 HA LEU 45 -1.419 -8.212 7.163 356 1HB LEU 45 1HB LEU 45 1.034 -6.607 7.804 357 2HB LEU 45 2HB LEU 45 -0.475 -6.579 8.694 358 HG LEU 45 HG LEU 45 1.380 -8.903 8.420 359 1HD1 LEU 45 1HD1 LEU 45 0.656 -7.153 10.749 360 2HD1 LEU 45 2HD1 LEU 45 2.188 -7.124 9.880 361 3HD1 LEU 45 3HD1 LEU 45 1.733 -8.551 10.830 362 1HD2 LEU 45 1HD2 LEU 45 -0.909 -9.685 8.553 363 2HD2 LEU 45 2HD2 LEU 45 -1.202 -8.645 9.942 364 3HD2 LEU 45 3HD2 LEU 45 -0.082 -10.000 10.080 365 H LYS 46 H LYS 46 -2.628 -6.507 7.265 366 HA LYS 46 HA LYS 46 -2.510 -4.859 4.850 367 1HB LYS 46 1HB LYS 46 -4.787 -5.551 6.707 368 2HB LYS 46 2HB LYS 46 -4.927 -4.610 5.219 369 1HG LYS 46 1HG LYS 46 -4.361 -6.416 3.867 370 2HG LYS 46 2HG LYS 46 -3.738 -7.345 5.224 371 1HD LYS 46 1HD LYS 46 -5.839 -8.235 4.411 372 2HD LYS 46 2HD LYS 46 -5.986 -7.615 6.050 373 1HE LYS 46 1HE LYS 46 -7.144 -5.667 5.301 374 2HE LYS 46 2HE LYS 46 -6.762 -6.017 3.612 375 1HZ LYS 46 1HZ LYS 46 -8.160 -7.873 3.644 376 2HZ LYS 46 2HZ LYS 46 -9.103 -6.624 4.266 377 3HZ LYS 46 3HZ LYS 46 -8.450 -7.816 5.288 378 H VAL 47 H VAL 47 -1.832 -2.908 5.072 379 HA VAL 47 HA VAL 47 -2.371 -1.420 7.562 380 HB VAL 47 HB VAL 47 0.180 -1.245 5.908 381 1HG1 VAL 47 1HG1 VAL 47 1.070 0.121 7.744 382 2HG1 VAL 47 2HG1 VAL 47 -0.501 0.054 8.542 383 3HG1 VAL 47 3HG1 VAL 47 -0.339 0.865 6.985 384 1HG2 VAL 47 1HG2 VAL 47 1.317 -2.315 7.823 385 2HG2 VAL 47 2HG2 VAL 47 0.101 -3.370 7.099 386 3HG2 VAL 47 3HG2 VAL 47 -0.250 -2.530 8.608 387 H CYS 48 H CYS 48 -2.727 0.905 7.232 388 HA CYS 48 HA CYS 48 -3.240 1.558 4.414 389 1HB CYS 48 1HB CYS 48 -4.814 2.369 6.854 390 2HB CYS 48 2HB CYS 48 -5.127 2.905 5.205 391 H ALA 49 H ALA 49 -2.271 3.370 3.705 392 HA ALA 49 HA ALA 49 -1.023 5.101 5.706 393 1HB ALA 49 1HB ALA 49 0.864 5.323 4.189 394 2HB ALA 49 2HB ALA 49 0.063 4.233 3.048 395 3HB ALA 49 3HB ALA 49 0.587 3.631 4.616 396 H ASP 50 H ASP 50 -0.805 7.283 5.155 397 HA ASP 50 HA ASP 50 -2.967 8.305 3.550 398 1HB ASP 50 1HB ASP 50 -2.115 9.370 5.702 399 2HB ASP 50 2HB ASP 50 -0.712 9.883 4.785 400 HA PRO 51 HA PRO 51 -0.617 8.322 -0.283 401 1HB PRO 51 1HB PRO 51 -2.626 10.374 -1.017 402 2HB PRO 51 2HB PRO 51 -2.159 8.896 -1.866 403 1HG PRO 51 1HG PRO 51 -4.456 9.030 -0.549 404 2HG PRO 51 2HG PRO 51 -3.479 7.553 -0.518 405 1HD PRO 51 1HD PRO 51 -3.816 9.647 1.588 406 2HD PRO 51 2HD PRO 51 -3.670 7.882 1.734 407 H GLN 52 H GLN 52 -1.114 11.260 1.684 408 HA GLN 52 HA GLN 52 0.489 12.752 -0.230 409 1HB GLN 52 1HB GLN 52 0.053 14.731 1.020 410 2HB GLN 52 2HB GLN 52 -1.453 13.851 0.915 411 1HG GLN 52 1HG GLN 52 -1.125 13.047 3.211 412 2HG GLN 52 2HG GLN 52 0.369 13.976 3.307 413 1HE2 GLN 52 1HE2 GLN 52 -0.322 15.329 4.938 414 2HE2 GLN 52 2HE2 GLN 52 -1.562 16.506 4.685 415 H ALA 53 H ALA 53 1.023 10.739 2.297 416 HA ALA 53 HA ALA 53 3.290 11.955 3.548 417 1HB ALA 53 1HB ALA 53 2.021 10.126 4.610 418 2HB ALA 53 2HB ALA 53 3.734 9.729 4.443 419 3HB ALA 53 3HB ALA 53 2.551 9.044 3.328 420 H THR 54 H THR 54 5.295 12.054 3.020 421 HA THR 54 HA THR 54 6.054 11.850 0.366 422 HB THR 54 HB THR 54 7.816 11.935 2.822 423 HG1 THR 54 HG1 THR 54 7.424 14.301 1.672 424 1HG2 THR 54 1HG2 THR 54 9.030 11.526 0.713 425 2HG2 THR 54 2HG2 THR 54 9.371 13.143 1.332 426 3HG2 THR 54 3HG2 THR 54 8.245 12.928 -0.010 427 H TRP 55 H TRP 55 6.466 9.643 3.056 428 HA TRP 55 HA TRP 55 8.275 7.947 1.650 429 1HB TRP 55 1HB TRP 55 8.072 6.346 3.459 430 2HB TRP 55 2HB TRP 55 8.100 7.954 4.149 431 HD1 TRP 55 HD1 TRP 55 5.743 8.814 5.119 432 HE1 TRP 55 HE1 TRP 55 3.770 7.494 6.175 433 HE3 TRP 55 HE3 TRP 55 6.851 4.238 3.318 434 HZ2 TRP 55 HZ2 TRP 55 2.852 4.880 6.224 435 HZ3 TRP 55 HZ3 TRP 55 5.382 2.331 3.889 436 HH2 TRP 55 HH2 TRP 55 3.421 2.642 5.306 437 H VAL 56 H VAL 56 4.867 8.166 1.896 438 HA VAL 56 HA VAL 56 4.253 5.673 0.680 439 HB VAL 56 HB VAL 56 2.570 8.171 1.054 440 1HG1 VAL 56 1HG1 VAL 56 1.745 6.950 -0.838 441 2HG1 VAL 56 2HG1 VAL 56 0.662 6.746 0.547 442 3HG1 VAL 56 3HG1 VAL 56 1.777 5.450 0.084 443 1HG2 VAL 56 1HG2 VAL 56 1.503 6.890 2.807 444 2HG2 VAL 56 2HG2 VAL 56 3.241 7.031 3.113 445 3HG2 VAL 56 3HG2 VAL 56 2.576 5.528 2.486 446 H ARG 57 H ARG 57 4.339 9.020 -0.433 447 HA ARG 57 HA ARG 57 3.592 8.623 -3.078 448 1HB ARG 57 1HB ARG 57 5.707 10.576 -2.139 449 2HB ARG 57 2HB ARG 57 4.796 10.681 -3.632 450 1HG ARG 57 1HG ARG 57 2.743 11.012 -2.322 451 2HG ARG 57 2HG ARG 57 3.701 10.975 -0.841 452 1HD ARG 57 1HD ARG 57 5.046 12.853 -1.703 453 2HD ARG 57 2HD ARG 57 3.961 12.960 -3.100 454 HE ARG 57 HE ARG 57 3.013 13.291 -0.339 455 1HH1 ARG 57 1HH1 ARG 57 3.188 14.534 -3.667 456 2HH1 ARG 57 2HH1 ARG 57 2.344 15.958 -3.317 457 1HH2 ARG 57 1HH2 ARG 57 1.866 15.305 0.133 458 2HH2 ARG 57 2HH2 ARG 57 1.567 16.392 -1.135 459 H ASP 58 H ASP 58 6.703 8.275 -1.551 460 HA ASP 58 HA ASP 58 8.113 7.672 -3.949 461 1HB ASP 58 1HB ASP 58 9.389 8.551 -2.145 462 2HB ASP 58 2HB ASP 58 8.840 7.289 -1.055 463 H CYS 59 H CYS 59 6.716 5.541 -1.421 464 HA CYS 59 HA CYS 59 7.789 3.230 -2.761 465 1HB CYS 59 1HB CYS 59 5.770 3.352 -0.577 466 2HB CYS 59 2HB CYS 59 6.567 1.934 -1.232 467 H VAL 60 H VAL 60 4.676 4.815 -2.658 468 HA VAL 60 HA VAL 60 3.238 2.726 -3.872 469 HB VAL 60 HB VAL 60 2.371 4.847 -2.637 470 1HG1 VAL 60 1HG1 VAL 60 3.431 6.549 -3.968 471 2HG1 VAL 60 2HG1 VAL 60 1.652 6.685 -4.079 472 3HG1 VAL 60 3HG1 VAL 60 2.568 5.935 -5.390 473 1HG2 VAL 60 1HG2 VAL 60 0.872 3.206 -3.560 474 2HG2 VAL 60 2HG2 VAL 60 0.949 3.988 -5.141 475 3HG2 VAL 60 3HG2 VAL 60 0.243 4.830 -3.760 476 H ARG 61 H ARG 61 5.466 5.087 -4.956 477 HA ARG 61 HA ARG 61 4.805 4.818 -7.742 478 1HB ARG 61 1HB ARG 61 5.329 6.985 -6.900 479 2HB ARG 61 2HB ARG 61 6.809 6.395 -6.174 480 1HG ARG 61 1HG ARG 61 7.269 7.681 -8.082 481 2HG ARG 61 2HG ARG 61 7.701 5.976 -8.310 482 1HD ARG 61 1HD ARG 61 5.815 5.601 -9.746 483 2HD ARG 61 2HD ARG 61 5.132 7.185 -9.361 484 HE ARG 61 HE ARG 61 7.458 7.867 -10.393 485 1HH1 ARG 61 1HH1 ARG 61 5.129 5.464 -11.727 486 2HH1 ARG 61 2HH1 ARG 61 5.496 5.914 -13.317 487 1HH2 ARG 61 1HH2 ARG 61 7.840 8.412 -12.632 488 2HH2 ARG 61 2HH2 ARG 61 7.002 7.568 -13.852 489 H SER 62 H SER 62 7.259 3.857 -5.376 490 HA SER 62 HA SER 62 9.142 2.751 -7.082 491 1HB SER 62 1HB SER 62 9.503 3.068 -4.607 492 2HB SER 62 2HB SER 62 8.373 1.769 -4.290 493 HG SER 62 HG SER 62 10.815 1.605 -5.691 494 H MET 63 H MET 63 6.307 1.236 -5.540 495 HA MET 63 HA MET 63 6.659 -1.248 -6.874 496 1HB MET 63 1HB MET 63 4.263 -0.083 -5.487 497 2HB MET 63 2HB MET 63 4.258 -1.687 -6.201 498 1HG MET 63 1HG MET 63 6.025 -0.704 -3.979 499 2HG MET 63 2HG MET 63 4.665 -1.817 -3.836 500 1HE MET 63 1HE MET 63 6.026 -4.919 -5.906 501 2HE MET 63 2HE MET 63 5.148 -3.553 -6.580 502 3HE MET 63 3HE MET 63 4.637 -4.256 -5.041 503 H ASP 64 H ASP 64 5.024 1.664 -7.672 504 HA ASP 64 HA ASP 64 3.489 0.722 -9.834 505 1HB ASP 64 1HB ASP 64 2.997 2.868 -8.860 506 2HB ASP 64 2HB ASP 64 4.620 3.443 -9.218 507 H ARG 65 H ARG 65 6.775 1.785 -9.555 508 HA ARG 65 HA ARG 65 7.382 1.793 -12.362 509 1HB ARG 65 1HB ARG 65 8.537 3.100 -10.505 510 2HB ARG 65 2HB ARG 65 9.224 1.599 -9.962 511 1HG ARG 65 1HG ARG 65 9.812 2.889 -12.646 512 2HG ARG 65 2HG ARG 65 10.770 3.122 -11.204 513 1HD ARG 65 1HD ARG 65 11.988 1.534 -12.373 514 2HD ARG 65 2HD ARG 65 11.046 0.535 -11.283 515 HE ARG 65 HE ARG 65 9.633 0.814 -13.668 516 1HH1 ARG 65 1HH1 ARG 65 12.567 -0.770 -12.445 517 2HH1 ARG 65 2HH1 ARG 65 12.621 -1.942 -13.673 518 1HH2 ARG 65 1HH2 ARG 65 9.705 -0.808 -15.352 519 2HH2 ARG 65 2HH2 ARG 65 10.950 -1.965 -15.383 520 H LYS 66 H LYS 66 8.087 -0.345 -9.607 521 HA LYS 66 HA LYS 66 9.456 -2.387 -10.929 522 1HB LYS 66 1HB LYS 66 7.636 -2.635 -8.536 523 2HB LYS 66 2HB LYS 66 8.783 -3.852 -9.066 524 1HG LYS 66 1HG LYS 66 10.625 -2.345 -8.609 525 2HG LYS 66 2HG LYS 66 9.480 -1.076 -8.152 526 1HD LYS 66 1HD LYS 66 8.650 -2.502 -6.340 527 2HD LYS 66 2HD LYS 66 9.816 -3.743 -6.782 528 1HE LYS 66 1HE LYS 66 10.455 -0.952 -5.831 529 2HE LYS 66 2HE LYS 66 10.598 -2.427 -4.882 530 1HZ LYS 66 1HZ LYS 66 12.723 -1.767 -5.723 531 2HZ LYS 66 2HZ LYS 66 12.179 -1.720 -7.297 532 3HZ LYS 66 3HZ LYS 66 12.276 -3.203 -6.478 533 H SER 67 H SER 67 5.983 -2.053 -10.363 534 HA SER 67 HA SER 67 5.451 -4.555 -11.667 535 1HB SER 67 1HB SER 67 3.562 -2.433 -10.654 536 2HB SER 67 2HB SER 67 3.145 -4.091 -11.104 537 HG SER 67 HG SER 67 4.315 -3.072 -8.871 538 H ASN 68 H ASN 68 5.148 -4.777 -13.753 539 HA ASN 68 HA ASN 68 5.099 -2.559 -15.543 540 1HB ASN 68 1HB ASN 68 6.082 -4.702 -16.228 541 2HB ASN 68 2HB ASN 68 4.526 -5.494 -16.003 542 1HD2 ASN 68 1HD2 ASN 68 2.919 -5.251 -17.565 543 2HD2 ASN 68 2HD2 ASN 68 3.235 -4.564 -19.110 544 H THR 69 H THR 69 3.368 -1.406 -16.060 545 HA THR 69 HA THR 69 0.811 -2.698 -15.673 546 HB THR 69 HB THR 69 1.199 -0.976 -13.987 547 HG1 THR 69 HG1 THR 69 -0.740 0.430 -15.019 548 1HG2 THR 69 1HG2 THR 69 1.291 0.856 -16.345 549 2HG2 THR 69 2HG2 THR 69 2.644 0.432 -15.293 550 3HG2 THR 69 3HG2 THR 69 1.290 1.399 -14.651 551 H ARG 70 H ARG 70 -0.883 -1.916 -17.109 552 HA ARG 70 HA ARG 70 0.258 -1.103 -19.677 553 1HB ARG 70 1HB ARG 70 -2.184 -2.811 -19.173 554 2HB ARG 70 2HB ARG 70 -1.601 -2.309 -20.755 555 1HG ARG 70 1HG ARG 70 0.495 -3.552 -20.320 556 2HG ARG 70 2HG ARG 70 -0.193 -4.112 -18.799 557 1HD ARG 70 1HD ARG 70 -1.321 -4.632 -21.549 558 2HD ARG 70 2HD ARG 70 -0.417 -5.779 -20.567 559 HE ARG 70 HE ARG 70 -2.638 -4.889 -19.098 560 1HH1 ARG 70 1HH1 ARG 70 -1.911 -6.891 -21.940 561 2HH1 ARG 70 2HH1 ARG 70 -3.319 -7.839 -21.802 562 1HH2 ARG 70 1HH2 ARG 70 -4.568 -6.219 -18.924 563 2HH2 ARG 70 2HH2 ARG 70 -4.834 -7.460 -20.058 564 H ASN 71 H ASN 71 -2.841 -1.072 -17.918 565 HA ASN 71 HA ASN 71 -3.097 1.746 -18.098 566 1HB ASN 71 1HB ASN 71 -3.624 1.198 -20.469 567 2HB ASN 71 2HB ASN 71 -4.924 0.148 -19.912 568 1HD2 ASN 71 1HD2 ASN 71 -6.831 1.085 -19.119 569 2HD2 ASN 71 2HD2 ASN 71 -7.186 2.760 -19.323 570 H ASN 72 H ASN 72 -5.161 -1.138 -18.166 571 HA ASN 72 HA ASN 72 -6.865 -0.077 -16.092 572 1HB ASN 72 1HB ASN 72 -6.833 -2.802 -17.423 573 2HB ASN 72 2HB ASN 72 -8.021 -2.283 -16.248 574 1HD2 ASN 72 1HD2 ASN 72 -9.654 -2.634 -17.696 575 2HD2 ASN 72 2HD2 ASN 72 -9.991 -1.600 -19.031 576 H MET 73 H MET 73 -5.940 -0.034 -14.112 577 HA MET 73 HA MET 73 -4.243 -2.242 -13.341 578 1HB MET 73 1HB MET 73 -5.038 0.231 -11.801 579 2HB MET 73 2HB MET 73 -3.920 -0.999 -11.230 580 1HG MET 73 1HG MET 73 -2.419 -0.479 -13.106 581 2HG MET 73 2HG MET 73 -3.542 0.774 -13.631 582 1HE MET 73 1HE MET 73 -1.184 0.911 -9.652 583 2HE MET 73 2HE MET 73 -1.053 -0.398 -10.829 584 3HE MET 73 3HE MET 73 -2.538 -0.182 -9.908 585 H ILE 74 H ILE 74 -5.412 -3.996 -13.023 586 HA ILE 74 HA ILE 74 -7.765 -3.835 -11.288 587 HB ILE 74 HB ILE 74 -8.221 -6.151 -12.004 588 1HG1 ILE 74 1HG1 ILE 74 -5.795 -5.810 -13.798 589 2HG1 ILE 74 2HG1 ILE 74 -5.869 -6.845 -12.378 590 1HG2 ILE 74 1HG2 ILE 74 -8.790 -5.649 -14.349 591 2HG2 ILE 74 2HG2 ILE 74 -7.759 -4.221 -14.283 592 3HG2 ILE 74 3HG2 ILE 74 -9.193 -4.321 -13.263 593 1HD1 ILE 74 1HD1 ILE 74 -6.106 -8.125 -14.430 594 2HD1 ILE 74 2HD1 ILE 74 -7.509 -7.159 -14.883 595 3HD1 ILE 74 3HD1 ILE 74 -7.578 -8.204 -13.467 596 H GLN 75 H GLN 75 -4.663 -4.008 -10.819 597 HA GLN 75 HA GLN 75 -4.768 -6.123 -8.820 598 1HB GLN 75 1HB GLN 75 -2.384 -4.920 -10.211 599 2HB GLN 75 2HB GLN 75 -2.299 -6.113 -8.927 600 1HG GLN 75 1HG GLN 75 -3.533 -7.694 -10.345 601 2HG GLN 75 2HG GLN 75 -3.528 -6.498 -11.645 602 1HE2 GLN 75 1HE2 GLN 75 -1.615 -8.661 -9.741 603 2HE2 GLN 75 2HE2 GLN 75 -0.231 -8.662 -10.760 Start of MODEL 10 1 1H GLY 2 1H GLY 2 -8.271 -14.516 -1.255 2 1HA GLY 2 1HA GLY 2 -10.340 -13.219 -1.821 3 2HA GLY 2 2HA GLY 2 -11.181 -14.426 -0.857 4 H SER 3 H SER 3 -8.550 -14.393 0.820 5 HA SER 3 HA SER 3 -9.651 -12.441 2.591 6 1HB SER 3 1HB SER 3 -7.514 -14.512 3.090 7 2HB SER 3 2HB SER 3 -8.196 -13.434 4.310 8 HG SER 3 HG SER 3 -10.285 -14.329 3.416 9 H GLU 4 H GLU 4 -9.054 -10.847 1.169 10 HA GLU 4 HA GLU 4 -6.666 -9.493 2.157 11 1HB GLU 4 1HB GLU 4 -7.488 -9.513 -0.770 12 2HB GLU 4 2HB GLU 4 -6.303 -8.440 -0.073 13 1HG GLU 4 1HG GLU 4 -4.880 -10.365 0.431 14 2HG GLU 4 2HG GLU 4 -6.081 -11.429 -0.307 15 H VAL 5 H VAL 5 -9.602 -9.399 0.240 16 HA VAL 5 HA VAL 5 -11.395 -8.127 0.209 17 HB VAL 5 HB VAL 5 -10.508 -7.049 2.909 18 1HG1 VAL 5 1HG1 VAL 5 -13.206 -6.980 1.562 19 2HG1 VAL 5 2HG1 VAL 5 -12.147 -5.599 1.855 20 3HG1 VAL 5 3HG1 VAL 5 -12.867 -6.469 3.214 21 1HG2 VAL 5 1HG2 VAL 5 -12.407 -9.303 2.251 22 2HG2 VAL 5 2HG2 VAL 5 -12.065 -8.686 3.866 23 3HG2 VAL 5 3HG2 VAL 5 -10.796 -9.482 2.934 24 H SER 6 H SER 6 -11.018 -6.933 -1.497 25 HA SER 6 HA SER 6 -9.813 -4.329 -1.044 26 1HB SER 6 1HB SER 6 -9.980 -5.943 -3.603 27 2HB SER 6 2HB SER 6 -9.239 -4.349 -3.437 28 HG SER 6 HG SER 6 -7.929 -5.429 -1.733 29 H ASP 7 H ASP 7 -11.417 -2.980 -0.711 30 HA ASP 7 HA ASP 7 -13.856 -3.198 -2.316 31 1HB ASP 7 1HB ASP 7 -14.150 -3.599 0.121 32 2HB ASP 7 2HB ASP 7 -13.410 -2.050 0.459 33 H LYS 8 H LYS 8 -14.913 -0.968 -2.494 34 HA LYS 8 HA LYS 8 -13.340 0.852 -3.859 35 1HB LYS 8 1HB LYS 8 -15.320 2.435 -3.496 36 2HB LYS 8 2HB LYS 8 -15.771 0.847 -4.112 37 1HG LYS 8 1HG LYS 8 -16.359 0.224 -1.848 38 2HG LYS 8 2HG LYS 8 -16.007 1.878 -1.346 39 1HD LYS 8 1HD LYS 8 -17.631 2.735 -2.834 40 2HD LYS 8 2HD LYS 8 -17.926 1.118 -3.507 41 1HE LYS 8 1HE LYS 8 -18.554 0.374 -1.318 42 2HE LYS 8 2HE LYS 8 -18.372 2.028 -0.712 43 1HZ LYS 8 1HZ LYS 8 -20.299 1.146 -2.807 44 2HZ LYS 8 2HZ LYS 8 -20.166 2.725 -2.234 45 3HZ LYS 8 3HZ LYS 8 -20.716 1.501 -1.216 46 H ARG 9 H ARG 9 -14.316 0.781 -0.497 47 HA ARG 9 HA ARG 9 -11.933 2.294 0.245 48 1HB ARG 9 1HB ARG 9 -14.722 2.977 1.225 49 2HB ARG 9 2HB ARG 9 -13.241 3.585 1.949 50 1HG ARG 9 1HG ARG 9 -12.697 4.776 -0.079 51 2HG ARG 9 2HG ARG 9 -14.106 4.092 -0.888 52 1HD ARG 9 1HD ARG 9 -14.515 6.373 -0.154 53 2HD ARG 9 2HD ARG 9 -15.577 5.235 0.679 54 HE ARG 9 HE ARG 9 -13.312 5.642 2.225 55 1HH1 ARG 9 1HH1 ARG 9 -16.167 7.463 1.122 56 2HH1 ARG 9 2HH1 ARG 9 -16.183 8.521 2.453 57 1HH2 ARG 9 1HH2 ARG 9 -13.356 7.151 4.080 58 2HH2 ARG 9 2HH2 ARG 9 -14.546 8.346 4.139 59 H THR 10 H THR 10 -11.077 0.417 0.906 60 HA THR 10 HA THR 10 -12.425 -1.408 2.626 61 HB THR 10 HB THR 10 -9.467 -1.158 2.082 62 HG1 THR 10 HG1 THR 10 -9.780 -2.307 0.288 63 1HG2 THR 10 1HG2 THR 10 -10.064 -2.702 3.885 64 2HG2 THR 10 2HG2 THR 10 -9.467 -3.583 2.478 65 3HG2 THR 10 3HG2 THR 10 -11.199 -3.521 2.813 66 H CYS 11 H CYS 11 -10.370 1.399 3.077 67 HA CYS 11 HA CYS 11 -10.503 1.078 5.958 68 1HB CYS 11 1HB CYS 11 -8.475 -0.070 5.172 69 2HB CYS 11 2HB CYS 11 -7.946 1.403 4.382 70 H VAL 12 H VAL 12 -10.435 3.068 6.985 71 HA VAL 12 HA VAL 12 -10.242 5.432 5.243 72 HB VAL 12 HB VAL 12 -11.924 6.549 6.692 73 1HG1 VAL 12 1HG1 VAL 12 -12.866 3.939 5.505 74 2HG1 VAL 12 2HG1 VAL 12 -12.650 5.458 4.635 75 3HG1 VAL 12 3HG1 VAL 12 -13.887 5.327 5.886 76 1HG2 VAL 12 1HG2 VAL 12 -11.567 5.271 8.746 77 2HG2 VAL 12 2HG2 VAL 12 -12.205 3.825 7.967 78 3HG2 VAL 12 3HG2 VAL 12 -13.263 5.199 8.265 79 H SER 13 H SER 13 -9.056 3.847 7.980 80 HA SER 13 HA SER 13 -8.190 6.224 9.323 81 1HB SER 13 1HB SER 13 -7.053 4.594 10.838 82 2HB SER 13 2HB SER 13 -8.802 4.352 10.697 83 HG SER 13 HG SER 13 -7.093 2.994 8.951 84 H LEU 14 H LEU 14 -6.288 7.245 8.887 85 HA LEU 14 HA LEU 14 -4.360 5.764 7.253 86 1HB LEU 14 1HB LEU 14 -4.857 8.735 7.366 87 2HB LEU 14 2HB LEU 14 -3.649 7.935 6.379 88 HG LEU 14 HG LEU 14 -6.616 7.566 6.124 89 1HD1 LEU 14 1HD1 LEU 14 -5.941 9.782 5.414 90 2HD1 LEU 14 2HD1 LEU 14 -6.367 8.800 4.011 91 3HD1 LEU 14 3HD1 LEU 14 -4.673 9.100 4.397 92 1HD2 LEU 14 1HD2 LEU 14 -6.042 6.411 4.042 93 2HD2 LEU 14 2HD2 LEU 14 -5.434 5.584 5.470 94 3HD2 LEU 14 3HD2 LEU 14 -4.334 6.530 4.458 95 H THR 15 H THR 15 -2.295 5.715 7.846 96 HA THR 15 HA THR 15 -1.707 6.779 10.498 97 HB THR 15 HB THR 15 -1.259 4.311 10.020 98 HG1 THR 15 HG1 THR 15 0.253 4.472 11.469 99 1HG2 THR 15 1HG2 THR 15 0.761 3.737 8.752 100 2HG2 THR 15 2HG2 THR 15 1.015 5.433 8.374 101 3HG2 THR 15 3HG2 THR 15 -0.388 4.584 7.704 102 H THR 16 H THR 16 0.528 7.527 10.774 103 HA THR 16 HA THR 16 1.614 8.775 8.401 104 HB THR 16 HB THR 16 0.622 10.601 9.574 105 HG1 THR 16 HG1 THR 16 3.369 10.383 9.660 106 1HG2 THR 16 1HG2 THR 16 2.010 9.590 12.046 107 2HG2 THR 16 2HG2 THR 16 0.275 9.592 11.753 108 3HG2 THR 16 3HG2 THR 16 1.140 11.119 11.948 109 H GLN 17 H GLN 17 2.024 6.486 10.705 110 HA GLN 17 HA GLN 17 4.836 6.878 11.135 111 1HB GLN 17 1HB GLN 17 3.040 4.528 11.764 112 2HB GLN 17 2HB GLN 17 4.754 4.536 12.106 113 1HG GLN 17 1HG GLN 17 3.534 4.983 14.138 114 2HG GLN 17 2HG GLN 17 4.414 6.426 13.658 115 1HE2 GLN 17 1HE2 GLN 17 1.323 4.926 13.945 116 2HE2 GLN 17 2HE2 GLN 17 0.382 6.375 13.869 117 H ARG 18 H ARG 18 6.442 5.911 10.040 118 HA ARG 18 HA ARG 18 5.571 5.222 7.394 119 1HB ARG 18 1HB ARG 18 8.370 5.710 8.360 120 2HB ARG 18 2HB ARG 18 7.806 5.543 6.699 121 1HG ARG 18 1HG ARG 18 6.334 7.506 7.079 122 2HG ARG 18 2HG ARG 18 7.174 7.743 8.614 123 1HD ARG 18 1HD ARG 18 8.426 7.558 5.941 124 2HD ARG 18 2HD ARG 18 8.051 9.083 6.742 125 HE ARG 18 HE ARG 18 9.577 7.994 8.583 126 1HH1 ARG 18 1HH1 ARG 18 10.182 7.832 5.076 127 2HH1 ARG 18 2HH1 ARG 18 11.857 7.914 5.200 128 1HH2 ARG 18 1HH2 ARG 18 11.934 8.113 8.755 129 2HH2 ARG 18 2HH2 ARG 18 12.892 8.106 7.346 130 H LEU 19 H LEU 19 6.468 3.544 6.192 131 HA LEU 19 HA LEU 19 7.755 1.360 7.613 132 1HB LEU 19 1HB LEU 19 5.621 1.108 5.458 133 2HB LEU 19 2HB LEU 19 6.611 -0.209 6.010 134 HG LEU 19 HG LEU 19 5.506 0.080 8.280 135 1HD1 LEU 19 1HD1 LEU 19 3.592 1.770 6.725 136 2HD1 LEU 19 2HD1 LEU 19 4.648 2.320 8.029 137 3HD1 LEU 19 3HD1 LEU 19 3.351 1.166 8.363 138 1HD2 LEU 19 1HD2 LEU 19 4.944 -1.714 6.764 139 2HD2 LEU 19 2HD2 LEU 19 3.780 -0.676 5.936 140 3HD2 LEU 19 3HD2 LEU 19 3.518 -1.136 7.622 141 HA PRO 20 HA PRO 20 10.539 2.119 4.194 142 1HB PRO 20 1HB PRO 20 11.981 -0.197 4.387 143 2HB PRO 20 2HB PRO 20 12.278 1.206 5.413 144 1HG PRO 20 1HG PRO 20 10.870 -1.329 6.040 145 2HG PRO 20 2HG PRO 20 11.846 -0.299 7.088 146 1HD PRO 20 1HD PRO 20 9.099 -0.361 7.121 147 2HD PRO 20 2HD PRO 20 10.072 1.024 7.648 148 H CYS 21 H CYS 21 10.760 1.510 2.145 149 HA CYS 21 HA CYS 21 8.527 0.279 1.019 150 1HB CYS 21 1HB CYS 21 11.182 0.889 -0.287 151 2HB CYS 21 2HB CYS 21 9.661 0.537 -1.097 152 H SER 22 H SER 22 11.389 -1.086 2.223 153 HA SER 22 HA SER 22 11.480 -3.430 0.649 154 1HB SER 22 1HB SER 22 13.417 -2.599 1.965 155 2HB SER 22 2HB SER 22 12.541 -2.954 3.452 156 HG SER 22 HG SER 22 13.281 -4.820 1.457 157 H ARG 23 H ARG 23 9.254 -2.416 3.077 158 HA ARG 23 HA ARG 23 8.578 -5.207 3.682 159 1HB ARG 23 1HB ARG 23 7.381 -2.715 4.894 160 2HB ARG 23 2HB ARG 23 7.121 -4.365 5.426 161 1HG ARG 23 1HG ARG 23 9.569 -4.480 5.942 162 2HG ARG 23 2HG ARG 23 9.632 -2.746 5.609 163 1HD ARG 23 1HD ARG 23 9.356 -2.978 7.977 164 2HD ARG 23 2HD ARG 23 7.812 -2.457 7.323 165 HE ARG 23 HE ARG 23 8.132 -5.299 7.536 166 1HH1 ARG 23 1HH1 ARG 23 6.933 -2.389 9.182 167 2HH1 ARG 23 2HH1 ARG 23 5.985 -3.247 10.298 168 1HH2 ARG 23 1HH2 ARG 23 6.872 -6.452 9.074 169 2HH2 ARG 23 2HH2 ARG 23 5.955 -5.622 10.258 170 H ILE 24 H ILE 24 7.882 -3.060 1.369 171 HA ILE 24 HA ILE 24 5.012 -3.404 1.350 172 HB ILE 24 HB ILE 24 6.756 -2.147 -0.797 173 1HG1 ILE 24 1HG1 ILE 24 6.920 -1.005 1.432 174 2HG1 ILE 24 2HG1 ILE 24 6.240 0.015 0.163 175 1HG2 ILE 24 1HG2 ILE 24 4.615 -2.937 -1.550 176 2HG2 ILE 24 2HG2 ILE 24 4.627 -1.158 -1.545 177 3HG2 ILE 24 3HG2 ILE 24 3.807 -2.068 -0.263 178 1HD1 ILE 24 1HD1 ILE 24 4.722 -1.396 2.361 179 2HD1 ILE 24 2HD1 ILE 24 4.041 -0.361 1.080 180 3HD1 ILE 24 3HD1 ILE 24 5.116 0.329 2.270 181 H LYS 25 H LYS 25 4.049 -5.045 0.433 182 HA LYS 25 HA LYS 25 5.539 -6.695 -1.477 183 1HB LYS 25 1HB LYS 25 4.420 -7.559 0.651 184 2HB LYS 25 2HB LYS 25 2.906 -7.255 -0.171 185 1HG LYS 25 1HG LYS 25 4.995 -9.097 -1.350 186 2HG LYS 25 2HG LYS 25 3.754 -9.679 -0.252 187 1HD LYS 25 1HD LYS 25 3.126 -8.160 -2.736 188 2HD LYS 25 2HD LYS 25 3.311 -9.934 -2.788 189 1HE LYS 25 1HE LYS 25 1.490 -9.996 -1.038 190 2HE LYS 25 2HE LYS 25 1.288 -8.262 -1.270 191 1HZ LYS 25 1HZ LYS 25 0.901 -10.374 -3.323 192 2HZ LYS 25 2HZ LYS 25 0.714 -8.749 -3.643 193 3HZ LYS 25 3HZ LYS 25 -0.313 -9.523 -2.566 194 H THR 26 H THR 26 2.469 -5.036 -0.927 195 HA THR 26 HA THR 26 2.330 -4.215 -3.649 196 HB THR 26 HB THR 26 1.297 -6.553 -3.702 197 HG1 THR 26 HG1 THR 26 0.602 -5.388 -5.286 198 1HG2 THR 26 1HG2 THR 26 0.225 -6.520 -1.503 199 2HG2 THR 26 2HG2 THR 26 -0.967 -6.820 -2.768 200 3HG2 THR 26 3HG2 THR 26 -0.843 -5.222 -2.032 201 H TYR 27 H TYR 27 0.326 -2.819 -3.907 202 HA TYR 27 HA TYR 27 -0.685 -1.800 -1.372 203 1HB TYR 27 1HB TYR 27 -0.257 0.541 -1.980 204 2HB TYR 27 2HB TYR 27 1.251 -0.275 -2.101 205 HD1 TYR 27 HD1 TYR 27 2.312 -0.638 -4.253 206 HD2 TYR 27 HD2 TYR 27 -1.448 1.278 -3.917 207 HE1 TYR 27 HE1 TYR 27 2.527 0.213 -6.567 208 HE2 TYR 27 HE2 TYR 27 -1.269 2.118 -6.143 209 HH TYR 27 HH TYR 27 0.569 2.629 -7.798 210 H THR 28 H THR 28 -2.607 -0.529 -1.735 211 HA THR 28 HA THR 28 -3.857 -0.767 -4.349 212 HB THR 28 HB THR 28 -5.248 -1.452 -1.765 213 HG1 THR 28 HG1 THR 28 -3.709 -2.948 -3.445 214 1HG2 THR 28 1HG2 THR 28 -6.735 -0.525 -3.479 215 2HG2 THR 28 2HG2 THR 28 -7.072 -2.240 -3.250 216 3HG2 THR 28 3HG2 THR 28 -6.143 -1.703 -4.649 217 H ILE 29 H ILE 29 -4.525 1.251 -4.853 218 HA ILE 29 HA ILE 29 -4.869 3.134 -2.660 219 HB ILE 29 HB ILE 29 -4.798 3.659 -5.654 220 1HG1 ILE 29 1HG1 ILE 29 -2.753 4.263 -3.489 221 2HG1 ILE 29 2HG1 ILE 29 -2.605 3.019 -4.714 222 1HG2 ILE 29 1HG2 ILE 29 -4.735 6.049 -5.065 223 2HG2 ILE 29 2HG2 ILE 29 -4.944 5.630 -3.365 224 3HG2 ILE 29 3HG2 ILE 29 -6.228 5.283 -4.522 225 1HD1 ILE 29 1HD1 ILE 29 -1.276 4.968 -5.266 226 2HD1 ILE 29 2HD1 ILE 29 -2.727 5.975 -5.196 227 3HD1 ILE 29 3HD1 ILE 29 -2.572 4.741 -6.447 228 H THR 30 H THR 30 -6.767 3.694 -1.959 229 HA THR 30 HA THR 30 -9.086 2.864 -3.520 230 HB THR 30 HB THR 30 -10.307 2.910 -1.305 231 HG1 THR 30 HG1 THR 30 -7.641 3.215 -0.345 232 1HG2 THR 30 1HG2 THR 30 -9.448 0.726 -0.548 233 2HG2 THR 30 2HG2 THR 30 -8.007 0.961 -1.533 234 3HG2 THR 30 3HG2 THR 30 -9.579 0.792 -2.307 235 H GLU 31 H GLU 31 -10.570 4.379 -4.047 236 HA GLU 31 HA GLU 31 -10.143 6.995 -2.893 237 1HB GLU 31 1HB GLU 31 -10.351 8.030 -5.136 238 2HB GLU 31 2HB GLU 31 -8.879 7.104 -4.891 239 1HG GLU 31 1HG GLU 31 -9.747 5.286 -6.189 240 2HG GLU 31 2HG GLU 31 -11.305 6.095 -6.346 241 H GLY 32 H GLY 32 -11.791 8.103 -2.481 242 1HA GLY 32 1HA GLY 32 -14.267 7.960 -3.898 243 2HA GLY 32 2HA GLY 32 -14.353 7.359 -2.235 244 H SER 33 H SER 33 -14.939 8.830 -0.845 245 HA SER 33 HA SER 33 -14.504 11.645 -1.345 246 1HB SER 33 1HB SER 33 -15.626 10.224 1.078 247 2HB SER 33 2HB SER 33 -15.739 11.957 0.749 248 HG SER 33 HG SER 33 -16.669 10.965 -1.363 249 H LEU 34 H LEU 34 -12.642 9.198 -0.278 250 HA LEU 34 HA LEU 34 -10.694 10.897 0.987 251 1HB LEU 34 1HB LEU 34 -12.177 10.135 2.849 252 2HB LEU 34 2HB LEU 34 -11.941 8.476 2.370 253 HG LEU 34 HG LEU 34 -9.814 10.272 3.469 254 1HD1 LEU 34 1HD1 LEU 34 -11.544 8.207 4.841 255 2HD1 LEU 34 2HD1 LEU 34 -11.586 9.950 5.117 256 3HD1 LEU 34 3HD1 LEU 34 -10.165 9.012 5.583 257 1HD2 LEU 34 1HD2 LEU 34 -8.617 8.172 3.956 258 2HD2 LEU 34 2HD2 LEU 34 -8.912 8.348 2.226 259 3HD2 LEU 34 3HD2 LEU 34 -9.915 7.260 3.189 260 H ARG 35 H ARG 35 -8.682 10.154 0.263 261 HA ARG 35 HA ARG 35 -8.686 7.535 -1.049 262 1HB ARG 35 1HB ARG 35 -6.769 9.843 -1.428 263 2HB ARG 35 2HB ARG 35 -6.569 8.254 -2.143 264 1HG ARG 35 1HG ARG 35 -8.690 8.533 -3.300 265 2HG ARG 35 2HG ARG 35 -8.809 10.190 -2.690 266 1HD ARG 35 1HD ARG 35 -6.646 9.042 -4.467 267 2HD ARG 35 2HD ARG 35 -7.910 10.159 -4.965 268 HE ARG 35 HE ARG 35 -6.465 11.334 -2.885 269 1HH1 ARG 35 1HH1 ARG 35 -5.952 10.365 -6.263 270 2HH1 ARG 35 2HH1 ARG 35 -4.767 11.557 -6.565 271 1HH2 ARG 35 1HH2 ARG 35 -4.811 12.931 -3.304 272 2HH2 ARG 35 2HH2 ARG 35 -4.091 13.054 -4.841 273 H ALA 36 H ALA 36 -7.532 5.974 -0.379 274 HA ALA 36 HA ALA 36 -5.543 6.444 1.724 275 1HB ALA 36 1HB ALA 36 -6.357 4.490 2.891 276 2HB ALA 36 2HB ALA 36 -7.648 4.302 1.705 277 3HB ALA 36 3HB ALA 36 -7.632 5.714 2.771 278 H VAL 37 H VAL 37 -3.664 5.381 1.318 279 HA VAL 37 HA VAL 37 -3.684 3.437 -0.830 280 HB VAL 37 HB VAL 37 -1.334 4.548 0.697 281 1HG1 VAL 37 1HG1 VAL 37 -1.529 3.178 -1.973 282 2HG1 VAL 37 2HG1 VAL 37 -0.900 2.488 -0.477 283 3HG1 VAL 37 3HG1 VAL 37 -0.053 3.826 -1.254 284 1HG2 VAL 37 1HG2 VAL 37 -2.468 5.567 -1.903 285 2HG2 VAL 37 2HG2 VAL 37 -0.982 6.137 -1.103 286 3HG2 VAL 37 3HG2 VAL 37 -2.552 6.365 -0.338 287 H ILE 38 H ILE 38 -3.966 1.461 -0.185 288 HA ILE 38 HA ILE 38 -3.342 0.772 2.558 289 HB ILE 38 HB ILE 38 -4.971 -0.686 0.456 290 1HG1 ILE 38 1HG1 ILE 38 -5.835 0.859 2.911 291 2HG1 ILE 38 2HG1 ILE 38 -5.946 1.447 1.258 292 1HG2 ILE 38 1HG2 ILE 38 -4.592 -1.300 3.393 293 2HG2 ILE 38 2HG2 ILE 38 -3.957 -2.248 2.049 294 3HG2 ILE 38 3HG2 ILE 38 -5.699 -2.139 2.304 295 1HD1 ILE 38 1HD1 ILE 38 -7.524 -0.352 0.753 296 2HD1 ILE 38 2HD1 ILE 38 -8.088 0.684 2.051 297 3HD1 ILE 38 3HD1 ILE 38 -7.403 -0.908 2.425 298 H PHE 39 H PHE 39 -1.476 -0.069 2.887 299 HA PHE 39 HA PHE 39 -0.077 -1.431 0.732 300 1HB PHE 39 1HB PHE 39 0.897 -0.222 3.291 301 2HB PHE 39 2HB PHE 39 1.886 -1.320 2.338 302 HD1 PHE 39 HD1 PHE 39 0.884 2.040 2.798 303 HD2 PHE 39 HD2 PHE 39 2.185 -0.774 -0.081 304 HE1 PHE 39 HE1 PHE 39 1.582 3.862 1.327 305 HE2 PHE 39 HE2 PHE 39 2.890 1.028 -1.561 306 HZ PHE 39 HZ PHE 39 2.600 3.288 -0.925 307 H ILE 40 H ILE 40 0.358 -3.461 0.756 308 HA ILE 40 HA ILE 40 -0.438 -4.897 3.170 309 HB ILE 40 HB ILE 40 -0.018 -6.166 0.461 310 1HG1 ILE 40 1HG1 ILE 40 -1.740 -4.431 0.160 311 2HG1 ILE 40 2HG1 ILE 40 -2.426 -6.038 0.059 312 1HG2 ILE 40 1HG2 ILE 40 -1.516 -7.882 1.465 313 2HG2 ILE 40 2HG2 ILE 40 -1.604 -6.854 2.914 314 3HG2 ILE 40 3HG2 ILE 40 -0.071 -7.594 2.463 315 1HD1 ILE 40 1HD1 ILE 40 -2.592 -4.198 2.458 316 2HD1 ILE 40 2HD1 ILE 40 -3.239 -5.830 2.351 317 3HD1 ILE 40 3HD1 ILE 40 -3.900 -4.558 1.318 318 H THR 41 H THR 41 1.178 -5.657 4.280 319 HA THR 41 HA THR 41 3.857 -5.370 3.338 320 HB THR 41 HB THR 41 4.447 -6.403 5.554 321 HG1 THR 41 HG1 THR 41 1.959 -6.076 6.580 322 1HG2 THR 41 1HG2 THR 41 2.504 -4.083 5.635 323 2HG2 THR 41 2HG2 THR 41 4.233 -3.968 5.311 324 3HG2 THR 41 3HG2 THR 41 3.665 -4.491 6.898 325 H LYS 42 H LYS 42 5.407 -7.258 3.679 326 HA LYS 42 HA LYS 42 4.606 -9.401 1.996 327 1HB LYS 42 1HB LYS 42 7.096 -9.114 3.691 328 2HB LYS 42 2HB LYS 42 6.846 -10.318 2.438 329 1HG LYS 42 1HG LYS 42 6.706 -8.593 0.746 330 2HG LYS 42 2HG LYS 42 6.876 -7.345 1.980 331 1HD LYS 42 1HD LYS 42 9.105 -8.220 2.536 332 2HD LYS 42 2HD LYS 42 8.904 -9.459 1.300 333 1HE LYS 42 1HE LYS 42 8.778 -7.775 -0.425 334 2HE LYS 42 2HE LYS 42 8.856 -6.498 0.784 335 1HZ LYS 42 1HZ LYS 42 11.012 -6.883 -0.268 336 2HZ LYS 42 2HZ LYS 42 11.036 -8.473 0.291 337 3HZ LYS 42 3HZ LYS 42 11.058 -7.189 1.380 338 H ARG 43 H ARG 43 4.131 -8.830 5.207 339 HA ARG 43 HA ARG 43 4.072 -11.588 6.098 340 1HB ARG 43 1HB ARG 43 3.086 -9.070 7.447 341 2HB ARG 43 2HB ARG 43 3.174 -10.652 8.194 342 1HG ARG 43 1HG ARG 43 5.616 -10.615 7.946 343 2HG ARG 43 2HG ARG 43 5.503 -9.003 7.231 344 1HD ARG 43 1HD ARG 43 6.054 -8.851 9.604 345 2HD ARG 43 2HD ARG 43 4.459 -8.169 9.287 346 HE ARG 43 HE ARG 43 4.528 -10.954 10.098 347 1HH1 ARG 43 1HH1 ARG 43 4.029 -7.590 11.184 348 2HH1 ARG 43 2HH1 ARG 43 3.222 -8.061 12.592 349 1HH2 ARG 43 1HH2 ARG 43 3.455 -11.535 12.013 350 2HH2 ARG 43 2HH2 ARG 43 2.892 -10.355 13.108 351 H GLY 44 H GLY 44 2.017 -9.457 4.428 352 1HA GLY 44 1HA GLY 44 -0.030 -10.087 3.461 353 2HA GLY 44 2HA GLY 44 -0.180 -11.368 4.658 354 H LEU 45 H LEU 45 0.696 -8.356 5.919 355 HA LEU 45 HA LEU 45 -1.994 -8.020 7.080 356 1HB LEU 45 1HB LEU 45 0.633 -6.766 7.819 357 2HB LEU 45 2HB LEU 45 -0.896 -6.507 8.634 358 HG LEU 45 HG LEU 45 0.571 -9.112 8.470 359 1HD1 LEU 45 1HD1 LEU 45 0.171 -7.155 10.697 360 2HD1 LEU 45 2HD1 LEU 45 1.692 -7.471 9.851 361 3HD1 LEU 45 3HD1 LEU 45 0.958 -8.727 10.865 362 1HD2 LEU 45 1HD2 LEU 45 -1.056 -9.858 10.149 363 2HD2 LEU 45 2HD2 LEU 45 -1.822 -9.451 8.618 364 3HD2 LEU 45 3HD2 LEU 45 -1.917 -8.330 9.980 365 H LYS 46 H LYS 46 -2.964 -6.158 7.178 366 HA LYS 46 HA LYS 46 -2.574 -4.584 4.752 367 1HB LYS 46 1HB LYS 46 -4.945 -4.947 6.550 368 2HB LYS 46 2HB LYS 46 -4.914 -4.016 5.052 369 1HG LYS 46 1HG LYS 46 -4.541 -5.919 3.748 370 2HG LYS 46 2HG LYS 46 -4.187 -6.910 5.165 371 1HD LYS 46 1HD LYS 46 -6.358 -7.390 4.259 372 2HD LYS 46 2HD LYS 46 -6.455 -6.680 5.873 373 1HE LYS 46 1HE LYS 46 -7.040 -4.516 4.941 374 2HE LYS 46 2HE LYS 46 -6.812 -5.120 3.298 375 1HZ LYS 46 1HZ LYS 46 -9.182 -5.028 3.915 376 2HZ LYS 46 2HZ LYS 46 -8.916 -6.091 5.188 377 3HZ LYS 46 3HZ LYS 46 -8.651 -6.585 3.599 378 H VAL 47 H VAL 47 -1.701 -2.771 4.988 379 HA VAL 47 HA VAL 47 -2.022 -1.240 7.488 380 HB VAL 47 HB VAL 47 0.199 -0.980 5.426 381 1HG1 VAL 47 1HG1 VAL 47 1.359 0.383 7.101 382 2HG1 VAL 47 2HG1 VAL 47 -0.042 0.257 8.165 383 3HG1 VAL 47 3HG1 VAL 47 -0.182 1.104 6.627 384 1HG2 VAL 47 1HG2 VAL 47 0.267 -2.307 8.133 385 2HG2 VAL 47 2HG2 VAL 47 1.660 -2.054 7.080 386 3HG2 VAL 47 3HG2 VAL 47 0.350 -3.117 6.570 387 H CYS 48 H CYS 48 -2.520 1.080 7.260 388 HA CYS 48 HA CYS 48 -3.480 1.755 4.557 389 1HB CYS 48 1HB CYS 48 -4.625 2.694 7.184 390 2HB CYS 48 2HB CYS 48 -5.290 2.938 5.578 391 H ALA 49 H ALA 49 -2.553 3.596 3.764 392 HA ALA 49 HA ALA 49 -1.258 5.411 5.657 393 1HB ALA 49 1HB ALA 49 0.690 5.482 4.206 394 2HB ALA 49 2HB ALA 49 -0.075 4.287 3.143 395 3HB ALA 49 3HB ALA 49 0.378 3.841 4.784 396 H ASP 50 H ASP 50 -1.001 7.535 4.922 397 HA ASP 50 HA ASP 50 -3.082 8.425 3.156 398 1HB ASP 50 1HB ASP 50 -2.606 9.665 5.214 399 2HB ASP 50 2HB ASP 50 -0.960 9.949 4.671 400 HA PRO 51 HA PRO 51 -0.544 8.327 -0.522 401 1HB PRO 51 1HB PRO 51 -2.145 9.903 -2.080 402 2HB PRO 51 2HB PRO 51 -2.469 8.198 -1.753 403 1HG PRO 51 1HG PRO 51 -3.624 10.634 -0.467 404 2HG PRO 51 2HG PRO 51 -4.444 9.145 -0.968 405 1HD PRO 51 1HD PRO 51 -3.810 9.621 1.596 406 2HD PRO 51 2HD PRO 51 -3.744 7.982 0.914 407 H GLN 52 H GLN 52 -1.258 11.252 1.223 408 HA GLN 52 HA GLN 52 0.265 12.865 -0.633 409 1HB GLN 52 1HB GLN 52 -1.107 13.611 1.953 410 2HB GLN 52 2HB GLN 52 -0.384 14.741 0.813 411 1HG GLN 52 1HG GLN 52 -2.716 12.923 0.220 412 2HG GLN 52 2HG GLN 52 -2.840 14.635 0.621 413 1HE2 GLN 52 1HE2 GLN 52 -2.233 16.131 -0.888 414 2HE2 GLN 52 2HE2 GLN 52 -1.978 15.766 -2.556 415 H ALA 53 H ALA 53 0.771 10.905 2.027 416 HA ALA 53 HA ALA 53 2.990 12.240 3.245 417 1HB ALA 53 1HB ALA 53 3.455 10.090 4.276 418 2HB ALA 53 2HB ALA 53 2.320 9.302 3.180 419 3HB ALA 53 3HB ALA 53 1.732 10.451 4.382 420 H THR 54 H THR 54 5.040 12.281 2.785 421 HA THR 54 HA THR 54 5.830 11.908 0.118 422 HB THR 54 HB THR 54 7.627 12.243 2.538 423 HG1 THR 54 HG1 THR 54 5.752 13.833 1.850 424 1HG2 THR 54 1HG2 THR 54 8.023 12.944 -0.384 425 2HG2 THR 54 2HG2 THR 54 8.804 11.618 0.479 426 3HG2 THR 54 3HG2 THR 54 9.163 13.286 0.921 427 H TRP 55 H TRP 55 6.116 9.861 2.922 428 HA TRP 55 HA TRP 55 8.024 8.110 1.675 429 1HB TRP 55 1HB TRP 55 7.772 6.631 3.556 430 2HB TRP 55 2HB TRP 55 7.844 8.284 4.120 431 HD1 TRP 55 HD1 TRP 55 5.558 9.290 5.066 432 HE1 TRP 55 HE1 TRP 55 3.568 8.154 6.235 433 HE3 TRP 55 HE3 TRP 55 6.371 4.562 3.492 434 HZ2 TRP 55 HZ2 TRP 55 2.527 5.645 6.449 435 HZ3 TRP 55 HZ3 TRP 55 4.797 2.793 4.206 436 HH2 TRP 55 HH2 TRP 55 2.900 3.323 5.653 437 H VAL 56 H VAL 56 4.597 8.231 1.921 438 HA VAL 56 HA VAL 56 4.094 5.665 0.861 439 HB VAL 56 HB VAL 56 2.389 8.164 0.957 440 1HG1 VAL 56 1HG1 VAL 56 0.478 6.666 0.434 441 2HG1 VAL 56 2HG1 VAL 56 1.621 5.359 0.097 442 3HG1 VAL 56 3HG1 VAL 56 1.617 6.806 -0.898 443 1HG2 VAL 56 1HG2 VAL 56 2.336 5.626 2.556 444 2HG2 VAL 56 2HG2 VAL 56 1.217 6.983 2.721 445 3HG2 VAL 56 3HG2 VAL 56 2.930 7.192 3.100 446 H ARG 57 H ARG 57 4.234 8.874 -0.548 447 HA ARG 57 HA ARG 57 3.874 8.069 -3.202 448 1HB ARG 57 1HB ARG 57 5.431 10.400 -2.110 449 2HB ARG 57 2HB ARG 57 5.040 10.179 -3.812 450 1HG ARG 57 1HG ARG 57 2.699 10.172 -3.258 451 2HG ARG 57 2HG ARG 57 3.090 10.461 -1.562 452 1HD ARG 57 1HD ARG 57 4.152 12.557 -2.146 453 2HD ARG 57 2HD ARG 57 3.820 12.274 -3.857 454 HE ARG 57 HE ARG 57 1.429 12.089 -2.523 455 1HH1 ARG 57 1HH1 ARG 57 3.867 14.608 -3.112 456 2HH1 ARG 57 2HH1 ARG 57 2.739 15.879 -3.110 457 1HH2 ARG 57 1HH2 ARG 57 -0.102 13.883 -2.547 458 2HH2 ARG 57 2HH2 ARG 57 0.490 15.459 -2.774 459 H ASP 58 H ASP 58 6.616 8.078 -1.171 460 HA ASP 58 HA ASP 58 8.555 7.585 -3.182 461 1HB ASP 58 1HB ASP 58 9.159 8.412 -0.938 462 2HB ASP 58 2HB ASP 58 8.664 6.873 -0.245 463 H CYS 59 H CYS 59 6.716 5.364 -1.060 464 HA CYS 59 HA CYS 59 7.970 3.087 -2.338 465 1HB CYS 59 1HB CYS 59 5.676 3.113 -0.411 466 2HB CYS 59 2HB CYS 59 6.553 1.746 -1.043 467 H VAL 60 H VAL 60 4.732 4.581 -2.359 468 HA VAL 60 HA VAL 60 3.444 2.483 -3.732 469 HB VAL 60 HB VAL 60 2.379 4.489 -2.409 470 1HG1 VAL 60 1HG1 VAL 60 3.354 6.294 -3.695 471 2HG1 VAL 60 2HG1 VAL 60 1.567 6.321 -3.737 472 3HG1 VAL 60 3HG1 VAL 60 2.474 5.700 -5.116 473 1HG2 VAL 60 1HG2 VAL 60 1.137 3.620 -4.986 474 2HG2 VAL 60 2HG2 VAL 60 0.297 4.358 -3.612 475 3HG2 VAL 60 3HG2 VAL 60 1.059 2.783 -3.439 476 H ARG 61 H ARG 61 5.417 5.028 -4.688 477 HA ARG 61 HA ARG 61 4.640 4.758 -7.512 478 1HB ARG 61 1HB ARG 61 6.650 6.674 -6.322 479 2HB ARG 61 2HB ARG 61 6.295 6.559 -8.037 480 1HG ARG 61 1HG ARG 61 3.950 7.194 -7.558 481 2HG ARG 61 2HG ARG 61 4.388 7.385 -5.859 482 1HD ARG 61 1HD ARG 61 5.566 8.920 -8.180 483 2HD ARG 61 2HD ARG 61 4.408 9.542 -7.003 484 HE ARG 61 HE ARG 61 6.578 8.574 -5.593 485 1HH1 ARG 61 1HH1 ARG 61 5.917 11.207 -7.884 486 2HH1 ARG 61 2HH1 ARG 61 7.151 12.219 -7.295 487 1HH2 ARG 61 1HH2 ARG 61 8.309 10.011 -4.790 488 2HH2 ARG 61 2HH2 ARG 61 8.541 11.518 -5.506 489 H SER 62 H SER 62 7.336 4.057 -5.397 490 HA SER 62 HA SER 62 9.094 3.192 -7.372 491 1HB SER 62 1HB SER 62 9.745 3.550 -5.004 492 2HB SER 62 2HB SER 62 8.793 2.148 -4.535 493 HG SER 62 HG SER 62 11.094 1.858 -4.849 494 H MET 63 H MET 63 6.546 1.513 -5.578 495 HA MET 63 HA MET 63 6.903 -1.039 -6.669 496 1HB MET 63 1HB MET 63 4.392 0.288 -5.670 497 2HB MET 63 2HB MET 63 4.469 -1.412 -6.107 498 1HG MET 63 1HG MET 63 6.056 -0.059 -3.931 499 2HG MET 63 2HG MET 63 4.631 -1.074 -3.712 500 1HE MET 63 1HE MET 63 4.562 -3.670 -4.182 501 2HE MET 63 2HE MET 63 5.922 -4.590 -4.816 502 3HE MET 63 3HE MET 63 5.109 -3.408 -5.840 503 H ASP 64 H ASP 64 5.042 1.687 -7.866 504 HA ASP 64 HA ASP 64 3.955 0.352 -10.134 505 1HB ASP 64 1HB ASP 64 2.918 2.402 -9.418 506 2HB ASP 64 2HB ASP 64 4.438 3.275 -9.554 507 H ARG 65 H ARG 65 6.757 2.326 -9.596 508 HA ARG 65 HA ARG 65 7.699 2.415 -12.228 509 1HB ARG 65 1HB ARG 65 8.274 3.961 -10.360 510 2HB ARG 65 2HB ARG 65 9.256 2.688 -9.666 511 1HG ARG 65 1HG ARG 65 10.687 2.718 -11.623 512 2HG ARG 65 2HG ARG 65 9.688 3.985 -12.339 513 1HD ARG 65 1HD ARG 65 10.157 5.441 -10.421 514 2HD ARG 65 2HD ARG 65 11.190 4.185 -9.738 515 HE ARG 65 HE ARG 65 12.072 4.757 -12.311 516 1HH1 ARG 65 1HH1 ARG 65 11.927 6.337 -9.126 517 2HH1 ARG 65 2HH1 ARG 65 13.284 7.318 -9.419 518 1HH2 ARG 65 1HH2 ARG 65 13.935 6.110 -12.668 519 2HH2 ARG 65 2HH2 ARG 65 14.441 7.195 -11.473 520 H LYS 66 H LYS 66 8.057 0.041 -9.694 521 HA LYS 66 HA LYS 66 10.190 -1.490 -10.729 522 1HB LYS 66 1HB LYS 66 7.773 -2.436 -9.169 523 2HB LYS 66 2HB LYS 66 9.196 -3.412 -9.490 524 1HG LYS 66 1HG LYS 66 10.556 -1.894 -8.181 525 2HG LYS 66 2HG LYS 66 9.168 -0.838 -7.927 526 1HD LYS 66 1HD LYS 66 9.518 -2.177 -5.952 527 2HD LYS 66 2HD LYS 66 8.041 -2.701 -6.744 528 1HE LYS 66 1HE LYS 66 9.195 -4.603 -7.713 529 2HE LYS 66 2HE LYS 66 10.718 -4.064 -7.002 530 1HZ LYS 66 1HZ LYS 66 8.291 -4.906 -5.518 531 2HZ LYS 66 2HZ LYS 66 9.698 -4.344 -4.804 532 3HZ LYS 66 3HZ LYS 66 9.712 -5.790 -5.665 533 H SER 67 H SER 67 6.878 -1.204 -11.721 534 HA SER 67 HA SER 67 6.856 -3.597 -13.308 535 1HB SER 67 1HB SER 67 4.764 -2.741 -12.360 536 2HB SER 67 2HB SER 67 4.974 -1.224 -13.233 537 HG SER 67 HG SER 67 5.157 -3.012 -15.060 538 H ASN 68 H ASN 68 8.012 -0.438 -13.638 539 HA ASN 68 HA ASN 68 7.957 -0.511 -16.556 540 1HB ASN 68 1HB ASN 68 7.116 1.519 -15.424 541 2HB ASN 68 2HB ASN 68 8.665 1.703 -14.617 542 1HD2 ASN 68 1HD2 ASN 68 9.120 3.658 -15.483 543 2HD2 ASN 68 2HD2 ASN 68 9.474 3.891 -17.149 544 H THR 69 H THR 69 9.998 -0.095 -17.649 545 HA THR 69 HA THR 69 12.155 -1.455 -16.434 546 HB THR 69 HB THR 69 13.401 -0.710 -18.434 547 HG1 THR 69 HG1 THR 69 11.766 1.087 -18.789 548 1HG2 THR 69 1HG2 THR 69 10.832 -2.227 -18.806 549 2HG2 THR 69 2HG2 THR 69 12.374 -2.862 -18.236 550 3HG2 THR 69 3HG2 THR 69 12.222 -2.282 -19.902 551 H ARG 70 H ARG 70 13.610 -0.764 -15.139 552 HA ARG 70 HA ARG 70 14.649 1.827 -15.604 553 1HB ARG 70 1HB ARG 70 14.807 2.379 -13.158 554 2HB ARG 70 2HB ARG 70 13.182 2.395 -13.808 555 1HG ARG 70 1HG ARG 70 12.674 0.312 -12.729 556 2HG ARG 70 2HG ARG 70 14.350 0.112 -12.207 557 1HD ARG 70 1HD ARG 70 14.207 2.066 -10.825 558 2HD ARG 70 2HD ARG 70 12.586 2.434 -11.401 559 HE ARG 70 HE ARG 70 12.626 -0.120 -10.253 560 1HH1 ARG 70 1HH1 ARG 70 13.074 3.250 -9.182 561 2HH1 ARG 70 2HH1 ARG 70 12.388 2.999 -7.653 562 1HH2 ARG 70 1HH2 ARG 70 11.699 -0.434 -8.139 563 2HH2 ARG 70 2HH2 ARG 70 11.560 0.862 -7.040 564 H ASN 71 H ASN 71 16.782 1.832 -15.629 565 HA ASN 71 HA ASN 71 18.089 -0.677 -14.994 566 1HB ASN 71 1HB ASN 71 18.488 0.421 -17.207 567 2HB ASN 71 2HB ASN 71 19.251 1.764 -16.362 568 1HD2 ASN 71 1HD2 ASN 71 21.240 1.406 -17.395 569 2HD2 ASN 71 2HD2 ASN 71 22.248 0.075 -16.984 570 H ASN 72 H ASN 72 19.422 -0.973 -13.374 571 HA ASN 72 HA ASN 72 19.792 1.202 -11.491 572 1HB ASN 72 1HB ASN 72 20.642 -0.564 -9.945 573 2HB ASN 72 2HB ASN 72 19.019 -0.893 -10.516 574 1HD2 ASN 72 1HD2 ASN 72 19.179 -3.054 -10.072 575 2HD2 ASN 72 2HD2 ASN 72 20.153 -4.149 -10.979 576 H MET 73 H MET 73 22.097 0.882 -10.298 577 HA MET 73 HA MET 73 23.987 1.645 -12.293 578 1HB MET 73 1HB MET 73 24.034 2.659 -10.074 579 2HB MET 73 2HB MET 73 24.358 1.098 -9.338 580 1HG MET 73 1HG MET 73 26.495 0.994 -10.542 581 2HG MET 73 2HG MET 73 26.177 2.586 -11.227 582 1HE MET 73 1HE MET 73 24.823 4.088 -8.730 583 2HE MET 73 2HE MET 73 26.044 4.819 -9.772 584 3HE MET 73 3HE MET 73 26.243 4.859 -8.023 585 H ILE 74 H ILE 74 24.775 0.186 -13.592 586 HA ILE 74 HA ILE 74 24.843 -2.571 -13.134 587 HB ILE 74 HB ILE 74 26.441 -0.964 -15.151 588 1HG1 ILE 74 1HG1 ILE 74 24.031 -0.629 -15.414 589 2HG1 ILE 74 2HG1 ILE 74 24.663 -1.585 -16.744 590 1HG2 ILE 74 1HG2 ILE 74 26.609 -3.067 -16.420 591 2HG2 ILE 74 2HG2 ILE 74 25.823 -3.920 -15.091 592 3HG2 ILE 74 3HG2 ILE 74 27.403 -3.176 -14.849 593 1HD1 ILE 74 1HD1 ILE 74 22.532 -2.443 -16.006 594 2HD1 ILE 74 2HD1 ILE 74 23.135 -2.623 -14.363 595 3HD1 ILE 74 3HD1 ILE 74 23.799 -3.623 -15.657 596 H GLN 75 H GLN 75 26.034 -3.622 -11.821 597 HA GLN 75 HA GLN 75 28.767 -2.735 -11.299 598 1HB GLN 75 1HB GLN 75 27.279 -2.123 -9.462 599 2HB GLN 75 2HB GLN 75 26.715 -3.779 -9.347 600 1HG GLN 75 1HG GLN 75 28.930 -4.491 -8.630 601 2HG GLN 75 2HG GLN 75 29.520 -2.833 -8.790 602 1HE2 GLN 75 1HE2 GLN 75 29.345 -4.562 -6.419 603 2HE2 GLN 75 2HE2 GLN 75 28.389 -3.678 -5.287 Start of MODEL 11 1 1H GLY 2 1H GLY 2 -10.116 -4.970 13.392 2 1HA GLY 2 1HA GLY 2 -10.967 -7.715 12.869 3 2HA GLY 2 2HA GLY 2 -12.007 -6.292 12.868 4 H SER 3 H SER 3 -10.764 -8.482 10.905 5 HA SER 3 HA SER 3 -10.016 -6.724 8.773 6 1HB SER 3 1HB SER 3 -10.308 -9.733 8.857 7 2HB SER 3 2HB SER 3 -9.608 -8.773 7.545 8 HG SER 3 HG SER 3 -8.322 -7.913 9.447 9 H GLU 4 H GLU 4 -11.697 -5.619 8.132 10 HA GLU 4 HA GLU 4 -14.332 -6.657 7.937 11 1HB GLU 4 1HB GLU 4 -13.161 -4.105 6.821 12 2HB GLU 4 2HB GLU 4 -14.875 -4.482 6.939 13 1HG GLU 4 1HG GLU 4 -12.976 -4.175 9.256 14 2HG GLU 4 2HG GLU 4 -14.150 -2.977 8.718 15 H VAL 5 H VAL 5 -14.752 -8.141 6.462 16 HA VAL 5 HA VAL 5 -13.508 -7.963 3.836 17 HB VAL 5 HB VAL 5 -15.303 -10.167 4.941 18 1HG1 VAL 5 1HG1 VAL 5 -13.434 -10.188 2.577 19 2HG1 VAL 5 2HG1 VAL 5 -15.190 -10.144 2.505 20 3HG1 VAL 5 3HG1 VAL 5 -14.373 -11.559 3.170 21 1HG2 VAL 5 1HG2 VAL 5 -12.290 -10.046 4.872 22 2HG2 VAL 5 2HG2 VAL 5 -13.249 -11.443 5.356 23 3HG2 VAL 5 3HG2 VAL 5 -13.302 -9.963 6.314 24 H SER 6 H SER 6 -16.169 -6.875 5.429 25 HA SER 6 HA SER 6 -18.326 -7.108 3.710 26 1HB SER 6 1HB SER 6 -19.019 -4.921 4.797 27 2HB SER 6 2HB SER 6 -18.616 -6.228 5.910 28 HG SER 6 HG SER 6 -17.476 -4.587 6.701 29 H ASP 7 H ASP 7 -16.144 -4.388 3.946 30 HA ASP 7 HA ASP 7 -16.490 -3.919 1.050 31 1HB ASP 7 1HB ASP 7 -15.567 -1.970 3.192 32 2HB ASP 7 2HB ASP 7 -15.549 -1.624 1.473 33 H LYS 8 H LYS 8 -14.914 -4.976 0.038 34 HA LYS 8 HA LYS 8 -12.475 -5.522 1.299 35 1HB LYS 8 1HB LYS 8 -11.687 -6.321 -1.029 36 2HB LYS 8 2HB LYS 8 -13.141 -7.128 -0.427 37 1HG LYS 8 1HG LYS 8 -13.381 -6.786 -2.670 38 2HG LYS 8 2HG LYS 8 -14.303 -5.469 -1.945 39 1HD LYS 8 1HD LYS 8 -12.508 -3.933 -2.323 40 2HD LYS 8 2HD LYS 8 -11.463 -5.242 -2.884 41 1HE LYS 8 1HE LYS 8 -12.326 -4.088 -4.774 42 2HE LYS 8 2HE LYS 8 -12.981 -5.735 -4.549 43 1HZ LYS 8 1HZ LYS 8 -14.456 -3.291 -3.734 44 2HZ LYS 8 2HZ LYS 8 -15.049 -4.864 -3.768 45 3HZ LYS 8 3HZ LYS 8 -14.714 -4.058 -5.204 46 H ARG 9 H ARG 9 -10.513 -4.744 1.171 47 HA ARG 9 HA ARG 9 -8.972 -3.175 1.281 48 1HB ARG 9 1HB ARG 9 -10.035 -2.293 -1.413 49 2HB ARG 9 2HB ARG 9 -8.521 -1.751 -0.709 50 1HG ARG 9 1HG ARG 9 -9.214 -4.568 -1.531 51 2HG ARG 9 2HG ARG 9 -8.112 -3.466 -2.359 52 1HD ARG 9 1HD ARG 9 -6.662 -3.453 -0.379 53 2HD ARG 9 2HD ARG 9 -7.756 -4.576 0.426 54 HE ARG 9 HE ARG 9 -6.525 -5.318 -2.115 55 1HH1 ARG 9 1HH1 ARG 9 -6.975 -5.953 1.349 56 2HH1 ARG 9 2HH1 ARG 9 -6.016 -7.346 1.379 57 1HH2 ARG 9 1HH2 ARG 9 -5.199 -7.275 -2.084 58 2HH2 ARG 9 2HH2 ARG 9 -4.993 -8.122 -0.626 59 H THR 10 H THR 10 -10.137 -2.392 3.111 60 HA THR 10 HA THR 10 -10.518 0.453 2.785 61 HB THR 10 HB THR 10 -12.855 -0.575 2.781 62 HG1 THR 10 HG1 THR 10 -13.020 1.405 3.575 63 1HG2 THR 10 1HG2 THR 10 -12.418 -2.486 4.237 64 2HG2 THR 10 2HG2 THR 10 -13.675 -1.473 4.977 65 3HG2 THR 10 3HG2 THR 10 -11.998 -1.390 5.543 66 H CYS 11 H CYS 11 -10.296 1.533 4.931 67 HA CYS 11 HA CYS 11 -9.059 -0.064 6.986 68 1HB CYS 11 1HB CYS 11 -7.286 0.346 5.399 69 2HB CYS 11 2HB CYS 11 -7.580 2.081 5.472 70 H VAL 12 H VAL 12 -8.697 1.220 8.934 71 HA VAL 12 HA VAL 12 -10.832 3.148 9.144 72 HB VAL 12 HB VAL 12 -10.608 2.932 11.605 73 1HG1 VAL 12 1HG1 VAL 12 -10.870 0.333 10.105 74 2HG1 VAL 12 2HG1 VAL 12 -12.159 1.500 10.402 75 3HG1 VAL 12 3HG1 VAL 12 -11.432 0.624 11.749 76 1HG2 VAL 12 1HG2 VAL 12 -8.507 0.866 10.932 77 2HG2 VAL 12 2HG2 VAL 12 -9.181 1.161 12.536 78 3HG2 VAL 12 3HG2 VAL 12 -8.229 2.410 11.734 79 H SER 13 H SER 13 -7.298 3.218 9.625 80 HA SER 13 HA SER 13 -7.523 6.114 9.725 81 1HB SER 13 1HB SER 13 -6.156 4.548 11.904 82 2HB SER 13 2HB SER 13 -6.155 6.307 11.725 83 HG SER 13 HG SER 13 -8.660 5.601 11.614 84 H LEU 14 H LEU 14 -6.036 7.001 8.507 85 HA LEU 14 HA LEU 14 -4.114 5.413 7.170 86 1HB LEU 14 1HB LEU 14 -4.416 8.402 7.208 87 2HB LEU 14 2HB LEU 14 -3.450 7.478 6.077 88 HG LEU 14 HG LEU 14 -6.417 7.404 6.367 89 1HD1 LEU 14 1HD1 LEU 14 -4.659 8.458 4.149 90 2HD1 LEU 14 2HD1 LEU 14 -5.628 9.424 5.265 91 3HD1 LEU 14 3HD1 LEU 14 -6.420 8.368 4.098 92 1HD2 LEU 14 1HD2 LEU 14 -4.632 5.880 4.487 93 2HD2 LEU 14 2HD2 LEU 14 -6.398 5.949 4.411 94 3HD2 LEU 14 3HD2 LEU 14 -5.609 5.222 5.805 95 H THR 15 H THR 15 -2.116 5.065 7.526 96 HA THR 15 HA THR 15 -0.903 5.978 9.902 97 HB THR 15 HB THR 15 0.135 4.235 7.660 98 HG1 THR 15 HG1 THR 15 -1.572 3.123 8.419 99 1HG2 THR 15 1HG2 THR 15 0.890 4.511 10.546 100 2HG2 THR 15 2HG2 THR 15 1.811 5.124 9.162 101 3HG2 THR 15 3HG2 THR 15 1.606 3.373 9.393 102 H THR 16 H THR 16 0.110 7.908 9.850 103 HA THR 16 HA THR 16 1.278 8.852 7.359 104 HB THR 16 HB THR 16 -0.080 10.485 8.628 105 HG1 THR 16 HG1 THR 16 1.579 11.426 7.467 106 1HG2 THR 16 1HG2 THR 16 1.971 10.127 10.822 107 2HG2 THR 16 2HG2 THR 16 0.265 9.672 10.899 108 3HG2 THR 16 3HG2 THR 16 0.721 11.370 10.793 109 H GLN 17 H GLN 17 2.059 7.349 10.310 110 HA GLN 17 HA GLN 17 4.812 8.012 10.494 111 1HB GLN 17 1HB GLN 17 3.296 5.612 11.553 112 2HB GLN 17 2HB GLN 17 4.944 6.041 11.997 113 1HG GLN 17 1HG GLN 17 4.163 8.113 12.985 114 2HG GLN 17 2HG GLN 17 2.514 7.752 12.495 115 1HE2 GLN 17 1HE2 GLN 17 4.713 5.332 13.705 116 2HE2 GLN 17 2HE2 GLN 17 3.940 5.066 15.209 117 H ARG 18 H ARG 18 6.596 6.519 10.024 118 HA ARG 18 HA ARG 18 6.043 5.465 7.388 119 1HB ARG 18 1HB ARG 18 8.737 5.955 8.637 120 2HB ARG 18 2HB ARG 18 8.388 5.527 6.965 121 1HG ARG 18 1HG ARG 18 7.095 7.607 6.759 122 2HG ARG 18 2HG ARG 18 7.668 8.071 8.358 123 1HD ARG 18 1HD ARG 18 9.345 7.409 5.984 124 2HD ARG 18 2HD ARG 18 8.995 9.037 6.552 125 HE ARG 18 HE ARG 18 10.128 7.665 8.686 126 1HH1 ARG 18 1HH1 ARG 18 11.135 8.655 5.442 127 2HH1 ARG 18 2HH1 ARG 18 12.770 8.828 5.861 128 1HH2 ARG 18 1HH2 ARG 18 12.421 7.936 9.244 129 2HH2 ARG 18 2HH2 ARG 18 13.503 8.417 8.022 130 H LEU 19 H LEU 19 6.619 3.559 6.636 131 HA LEU 19 HA LEU 19 7.348 1.453 8.530 132 1HB LEU 19 1HB LEU 19 5.682 1.351 5.997 133 2HB LEU 19 2HB LEU 19 6.333 -0.079 6.748 134 HG LEU 19 HG LEU 19 4.915 0.400 8.745 135 1HD1 LEU 19 1HD1 LEU 19 3.633 2.493 6.995 136 2HD1 LEU 19 2HD1 LEU 19 4.586 2.800 8.444 137 3HD1 LEU 19 3HD1 LEU 19 3.051 1.938 8.564 138 1HD2 LEU 19 1HD2 LEU 19 4.268 -1.199 7.053 139 2HD2 LEU 19 2HD2 LEU 19 3.484 0.073 6.118 140 3HD2 LEU 19 3HD2 LEU 19 2.856 -0.373 7.710 141 HA PRO 20 HA PRO 20 10.851 0.946 5.791 142 1HB PRO 20 1HB PRO 20 10.670 -1.958 5.836 143 2HB PRO 20 2HB PRO 20 11.894 -0.913 6.556 144 1HG PRO 20 1HG PRO 20 10.044 -2.365 7.959 145 2HG PRO 20 2HG PRO 20 10.884 -0.937 8.598 146 1HD PRO 20 1HD PRO 20 8.104 -1.244 7.611 147 2HD PRO 20 2HD PRO 20 8.762 -0.102 8.798 148 H CYS 21 H CYS 21 10.843 1.048 3.643 149 HA CYS 21 HA CYS 21 8.526 0.452 2.150 150 1HB CYS 21 1HB CYS 21 10.306 2.260 1.636 151 2HB CYS 21 2HB CYS 21 11.260 0.949 0.939 152 H SER 22 H SER 22 11.414 -1.303 2.886 153 HA SER 22 HA SER 22 11.311 -3.260 0.886 154 1HB SER 22 1HB SER 22 12.389 -3.468 3.700 155 2HB SER 22 2HB SER 22 12.804 -4.507 2.333 156 HG SER 22 HG SER 22 13.800 -2.866 1.343 157 H ARG 23 H ARG 23 9.237 -2.731 3.615 158 HA ARG 23 HA ARG 23 8.408 -5.504 3.641 159 1HB ARG 23 1HB ARG 23 7.481 -3.201 5.338 160 2HB ARG 23 2HB ARG 23 6.873 -4.841 5.468 161 1HG ARG 23 1HG ARG 23 9.166 -5.590 6.034 162 2HG ARG 23 2HG ARG 23 9.673 -3.895 6.022 163 1HD ARG 23 1HD ARG 23 7.934 -3.411 7.690 164 2HD ARG 23 2HD ARG 23 7.554 -5.128 7.744 165 HE ARG 23 HE ARG 23 10.251 -4.887 8.278 166 1HH1 ARG 23 1HH1 ARG 23 7.161 -3.928 9.673 167 2HH1 ARG 23 2HH1 ARG 23 7.717 -3.834 11.271 168 1HH2 ARG 23 1HH2 ARG 23 11.041 -4.810 10.501 169 2HH2 ARG 23 2HH2 ARG 23 9.972 -4.324 11.755 170 H ILE 24 H ILE 24 7.689 -2.776 1.916 171 HA ILE 24 HA ILE 24 4.867 -3.102 1.634 172 HB ILE 24 HB ILE 24 6.842 -1.826 -0.315 173 1HG1 ILE 24 1HG1 ILE 24 6.662 -0.814 2.029 174 2HG1 ILE 24 2HG1 ILE 24 6.389 0.298 0.681 175 1HG2 ILE 24 1HG2 ILE 24 4.855 -0.766 -1.297 176 2HG2 ILE 24 2HG2 ILE 24 3.871 -1.684 -0.127 177 3HG2 ILE 24 3HG2 ILE 24 4.772 -2.545 -1.338 178 1HD1 ILE 24 1HD1 ILE 24 3.998 0.134 1.093 179 2HD1 ILE 24 2HD1 ILE 24 4.847 0.687 2.522 180 3HD1 ILE 24 3HD1 ILE 24 4.276 -0.993 2.425 181 H LYS 25 H LYS 25 3.867 -4.626 0.476 182 HA LYS 25 HA LYS 25 5.475 -6.285 -1.325 183 1HB LYS 25 1HB LYS 25 4.206 -7.221 0.630 184 2HB LYS 25 2HB LYS 25 2.734 -6.748 -0.170 185 1HG LYS 25 1HG LYS 25 4.692 -8.769 -1.322 186 2HG LYS 25 2HG LYS 25 3.274 -9.202 -0.384 187 1HD LYS 25 1HD LYS 25 1.834 -8.181 -2.088 188 2HD LYS 25 2HD LYS 25 3.259 -7.710 -3.011 189 1HE LYS 25 1HE LYS 25 2.468 -10.547 -2.347 190 2HE LYS 25 2HE LYS 25 2.192 -9.754 -3.893 191 1HZ LYS 25 1HZ LYS 25 4.605 -9.502 -4.121 192 2HZ LYS 25 2HZ LYS 25 4.147 -11.096 -4.015 193 3HZ LYS 25 3HZ LYS 25 4.862 -10.359 -2.691 194 H THR 26 H THR 26 2.347 -4.615 -1.044 195 HA THR 26 HA THR 26 2.427 -3.793 -3.767 196 HB THR 26 HB THR 26 1.520 -6.127 -3.950 197 HG1 THR 26 HG1 THR 26 0.254 -5.478 -5.455 198 1HG2 THR 26 1HG2 THR 26 -0.755 -5.044 -2.278 199 2HG2 THR 26 2HG2 THR 26 0.400 -6.278 -1.781 200 3HG2 THR 26 3HG2 THR 26 -0.738 -6.613 -3.082 201 H TYR 27 H TYR 27 0.395 -2.452 -4.189 202 HA TYR 27 HA TYR 27 -0.797 -1.483 -1.713 203 1HB TYR 27 1HB TYR 27 -0.503 0.869 -2.319 204 2HB TYR 27 2HB TYR 27 1.066 0.157 -2.264 205 HD1 TYR 27 HD1 TYR 27 2.413 -0.014 -4.247 206 HD2 TYR 27 HD2 TYR 27 -1.560 1.420 -4.401 207 HE1 TYR 27 HE1 TYR 27 2.806 0.865 -6.537 208 HE2 TYR 27 HE2 TYR 27 -1.220 2.269 -6.620 209 HH TYR 27 HH TYR 27 1.638 1.467 -8.464 210 H THR 28 H THR 28 -2.650 -0.162 -2.143 211 HA THR 28 HA THR 28 -3.967 -0.537 -4.697 212 HB THR 28 HB THR 28 -6.110 -0.987 -3.380 213 HG1 THR 28 HG1 THR 28 -4.182 -1.383 -1.349 214 1HG2 THR 28 1HG2 THR 28 -5.712 -3.382 -3.183 215 2HG2 THR 28 2HG2 THR 28 -3.966 -3.074 -3.285 216 3HG2 THR 28 3HG2 THR 28 -5.015 -2.711 -4.669 217 H ILE 29 H ILE 29 -4.676 1.431 -5.315 218 HA ILE 29 HA ILE 29 -4.932 3.308 -3.159 219 HB ILE 29 HB ILE 29 -4.789 3.875 -6.142 220 1HG1 ILE 29 1HG1 ILE 29 -2.753 4.390 -3.927 221 2HG1 ILE 29 2HG1 ILE 29 -2.631 3.156 -5.162 222 1HG2 ILE 29 1HG2 ILE 29 -4.646 6.260 -5.512 223 2HG2 ILE 29 2HG2 ILE 29 -4.910 5.826 -3.823 224 3HG2 ILE 29 3HG2 ILE 29 -6.183 5.551 -5.013 225 1HD1 ILE 29 1HD1 ILE 29 -1.217 5.049 -5.638 226 2HD1 ILE 29 2HD1 ILE 29 -2.619 6.119 -5.600 227 3HD1 ILE 29 3HD1 ILE 29 -2.481 4.900 -6.865 228 H THR 30 H THR 30 -6.843 4.002 -2.513 229 HA THR 30 HA THR 30 -9.171 3.196 -4.097 230 HB THR 30 HB THR 30 -10.352 2.984 -1.889 231 HG1 THR 30 HG1 THR 30 -7.694 3.338 -0.965 232 1HG2 THR 30 1HG2 THR 30 -8.040 1.089 -2.384 233 2HG2 THR 30 2HG2 THR 30 -9.637 0.987 -3.126 234 3HG2 THR 30 3HG2 THR 30 -9.453 0.727 -1.393 235 H GLU 31 H GLU 31 -10.630 4.744 -4.512 236 HA GLU 31 HA GLU 31 -10.529 7.147 -2.874 237 1HB GLU 31 1HB GLU 31 -10.975 7.022 -5.861 238 2HB GLU 31 2HB GLU 31 -11.200 8.461 -4.880 239 1HG GLU 31 1HG GLU 31 -8.808 8.301 -4.233 240 2HG GLU 31 2HG GLU 31 -8.629 6.990 -5.397 241 H GLY 32 H GLY 32 -12.429 8.106 -2.430 242 1HA GLY 32 1HA GLY 32 -14.922 7.829 -3.375 243 2HA GLY 32 2HA GLY 32 -14.712 6.342 -2.457 244 H SER 33 H SER 33 -14.709 6.394 -0.280 245 HA SER 33 HA SER 33 -15.805 8.758 0.945 246 1HB SER 33 1HB SER 33 -14.991 6.112 2.155 247 2HB SER 33 2HB SER 33 -15.979 7.350 2.931 248 HG SER 33 HG SER 33 -17.289 7.042 0.862 249 H LEU 34 H LEU 34 -12.768 7.086 0.749 250 HA LEU 34 HA LEU 34 -11.397 9.335 1.934 251 1HB LEU 34 1HB LEU 34 -11.856 7.853 3.872 252 2HB LEU 34 2HB LEU 34 -11.090 6.526 3.012 253 HG LEU 34 HG LEU 34 -9.013 7.811 3.028 254 1HD1 LEU 34 1HD1 LEU 34 -10.504 9.621 4.921 255 2HD1 LEU 34 2HD1 LEU 34 -9.873 10.053 3.332 256 3HD1 LEU 34 3HD1 LEU 34 -8.763 9.656 4.645 257 1HD2 LEU 34 1HD2 LEU 34 -10.194 7.155 5.717 258 2HD2 LEU 34 2HD2 LEU 34 -8.476 7.348 5.393 259 3HD2 LEU 34 3HD2 LEU 34 -9.375 6.035 4.632 260 H ARG 35 H ARG 35 -10.055 9.727 0.245 261 HA ARG 35 HA ARG 35 -8.982 7.677 -1.413 262 1HB ARG 35 1HB ARG 35 -9.203 9.897 -2.338 263 2HB ARG 35 2HB ARG 35 -8.236 10.591 -1.046 264 1HG ARG 35 1HG ARG 35 -6.248 9.565 -1.912 265 2HG ARG 35 2HG ARG 35 -7.168 8.661 -3.113 266 1HD ARG 35 1HD ARG 35 -7.805 10.707 -4.227 267 2HD ARG 35 2HD ARG 35 -7.064 11.672 -2.954 268 HE ARG 35 HE ARG 35 -4.922 10.608 -3.689 269 1HH1 ARG 35 1HH1 ARG 35 -7.576 10.902 -6.053 270 2HH1 ARG 35 2HH1 ARG 35 -6.532 11.245 -7.344 271 1HH2 ARG 35 1HH2 ARG 35 -3.527 11.067 -5.523 272 2HH2 ARG 35 2HH2 ARG 35 -4.217 11.335 -7.046 273 H ALA 36 H ALA 36 -7.683 6.261 -0.724 274 HA ALA 36 HA ALA 36 -5.456 6.984 1.017 275 1HB ALA 36 1HB ALA 36 -5.972 5.147 2.519 276 2HB ALA 36 2HB ALA 36 -7.456 4.828 1.623 277 3HB ALA 36 3HB ALA 36 -7.264 6.347 2.499 278 H VAL 37 H VAL 37 -3.700 5.644 0.761 279 HA VAL 37 HA VAL 37 -4.026 3.580 -1.228 280 HB VAL 37 HB VAL 37 -2.333 5.261 -1.864 281 1HG1 VAL 37 1HG1 VAL 37 -0.294 5.586 -0.598 282 2HG1 VAL 37 2HG1 VAL 37 -0.940 4.572 0.687 283 3HG1 VAL 37 3HG1 VAL 37 -1.720 6.110 0.300 284 1HG2 VAL 37 1HG2 VAL 37 -1.072 2.661 -1.030 285 2HG2 VAL 37 2HG2 VAL 37 -0.412 3.788 -2.212 286 3HG2 VAL 37 3HG2 VAL 37 -1.931 2.953 -2.540 287 H ILE 38 H ILE 38 -4.129 1.631 -0.556 288 HA ILE 38 HA ILE 38 -3.296 1.031 2.173 289 HB ILE 38 HB ILE 38 -5.168 -0.489 0.324 290 1HG1 ILE 38 1HG1 ILE 38 -5.736 1.199 2.767 291 2HG1 ILE 38 2HG1 ILE 38 -6.102 1.638 1.103 292 1HG2 ILE 38 1HG2 ILE 38 -4.493 -0.982 3.223 293 2HG2 ILE 38 2HG2 ILE 38 -4.045 -2.021 1.867 294 3HG2 ILE 38 3HG2 ILE 38 -5.747 -1.813 2.312 295 1HD1 ILE 38 1HD1 ILE 38 -7.684 -0.218 0.969 296 2HD1 ILE 38 2HD1 ILE 38 -8.084 0.867 2.302 297 3HD1 ILE 38 3HD1 ILE 38 -7.291 -0.675 2.622 298 H PHE 39 H PHE 39 -1.465 0.120 2.387 299 HA PHE 39 HA PHE 39 -0.235 -1.399 0.223 300 1HB PHE 39 1HB PHE 39 0.884 -0.262 2.772 301 2HB PHE 39 2HB PHE 39 1.790 -1.291 1.671 302 HD1 PHE 39 HD1 PHE 39 0.443 2.001 2.270 303 HD2 PHE 39 HD2 PHE 39 2.369 -0.521 -0.524 304 HE1 PHE 39 HE1 PHE 39 1.067 3.944 0.940 305 HE2 PHE 39 HE2 PHE 39 3.014 1.418 -1.861 306 HZ PHE 39 HZ PHE 39 2.368 3.627 -1.161 307 H ILE 40 H ILE 40 0.263 -3.440 0.446 308 HA ILE 40 HA ILE 40 -0.654 -4.720 2.910 309 HB ILE 40 HB ILE 40 -0.083 -6.162 0.310 310 1HG1 ILE 40 1HG1 ILE 40 -1.789 -4.483 -0.217 311 2HG1 ILE 40 2HG1 ILE 40 -2.479 -6.089 -0.225 312 1HG2 ILE 40 1HG2 ILE 40 -1.768 -6.720 2.724 313 2HG2 ILE 40 2HG2 ILE 40 -0.224 -7.490 2.351 314 3HG2 ILE 40 3HG2 ILE 40 -1.652 -7.815 1.341 315 1HD1 ILE 40 1HD1 ILE 40 -3.998 -4.477 0.829 316 2HD1 ILE 40 2HD1 ILE 40 -2.759 -4.066 2.014 317 3HD1 ILE 40 3HD1 ILE 40 -3.458 -5.678 2.000 318 H THR 41 H THR 41 0.876 -5.730 4.087 319 HA THR 41 HA THR 41 3.614 -5.424 3.207 320 HB THR 41 HB THR 41 4.140 -6.119 5.523 321 HG1 THR 41 HG1 THR 41 2.371 -6.262 6.974 322 1HG2 THR 41 1HG2 THR 41 3.804 -3.744 5.028 323 2HG2 THR 41 2HG2 THR 41 3.214 -4.124 6.646 324 3HG2 THR 41 3HG2 THR 41 2.073 -3.923 5.317 325 H LYS 42 H LYS 42 5.014 -7.440 4.108 326 HA LYS 42 HA LYS 42 4.199 -9.676 2.530 327 1HB LYS 42 1HB LYS 42 6.551 -9.302 4.368 328 2HB LYS 42 2HB LYS 42 6.222 -10.834 3.590 329 1HG LYS 42 1HG LYS 42 7.923 -9.658 2.390 330 2HG LYS 42 2HG LYS 42 6.472 -9.730 1.393 331 1HD LYS 42 1HD LYS 42 5.977 -7.416 2.002 332 2HD LYS 42 2HD LYS 42 7.426 -7.371 3.009 333 1HE LYS 42 1HE LYS 42 7.367 -7.859 0.031 334 2HE LYS 42 2HE LYS 42 7.793 -6.341 0.809 335 1HZ LYS 42 1HZ LYS 42 9.739 -7.658 0.135 336 2HZ LYS 42 2HZ LYS 42 9.332 -8.890 1.192 337 3HZ LYS 42 3HZ LYS 42 9.726 -7.356 1.777 338 H ARG 43 H ARG 43 3.651 -8.788 5.741 339 HA ARG 43 HA ARG 43 3.172 -11.421 6.731 340 1HB ARG 43 1HB ARG 43 3.748 -9.630 8.284 341 2HB ARG 43 2HB ARG 43 2.324 -8.720 7.804 342 1HG ARG 43 1HG ARG 43 0.885 -10.425 8.774 343 2HG ARG 43 2HG ARG 43 2.297 -11.393 9.189 344 1HD ARG 43 1HD ARG 43 3.057 -9.721 10.736 345 2HD ARG 43 2HD ARG 43 1.786 -8.609 10.221 346 HE ARG 43 HE ARG 43 0.466 -10.842 11.032 347 1HH1 ARG 43 1HH1 ARG 43 2.753 -8.670 12.642 348 2HH1 ARG 43 2HH1 ARG 43 2.040 -8.864 14.176 349 1HH2 ARG 43 1HH2 ARG 43 -0.499 -11.066 13.111 350 2HH2 ARG 43 2HH2 ARG 43 0.163 -10.255 14.455 351 H GLY 44 H GLY 44 1.442 -9.246 4.773 352 1HA GLY 44 1HA GLY 44 -0.446 -9.882 3.531 353 2HA GLY 44 2HA GLY 44 -0.785 -11.124 4.724 354 H LEU 45 H LEU 45 -0.053 -8.190 6.183 355 HA LEU 45 HA LEU 45 -2.865 -7.825 6.788 356 1HB LEU 45 1HB LEU 45 -0.440 -6.471 7.928 357 2HB LEU 45 2HB LEU 45 -2.094 -6.193 8.436 358 HG LEU 45 HG LEU 45 -0.532 -8.706 8.689 359 1HD1 LEU 45 1HD1 LEU 45 0.102 -6.977 10.278 360 2HD1 LEU 45 2HD1 LEU 45 -0.775 -8.264 11.122 361 3HD1 LEU 45 3HD1 LEU 45 -1.592 -6.748 10.717 362 1HD2 LEU 45 1HD2 LEU 45 -2.831 -9.286 8.280 363 2HD2 LEU 45 2HD2 LEU 45 -3.371 -8.120 9.482 364 3HD2 LEU 45 3HD2 LEU 45 -2.476 -9.556 9.987 365 H LYS 46 H LYS 46 -3.822 -5.861 6.547 366 HA LYS 46 HA LYS 46 -2.574 -4.365 4.378 367 1HB LYS 46 1HB LYS 46 -4.683 -3.395 3.729 368 2HB LYS 46 2HB LYS 46 -4.909 -5.117 3.972 369 1HG LYS 46 1HG LYS 46 -5.558 -3.214 6.151 370 2HG LYS 46 2HG LYS 46 -6.665 -3.450 4.803 371 1HD LYS 46 1HD LYS 46 -5.530 -5.672 6.431 372 2HD LYS 46 2HD LYS 46 -7.078 -4.900 6.851 373 1HE LYS 46 1HE LYS 46 -7.845 -5.483 4.565 374 2HE LYS 46 2HE LYS 46 -6.359 -6.393 4.320 375 1HZ LYS 46 1HZ LYS 46 -8.114 -7.861 5.016 376 2HZ LYS 46 2HZ LYS 46 -8.411 -6.928 6.390 377 3HZ LYS 46 3HZ LYS 46 -6.952 -7.764 6.231 378 H VAL 47 H VAL 47 -1.904 -2.527 4.575 379 HA VAL 47 HA VAL 47 -2.439 -1.053 7.053 380 HB VAL 47 HB VAL 47 0.091 -0.954 5.359 381 1HG1 VAL 47 1HG1 VAL 47 1.044 0.415 7.155 382 2HG1 VAL 47 2HG1 VAL 47 -0.499 0.381 8.002 383 3HG1 VAL 47 3HG1 VAL 47 -0.370 1.186 6.440 384 1HG2 VAL 47 1HG2 VAL 47 -0.337 -2.179 8.088 385 2HG2 VAL 47 2HG2 VAL 47 1.214 -2.043 7.258 386 3HG2 VAL 47 3HG2 VAL 47 -0.060 -3.059 6.585 387 H CYS 48 H CYS 48 -2.831 1.203 6.731 388 HA CYS 48 HA CYS 48 -3.068 1.915 3.922 389 1HB CYS 48 1HB CYS 48 -5.036 3.297 4.524 390 2HB CYS 48 2HB CYS 48 -5.299 1.589 4.830 391 H ALA 49 H ALA 49 -2.099 3.660 3.348 392 HA ALA 49 HA ALA 49 -0.727 5.113 5.465 393 1HB ALA 49 1HB ALA 49 1.122 5.347 3.914 394 2HB ALA 49 2HB ALA 49 0.201 4.436 2.705 395 3HB ALA 49 3HB ALA 49 0.722 3.646 4.189 396 H ASP 50 H ASP 50 -0.315 7.248 5.109 397 HA ASP 50 HA ASP 50 -2.435 8.680 3.842 398 1HB ASP 50 1HB ASP 50 -1.387 9.367 5.977 399 2HB ASP 50 2HB ASP 50 0.128 9.637 5.131 400 HA PRO 51 HA PRO 51 -0.271 8.576 -0.177 401 1HB PRO 51 1HB PRO 51 -2.413 10.462 -0.952 402 2HB PRO 51 2HB PRO 51 -1.994 8.895 -1.647 403 1HG PRO 51 1HG PRO 51 -4.206 9.202 -0.186 404 2HG PRO 51 2HG PRO 51 -3.237 7.722 -0.082 405 1HD PRO 51 1HD PRO 51 -3.351 10.048 1.804 406 2HD PRO 51 2HD PRO 51 -3.287 8.299 2.140 407 H GLN 52 H GLN 52 -0.710 11.304 1.868 408 HA GLN 52 HA GLN 52 0.539 13.165 0.014 409 1HB GLN 52 1HB GLN 52 -0.401 13.570 2.850 410 2HB GLN 52 2HB GLN 52 0.229 14.828 1.805 411 1HG GLN 52 1HG GLN 52 -2.309 13.262 1.395 412 2HG GLN 52 2HG GLN 52 -2.181 14.934 1.930 413 1HE2 GLN 52 1HE2 GLN 52 -1.961 12.773 -0.724 414 2HE2 GLN 52 2HE2 GLN 52 -1.936 13.937 -1.987 415 H ALA 53 H ALA 53 1.393 10.931 2.400 416 HA ALA 53 HA ALA 53 3.766 12.203 3.354 417 1HB ALA 53 1HB ALA 53 4.324 10.010 4.247 418 2HB ALA 53 2HB ALA 53 3.028 9.283 3.294 419 3HB ALA 53 3HB ALA 53 2.641 10.396 4.602 420 H THR 54 H THR 54 5.645 12.368 2.485 421 HA THR 54 HA THR 54 6.003 11.865 -0.226 422 HB THR 54 HB THR 54 8.046 12.488 1.899 423 HG1 THR 54 HG1 THR 54 7.319 14.454 1.756 424 1HG2 THR 54 1HG2 THR 54 9.074 11.718 -0.215 425 2HG2 THR 54 2HG2 THR 54 9.370 13.434 0.045 426 3HG2 THR 54 3HG2 THR 54 8.141 12.918 -1.109 427 H TRP 55 H TRP 55 6.904 10.010 2.609 428 HA TRP 55 HA TRP 55 8.661 8.279 1.183 429 1HB TRP 55 1HB TRP 55 8.726 6.858 3.138 430 2HB TRP 55 2HB TRP 55 8.661 8.514 3.710 431 HD1 TRP 55 HD1 TRP 55 6.408 9.273 4.821 432 HE1 TRP 55 HE1 TRP 55 4.513 7.893 6.022 433 HE3 TRP 55 HE3 TRP 55 7.548 4.705 3.026 434 HZ2 TRP 55 HZ2 TRP 55 3.692 5.242 6.118 435 HZ3 TRP 55 HZ3 TRP 55 6.178 2.761 3.683 436 HH2 TRP 55 HH2 TRP 55 4.290 3.017 5.191 437 H VAL 56 H VAL 56 5.257 8.336 1.831 438 HA VAL 56 HA VAL 56 4.629 5.757 0.849 439 HB VAL 56 HB VAL 56 2.870 8.234 1.118 440 1HG1 VAL 56 1HG1 VAL 56 0.993 6.691 0.866 441 2HG1 VAL 56 2HG1 VAL 56 2.149 5.414 0.422 442 3HG1 VAL 56 3HG1 VAL 56 1.969 6.839 -0.592 443 1HG2 VAL 56 1HG2 VAL 56 1.965 7.095 3.037 444 2HG2 VAL 56 2HG2 VAL 56 3.719 7.271 3.224 445 3HG2 VAL 56 3HG2 VAL 56 3.026 5.724 2.747 446 H ARG 57 H ARG 57 4.476 8.983 -0.534 447 HA ARG 57 HA ARG 57 3.727 8.271 -3.092 448 1HB ARG 57 1HB ARG 57 5.539 10.508 -2.194 449 2HB ARG 57 2HB ARG 57 4.882 10.365 -3.821 450 1HG ARG 57 1HG ARG 57 2.626 10.483 -2.919 451 2HG ARG 57 2HG ARG 57 3.280 10.633 -1.292 452 1HD ARG 57 1HD ARG 57 4.363 12.706 -1.878 453 2HD ARG 57 2HD ARG 57 3.823 12.547 -3.548 454 HE ARG 57 HE ARG 57 1.565 12.438 -2.051 455 1HH1 ARG 57 1HH1 ARG 57 4.218 14.763 -2.345 456 2HH1 ARG 57 2HH1 ARG 57 3.258 16.148 -2.185 457 1HH2 ARG 57 1HH2 ARG 57 0.199 14.391 -1.804 458 2HH2 ARG 57 2HH2 ARG 57 0.919 15.935 -1.828 459 H ASP 58 H ASP 58 6.940 8.540 -1.719 460 HA ASP 58 HA ASP 58 8.407 7.773 -3.943 461 1HB ASP 58 1HB ASP 58 9.508 8.698 -2.013 462 2HB ASP 58 2HB ASP 58 8.993 7.350 -1.015 463 H CYS 59 H CYS 59 6.881 5.644 -1.492 464 HA CYS 59 HA CYS 59 7.983 3.326 -2.801 465 1HB CYS 59 1HB CYS 59 5.987 3.478 -0.592 466 2HB CYS 59 2HB CYS 59 6.695 2.033 -1.290 467 H VAL 60 H VAL 60 4.799 4.851 -2.667 468 HA VAL 60 HA VAL 60 3.441 2.744 -3.945 469 HB VAL 60 HB VAL 60 2.345 4.767 -2.697 470 1HG1 VAL 60 1HG1 VAL 60 3.568 6.510 -3.849 471 2HG1 VAL 60 2HG1 VAL 60 1.794 6.697 -4.014 472 3HG1 VAL 60 3HG1 VAL 60 2.753 6.017 -5.342 473 1HG2 VAL 60 1HG2 VAL 60 1.002 3.181 -3.929 474 2HG2 VAL 60 2HG2 VAL 60 1.266 4.097 -5.414 475 3HG2 VAL 60 3HG2 VAL 60 0.372 4.819 -4.073 476 H ARG 61 H ARG 61 5.502 5.229 -4.940 477 HA ARG 61 HA ARG 61 4.916 4.783 -7.777 478 1HB ARG 61 1HB ARG 61 6.956 6.699 -6.622 479 2HB ARG 61 2HB ARG 61 6.535 6.573 -8.317 480 1HG ARG 61 1HG ARG 61 4.787 7.550 -6.068 481 2HG ARG 61 2HG ARG 61 5.458 8.493 -7.393 482 1HD ARG 61 1HD ARG 61 3.408 6.290 -7.642 483 2HD ARG 61 2HD ARG 61 3.077 8.013 -7.705 484 HE ARG 61 HE ARG 61 4.989 7.115 -9.643 485 1HH1 ARG 61 1HH1 ARG 61 1.554 7.656 -8.956 486 2HH1 ARG 61 2HH1 ARG 61 1.082 7.688 -10.595 487 1HH2 ARG 61 1HH2 ARG 61 4.338 7.150 -11.883 488 2HH2 ARG 61 2HH2 ARG 61 2.706 7.388 -12.299 489 H SER 62 H SER 62 7.335 3.992 -5.411 490 HA SER 62 HA SER 62 9.368 3.013 -7.061 491 1HB SER 62 1HB SER 62 9.643 3.252 -4.576 492 2HB SER 62 2HB SER 62 8.480 1.976 -4.320 493 HG SER 62 HG SER 62 11.010 1.755 -5.569 494 H MET 63 H MET 63 6.528 1.404 -5.722 495 HA MET 63 HA MET 63 7.009 -1.092 -6.957 496 1HB MET 63 1HB MET 63 4.473 0.074 -5.813 497 2HB MET 63 2HB MET 63 4.600 -1.593 -6.380 498 1HG MET 63 1HG MET 63 6.234 -0.346 -4.182 499 2HG MET 63 2HG MET 63 4.847 -1.413 -3.960 500 1HE MET 63 1HE MET 63 6.530 -2.862 -2.372 501 2HE MET 63 2HE MET 63 7.872 -1.792 -2.785 502 3HE MET 63 3HE MET 63 8.044 -3.538 -2.964 503 H ASP 64 H ASP 64 5.397 1.763 -8.017 504 HA ASP 64 HA ASP 64 4.204 0.633 -10.350 505 1HB ASP 64 1HB ASP 64 3.337 2.720 -9.474 506 2HB ASP 64 2HB ASP 64 4.919 3.475 -9.604 507 H ARG 65 H ARG 65 7.241 2.252 -9.647 508 HA ARG 65 HA ARG 65 8.266 2.375 -12.268 509 1HB ARG 65 1HB ARG 65 9.236 3.727 -10.521 510 2HB ARG 65 2HB ARG 65 9.695 2.296 -9.608 511 1HG ARG 65 1HG ARG 65 11.221 1.653 -11.427 512 2HG ARG 65 2HG ARG 65 10.771 3.128 -12.279 513 1HD ARG 65 1HD ARG 65 11.702 4.483 -10.534 514 2HD ARG 65 2HD ARG 65 12.012 3.058 -9.536 515 HE ARG 65 HE ARG 65 13.292 2.706 -11.980 516 1HH1 ARG 65 1HH1 ARG 65 13.565 4.821 -9.173 517 2HH1 ARG 65 2HH1 ARG 65 15.241 5.040 -9.286 518 1HH2 ARG 65 1HH2 ARG 65 15.558 2.944 -12.167 519 2HH2 ARG 65 2HH2 ARG 65 16.455 3.919 -11.091 520 H LYS 66 H LYS 66 8.697 -0.056 -9.719 521 HA LYS 66 HA LYS 66 10.316 -1.739 -11.363 522 1HB LYS 66 1HB LYS 66 10.146 -3.380 -9.549 523 2HB LYS 66 2HB LYS 66 10.375 -1.769 -8.881 524 1HG LYS 66 1HG LYS 66 8.031 -1.616 -8.429 525 2HG LYS 66 2HG LYS 66 7.801 -3.260 -9.019 526 1HD LYS 66 1HD LYS 66 9.660 -2.490 -6.799 527 2HD LYS 66 2HD LYS 66 8.031 -3.121 -6.522 528 1HE LYS 66 1HE LYS 66 8.715 -5.201 -7.705 529 2HE LYS 66 2HE LYS 66 10.338 -4.541 -7.880 530 1HZ LYS 66 1HZ LYS 66 10.534 -4.491 -5.462 531 2HZ LYS 66 2HZ LYS 66 10.193 -6.041 -5.994 532 3HZ LYS 66 3HZ LYS 66 8.991 -5.133 -5.286 533 H SER 67 H SER 67 7.051 -1.085 -11.072 534 HA SER 67 HA SER 67 5.198 -1.723 -12.001 535 1HB SER 67 1HB SER 67 6.972 -3.204 -13.951 536 2HB SER 67 2HB SER 67 5.245 -2.916 -14.177 537 HG SER 67 HG SER 67 6.417 -0.615 -13.528 538 H ASN 68 H ASN 68 4.494 -2.730 -10.234 539 HA ASN 68 HA ASN 68 4.581 -5.661 -10.210 540 1HB ASN 68 1HB ASN 68 5.180 -4.520 -8.082 541 2HB ASN 68 2HB ASN 68 3.612 -3.722 -8.077 542 1HD2 ASN 68 1HD2 ASN 68 3.037 -4.652 -6.081 543 2HD2 ASN 68 2HD2 ASN 68 2.635 -6.326 -5.959 544 H THR 69 H THR 69 2.668 -6.828 -10.318 545 HA THR 69 HA THR 69 0.615 -5.782 -11.864 546 HB THR 69 HB THR 69 1.091 -8.123 -11.999 547 HG1 THR 69 HG1 THR 69 -1.274 -8.731 -10.971 548 1HG2 THR 69 1HG2 THR 69 0.626 -9.674 -10.138 549 2HG2 THR 69 2HG2 THR 69 0.208 -8.250 -9.149 550 3HG2 THR 69 3HG2 THR 69 1.853 -8.445 -9.755 551 H ARG 70 H ARG 70 -1.123 -4.657 -11.412 552 HA ARG 70 HA ARG 70 -2.173 -4.533 -8.639 553 1HB ARG 70 1HB ARG 70 -1.785 -2.307 -10.626 554 2HB ARG 70 2HB ARG 70 -2.601 -2.158 -9.086 555 1HG ARG 70 1HG ARG 70 -0.586 -2.449 -7.894 556 2HG ARG 70 2HG ARG 70 0.268 -2.983 -9.350 557 1HD ARG 70 1HD ARG 70 -0.941 -0.251 -8.972 558 2HD ARG 70 2HD ARG 70 0.768 -0.635 -8.754 559 HE ARG 70 HE ARG 70 0.067 -1.561 -11.250 560 1HH1 ARG 70 1HH1 ARG 70 0.042 1.648 -9.692 561 2HH1 ARG 70 2HH1 ARG 70 0.514 2.449 -11.108 562 1HH2 ARG 70 1HH2 ARG 70 0.691 -0.378 -13.178 563 2HH2 ARG 70 2HH2 ARG 70 0.892 1.317 -13.095 564 H ASN 71 H ASN 71 -2.862 -5.721 -11.530 565 HA ASN 71 HA ASN 71 -4.629 -5.905 -12.972 566 1HB ASN 71 1HB ASN 71 -6.232 -4.676 -10.664 567 2HB ASN 71 2HB ASN 71 -6.949 -5.407 -12.089 568 1HD2 ASN 71 1HD2 ASN 71 -6.952 -7.666 -12.265 569 2HD2 ASN 71 2HD2 ASN 71 -6.632 -8.684 -10.915 570 H ASN 72 H ASN 72 -6.814 -3.963 -13.354 571 HA ASN 72 HA ASN 72 -5.142 -1.846 -14.407 572 1HB ASN 72 1HB ASN 72 -6.913 -2.716 -15.878 573 2HB ASN 72 2HB ASN 72 -8.137 -2.255 -14.703 574 1HD2 ASN 72 1HD2 ASN 72 -5.867 -1.088 -17.086 575 2HD2 ASN 72 2HD2 ASN 72 -6.537 0.494 -17.206 576 H MET 73 H MET 73 -4.449 -0.614 -12.791 577 HA MET 73 HA MET 73 -6.468 0.974 -11.436 578 1HB MET 73 1HB MET 73 -5.978 -0.803 -9.838 579 2HB MET 73 2HB MET 73 -4.256 -0.455 -9.941 580 1HG MET 73 1HG MET 73 -4.675 1.786 -9.007 581 2HG MET 73 2HG MET 73 -6.384 1.391 -8.855 582 1HE MET 73 1HE MET 73 -6.289 -1.483 -6.162 583 2HE MET 73 2HE MET 73 -6.188 -1.700 -7.910 584 3HE MET 73 3HE MET 73 -7.308 -0.522 -7.232 585 H ILE 74 H ILE 74 -5.881 2.721 -12.638 586 HA ILE 74 HA ILE 74 -3.249 3.865 -11.960 587 HB ILE 74 HB ILE 74 -4.978 4.526 -14.397 588 1HG1 ILE 74 1HG1 ILE 74 -4.038 2.263 -14.614 589 2HG1 ILE 74 2HG1 ILE 74 -3.313 3.361 -15.776 590 1HG2 ILE 74 1HG2 ILE 74 -3.009 5.737 -15.234 591 2HG2 ILE 74 2HG2 ILE 74 -2.162 5.388 -13.730 592 3HG2 ILE 74 3HG2 ILE 74 -3.601 6.414 -13.715 593 1HD1 ILE 74 1HD1 ILE 74 -1.318 3.531 -14.350 594 2HD1 ILE 74 2HD1 ILE 74 -1.651 1.868 -14.826 595 3HD1 ILE 74 3HD1 ILE 74 -2.057 2.414 -13.200 596 H GLN 75 H GLN 75 -6.398 3.878 -11.368 597 HA GLN 75 HA GLN 75 -6.434 6.636 -10.405 598 1HB GLN 75 1HB GLN 75 -7.743 6.452 -12.516 599 2HB GLN 75 2HB GLN 75 -8.726 5.204 -11.773 600 1HG GLN 75 1HG GLN 75 -9.569 6.809 -10.156 601 2HG GLN 75 2HG GLN 75 -8.545 8.067 -10.854 602 1HE2 GLN 75 1HE2 GLN 75 -11.427 7.977 -10.625 603 2HE2 GLN 75 2HE2 GLN 75 -12.053 8.116 -12.232 Start of MODEL 12 1 1H GLY 2 1H GLY 2 -9.120 -16.772 15.758 2 1HA GLY 2 1HA GLY 2 -7.768 -14.876 14.699 3 2HA GLY 2 2HA GLY 2 -8.274 -15.658 13.207 4 H SER 3 H SER 3 -8.983 -13.059 13.748 5 HA SER 3 HA SER 3 -11.870 -13.318 14.186 6 1HB SER 3 1HB SER 3 -10.079 -11.035 15.033 7 2HB SER 3 2HB SER 3 -11.824 -11.137 15.286 8 HG SER 3 HG SER 3 -11.369 -13.088 16.493 9 H GLU 4 H GLU 4 -12.994 -12.638 12.454 10 HA GLU 4 HA GLU 4 -11.593 -11.116 10.391 11 1HB GLU 4 1HB GLU 4 -14.262 -12.535 10.233 12 2HB GLU 4 2HB GLU 4 -13.474 -11.706 8.908 13 1HG GLU 4 1HG GLU 4 -13.182 -14.049 8.605 14 2HG GLU 4 2HG GLU 4 -11.625 -13.372 9.063 15 H VAL 5 H VAL 5 -12.346 -9.175 9.653 16 HA VAL 5 HA VAL 5 -14.470 -7.942 11.264 17 HB VAL 5 HB VAL 5 -13.497 -5.742 10.701 18 1HG1 VAL 5 1HG1 VAL 5 -12.796 -6.807 12.763 19 2HG1 VAL 5 2HG1 VAL 5 -11.460 -5.894 12.065 20 3HG1 VAL 5 3HG1 VAL 5 -11.501 -7.648 11.910 21 1HG2 VAL 5 1HG2 VAL 5 -11.292 -7.327 9.361 22 2HG2 VAL 5 2HG2 VAL 5 -11.283 -5.582 9.637 23 3HG2 VAL 5 3HG2 VAL 5 -12.473 -6.296 8.549 24 H SER 6 H SER 6 -15.911 -6.449 10.160 25 HA SER 6 HA SER 6 -16.224 -7.183 7.351 26 1HB SER 6 1HB SER 6 -18.331 -6.322 9.345 27 2HB SER 6 2HB SER 6 -18.627 -6.677 7.647 28 HG SER 6 HG SER 6 -17.609 -8.465 9.594 29 H ASP 7 H ASP 7 -14.943 -5.538 6.496 30 HA ASP 7 HA ASP 7 -16.261 -3.006 6.309 31 1HB ASP 7 1HB ASP 7 -14.812 -2.770 8.366 32 2HB ASP 7 2HB ASP 7 -13.414 -3.072 7.349 33 H LYS 8 H LYS 8 -15.914 -2.215 4.389 34 HA LYS 8 HA LYS 8 -14.794 -3.714 2.279 35 1HB LYS 8 1HB LYS 8 -15.438 -0.785 2.446 36 2HB LYS 8 2HB LYS 8 -15.217 -1.696 0.962 37 1HG LYS 8 1HG LYS 8 -17.193 -2.943 1.352 38 2HG LYS 8 2HG LYS 8 -17.351 -2.309 2.991 39 1HD LYS 8 1HD LYS 8 -18.886 -1.091 1.596 40 2HD LYS 8 2HD LYS 8 -17.505 -0.072 2.044 41 1HE LYS 8 1HE LYS 8 -16.482 -0.438 -0.134 42 2HE LYS 8 2HE LYS 8 -17.810 -1.497 -0.600 43 1HZ LYS 8 1HZ LYS 8 -19.314 0.412 -0.373 44 2HZ LYS 8 2HZ LYS 8 -18.103 0.685 -1.512 45 3HZ LYS 8 3HZ LYS 8 -17.991 1.392 0.011 46 H ARG 9 H ARG 9 -13.763 -0.778 3.856 47 HA ARG 9 HA ARG 9 -11.284 -0.527 2.393 48 1HB ARG 9 1HB ARG 9 -12.070 0.854 4.981 49 2HB ARG 9 2HB ARG 9 -10.693 1.249 3.988 50 1HG ARG 9 1HG ARG 9 -12.368 2.908 3.680 51 2HG ARG 9 2HG ARG 9 -12.256 1.956 2.201 52 1HD ARG 9 1HD ARG 9 -14.571 2.468 2.853 53 2HD ARG 9 2HD ARG 9 -14.202 0.739 2.784 54 HE ARG 9 HE ARG 9 -14.032 0.790 5.248 55 1HH1 ARG 9 1HH1 ARG 9 -15.916 3.370 3.675 56 2HH1 ARG 9 2HH1 ARG 9 -16.866 3.654 5.064 57 1HH2 ARG 9 1HH2 ARG 9 -15.333 1.184 7.068 58 2HH2 ARG 9 2HH2 ARG 9 -16.527 2.418 7.027 59 H THR 10 H THR 10 -12.322 -1.731 5.467 60 HA THR 10 HA THR 10 -11.458 -3.185 6.949 61 HB THR 10 HB THR 10 -8.975 -3.346 5.204 62 HG1 THR 10 HG1 THR 10 -11.481 -4.306 4.869 63 1HG2 THR 10 1HG2 THR 10 -8.560 -5.457 6.393 64 2HG2 THR 10 2HG2 THR 10 -10.006 -5.201 7.368 65 3HG2 THR 10 3HG2 THR 10 -8.630 -4.115 7.538 66 H CYS 11 H CYS 11 -9.264 -0.719 5.801 67 HA CYS 11 HA CYS 11 -8.554 -0.163 8.592 68 1HB CYS 11 1HB CYS 11 -6.753 -0.721 6.781 69 2HB CYS 11 2HB CYS 11 -7.190 0.829 6.090 70 H VAL 12 H VAL 12 -9.086 2.072 9.232 71 HA VAL 12 HA VAL 12 -10.655 3.510 7.189 72 HB VAL 12 HB VAL 12 -12.236 4.215 8.935 73 1HG1 VAL 12 1HG1 VAL 12 -12.027 1.220 8.513 74 2HG1 VAL 12 2HG1 VAL 12 -12.826 2.369 7.438 75 3HG1 VAL 12 3HG1 VAL 12 -13.489 2.055 9.043 76 1HG2 VAL 12 1HG2 VAL 12 -10.891 2.113 10.625 77 2HG2 VAL 12 2HG2 VAL 12 -12.395 2.933 11.043 78 3HG2 VAL 12 3HG2 VAL 12 -10.893 3.851 10.921 79 H SER 13 H SER 13 -7.978 3.818 8.444 80 HA SER 13 HA SER 13 -8.272 6.625 9.228 81 1HB SER 13 1HB SER 13 -6.377 4.534 10.301 82 2HB SER 13 2HB SER 13 -6.415 6.237 10.798 83 HG SER 13 HG SER 13 -8.709 5.694 11.320 84 H LEU 14 H LEU 14 -5.652 7.258 9.228 85 HA LEU 14 HA LEU 14 -4.342 6.068 6.954 86 1HB LEU 14 1HB LEU 14 -4.671 9.042 7.472 87 2HB LEU 14 2HB LEU 14 -3.504 8.382 6.342 88 HG LEU 14 HG LEU 14 -6.485 8.001 6.109 89 1HD1 LEU 14 1HD1 LEU 14 -5.909 10.349 5.759 90 2HD1 LEU 14 2HD1 LEU 14 -6.339 9.591 4.221 91 3HD1 LEU 14 3HD1 LEU 14 -4.645 9.874 4.625 92 1HD2 LEU 14 1HD2 LEU 14 -4.238 7.398 4.195 93 2HD2 LEU 14 2HD2 LEU 14 -5.953 7.269 3.822 94 3HD2 LEU 14 3HD2 LEU 14 -5.242 6.221 5.045 95 H THR 15 H THR 15 -2.741 5.140 7.813 96 HA THR 15 HA THR 15 -2.094 5.401 10.494 97 HB THR 15 HB THR 15 -1.693 3.343 9.064 98 HG1 THR 15 HG1 THR 15 -0.598 2.820 10.729 99 1HG2 THR 15 1HG2 THR 15 0.493 3.136 7.954 100 2HG2 THR 15 2HG2 THR 15 0.850 4.818 8.334 101 3HG2 THR 15 3HG2 THR 15 -0.458 4.426 7.213 102 H THR 16 H THR 16 -0.368 6.221 11.607 103 HA THR 16 HA THR 16 0.955 8.393 10.222 104 HB THR 16 HB THR 16 1.511 9.189 12.575 105 HG1 THR 16 HG1 THR 16 -0.565 7.513 13.455 106 1HG2 THR 16 1HG2 THR 16 -0.337 10.166 11.290 107 2HG2 THR 16 2HG2 THR 16 -0.760 10.060 12.998 108 3HG2 THR 16 3HG2 THR 16 -1.413 8.888 11.851 109 H GLN 17 H GLN 17 1.606 5.302 10.813 110 HA GLN 17 HA GLN 17 4.398 5.771 11.472 111 1HB GLN 17 1HB GLN 17 4.652 3.315 11.432 112 2HB GLN 17 2HB GLN 17 3.365 3.803 12.523 113 1HG GLN 17 1HG GLN 17 1.702 3.160 10.904 114 2HG GLN 17 2HG GLN 17 2.954 2.801 9.717 115 1HE2 GLN 17 1HE2 GLN 17 2.250 0.689 9.518 116 2HE2 GLN 17 2HE2 GLN 17 2.540 -0.490 10.746 117 H ARG 18 H ARG 18 5.878 4.241 9.968 118 HA ARG 18 HA ARG 18 5.048 4.763 7.214 119 1HB ARG 18 1HB ARG 18 7.804 5.080 8.371 120 2HB ARG 18 2HB ARG 18 7.376 5.196 6.670 121 1HG ARG 18 1HG ARG 18 5.854 7.073 7.273 122 2HG ARG 18 2HG ARG 18 6.554 7.020 8.897 123 1HD ARG 18 1HD ARG 18 8.013 7.317 6.349 124 2HD ARG 18 2HD ARG 18 7.614 8.674 7.423 125 HE ARG 18 HE ARG 18 8.956 6.825 8.970 126 1HH1 ARG 18 1HH1 ARG 18 9.800 8.814 6.176 127 2HH1 ARG 18 2HH1 ARG 18 11.476 8.831 6.513 128 1HH2 ARG 18 1HH2 ARG 18 11.254 6.868 9.445 129 2HH2 ARG 18 2HH2 ARG 18 12.306 7.692 8.404 130 H LEU 19 H LEU 19 5.987 3.249 5.686 131 HA LEU 19 HA LEU 19 7.280 0.938 6.841 132 1HB LEU 19 1HB LEU 19 5.019 0.814 4.818 133 2HB LEU 19 2HB LEU 19 6.078 -0.524 5.166 134 HG LEU 19 HG LEU 19 5.197 -0.416 7.553 135 1HD1 LEU 19 1HD1 LEU 19 3.003 0.581 7.883 136 2HD1 LEU 19 2HD1 LEU 19 3.087 1.300 6.274 137 3HD1 LEU 19 3HD1 LEU 19 4.237 1.792 7.523 138 1HD2 LEU 19 1HD2 LEU 19 4.572 -2.138 5.987 139 2HD2 LEU 19 2HD2 LEU 19 3.291 -1.111 5.328 140 3HD2 LEU 19 3HD2 LEU 19 3.200 -1.690 6.994 141 HA PRO 20 HA PRO 20 10.039 2.006 3.461 142 1HB PRO 20 1HB PRO 20 11.875 0.155 4.061 143 2HB PRO 20 2HB PRO 20 11.691 1.610 5.054 144 1HG PRO 20 1HG PRO 20 10.699 -1.165 5.547 145 2HG PRO 20 2HG PRO 20 11.451 -0.029 6.684 146 1HD PRO 20 1HD PRO 20 8.759 -0.432 6.524 147 2HD PRO 20 2HD PRO 20 9.484 1.107 7.030 148 H CYS 21 H CYS 21 10.798 1.086 1.614 149 HA CYS 21 HA CYS 21 8.892 -0.485 0.369 150 1HB CYS 21 1HB CYS 21 11.637 0.307 -0.543 151 2HB CYS 21 2HB CYS 21 10.440 -0.522 -1.537 152 H SER 22 H SER 22 11.637 -1.568 2.137 153 HA SER 22 HA SER 22 11.795 -4.093 0.811 154 1HB SER 22 1HB SER 22 13.703 -3.104 2.070 155 2HB SER 22 2HB SER 22 12.789 -3.303 3.566 156 HG SER 22 HG SER 22 13.802 -5.114 3.596 157 H ARG 23 H ARG 23 9.738 -2.689 3.164 158 HA ARG 23 HA ARG 23 8.733 -5.298 4.034 159 1HB ARG 23 1HB ARG 23 8.357 -2.530 5.160 160 2HB ARG 23 2HB ARG 23 7.500 -3.945 5.752 161 1HG ARG 23 1HG ARG 23 9.584 -4.971 6.428 162 2HG ARG 23 2HG ARG 23 10.497 -3.626 5.736 163 1HD ARG 23 1HD ARG 23 10.217 -3.484 8.197 164 2HD ARG 23 2HD ARG 23 9.551 -2.100 7.341 165 HE ARG 23 HE ARG 23 7.681 -4.199 7.835 166 1HH1 ARG 23 1HH1 ARG 23 9.143 -1.305 9.227 167 2HH1 ARG 23 2HH1 ARG 23 7.821 -0.979 10.262 168 1HH2 ARG 23 1HH2 ARG 23 5.865 -3.724 9.248 169 2HH2 ARG 23 2HH2 ARG 23 5.940 -2.382 10.281 170 H ILE 24 H ILE 24 8.121 -2.825 1.888 171 HA ILE 24 HA ILE 24 5.253 -3.040 1.805 172 HB ILE 24 HB ILE 24 7.193 -1.783 -0.226 173 1HG1 ILE 24 1HG1 ILE 24 6.973 -0.643 2.041 174 2HG1 ILE 24 2HG1 ILE 24 6.564 0.336 0.643 175 1HG2 ILE 24 1HG2 ILE 24 5.227 -2.595 -1.313 176 2HG2 ILE 24 2HG2 ILE 24 5.228 -0.820 -1.285 177 3HG2 ILE 24 3HG2 ILE 24 4.210 -1.745 -0.165 178 1HD1 ILE 24 1HD1 ILE 24 4.589 -1.011 2.487 179 2HD1 ILE 24 2HD1 ILE 24 4.231 0.011 1.072 180 3HD1 ILE 24 3HD1 ILE 24 5.029 0.708 2.461 181 H LYS 25 H LYS 25 4.123 -4.545 0.730 182 HA LYS 25 HA LYS 25 5.539 -6.412 -1.056 183 1HB LYS 25 1HB LYS 25 4.124 -7.199 0.808 184 2HB LYS 25 2HB LYS 25 2.736 -6.488 0.007 185 1HG LYS 25 1HG LYS 25 3.361 -7.878 -2.039 186 2HG LYS 25 2HG LYS 25 4.451 -8.736 -0.945 187 1HD LYS 25 1HD LYS 25 1.526 -8.418 -0.565 188 2HD LYS 25 2HD LYS 25 2.293 -9.854 -1.278 189 1HE LYS 25 1HE LYS 25 3.563 -10.094 0.880 190 2HE LYS 25 2HE LYS 25 2.582 -8.786 1.537 191 1HZ LYS 25 1HZ LYS 25 1.611 -11.402 0.561 192 2HZ LYS 25 2HZ LYS 25 0.590 -10.201 1.067 193 3HZ LYS 25 3HZ LYS 25 1.653 -10.947 2.165 194 H THR 26 H THR 26 2.369 -4.836 -0.887 195 HA THR 26 HA THR 26 2.621 -3.846 -3.576 196 HB THR 26 HB THR 26 1.669 -6.145 -3.839 197 HG1 THR 26 HG1 THR 26 0.278 -5.476 -5.281 198 1HG2 THR 26 1HG2 THR 26 0.533 -6.342 -1.684 199 2HG2 THR 26 2HG2 THR 26 -0.604 -6.616 -3.007 200 3HG2 THR 26 3HG2 THR 26 -0.600 -5.073 -2.151 201 H TYR 27 H TYR 27 0.620 -2.478 -4.040 202 HA TYR 27 HA TYR 27 -0.595 -1.421 -1.594 203 1HB TYR 27 1HB TYR 27 -0.149 0.888 -2.236 204 2HB TYR 27 2HB TYR 27 1.384 0.092 -2.215 205 HD1 TYR 27 HD1 TYR 27 -1.147 1.633 -4.212 206 HD2 TYR 27 HD2 TYR 27 2.532 -0.431 -4.317 207 HE1 TYR 27 HE1 TYR 27 -0.871 2.380 -6.440 208 HE2 TYR 27 HE2 TYR 27 2.862 0.320 -6.677 209 HH TYR 27 HH TYR 27 1.574 1.116 -8.570 210 H THR 28 H THR 28 -2.500 -0.223 -2.073 211 HA THR 28 HA THR 28 -3.672 -0.502 -4.731 212 HB THR 28 HB THR 28 -5.135 -1.151 -2.177 213 HG1 THR 28 HG1 THR 28 -4.053 -2.983 -2.330 214 1HG2 THR 28 1HG2 THR 28 -5.826 -1.620 -5.083 215 2HG2 THR 28 2HG2 THR 28 -6.542 -0.403 -4.024 216 3HG2 THR 28 3HG2 THR 28 -6.817 -2.118 -3.712 217 H ILE 29 H ILE 29 -4.296 1.570 -5.224 218 HA ILE 29 HA ILE 29 -4.706 3.412 -3.001 219 HB ILE 29 HB ILE 29 -4.550 4.003 -5.978 220 1HG1 ILE 29 1HG1 ILE 29 -2.505 4.439 -3.778 221 2HG1 ILE 29 2HG1 ILE 29 -2.409 3.215 -5.031 222 1HG2 ILE 29 1HG2 ILE 29 -5.900 5.658 -4.793 223 2HG2 ILE 29 2HG2 ILE 29 -4.354 6.360 -5.271 224 3HG2 ILE 29 3HG2 ILE 29 -4.620 5.870 -3.597 225 1HD1 ILE 29 1HD1 ILE 29 -2.259 4.983 -6.725 226 2HD1 ILE 29 2HD1 ILE 29 -0.961 5.078 -5.537 227 3HD1 ILE 29 3HD1 ILE 29 -2.322 6.194 -5.441 228 H THR 30 H THR 30 -6.663 4.240 -2.463 229 HA THR 30 HA THR 30 -8.907 3.416 -4.146 230 HB THR 30 HB THR 30 -10.208 3.186 -2.030 231 HG1 THR 30 HG1 THR 30 -7.592 3.370 -0.904 232 1HG2 THR 30 1HG2 THR 30 -9.341 0.929 -1.495 233 2HG2 THR 30 2HG2 THR 30 -7.886 1.289 -2.429 234 3HG2 THR 30 3HG2 THR 30 -9.457 1.213 -3.230 235 H GLU 31 H GLU 31 -10.689 4.768 -4.192 236 HA GLU 31 HA GLU 31 -10.474 7.314 -2.802 237 1HB GLU 31 1HB GLU 31 -11.419 8.454 -4.763 238 2HB GLU 31 2HB GLU 31 -9.886 7.708 -5.151 239 1HG GLU 31 1HG GLU 31 -12.601 6.597 -5.873 240 2HG GLU 31 2HG GLU 31 -11.553 7.508 -6.953 241 H GLY 32 H GLY 32 -12.461 8.245 -2.306 242 1HA GLY 32 1HA GLY 32 -15.001 7.436 -2.847 243 2HA GLY 32 2HA GLY 32 -14.472 6.335 -1.577 244 H SER 33 H SER 33 -14.290 7.047 0.495 245 HA SER 33 HA SER 33 -15.316 9.691 1.028 246 1HB SER 33 1HB SER 33 -15.185 8.815 3.412 247 2HB SER 33 2HB SER 33 -16.305 7.979 2.335 248 HG SER 33 HG SER 33 -14.371 6.949 3.727 249 H LEU 34 H LEU 34 -12.372 7.977 0.894 250 HA LEU 34 HA LEU 34 -10.910 10.361 1.514 251 1HB LEU 34 1HB LEU 34 -9.373 9.338 3.069 252 2HB LEU 34 2HB LEU 34 -10.986 9.137 3.703 253 HG LEU 34 HG LEU 34 -9.377 7.035 2.323 254 1HD1 LEU 34 1HD1 LEU 34 -8.417 7.647 4.461 255 2HD1 LEU 34 2HD1 LEU 34 -9.164 6.049 4.583 256 3HD1 LEU 34 3HD1 LEU 34 -9.990 7.470 5.231 257 1HD2 LEU 34 1HD2 LEU 34 -11.083 5.464 3.143 258 2HD2 LEU 34 2HD2 LEU 34 -11.753 6.740 2.089 259 3HD2 LEU 34 3HD2 LEU 34 -11.970 6.842 3.825 260 H ARG 35 H ARG 35 -8.682 10.145 0.705 261 HA ARG 35 HA ARG 35 -8.513 8.102 -1.401 262 1HB ARG 35 1HB ARG 35 -8.080 10.674 -1.764 263 2HB ARG 35 2HB ARG 35 -6.569 10.363 -0.924 264 1HG ARG 35 1HG ARG 35 -6.123 10.265 -3.264 265 2HG ARG 35 2HG ARG 35 -6.075 8.603 -2.656 266 1HD ARG 35 1HD ARG 35 -8.387 8.262 -3.386 267 2HD ARG 35 2HD ARG 35 -8.441 9.915 -3.976 268 HE ARG 35 HE ARG 35 -6.534 8.002 -5.062 269 1HH1 ARG 35 1HH1 ARG 35 -9.223 10.285 -5.528 270 2HH1 ARG 35 2HH1 ARG 35 -9.407 9.993 -7.181 271 1HH2 ARG 35 1HH2 ARG 35 -6.836 7.570 -7.455 272 2HH2 ARG 35 2HH2 ARG 35 -8.044 8.439 -8.271 273 H ALA 36 H ALA 36 -7.586 6.322 -0.619 274 HA ALA 36 HA ALA 36 -5.420 6.709 1.327 275 1HB ALA 36 1HB ALA 36 -6.168 4.787 2.568 276 2HB ALA 36 2HB ALA 36 -7.540 4.588 1.474 277 3HB ALA 36 3HB ALA 36 -7.429 6.019 2.508 278 H VAL 37 H VAL 37 -3.642 5.591 0.981 279 HA VAL 37 HA VAL 37 -3.643 3.670 -1.198 280 HB VAL 37 HB VAL 37 -1.332 4.689 0.460 281 1HG1 VAL 37 1HG1 VAL 37 -1.413 3.342 -2.233 282 2HG1 VAL 37 2HG1 VAL 37 -0.892 2.631 -0.703 283 3HG1 VAL 37 3HG1 VAL 37 0.031 3.954 -1.422 284 1HG2 VAL 37 1HG2 VAL 37 -2.413 6.567 -0.612 285 2HG2 VAL 37 2HG2 VAL 37 -2.290 5.785 -2.192 286 3HG2 VAL 37 3HG2 VAL 37 -0.828 6.268 -1.310 287 H ILE 38 H ILE 38 -4.078 1.654 -0.532 288 HA ILE 38 HA ILE 38 -3.394 0.977 2.197 289 HB ILE 38 HB ILE 38 -5.209 -0.450 0.222 290 1HG1 ILE 38 1HG1 ILE 38 -5.766 1.064 2.791 291 2HG1 ILE 38 2HG1 ILE 38 -6.172 1.582 1.165 292 1HG2 ILE 38 1HG2 ILE 38 -4.535 -1.242 3.065 293 2HG2 ILE 38 2HG2 ILE 38 -4.068 -2.113 1.607 294 3HG2 ILE 38 3HG2 ILE 38 -5.772 -1.998 2.055 295 1HD1 ILE 38 1HD1 ILE 38 -7.771 -0.286 0.992 296 2HD1 ILE 38 2HD1 ILE 38 -8.120 0.770 2.368 297 3HD1 ILE 38 3HD1 ILE 38 -7.340 -0.776 2.633 298 H PHE 39 H PHE 39 -1.549 0.234 2.487 299 HA PHE 39 HA PHE 39 -0.144 -1.280 0.438 300 1HB PHE 39 1HB PHE 39 0.762 -0.021 3.009 301 2HB PHE 39 2HB PHE 39 1.757 -1.160 2.119 302 HD1 PHE 39 HD1 PHE 39 2.380 -0.622 -0.201 303 HD2 PHE 39 HD2 PHE 39 0.681 2.232 2.428 304 HE1 PHE 39 HE1 PHE 39 3.273 1.172 -1.604 305 HE2 PHE 39 HE2 PHE 39 1.558 4.040 1.035 306 HZ PHE 39 HZ PHE 39 2.877 3.460 -1.034 307 H ILE 40 H ILE 40 0.332 -3.317 0.649 308 HA ILE 40 HA ILE 40 -0.567 -4.591 3.119 309 HB ILE 40 HB ILE 40 0.168 -6.063 0.582 310 1HG1 ILE 40 1HG1 ILE 40 -1.617 -4.499 -0.049 311 2HG1 ILE 40 2HG1 ILE 40 -2.211 -6.141 -0.029 312 1HG2 ILE 40 1HG2 ILE 40 -1.551 -6.662 2.982 313 2HG2 ILE 40 2HG2 ILE 40 0.034 -7.358 2.656 314 3HG2 ILE 40 3HG2 ILE 40 -1.351 -7.770 1.629 315 1HD1 ILE 40 1HD1 ILE 40 -2.678 -4.077 2.135 316 2HD1 ILE 40 2HD1 ILE 40 -3.226 -5.748 2.157 317 3HD1 ILE 40 3HD1 ILE 40 -3.865 -4.637 0.944 318 H THR 41 H THR 41 1.006 -5.256 4.374 319 HA THR 41 HA THR 41 3.717 -4.995 3.400 320 HB THR 41 HB THR 41 3.187 -4.071 5.623 321 HG1 THR 41 HG1 THR 41 5.286 -4.899 5.232 322 1HG2 THR 41 1HG2 THR 41 2.601 -6.933 6.383 323 2HG2 THR 41 2HG2 THR 41 1.430 -5.615 6.301 324 3HG2 THR 41 3HG2 THR 41 2.705 -5.589 7.521 325 H LYS 42 H LYS 42 5.303 -6.811 3.989 326 HA LYS 42 HA LYS 42 4.405 -9.181 2.711 327 1HB LYS 42 1HB LYS 42 6.970 -8.685 4.219 328 2HB LYS 42 2HB LYS 42 6.639 -10.094 3.231 329 1HG LYS 42 1HG LYS 42 6.444 -8.670 1.256 330 2HG LYS 42 2HG LYS 42 6.784 -7.250 2.253 331 1HD LYS 42 1HD LYS 42 8.943 -8.197 2.869 332 2HD LYS 42 2HD LYS 42 8.594 -9.618 1.888 333 1HE LYS 42 1HE LYS 42 8.531 -8.221 -0.108 334 2HE LYS 42 2HE LYS 42 8.841 -6.796 0.878 335 1HZ LYS 42 1HZ LYS 42 10.938 -7.707 1.532 336 2HZ LYS 42 2HZ LYS 42 10.897 -7.623 -0.140 337 3HZ LYS 42 3HZ LYS 42 10.691 -9.111 0.641 338 H ARG 43 H ARG 43 4.220 -8.157 5.883 339 HA ARG 43 HA ARG 43 4.221 -10.714 7.171 340 1HB ARG 43 1HB ARG 43 4.721 -8.517 8.326 341 2HB ARG 43 2HB ARG 43 3.058 -8.049 8.102 342 1HG ARG 43 1HG ARG 43 3.921 -10.411 9.783 343 2HG ARG 43 2HG ARG 43 3.706 -8.783 10.415 344 1HD ARG 43 1HD ARG 43 1.368 -8.844 9.743 345 2HD ARG 43 2HD ARG 43 1.587 -10.467 9.087 346 HE ARG 43 HE ARG 43 2.027 -9.875 11.932 347 1HH1 ARG 43 1HH1 ARG 43 0.365 -11.761 9.415 348 2HH1 ARG 43 2HH1 ARG 43 -0.415 -12.788 10.510 349 1HH2 ARG 43 1HH2 ARG 43 0.942 -11.262 13.416 350 2HH2 ARG 43 2HH2 ARG 43 -0.082 -12.517 12.866 351 H GLY 44 H GLY 44 2.006 -8.938 5.241 352 1HA GLY 44 1HA GLY 44 0.192 -10.009 4.195 353 2HA GLY 44 2HA GLY 44 0.057 -11.081 5.574 354 H LEU 45 H LEU 45 0.392 -7.909 6.599 355 HA LEU 45 HA LEU 45 -2.529 -7.733 6.991 356 1HB LEU 45 1HB LEU 45 -0.287 -6.338 8.402 357 2HB LEU 45 2HB LEU 45 -1.991 -6.047 8.694 358 HG LEU 45 HG LEU 45 -0.530 -8.635 9.202 359 1HD1 LEU 45 1HD1 LEU 45 0.032 -6.891 10.786 360 2HD1 LEU 45 2HD1 LEU 45 -0.976 -8.129 11.551 361 3HD1 LEU 45 3HD1 LEU 45 -1.684 -6.584 11.055 362 1HD2 LEU 45 1HD2 LEU 45 -2.842 -9.059 8.544 363 2HD2 LEU 45 2HD2 LEU 45 -3.404 -7.877 9.721 364 3HD2 LEU 45 3HD2 LEU 45 -2.626 -9.362 10.268 365 H LYS 46 H LYS 46 -3.595 -5.882 6.828 366 HA LYS 46 HA LYS 46 -2.845 -4.404 4.445 367 1HB LYS 46 1HB LYS 46 -5.448 -4.631 5.954 368 2HB LYS 46 2HB LYS 46 -5.220 -3.873 4.375 369 1HG LYS 46 1HG LYS 46 -4.677 -5.912 3.359 370 2HG LYS 46 2HG LYS 46 -4.512 -6.715 4.920 371 1HD LYS 46 1HD LYS 46 -6.539 -7.401 3.851 372 2HD LYS 46 2HD LYS 46 -6.911 -6.408 5.256 373 1HE LYS 46 1HE LYS 46 -7.316 -4.463 3.825 374 2HE LYS 46 2HE LYS 46 -6.866 -5.381 2.396 375 1HZ LYS 46 1HZ LYS 46 -9.257 -5.884 4.118 376 2HZ LYS 46 2HZ LYS 46 -8.831 -6.808 2.782 377 3HZ LYS 46 3HZ LYS 46 -9.251 -5.206 2.586 378 H VAL 47 H VAL 47 -2.069 -2.510 4.670 379 HA VAL 47 HA VAL 47 -2.593 -0.956 7.117 380 HB VAL 47 HB VAL 47 -0.176 -0.761 5.281 381 1HG1 VAL 47 1HG1 VAL 47 0.834 0.633 7.020 382 2HG1 VAL 47 2HG1 VAL 47 -0.666 0.554 7.944 383 3HG1 VAL 47 3HG1 VAL 47 -0.639 1.357 6.372 384 1HG2 VAL 47 1HG2 VAL 47 1.096 -1.796 7.114 385 2HG2 VAL 47 2HG2 VAL 47 -0.151 -2.868 6.491 386 3HG2 VAL 47 3HG2 VAL 47 -0.401 -2.016 8.017 387 H CYS 48 H CYS 48 -3.059 1.351 6.838 388 HA CYS 48 HA CYS 48 -3.605 2.077 4.053 389 1HB CYS 48 1HB CYS 48 -5.559 3.369 4.898 390 2HB CYS 48 2HB CYS 48 -5.696 1.641 5.181 391 H ALA 49 H ALA 49 -2.718 3.922 3.372 392 HA ALA 49 HA ALA 49 -1.392 5.720 5.303 393 1HB ALA 49 1HB ALA 49 0.614 5.614 4.014 394 2HB ALA 49 2HB ALA 49 -0.143 4.512 2.861 395 3HB ALA 49 3HB ALA 49 0.167 3.983 4.511 396 H ASP 50 H ASP 50 -0.852 7.745 4.600 397 HA ASP 50 HA ASP 50 -2.859 8.995 3.040 398 1HB ASP 50 1HB ASP 50 -0.221 10.052 4.057 399 2HB ASP 50 2HB ASP 50 -1.546 10.981 3.407 400 HA PRO 51 HA PRO 51 -0.419 8.606 -0.801 401 1HB PRO 51 1HB PRO 51 -2.069 10.113 -2.357 402 2HB PRO 51 2HB PRO 51 -2.450 8.441 -1.912 403 1HG PRO 51 1HG PRO 51 -3.426 10.988 -0.688 404 2HG PRO 51 2HG PRO 51 -4.346 9.536 -1.135 405 1HD PRO 51 1HD PRO 51 -3.594 10.025 1.399 406 2HD PRO 51 2HD PRO 51 -3.666 8.377 0.745 407 H GLN 52 H GLN 52 -1.132 11.274 1.106 408 HA GLN 52 HA GLN 52 0.307 13.189 -0.528 409 1HB GLN 52 1HB GLN 52 -0.898 13.548 2.223 410 2HB GLN 52 2HB GLN 52 -0.261 14.821 1.198 411 1HG GLN 52 1HG GLN 52 -2.683 13.123 0.635 412 2HG GLN 52 2HG GLN 52 -2.686 14.808 1.144 413 1HE2 GLN 52 1HE2 GLN 52 -2.054 16.412 -0.380 414 2HE2 GLN 52 2HE2 GLN 52 -2.058 16.069 -2.061 415 H ALA 53 H ALA 53 0.950 10.870 1.831 416 HA ALA 53 HA ALA 53 3.099 12.182 3.198 417 1HB ALA 53 1HB ALA 53 3.520 10.001 4.179 418 2HB ALA 53 2HB ALA 53 2.380 9.256 3.056 419 3HB ALA 53 3HB ALA 53 1.810 10.402 4.268 420 H THR 54 H THR 54 5.141 12.208 2.838 421 HA THR 54 HA THR 54 6.118 11.882 0.268 422 HB THR 54 HB THR 54 7.617 12.140 2.885 423 HG1 THR 54 HG1 THR 54 7.530 14.403 2.295 424 1HG2 THR 54 1HG2 THR 54 9.397 13.150 1.510 425 2HG2 THR 54 2HG2 THR 54 8.449 12.851 0.055 426 3HG2 THR 54 3HG2 THR 54 9.073 11.494 0.996 427 H TRP 55 H TRP 55 6.181 9.750 3.053 428 HA TRP 55 HA TRP 55 8.139 7.986 1.898 429 1HB TRP 55 1HB TRP 55 7.689 6.417 3.707 430 2HB TRP 55 2HB TRP 55 7.760 8.043 4.353 431 HD1 TRP 55 HD1 TRP 55 5.452 9.049 5.183 432 HE1 TRP 55 HE1 TRP 55 3.306 7.930 6.085 433 HE3 TRP 55 HE3 TRP 55 6.241 4.481 3.390 434 HZ2 TRP 55 HZ2 TRP 55 2.158 5.476 6.046 435 HZ3 TRP 55 HZ3 TRP 55 4.541 2.689 3.819 436 HH2 TRP 55 HH2 TRP 55 2.531 3.181 5.127 437 H VAL 56 H VAL 56 4.741 8.270 1.792 438 HA VAL 56 HA VAL 56 4.229 5.729 0.623 439 HB VAL 56 HB VAL 56 2.525 8.217 0.847 440 1HG1 VAL 56 1HG1 VAL 56 0.633 6.767 0.164 441 2HG1 VAL 56 2HG1 VAL 56 1.789 5.487 -0.249 442 3HG1 VAL 56 3HG1 VAL 56 1.805 7.008 -1.124 443 1HG2 VAL 56 1HG2 VAL 56 1.296 6.903 2.469 444 2HG2 VAL 56 2HG2 VAL 56 2.990 7.098 2.926 445 3HG2 VAL 56 3HG2 VAL 56 2.429 5.570 2.249 446 H ARG 57 H ARG 57 4.300 9.043 -0.631 447 HA ARG 57 HA ARG 57 3.819 8.371 -3.292 448 1HB ARG 57 1HB ARG 57 5.502 10.643 -2.251 449 2HB ARG 57 2HB ARG 57 4.932 10.492 -3.905 450 1HG ARG 57 1HG ARG 57 2.632 10.506 -3.063 451 2HG ARG 57 2HG ARG 57 3.253 10.807 -1.443 452 1HD ARG 57 1HD ARG 57 4.337 12.855 -2.246 453 2HD ARG 57 2HD ARG 57 3.664 12.572 -3.850 454 HE ARG 57 HE ARG 57 1.601 12.546 -2.016 455 1HH1 ARG 57 1HH1 ARG 57 3.859 14.822 -3.532 456 2HH1 ARG 57 2HH1 ARG 57 2.940 16.207 -3.206 457 1HH2 ARG 57 1HH2 ARG 57 0.301 14.539 -1.578 458 2HH2 ARG 57 2HH2 ARG 57 0.912 16.041 -2.077 459 H ASP 58 H ASP 58 6.739 8.346 -1.488 460 HA ASP 58 HA ASP 58 8.522 7.833 -3.604 461 1HB ASP 58 1HB ASP 58 9.397 8.552 -1.508 462 2HB ASP 58 2HB ASP 58 8.681 7.182 -0.669 463 H CYS 59 H CYS 59 6.684 5.545 -1.511 464 HA CYS 59 HA CYS 59 8.106 3.394 -2.887 465 1HB CYS 59 1HB CYS 59 7.516 3.610 -0.384 466 2HB CYS 59 2HB CYS 59 6.024 2.854 -0.906 467 H VAL 60 H VAL 60 4.895 4.738 -2.593 468 HA VAL 60 HA VAL 60 3.473 2.655 -3.805 469 HB VAL 60 HB VAL 60 2.540 4.730 -2.560 470 1HG1 VAL 60 1HG1 VAL 60 3.663 6.458 -3.878 471 2HG1 VAL 60 2HG1 VAL 60 1.883 6.629 -3.933 472 3HG1 VAL 60 3HG1 VAL 60 2.742 5.906 -5.290 473 1HG2 VAL 60 1HG2 VAL 60 1.077 3.142 -3.601 474 2HG2 VAL 60 2HG2 VAL 60 1.249 3.972 -5.148 475 3HG2 VAL 60 3HG2 VAL 60 0.463 4.779 -3.791 476 H ARG 61 H ARG 61 5.583 5.021 -4.915 477 HA ARG 61 HA ARG 61 4.787 4.530 -7.711 478 1HB ARG 61 1HB ARG 61 6.655 6.672 -6.702 479 2HB ARG 61 2HB ARG 61 6.222 6.427 -8.390 480 1HG ARG 61 1HG ARG 61 3.862 6.866 -7.819 481 2HG ARG 61 2HG ARG 61 4.353 7.187 -6.155 482 1HD ARG 61 1HD ARG 61 4.130 9.281 -7.297 483 2HD ARG 61 2HD ARG 61 5.840 8.971 -7.006 484 HE ARG 61 HE ARG 61 4.779 8.157 -9.575 485 1HH1 ARG 61 1HH1 ARG 61 6.683 10.554 -7.779 486 2HH1 ARG 61 2HH1 ARG 61 7.270 11.304 -9.200 487 1HH2 ARG 61 1HH2 ARG 61 5.611 9.185 -11.462 488 2HH2 ARG 61 2HH2 ARG 61 6.663 10.528 -11.296 489 H SER 62 H SER 62 7.402 4.025 -5.512 490 HA SER 62 HA SER 62 9.350 3.163 -7.321 491 1HB SER 62 1HB SER 62 9.853 3.559 -4.949 492 2HB SER 62 2HB SER 62 8.805 2.216 -4.496 493 HG SER 62 HG SER 62 11.304 2.191 -5.766 494 H MET 63 H MET 63 6.656 1.504 -5.784 495 HA MET 63 HA MET 63 7.250 -1.058 -6.787 496 1HB MET 63 1HB MET 63 4.638 0.156 -5.941 497 2HB MET 63 2HB MET 63 4.815 -1.549 -6.361 498 1HG MET 63 1HG MET 63 6.110 -0.058 -4.090 499 2HG MET 63 2HG MET 63 4.845 -1.283 -3.976 500 1HE MET 63 1HE MET 63 6.811 -4.487 -5.222 501 2HE MET 63 2HE MET 63 5.935 -3.358 -6.249 502 3HE MET 63 3HE MET 63 5.245 -3.866 -4.704 503 H ASP 64 H ASP 64 5.432 1.647 -8.110 504 HA ASP 64 HA ASP 64 4.546 0.233 -10.392 505 1HB ASP 64 1HB ASP 64 3.385 2.264 -9.781 506 2HB ASP 64 2HB ASP 64 4.874 3.196 -9.926 507 H ARG 65 H ARG 65 7.484 1.962 -9.629 508 HA ARG 65 HA ARG 65 8.555 2.100 -12.237 509 1HB ARG 65 1HB ARG 65 10.043 1.788 -9.617 510 2HB ARG 65 2HB ARG 65 10.807 2.140 -11.156 511 1HG ARG 65 1HG ARG 65 9.525 4.248 -11.269 512 2HG ARG 65 2HG ARG 65 8.850 3.885 -9.683 513 1HD ARG 65 1HD ARG 65 11.068 3.912 -8.694 514 2HD ARG 65 2HD ARG 65 11.795 4.177 -10.278 515 HE ARG 65 HE ARG 65 9.919 6.190 -9.784 516 1HH1 ARG 65 1HH1 ARG 65 13.109 5.182 -8.588 517 2HH1 ARG 65 2HH1 ARG 65 13.593 6.745 -8.143 518 1HH2 ARG 65 1HH2 ARG 65 10.588 8.309 -9.208 519 2HH2 ARG 65 2HH2 ARG 65 12.117 8.575 -8.495 520 H LYS 66 H LYS 66 8.264 -0.513 -10.027 521 HA LYS 66 HA LYS 66 10.147 -2.296 -11.287 522 1HB LYS 66 1HB LYS 66 7.903 -2.897 -9.353 523 2HB LYS 66 2HB LYS 66 9.228 -3.969 -9.756 524 1HG LYS 66 1HG LYS 66 9.513 -1.308 -8.362 525 2HG LYS 66 2HG LYS 66 9.477 -2.874 -7.560 526 1HD LYS 66 1HD LYS 66 11.541 -1.994 -9.591 527 2HD LYS 66 2HD LYS 66 11.768 -1.970 -7.844 528 1HE LYS 66 1HE LYS 66 11.394 -4.423 -7.804 529 2HE LYS 66 2HE LYS 66 11.265 -4.402 -9.560 530 1HZ LYS 66 1HZ LYS 66 13.444 -5.055 -8.916 531 2HZ LYS 66 2HZ LYS 66 13.672 -3.690 -7.963 532 3HZ LYS 66 3HZ LYS 66 13.555 -3.544 -9.641 533 H SER 67 H SER 67 7.103 -1.204 -12.135 534 HA SER 67 HA SER 67 6.597 -3.354 -14.022 535 1HB SER 67 1HB SER 67 4.658 -2.538 -11.826 536 2HB SER 67 2HB SER 67 4.265 -3.616 -13.166 537 HG SER 67 HG SER 67 6.528 -4.329 -11.866 538 H ASN 68 H ASN 68 3.810 -2.245 -14.364 539 HA ASN 68 HA ASN 68 3.903 0.560 -14.437 540 1HB ASN 68 1HB ASN 68 5.252 0.180 -16.473 541 2HB ASN 68 2HB ASN 68 3.969 -0.830 -17.129 542 1HD2 ASN 68 1HD2 ASN 68 4.887 2.404 -16.268 543 2HD2 ASN 68 2HD2 ASN 68 3.704 3.218 -17.223 544 H THR 69 H THR 69 1.996 0.808 -13.561 545 HA THR 69 HA THR 69 -0.258 -0.243 -15.007 546 HB THR 69 HB THR 69 0.211 -2.063 -13.491 547 HG1 THR 69 HG1 THR 69 -1.922 -1.941 -13.637 548 1HG2 THR 69 1HG2 THR 69 0.182 -1.747 -11.050 549 2HG2 THR 69 2HG2 THR 69 0.001 0.003 -11.346 550 3HG2 THR 69 3HG2 THR 69 1.465 -0.833 -11.870 551 H ARG 70 H ARG 70 -2.139 0.956 -14.657 552 HA ARG 70 HA ARG 70 -1.647 3.517 -13.377 553 1HB ARG 70 1HB ARG 70 -4.068 2.605 -14.963 554 2HB ARG 70 2HB ARG 70 -3.776 4.235 -14.403 555 1HG ARG 70 1HG ARG 70 -2.177 2.736 -16.470 556 2HG ARG 70 2HG ARG 70 -3.304 4.060 -16.764 557 1HD ARG 70 1HD ARG 70 -1.833 5.538 -15.404 558 2HD ARG 70 2HD ARG 70 -0.705 4.188 -15.254 559 HE ARG 70 HE ARG 70 -1.418 4.888 -17.949 560 1HH1 ARG 70 1HH1 ARG 70 0.974 5.322 -15.377 561 2HH1 ARG 70 2HH1 ARG 70 2.164 5.983 -16.392 562 1HH2 ARG 70 1HH2 ARG 70 0.187 5.767 -19.336 563 2HH2 ARG 70 2HH2 ARG 70 1.718 6.238 -18.712 564 H ASN 71 H ASN 71 -1.665 2.926 -11.241 565 HA ASN 71 HA ASN 71 -4.028 1.561 -10.279 566 1HB ASN 71 1HB ASN 71 -1.799 0.770 -9.508 567 2HB ASN 71 2HB ASN 71 -1.545 2.312 -8.711 568 1HD2 ASN 71 1HD2 ASN 71 -1.658 -0.458 -7.734 569 2HD2 ASN 71 2HD2 ASN 71 -2.800 -0.493 -6.451 570 H ASN 72 H ASN 72 -5.432 3.070 -10.655 571 HA ASN 72 HA ASN 72 -6.879 4.669 -10.293 572 1HB ASN 72 1HB ASN 72 -6.112 4.252 -7.415 573 2HB ASN 72 2HB ASN 72 -7.502 5.194 -7.930 574 1HD2 ASN 72 1HD2 ASN 72 -9.107 3.926 -7.172 575 2HD2 ASN 72 2HD2 ASN 72 -9.371 2.291 -7.662 576 H MET 73 H MET 73 -4.553 5.835 -7.903 577 HA MET 73 HA MET 73 -5.305 8.531 -8.656 578 1HB MET 73 1HB MET 73 -4.984 8.019 -6.306 579 2HB MET 73 2HB MET 73 -3.298 7.607 -6.611 580 1HG MET 73 1HG MET 73 -2.837 9.917 -7.213 581 2HG MET 73 2HG MET 73 -4.533 10.330 -6.960 582 1HE MET 73 1HE MET 73 -2.099 11.861 -5.590 583 2HE MET 73 2HE MET 73 -2.713 12.058 -3.950 584 3HE MET 73 3HE MET 73 -3.790 12.290 -5.329 585 H ILE 74 H ILE 74 -2.533 6.462 -9.205 586 HA ILE 74 HA ILE 74 -0.991 8.662 -10.153 587 HB ILE 74 HB ILE 74 0.649 6.930 -10.970 588 1HG1 ILE 74 1HG1 ILE 74 -1.249 5.004 -9.590 589 2HG1 ILE 74 2HG1 ILE 74 -0.930 5.066 -11.319 590 1HG2 ILE 74 1HG2 ILE 74 -0.163 6.813 -8.071 591 2HG2 ILE 74 2HG2 ILE 74 0.914 7.991 -8.812 592 3HG2 ILE 74 3HG2 ILE 74 1.397 6.298 -8.709 593 1HD1 ILE 74 1HD1 ILE 74 1.402 4.428 -10.895 594 2HD1 ILE 74 2HD1 ILE 74 0.264 3.236 -10.269 595 3HD1 ILE 74 3HD1 ILE 74 1.058 4.361 -9.168 596 H GLN 75 H GLN 75 -1.704 9.719 -11.778 597 HA GLN 75 HA GLN 75 -2.388 8.289 -14.236 598 1HB GLN 75 1HB GLN 75 -4.415 9.114 -12.989 599 2HB GLN 75 2HB GLN 75 -3.776 10.734 -13.084 600 1HG GLN 75 1HG GLN 75 -4.514 9.103 -15.519 601 2HG GLN 75 2HG GLN 75 -5.648 10.150 -14.690 602 1HE2 GLN 75 1HE2 GLN 75 -5.354 12.366 -14.838 603 2HE2 GLN 75 2HE2 GLN 75 -4.386 13.112 -16.056 Start of MODEL 13 1 1H GLY 2 1H GLY 2 -9.293 -15.379 9.486 2 1HA GLY 2 1HA GLY 2 -10.441 -14.591 12.023 3 2HA GLY 2 2HA GLY 2 -9.030 -13.881 11.248 4 H SER 3 H SER 3 -9.753 -11.773 11.627 5 HA SER 3 HA SER 3 -12.305 -10.959 10.590 6 1HB SER 3 1HB SER 3 -10.062 -9.331 11.803 7 2HB SER 3 2HB SER 3 -11.696 -8.753 11.477 8 HG SER 3 HG SER 3 -12.336 -10.635 12.810 9 H GLU 4 H GLU 4 -11.369 -11.916 8.497 10 HA GLU 4 HA GLU 4 -10.470 -9.681 6.877 11 1HB GLU 4 1HB GLU 4 -9.353 -12.451 6.884 12 2HB GLU 4 2HB GLU 4 -9.337 -11.506 5.405 13 1HG GLU 4 1HG GLU 4 -8.180 -10.530 7.994 14 2HG GLU 4 2HG GLU 4 -7.242 -11.411 6.783 15 H VAL 5 H VAL 5 -12.597 -9.333 6.504 16 HA VAL 5 HA VAL 5 -13.574 -10.994 4.361 17 HB VAL 5 HB VAL 5 -15.955 -10.243 4.994 18 1HG1 VAL 5 1HG1 VAL 5 -15.185 -12.489 5.474 19 2HG1 VAL 5 2HG1 VAL 5 -16.207 -11.905 6.792 20 3HG1 VAL 5 3HG1 VAL 5 -14.451 -11.935 6.977 21 1HG2 VAL 5 1HG2 VAL 5 -15.341 -8.359 6.464 22 2HG2 VAL 5 2HG2 VAL 5 -14.596 -9.484 7.597 23 3HG2 VAL 5 3HG2 VAL 5 -16.337 -9.533 7.324 24 H SER 6 H SER 6 -12.554 -9.842 2.886 25 HA SER 6 HA SER 6 -12.449 -7.011 2.897 26 1HB SER 6 1HB SER 6 -11.636 -8.984 0.764 27 2HB SER 6 2HB SER 6 -11.180 -7.282 0.835 28 HG SER 6 HG SER 6 -10.113 -9.412 2.093 29 H ASP 7 H ASP 7 -14.225 -5.858 2.437 30 HA ASP 7 HA ASP 7 -15.998 -6.673 0.291 31 1HB ASP 7 1HB ASP 7 -15.951 -4.101 1.911 32 2HB ASP 7 2HB ASP 7 -17.163 -4.511 0.707 33 H LYS 8 H LYS 8 -13.603 -4.220 0.992 34 HA LYS 8 HA LYS 8 -12.570 -4.281 -1.611 35 1HB LYS 8 1HB LYS 8 -12.999 -1.961 -2.304 36 2HB LYS 8 2HB LYS 8 -14.434 -2.970 -2.233 37 1HG LYS 8 1HG LYS 8 -15.190 -1.895 -0.250 38 2HG LYS 8 2HG LYS 8 -13.668 -1.015 -0.082 39 1HD LYS 8 1HD LYS 8 -15.317 0.471 -1.034 40 2HD LYS 8 2HD LYS 8 -14.078 0.036 -2.224 41 1HE LYS 8 1HE LYS 8 -15.597 -1.640 -3.184 42 2HE LYS 8 2HE LYS 8 -16.852 -1.141 -2.047 43 1HZ LYS 8 1HZ LYS 8 -16.769 1.089 -3.076 44 2HZ LYS 8 2HZ LYS 8 -17.138 -0.100 -4.212 45 3HZ LYS 8 3HZ LYS 8 -15.597 0.528 -4.138 46 H ARG 9 H ARG 9 -12.788 -2.250 1.287 47 HA ARG 9 HA ARG 9 -9.925 -1.694 0.935 48 1HB ARG 9 1HB ARG 9 -11.977 -0.192 2.544 49 2HB ARG 9 2HB ARG 9 -10.267 0.197 2.527 50 1HG ARG 9 1HG ARG 9 -10.453 0.670 0.108 51 2HG ARG 9 2HG ARG 9 -12.184 0.348 0.200 52 1HD ARG 9 1HD ARG 9 -11.780 2.747 0.331 53 2HD ARG 9 2HD ARG 9 -12.415 2.157 1.867 54 HE ARG 9 HE ARG 9 -9.551 2.267 1.649 55 1HH1 ARG 9 1HH1 ARG 9 -12.456 4.019 2.714 56 2HH1 ARG 9 2HH1 ARG 9 -11.630 5.046 3.787 57 1HH2 ARG 9 1HH2 ARG 9 -8.432 3.658 3.174 58 2HH2 ARG 9 2HH2 ARG 9 -9.288 4.820 4.084 59 H THR 10 H THR 10 -12.249 -2.431 3.557 60 HA THR 10 HA THR 10 -12.069 -3.585 5.506 61 HB THR 10 HB THR 10 -9.216 -4.253 4.709 62 HG1 THR 10 HG1 THR 10 -11.699 -5.353 4.107 63 1HG2 THR 10 1HG2 THR 10 -9.641 -4.573 7.105 64 2HG2 THR 10 2HG2 THR 10 -9.451 -6.131 6.294 65 3HG2 THR 10 3HG2 THR 10 -11.062 -5.550 6.725 66 H CYS 11 H CYS 11 -9.566 -1.426 4.622 67 HA CYS 11 HA CYS 11 -9.246 -0.517 7.383 68 1HB CYS 11 1HB CYS 11 -7.162 -1.248 6.514 69 2HB CYS 11 2HB CYS 11 -7.450 -0.451 4.966 70 H VAL 12 H VAL 12 -9.491 1.676 7.761 71 HA VAL 12 HA VAL 12 -10.723 3.211 5.569 72 HB VAL 12 HB VAL 12 -11.464 3.355 8.504 73 1HG1 VAL 12 1HG1 VAL 12 -13.340 4.742 7.759 74 2HG1 VAL 12 2HG1 VAL 12 -12.725 4.672 6.107 75 3HG1 VAL 12 3HG1 VAL 12 -11.785 5.471 7.365 76 1HG2 VAL 12 1HG2 VAL 12 -13.594 2.314 7.854 77 2HG2 VAL 12 2HG2 VAL 12 -12.222 1.251 7.547 78 3HG2 VAL 12 3HG2 VAL 12 -12.980 2.123 6.211 79 H SER 13 H SER 13 -8.892 3.361 8.605 80 HA SER 13 HA SER 13 -8.407 6.199 8.220 81 1HB SER 13 1HB SER 13 -7.315 6.016 10.414 82 2HB SER 13 2HB SER 13 -9.043 5.613 10.424 83 HG SER 13 HG SER 13 -7.047 3.622 10.114 84 H LEU 14 H LEU 14 -6.374 7.116 8.218 85 HA LEU 14 HA LEU 14 -4.363 5.379 7.035 86 1HB LEU 14 1HB LEU 14 -4.529 8.398 7.032 87 2HB LEU 14 2HB LEU 14 -3.355 7.445 6.155 88 HG LEU 14 HG LEU 14 -5.387 6.446 4.916 89 1HD1 LEU 14 1HD1 LEU 14 -7.345 7.872 4.679 90 2HD1 LEU 14 2HD1 LEU 14 -6.745 8.898 5.981 91 3HD1 LEU 14 3HD1 LEU 14 -7.169 7.216 6.307 92 1HD2 LEU 14 1HD2 LEU 14 -5.426 8.298 3.282 93 2HD2 LEU 14 2HD2 LEU 14 -3.804 7.882 3.814 94 3HD2 LEU 14 3HD2 LEU 14 -4.593 9.319 4.456 95 H THR 15 H THR 15 -2.262 5.356 7.811 96 HA THR 15 HA THR 15 -2.070 5.870 10.648 97 HB THR 15 HB THR 15 -1.303 3.691 9.647 98 HG1 THR 15 HG1 THR 15 -0.343 3.915 11.503 99 1HG2 THR 15 1HG2 THR 15 0.865 3.618 8.493 100 2HG2 THR 15 2HG2 THR 15 0.949 5.377 8.532 101 3HG2 THR 15 3HG2 THR 15 -0.301 4.577 7.577 102 H THR 16 H THR 16 -0.045 6.782 11.529 103 HA THR 16 HA THR 16 0.946 8.958 9.840 104 HB THR 16 HB THR 16 -0.423 9.828 11.710 105 HG1 THR 16 HG1 THR 16 2.303 10.349 11.514 106 1HG2 THR 16 1HG2 THR 16 1.604 8.484 13.503 107 2HG2 THR 16 2HG2 THR 16 -0.075 7.995 13.309 108 3HG2 THR 16 3HG2 THR 16 0.311 9.557 14.041 109 H GLN 17 H GLN 17 1.826 6.045 10.903 110 HA GLN 17 HA GLN 17 4.591 6.870 11.376 111 1HB GLN 17 1HB GLN 17 4.951 4.570 12.276 112 2HB GLN 17 2HB GLN 17 3.783 5.496 13.206 113 1HG GLN 17 1HG GLN 17 1.967 4.296 12.130 114 2HG GLN 17 2HG GLN 17 3.129 3.394 11.160 115 1HE2 GLN 17 1HE2 GLN 17 2.403 1.469 11.983 116 2HE2 GLN 17 2HE2 GLN 17 2.783 0.928 13.570 117 H ARG 18 H ARG 18 6.258 5.478 10.328 118 HA ARG 18 HA ARG 18 5.303 5.010 7.611 119 1HB ARG 18 1HB ARG 18 8.142 5.176 8.560 120 2HB ARG 18 2HB ARG 18 7.572 5.161 6.904 121 1HG ARG 18 1HG ARG 18 6.374 7.326 7.471 122 2HG ARG 18 2HG ARG 18 7.372 7.352 8.929 123 1HD ARG 18 1HD ARG 18 8.265 7.172 6.116 124 2HD ARG 18 2HD ARG 18 8.427 8.611 7.131 125 HE ARG 18 HE ARG 18 9.773 6.565 8.441 126 1HH1 ARG 18 1HH1 ARG 18 10.129 8.254 5.338 127 2HH1 ARG 18 2HH1 ARG 18 11.790 7.906 5.196 128 1HH2 ARG 18 1HH2 ARG 18 12.049 6.105 8.221 129 2HH2 ARG 18 2HH2 ARG 18 12.904 6.662 6.853 130 H LEU 19 H LEU 19 6.272 3.197 6.480 131 HA LEU 19 HA LEU 19 7.173 1.007 8.176 132 1HB LEU 19 1HB LEU 19 5.329 0.877 5.769 133 2HB LEU 19 2HB LEU 19 6.162 -0.520 6.395 134 HG LEU 19 HG LEU 19 4.878 -0.236 8.537 135 1HD1 LEU 19 1HD1 LEU 19 4.290 2.123 8.352 136 2HD1 LEU 19 2HD1 LEU 19 2.860 1.107 8.546 137 3HD1 LEU 19 3HD1 LEU 19 3.270 1.757 6.958 138 1HD2 LEU 19 1HD2 LEU 19 3.266 -0.619 6.032 139 2HD2 LEU 19 2HD2 LEU 19 2.828 -1.173 7.659 140 3HD2 LEU 19 3HD2 LEU 19 4.246 -1.835 6.849 141 HA PRO 20 HA PRO 20 10.737 1.190 5.541 142 1HB PRO 20 1HB PRO 20 10.901 -1.736 5.603 143 2HB PRO 20 2HB PRO 20 12.040 -0.551 6.233 144 1HG PRO 20 1HG PRO 20 10.423 -2.134 7.755 145 2HG PRO 20 2HG PRO 20 11.119 -0.598 8.309 146 1HD PRO 20 1HD PRO 20 8.345 -1.268 7.553 147 2HD PRO 20 2HD PRO 20 8.959 0.053 8.565 148 H CYS 21 H CYS 21 11.094 0.998 3.368 149 HA CYS 21 HA CYS 21 8.808 0.298 1.818 150 1HB CYS 21 1HB CYS 21 10.631 2.149 1.371 151 2HB CYS 21 2HB CYS 21 11.481 0.817 0.578 152 H SER 22 H SER 22 11.574 -1.325 2.908 153 HA SER 22 HA SER 22 11.802 -3.369 0.972 154 1HB SER 22 1HB SER 22 12.550 -3.417 3.900 155 2HB SER 22 2HB SER 22 13.245 -4.392 2.601 156 HG SER 22 HG SER 22 14.252 -2.644 1.794 157 H ARG 23 H ARG 23 9.510 -2.706 3.500 158 HA ARG 23 HA ARG 23 8.762 -5.514 3.626 159 1HB ARG 23 1HB ARG 23 7.867 -3.268 5.437 160 2HB ARG 23 2HB ARG 23 7.472 -4.970 5.634 161 1HG ARG 23 1HG ARG 23 9.918 -5.441 5.838 162 2HG ARG 23 2HG ARG 23 10.198 -3.704 5.849 163 1HD ARG 23 1HD ARG 23 10.173 -4.476 8.110 164 2HD ARG 23 2HD ARG 23 8.690 -3.566 7.839 165 HE ARG 23 HE ARG 23 8.260 -6.273 7.289 166 1HH1 ARG 23 1HH1 ARG 23 8.677 -4.087 10.025 167 2HH1 ARG 23 2HH1 ARG 23 7.902 -5.078 11.150 168 1HH2 ARG 23 1HH2 ARG 23 7.214 -7.679 8.847 169 2HH2 ARG 23 2HH2 ARG 23 7.058 -7.161 10.457 170 H ILE 24 H ILE 24 7.995 -2.867 1.900 171 HA ILE 24 HA ILE 24 5.143 -3.030 1.721 172 HB ILE 24 HB ILE 24 7.159 -2.007 -0.329 173 1HG1 ILE 24 1HG1 ILE 24 6.992 -0.857 1.958 174 2HG1 ILE 24 2HG1 ILE 24 6.862 0.190 0.537 175 1HG2 ILE 24 1HG2 ILE 24 4.184 -1.616 -0.217 176 2HG2 ILE 24 2HG2 ILE 24 5.036 -2.683 -1.295 177 3HG2 ILE 24 3HG2 ILE 24 5.275 -0.923 -1.435 178 1HD1 ILE 24 1HD1 ILE 24 4.604 -0.812 2.291 179 2HD1 ILE 24 2HD1 ILE 24 4.451 0.233 0.856 180 3HD1 ILE 24 3HD1 ILE 24 5.289 0.821 2.267 181 H LYS 25 H LYS 25 4.035 -4.629 0.763 182 HA LYS 25 HA LYS 25 5.443 -6.500 -0.996 183 1HB LYS 25 1HB LYS 25 3.989 -7.090 1.018 184 2HB LYS 25 2HB LYS 25 2.629 -6.606 0.040 185 1HG LYS 25 1HG LYS 25 4.521 -8.862 -0.685 186 2HG LYS 25 2HG LYS 25 2.973 -9.088 0.113 187 1HD LYS 25 1HD LYS 25 1.841 -8.158 -1.863 188 2HD LYS 25 2HD LYS 25 3.406 -7.927 -2.645 189 1HE LYS 25 1HE LYS 25 3.822 -10.330 -2.543 190 2HE LYS 25 2HE LYS 25 2.272 -10.567 -1.739 191 1HZ LYS 25 1HZ LYS 25 2.636 -9.503 -4.495 192 2HZ LYS 25 2HZ LYS 25 1.164 -9.769 -3.704 193 3HZ LYS 25 3HZ LYS 25 2.149 -11.066 -4.071 194 H THR 26 H THR 26 2.501 -4.535 -0.787 195 HA THR 26 HA THR 26 2.636 -3.817 -3.550 196 HB THR 26 HB THR 26 1.475 -6.008 -3.699 197 HG1 THR 26 HG1 THR 26 -0.464 -3.945 -4.058 198 1HG2 THR 26 1HG2 THR 26 0.538 -6.137 -1.460 199 2HG2 THR 26 2HG2 THR 26 -0.742 -6.324 -2.660 200 3HG2 THR 26 3HG2 THR 26 -0.541 -4.788 -1.813 201 H TYR 27 H TYR 27 0.909 -2.198 -3.987 202 HA TYR 27 HA TYR 27 -0.244 -1.119 -1.518 203 1HB TYR 27 1HB TYR 27 0.155 1.167 -2.223 204 2HB TYR 27 2HB TYR 27 1.671 0.355 -2.403 205 HD1 TYR 27 HD1 TYR 27 2.729 0.218 -4.526 206 HD2 TYR 27 HD2 TYR 27 -1.245 1.644 -4.215 207 HE1 TYR 27 HE1 TYR 27 2.818 1.063 -6.881 208 HE2 TYR 27 HE2 TYR 27 -1.189 2.456 -6.476 209 HH TYR 27 HH TYR 27 1.188 1.590 -8.727 210 H THR 28 H THR 28 -2.186 0.028 -1.913 211 HA THR 28 HA THR 28 -3.474 -0.395 -4.468 212 HB THR 28 HB THR 28 -5.594 -0.957 -3.147 213 HG1 THR 28 HG1 THR 28 -3.632 -1.276 -1.137 214 1HG2 THR 28 1HG2 THR 28 -5.072 -3.353 -3.069 215 2HG2 THR 28 2HG2 THR 28 -3.346 -2.941 -3.222 216 3HG2 THR 28 3HG2 THR 28 -4.470 -2.563 -4.536 217 H ILE 29 H ILE 29 -4.149 1.586 -5.096 218 HA ILE 29 HA ILE 29 -4.627 3.404 -2.942 219 HB ILE 29 HB ILE 29 -4.653 3.925 -5.943 220 1HG1 ILE 29 1HG1 ILE 29 -2.592 4.699 -3.820 221 2HG1 ILE 29 2HG1 ILE 29 -2.384 3.471 -5.038 222 1HG2 ILE 29 1HG2 ILE 29 -4.911 5.905 -3.670 223 2HG2 ILE 29 2HG2 ILE 29 -6.182 5.457 -4.807 224 3HG2 ILE 29 3HG2 ILE 29 -4.754 6.321 -5.378 225 1HD1 ILE 29 1HD1 ILE 29 -1.233 5.507 -5.610 226 2HD1 ILE 29 2HD1 ILE 29 -2.758 6.395 -5.537 227 3HD1 ILE 29 3HD1 ILE 29 -2.516 5.162 -6.777 228 H THR 30 H THR 30 -6.598 3.870 -2.254 229 HA THR 30 HA THR 30 -8.781 2.565 -3.696 230 HB THR 30 HB THR 30 -9.873 2.298 -1.439 231 HG1 THR 30 HG1 THR 30 -7.255 3.027 -0.573 232 1HG2 THR 30 1HG2 THR 30 -8.780 0.416 -2.575 233 2HG2 THR 30 2HG2 THR 30 -8.528 0.310 -0.833 234 3HG2 THR 30 3HG2 THR 30 -7.230 0.888 -1.880 235 H GLU 31 H GLU 31 -10.834 3.506 -3.619 236 HA GLU 31 HA GLU 31 -10.844 6.318 -2.865 237 1HB GLU 31 1HB GLU 31 -10.265 6.167 -5.234 238 2HB GLU 31 2HB GLU 31 -11.680 5.171 -5.529 239 1HG GLU 31 1HG GLU 31 -13.125 7.036 -4.984 240 2HG GLU 31 2HG GLU 31 -11.721 8.029 -4.593 241 H GLY 32 H GLY 32 -12.725 6.975 -2.045 242 1HA GLY 32 1HA GLY 32 -15.261 5.964 -2.524 243 2HA GLY 32 2HA GLY 32 -14.619 5.123 -1.113 244 H SER 33 H SER 33 -14.103 6.296 0.744 245 HA SER 33 HA SER 33 -15.600 8.735 1.033 246 1HB SER 33 1HB SER 33 -14.833 8.531 3.404 247 2HB SER 33 2HB SER 33 -15.728 7.128 2.822 248 HG SER 33 HG SER 33 -13.125 7.313 3.661 249 H LEU 34 H LEU 34 -12.264 7.623 1.120 250 HA LEU 34 HA LEU 34 -11.249 10.275 0.468 251 1HB LEU 34 1HB LEU 34 -10.187 8.512 2.703 252 2HB LEU 34 2HB LEU 34 -9.380 9.931 2.085 253 HG LEU 34 HG LEU 34 -11.983 9.880 3.549 254 1HD1 LEU 34 1HD1 LEU 34 -10.679 10.908 5.391 255 2HD1 LEU 34 2HD1 LEU 34 -9.212 10.731 4.435 256 3HD1 LEU 34 3HD1 LEU 34 -10.075 9.302 4.992 257 1HD2 LEU 34 1HD2 LEU 34 -10.281 12.201 2.627 258 2HD2 LEU 34 2HD2 LEU 34 -11.703 12.329 3.658 259 3HD2 LEU 34 3HD2 LEU 34 -11.869 11.761 1.999 260 H ARG 35 H ARG 35 -9.136 10.032 -0.573 261 HA ARG 35 HA ARG 35 -8.755 7.363 -1.652 262 1HB ARG 35 1HB ARG 35 -7.438 9.997 -2.337 263 2HB ARG 35 2HB ARG 35 -7.036 8.464 -3.096 264 1HG ARG 35 1HG ARG 35 -9.238 8.261 -3.974 265 2HG ARG 35 2HG ARG 35 -9.757 9.741 -3.155 266 1HD ARG 35 1HD ARG 35 -8.093 11.008 -4.447 267 2HD ARG 35 2HD ARG 35 -7.624 9.526 -5.282 268 HE ARG 35 HE ARG 35 -10.258 9.651 -5.780 269 1HH1 ARG 35 1HH1 ARG 35 -7.675 12.010 -6.166 270 2HH1 ARG 35 2HH1 ARG 35 -8.409 12.826 -7.454 271 1HH2 ARG 35 1HH2 ARG 35 -11.304 10.758 -7.473 272 2HH2 ARG 35 2HH2 ARG 35 -10.567 12.129 -8.204 273 H ALA 36 H ALA 36 -7.613 6.064 -0.497 274 HA ALA 36 HA ALA 36 -5.266 7.113 0.928 275 1HB ALA 36 1HB ALA 36 -5.676 5.476 2.688 276 2HB ALA 36 2HB ALA 36 -7.133 4.935 1.849 277 3HB ALA 36 3HB ALA 36 -7.051 6.570 2.511 278 H VAL 37 H VAL 37 -3.422 5.863 0.857 279 HA VAL 37 HA VAL 37 -3.444 3.784 -1.166 280 HB VAL 37 HB VAL 37 -1.097 4.845 0.410 281 1HG1 VAL 37 1HG1 VAL 37 -0.703 2.757 -0.714 282 2HG1 VAL 37 2HG1 VAL 37 0.221 4.053 -1.475 283 3HG1 VAL 37 3HG1 VAL 37 -1.248 3.443 -2.246 284 1HG2 VAL 37 1HG2 VAL 37 -0.587 6.362 -1.432 285 2HG2 VAL 37 2HG2 VAL 37 -2.135 6.743 -0.694 286 3HG2 VAL 37 3HG2 VAL 37 -2.086 5.905 -2.250 287 H ILE 38 H ILE 38 -3.857 1.797 -0.405 288 HA ILE 38 HA ILE 38 -3.202 1.216 2.356 289 HB ILE 38 HB ILE 38 -4.753 -0.454 0.342 290 1HG1 ILE 38 1HG1 ILE 38 -5.729 1.219 2.669 291 2HG1 ILE 38 2HG1 ILE 38 -6.004 1.541 0.960 292 1HG2 ILE 38 1HG2 ILE 38 -5.400 -1.862 2.258 293 2HG2 ILE 38 2HG2 ILE 38 -4.366 -0.898 3.307 294 3HG2 ILE 38 3HG2 ILE 38 -3.653 -1.853 2.008 295 1HD1 ILE 38 1HD1 ILE 38 -7.981 0.599 2.024 296 2HD1 ILE 38 2HD1 ILE 38 -7.045 -0.823 2.504 297 3HD1 ILE 38 3HD1 ILE 38 -7.341 -0.509 0.803 298 H PHE 39 H PHE 39 -1.296 0.510 2.684 299 HA PHE 39 HA PHE 39 0.093 -1.005 0.639 300 1HB PHE 39 1HB PHE 39 1.055 0.267 3.185 301 2HB PHE 39 2HB PHE 39 2.038 -0.843 2.238 302 HD1 PHE 39 HD1 PHE 39 2.482 -0.283 -0.142 303 HD2 PHE 39 HD2 PHE 39 0.947 2.511 2.642 304 HE1 PHE 39 HE1 PHE 39 3.242 1.540 -1.586 305 HE2 PHE 39 HE2 PHE 39 1.687 4.339 1.216 306 HZ PHE 39 HZ PHE 39 2.857 3.813 -0.961 307 H ILE 40 H ILE 40 0.382 -3.035 0.765 308 HA ILE 40 HA ILE 40 -0.550 -4.321 3.201 309 HB ILE 40 HB ILE 40 -0.008 -5.737 0.578 310 1HG1 ILE 40 1HG1 ILE 40 -1.672 -3.966 0.115 311 2HG1 ILE 40 2HG1 ILE 40 -2.373 -5.566 0.017 312 1HG2 ILE 40 1HG2 ILE 40 -1.737 -6.240 2.967 313 2HG2 ILE 40 2HG2 ILE 40 -0.220 -7.079 2.616 314 3HG2 ILE 40 3HG2 ILE 40 -1.650 -7.339 1.585 315 1HD1 ILE 40 1HD1 ILE 40 -3.889 -4.000 1.140 316 2HD1 ILE 40 2HD1 ILE 40 -2.655 -3.675 2.360 317 3HD1 ILE 40 3HD1 ILE 40 -3.372 -5.277 2.241 318 H THR 41 H THR 41 0.922 -5.351 4.383 319 HA THR 41 HA THR 41 3.685 -5.101 3.651 320 HB THR 41 HB THR 41 4.109 -6.177 5.853 321 HG1 THR 41 HG1 THR 41 2.107 -6.362 7.145 322 1HG2 THR 41 1HG2 THR 41 3.126 -4.413 7.249 323 2HG2 THR 41 2HG2 THR 41 2.022 -4.001 5.938 324 3HG2 THR 41 3HG2 THR 41 3.755 -3.752 5.739 325 H LYS 42 H LYS 42 5.084 -7.150 4.036 326 HA LYS 42 HA LYS 42 4.189 -9.089 2.177 327 1HB LYS 42 1HB LYS 42 6.721 -9.003 3.836 328 2HB LYS 42 2HB LYS 42 6.396 -10.204 2.588 329 1HG LYS 42 1HG LYS 42 6.205 -8.420 0.915 330 2HG LYS 42 2HG LYS 42 6.539 -7.224 2.161 331 1HD LYS 42 1HD LYS 42 8.764 -8.181 2.485 332 2HD LYS 42 2HD LYS 42 8.411 -9.415 1.269 333 1HE LYS 42 1HE LYS 42 8.107 -7.672 -0.426 334 2HE LYS 42 2HE LYS 42 8.434 -6.439 0.783 335 1HZ LYS 42 1HZ LYS 42 10.361 -6.903 -0.614 336 2HZ LYS 42 2HZ LYS 42 10.402 -8.505 -0.093 337 3HZ LYS 42 3HZ LYS 42 10.687 -7.253 0.990 338 H ARG 43 H ARG 43 3.632 -8.787 5.410 339 HA ARG 43 HA ARG 43 3.175 -11.627 5.832 340 1HB ARG 43 1HB ARG 43 3.948 -10.397 7.755 341 2HB ARG 43 2HB ARG 43 2.633 -9.234 7.627 342 1HG ARG 43 1HG ARG 43 1.039 -10.954 8.287 343 2HG ARG 43 2HG ARG 43 2.311 -12.169 8.269 344 1HD ARG 43 1HD ARG 43 2.250 -9.762 10.096 345 2HD ARG 43 2HD ARG 43 1.744 -11.387 10.555 346 HE ARG 43 HE ARG 43 4.282 -11.631 9.537 347 1HH1 ARG 43 1HH1 ARG 43 2.818 -10.013 12.341 348 2HH1 ARG 43 2HH1 ARG 43 4.245 -10.111 13.278 349 1HH2 ARG 43 1HH2 ARG 43 6.220 -11.740 10.876 350 2HH2 ARG 43 2HH2 ARG 43 6.171 -11.073 12.434 351 H GLY 44 H GLY 44 1.527 -9.048 4.418 352 1HA GLY 44 1HA GLY 44 -0.499 -9.339 3.262 353 2HA GLY 44 2HA GLY 44 -0.894 -10.672 4.341 354 H LEU 45 H LEU 45 0.268 -7.763 5.769 355 HA LEU 45 HA LEU 45 -2.378 -7.367 6.979 356 1HB LEU 45 1HB LEU 45 0.239 -6.042 7.589 357 2HB LEU 45 2HB LEU 45 -1.254 -5.880 8.492 358 HG LEU 45 HG LEU 45 0.370 -8.366 8.192 359 1HD1 LEU 45 1HD1 LEU 45 -0.129 -6.519 10.493 360 2HD1 LEU 45 2HD1 LEU 45 1.394 -6.682 9.603 361 3HD1 LEU 45 3HD1 LEU 45 0.793 -8.023 10.598 362 1HD2 LEU 45 1HD2 LEU 45 -1.144 -9.310 9.880 363 2HD2 LEU 45 2HD2 LEU 45 -1.981 -8.905 8.385 364 3HD2 LEU 45 3HD2 LEU 45 -2.128 -7.849 9.792 365 H LYS 46 H LYS 46 -3.392 -5.624 6.996 366 HA LYS 46 HA LYS 46 -3.072 -3.950 4.624 367 1HB LYS 46 1HB LYS 46 -5.366 -4.526 6.452 368 2HB LYS 46 2HB LYS 46 -5.431 -3.337 5.155 369 1HG LYS 46 1HG LYS 46 -5.257 -4.946 3.511 370 2HG LYS 46 2HG LYS 46 -4.651 -6.164 4.643 371 1HD LYS 46 1HD LYS 46 -6.647 -6.395 5.665 372 2HD LYS 46 2HD LYS 46 -7.370 -4.950 4.919 373 1HE LYS 46 1HE LYS 46 -7.294 -6.005 2.788 374 2HE LYS 46 2HE LYS 46 -6.495 -7.443 3.453 375 1HZ LYS 46 1HZ LYS 46 -9.282 -6.515 4.080 376 2HZ LYS 46 2HZ LYS 46 -8.492 -7.802 4.828 377 3HZ LYS 46 3HZ LYS 46 -8.869 -7.893 3.191 378 H VAL 47 H VAL 47 -2.174 -2.103 4.874 379 HA VAL 47 HA VAL 47 -2.759 -0.521 7.289 380 HB VAL 47 HB VAL 47 -0.127 -0.526 5.756 381 1HG1 VAL 47 1HG1 VAL 47 -0.857 0.907 8.309 382 2HG1 VAL 47 2HG1 VAL 47 -0.599 1.651 6.731 383 3HG1 VAL 47 3HG1 VAL 47 0.744 0.873 7.567 384 1HG2 VAL 47 1HG2 VAL 47 0.856 -1.567 7.766 385 2HG2 VAL 47 2HG2 VAL 47 -0.365 -2.592 7.022 386 3HG2 VAL 47 3HG2 VAL 47 -0.751 -1.673 8.475 387 H CYS 48 H CYS 48 -3.035 1.771 6.899 388 HA CYS 48 HA CYS 48 -3.311 2.438 4.046 389 1HB CYS 48 1HB CYS 48 -4.997 3.367 6.379 390 2HB CYS 48 2HB CYS 48 -5.074 4.067 4.770 391 H ALA 49 H ALA 49 -2.381 4.260 3.391 392 HA ALA 49 HA ALA 49 -1.079 6.043 5.332 393 1HB ALA 49 1HB ALA 49 0.467 4.265 4.642 394 2HB ALA 49 2HB ALA 49 0.960 5.858 4.053 395 3HB ALA 49 3HB ALA 49 0.169 4.701 2.965 396 H ASP 50 H ASP 50 -0.557 8.045 4.572 397 HA ASP 50 HA ASP 50 -2.516 9.104 2.826 398 1HB ASP 50 1HB ASP 50 -0.220 10.247 4.360 399 2HB ASP 50 2HB ASP 50 -1.066 11.204 3.170 400 HA PRO 51 HA PRO 51 -0.152 8.603 -0.952 401 1HB PRO 51 1HB PRO 51 -1.652 10.383 -2.433 402 2HB PRO 51 2HB PRO 51 -2.109 8.697 -2.140 403 1HG PRO 51 1HG PRO 51 -3.003 11.177 -0.726 404 2HG PRO 51 2HG PRO 51 -3.965 9.789 -1.273 405 1HD PRO 51 1HD PRO 51 -3.274 10.042 1.274 406 2HD PRO 51 2HD PRO 51 -3.263 8.453 0.491 407 H GLN 52 H GLN 52 -0.586 11.472 0.848 408 HA GLN 52 HA GLN 52 1.228 12.987 -0.848 409 1HB GLN 52 1HB GLN 52 0.707 14.902 0.529 410 2HB GLN 52 2HB GLN 52 -0.770 14.143 -0.050 411 1HG GLN 52 1HG GLN 52 -1.067 13.090 2.136 412 2HG GLN 52 2HG GLN 52 0.413 13.860 2.702 413 1HE2 GLN 52 1HE2 GLN 52 -2.865 14.332 1.795 414 2HE2 GLN 52 2HE2 GLN 52 -3.047 15.928 2.411 415 H ALA 53 H ALA 53 1.520 10.802 1.615 416 HA ALA 53 HA ALA 53 3.613 12.117 3.117 417 1HB ALA 53 1HB ALA 53 3.882 9.965 4.212 418 2HB ALA 53 2HB ALA 53 2.802 9.217 3.028 419 3HB ALA 53 3HB ALA 53 2.176 10.407 4.162 420 H THR 54 H THR 54 5.702 12.096 2.844 421 HA THR 54 HA THR 54 6.760 11.744 0.328 422 HB THR 54 HB THR 54 8.237 11.702 2.971 423 HG1 THR 54 HG1 THR 54 7.387 13.841 1.289 424 1HG2 THR 54 1HG2 THR 54 10.101 12.643 1.667 425 2HG2 THR 54 2HG2 THR 54 9.146 12.510 0.191 426 3HG2 THR 54 3HG2 THR 54 9.643 11.057 1.053 427 H TRP 55 H TRP 55 6.601 9.506 3.019 428 HA TRP 55 HA TRP 55 8.434 7.641 1.793 429 1HB TRP 55 1HB TRP 55 7.936 6.080 3.608 430 2HB TRP 55 2HB TRP 55 8.146 7.700 4.242 431 HD1 TRP 55 HD1 TRP 55 5.866 8.908 5.047 432 HE1 TRP 55 HE1 TRP 55 3.716 7.895 6.121 433 HE3 TRP 55 HE3 TRP 55 6.448 4.124 3.564 434 HZ2 TRP 55 HZ2 TRP 55 2.510 5.459 6.304 435 HZ3 TRP 55 HZ3 TRP 55 4.737 2.457 4.209 436 HH2 TRP 55 HH2 TRP 55 2.796 3.113 5.552 437 H VAL 56 H VAL 56 5.076 8.142 1.755 438 HA VAL 56 HA VAL 56 4.385 5.661 0.538 439 HB VAL 56 HB VAL 56 2.840 8.258 0.773 440 1HG1 VAL 56 1HG1 VAL 56 2.014 7.062 -1.129 441 2HG1 VAL 56 2HG1 VAL 56 0.856 6.915 0.197 442 3HG1 VAL 56 3HG1 VAL 56 1.921 5.571 -0.211 443 1HG2 VAL 56 1HG2 VAL 56 1.605 7.081 2.491 444 2HG2 VAL 56 2HG2 VAL 56 3.323 7.197 2.891 445 3HG2 VAL 56 3HG2 VAL 56 2.661 5.679 2.308 446 H ARG 57 H ARG 57 4.775 8.968 -0.589 447 HA ARG 57 HA ARG 57 4.172 8.605 -3.286 448 1HB ARG 57 1HB ARG 57 6.450 10.338 -2.280 449 2HB ARG 57 2HB ARG 57 5.568 10.537 -3.777 450 1HG ARG 57 1HG ARG 57 3.573 11.165 -2.509 451 2HG ARG 57 2HG ARG 57 4.463 10.946 -1.000 452 1HD ARG 57 1HD ARG 57 6.116 12.625 -1.825 453 2HD ARG 57 2HD ARG 57 5.037 12.962 -3.175 454 HE ARG 57 HE ARG 57 3.804 13.206 -0.585 455 1HH1 ARG 57 1HH1 ARG 57 5.585 14.947 -3.096 456 2HH1 ARG 57 2HH1 ARG 57 5.165 16.493 -2.523 457 1HH2 ARG 57 1HH2 ARG 57 3.263 15.309 0.228 458 2HH2 ARG 57 2HH2 ARG 57 3.802 16.718 -0.559 459 H ASP 58 H ASP 58 7.152 8.126 -1.534 460 HA ASP 58 HA ASP 58 8.833 7.515 -3.693 461 1HB ASP 58 1HB ASP 58 9.570 8.252 -1.463 462 2HB ASP 58 2HB ASP 58 9.056 6.713 -0.798 463 H CYS 59 H CYS 59 6.935 5.373 -1.500 464 HA CYS 59 HA CYS 59 8.009 3.047 -2.862 465 1HB CYS 59 1HB CYS 59 5.971 3.215 -0.696 466 2HB CYS 59 2HB CYS 59 6.693 1.768 -1.389 467 H VAL 60 H VAL 60 4.971 4.793 -2.754 468 HA VAL 60 HA VAL 60 3.458 2.833 -4.096 469 HB VAL 60 HB VAL 60 2.647 4.932 -2.797 470 1HG1 VAL 60 1HG1 VAL 60 3.849 6.641 -4.036 471 2HG1 VAL 60 2HG1 VAL 60 2.085 6.883 -4.200 472 3HG1 VAL 60 3HG1 VAL 60 3.006 6.112 -5.500 473 1HG2 VAL 60 1HG2 VAL 60 1.090 3.453 -3.826 474 2HG2 VAL 60 2HG2 VAL 60 1.323 4.221 -5.394 475 3HG2 VAL 60 3HG2 VAL 60 0.565 5.116 -4.069 476 H ARG 61 H ARG 61 5.757 5.134 -4.973 477 HA ARG 61 HA ARG 61 5.180 4.797 -7.782 478 1HB ARG 61 1HB ARG 61 7.088 6.671 -6.430 479 2HB ARG 61 2HB ARG 61 7.193 6.369 -8.161 480 1HG ARG 61 1HG ARG 61 4.748 7.408 -6.727 481 2HG ARG 61 2HG ARG 61 5.904 8.398 -7.626 482 1HD ARG 61 1HD ARG 61 5.384 7.130 -9.674 483 2HD ARG 61 2HD ARG 61 4.220 6.158 -8.785 484 HE ARG 61 HE ARG 61 3.472 8.765 -8.401 485 1HH1 ARG 61 1HH1 ARG 61 3.823 6.572 -11.215 486 2HH1 ARG 61 2HH1 ARG 61 2.656 7.367 -12.138 487 1HH2 ARG 61 1HH2 ARG 61 1.828 9.794 -9.692 488 2HH2 ARG 61 2HH2 ARG 61 1.457 9.218 -11.252 489 H SER 62 H SER 62 7.463 3.709 -5.462 490 HA SER 62 HA SER 62 9.421 2.633 -7.129 491 1HB SER 62 1HB SER 62 9.566 2.749 -4.630 492 2HB SER 62 2HB SER 62 8.343 1.502 -4.520 493 HG SER 62 HG SER 62 10.987 1.337 -5.406 494 H MET 63 H MET 63 6.417 1.175 -5.918 495 HA MET 63 HA MET 63 6.732 -1.194 -7.493 496 1HB MET 63 1HB MET 63 4.292 -0.103 -6.089 497 2HB MET 63 2HB MET 63 4.373 -1.697 -6.838 498 1HG MET 63 1HG MET 63 6.032 -0.714 -4.525 499 2HG MET 63 2HG MET 63 4.677 -1.839 -4.435 500 1HE MET 63 1HE MET 63 7.813 -4.070 -3.638 501 2HE MET 63 2HE MET 63 6.232 -3.537 -3.070 502 3HE MET 63 3HE MET 63 7.560 -2.386 -3.185 503 H ASP 64 H ASP 64 5.227 1.871 -7.966 504 HA ASP 64 HA ASP 64 3.687 1.289 -10.261 505 1HB ASP 64 1HB ASP 64 3.344 3.338 -8.958 506 2HB ASP 64 2HB ASP 64 4.986 3.835 -9.370 507 H ARG 65 H ARG 65 7.004 2.223 -9.763 508 HA ARG 65 HA ARG 65 7.726 2.703 -12.433 509 1HB ARG 65 1HB ARG 65 9.025 3.353 -10.392 510 2HB ARG 65 2HB ARG 65 9.469 1.669 -10.196 511 1HG ARG 65 1HG ARG 65 11.316 2.661 -11.227 512 2HG ARG 65 2HG ARG 65 10.472 1.828 -12.531 513 1HD ARG 65 1HD ARG 65 10.329 4.779 -11.903 514 2HD ARG 65 2HD ARG 65 11.228 4.039 -13.217 515 HE ARG 65 HE ARG 65 8.738 3.257 -13.788 516 1HH1 ARG 65 1HH1 ARG 65 10.012 6.461 -12.889 517 2HH1 ARG 65 2HH1 ARG 65 8.800 7.305 -13.733 518 1HH2 ARG 65 1HH2 ARG 65 7.087 4.468 -14.945 519 2HH2 ARG 65 2HH2 ARG 65 7.125 6.172 -14.911 520 H LYS 66 H LYS 66 7.543 -0.152 -10.436 521 HA LYS 66 HA LYS 66 8.823 -1.903 -12.317 522 1HB LYS 66 1HB LYS 66 7.195 -2.551 -9.856 523 2HB LYS 66 2HB LYS 66 8.184 -3.687 -10.769 524 1HG LYS 66 1HG LYS 66 10.183 -2.368 -10.227 525 2HG LYS 66 2HG LYS 66 9.190 -1.264 -9.285 526 1HD LYS 66 1HD LYS 66 10.306 -2.837 -7.818 527 2HD LYS 66 2HD LYS 66 8.570 -3.139 -7.801 528 1HE LYS 66 1HE LYS 66 9.849 -5.213 -7.893 529 2HE LYS 66 2HE LYS 66 8.861 -5.015 -9.335 530 1HZ LYS 66 1HZ LYS 66 11.785 -4.497 -9.117 531 2HZ LYS 66 2HZ LYS 66 10.873 -4.251 -10.513 532 3HZ LYS 66 3HZ LYS 66 11.064 -5.798 -9.900 533 H SER 67 H SER 67 5.699 -0.685 -11.861 534 HA SER 67 HA SER 67 4.363 -2.782 -13.332 535 1HB SER 67 1HB SER 67 3.390 -0.044 -12.461 536 2HB SER 67 2HB SER 67 2.377 -1.372 -13.036 537 HG SER 67 HG SER 67 4.043 -1.496 -10.744 538 H ASN 68 H ASN 68 3.965 -2.673 -15.518 539 HA ASN 68 HA ASN 68 5.482 -0.763 -17.029 540 1HB ASN 68 1HB ASN 68 5.179 -3.095 -17.803 541 2HB ASN 68 2HB ASN 68 3.459 -2.791 -18.016 542 1HD2 ASN 68 1HD2 ASN 68 3.546 -3.243 -20.203 543 2HD2 ASN 68 2HD2 ASN 68 4.260 -2.176 -21.341 544 H THR 69 H THR 69 2.118 -1.265 -16.275 545 HA THR 69 HA THR 69 1.588 1.400 -17.284 546 HB THR 69 HB THR 69 0.626 -0.129 -18.901 547 HG1 THR 69 HG1 THR 69 -0.915 1.324 -18.923 548 1HG2 THR 69 1HG2 THR 69 0.482 -2.050 -17.500 549 2HG2 THR 69 2HG2 THR 69 -1.117 -1.738 -18.227 550 3HG2 THR 69 3HG2 THR 69 -0.773 -1.279 -16.540 551 H ARG 70 H ARG 70 -0.562 2.185 -16.293 552 HA ARG 70 HA ARG 70 -1.122 1.189 -13.633 553 1HB ARG 70 1HB ARG 70 -0.656 3.370 -12.586 554 2HB ARG 70 2HB ARG 70 0.798 2.586 -13.195 555 1HG ARG 70 1HG ARG 70 0.985 4.068 -15.001 556 2HG ARG 70 2HG ARG 70 -0.666 4.648 -14.807 557 1HD ARG 70 1HD ARG 70 1.499 5.037 -12.765 558 2HD ARG 70 2HD ARG 70 1.086 6.218 -14.010 559 HE ARG 70 HE ARG 70 -1.157 6.283 -13.065 560 1HH1 ARG 70 1HH1 ARG 70 1.344 4.925 -10.956 561 2HH1 ARG 70 2HH1 ARG 70 0.632 5.517 -9.529 562 1HH2 ARG 70 1HH2 ARG 70 -2.140 7.043 -11.105 563 2HH2 ARG 70 2HH2 ARG 70 -1.370 6.727 -9.604 564 H ASN 71 H ASN 71 -2.596 2.955 -12.615 565 HA ASN 71 HA ASN 71 -4.799 3.550 -14.278 566 1HB ASN 71 1HB ASN 71 -5.001 3.295 -11.829 567 2HB ASN 71 2HB ASN 71 -3.956 4.691 -11.597 568 1HD2 ASN 71 1HD2 ASN 71 -5.516 5.787 -10.449 569 2HD2 ASN 71 2HD2 ASN 71 -6.897 6.483 -11.215 570 H ASN 72 H ASN 72 -4.373 4.837 -15.964 571 HA ASN 72 HA ASN 72 -2.509 7.025 -15.616 572 1HB ASN 72 1HB ASN 72 -2.059 5.581 -17.499 573 2HB ASN 72 2HB ASN 72 -3.680 5.842 -18.129 574 1HD2 ASN 72 1HD2 ASN 72 -0.551 7.310 -17.589 575 2HD2 ASN 72 2HD2 ASN 72 -0.766 8.602 -18.695 576 H MET 73 H MET 73 -3.200 8.855 -15.121 577 HA MET 73 HA MET 73 -5.921 9.675 -15.664 578 1HB MET 73 1HB MET 73 -4.937 10.088 -13.459 579 2HB MET 73 2HB MET 73 -3.655 11.038 -14.193 580 1HG MET 73 1HG MET 73 -5.311 12.682 -14.928 581 2HG MET 73 2HG MET 73 -6.582 11.720 -14.181 582 1HE MET 73 1HE MET 73 -5.142 10.697 -11.514 583 2HE MET 73 2HE MET 73 -6.789 11.327 -11.506 584 3HE MET 73 3HE MET 73 -5.599 11.948 -10.365 585 H ILE 74 H ILE 74 -5.983 10.032 -17.905 586 HA ILE 74 HA ILE 74 -3.918 11.554 -19.093 587 HB ILE 74 HB ILE 74 -4.821 9.716 -20.368 588 1HG1 ILE 74 1HG1 ILE 74 -5.674 12.345 -21.533 589 2HG1 ILE 74 2HG1 ILE 74 -4.046 11.656 -21.496 590 1HG2 ILE 74 1HG2 ILE 74 -7.507 11.078 -20.207 591 2HG2 ILE 74 2HG2 ILE 74 -7.053 9.535 -19.474 592 3HG2 ILE 74 3HG2 ILE 74 -7.127 9.692 -21.224 593 1HD1 ILE 74 1HD1 ILE 74 -5.130 11.380 -23.710 594 2HD1 ILE 74 2HD1 ILE 74 -6.410 10.445 -22.933 595 3HD1 ILE 74 3HD1 ILE 74 -4.756 9.836 -22.946 596 H GLN 75 H GLN 75 -3.843 13.622 -19.119 597 HA GLN 75 HA GLN 75 -6.290 15.140 -19.182 598 1HB GLN 75 1HB GLN 75 -5.371 16.725 -17.500 599 2HB GLN 75 2HB GLN 75 -5.708 15.132 -16.845 600 1HG GLN 75 1HG GLN 75 -3.303 14.605 -16.987 601 2HG GLN 75 2HG GLN 75 -3.001 16.243 -17.567 602 1HE2 GLN 75 1HE2 GLN 75 -1.719 16.767 -15.835 603 2HE2 GLN 75 2HE2 GLN 75 -2.340 17.046 -14.250 Start of MODEL 14 1 1H GLY 2 1H GLY 2 -8.014 -18.210 6.234 2 1HA GLY 2 1HA GLY 2 -8.254 -16.346 4.043 3 2HA GLY 2 2HA GLY 2 -9.089 -17.902 3.901 4 H SER 3 H SER 3 -8.439 -16.163 6.853 5 HA SER 3 HA SER 3 -11.287 -15.701 7.219 6 1HB SER 3 1HB SER 3 -10.894 -16.526 9.584 7 2HB SER 3 2HB SER 3 -10.854 -17.771 8.338 8 HG SER 3 HG SER 3 -9.043 -17.371 10.097 9 H GLU 4 H GLU 4 -8.817 -14.072 6.576 10 HA GLU 4 HA GLU 4 -8.377 -12.598 9.042 11 1HB GLU 4 1HB GLU 4 -7.155 -12.180 6.312 12 2HB GLU 4 2HB GLU 4 -6.754 -11.253 7.741 13 1HG GLU 4 1HG GLU 4 -5.015 -12.811 7.460 14 2HG GLU 4 2HG GLU 4 -5.997 -13.396 8.786 15 H VAL 5 H VAL 5 -10.764 -12.604 6.984 16 HA VAL 5 HA VAL 5 -12.342 -11.197 6.263 17 HB VAL 5 HB VAL 5 -11.409 -9.396 8.531 18 1HG1 VAL 5 1HG1 VAL 5 -14.083 -9.524 7.137 19 2HG1 VAL 5 2HG1 VAL 5 -12.889 -8.237 6.969 20 3HG1 VAL 5 3HG1 VAL 5 -13.688 -8.499 8.517 21 1HG2 VAL 5 1HG2 VAL 5 -11.926 -11.633 9.354 22 2HG2 VAL 5 2HG2 VAL 5 -13.492 -11.585 8.546 23 3HG2 VAL 5 3HG2 VAL 5 -13.158 -10.487 9.882 24 H SER 6 H SER 6 -11.170 -10.937 4.331 25 HA SER 6 HA SER 6 -9.560 -8.520 4.136 26 1HB SER 6 1HB SER 6 -8.629 -10.703 3.341 27 2HB SER 6 2HB SER 6 -9.894 -10.754 2.116 28 HG SER 6 HG SER 6 -8.336 -9.821 1.032 29 H ASP 7 H ASP 7 -12.725 -9.397 3.690 30 HA ASP 7 HA ASP 7 -13.098 -7.750 1.340 31 1HB ASP 7 1HB ASP 7 -15.150 -9.321 2.903 32 2HB ASP 7 2HB ASP 7 -15.521 -8.329 1.496 33 H LYS 8 H LYS 8 -12.226 -6.031 2.474 34 HA LYS 8 HA LYS 8 -14.326 -4.190 3.254 35 1HB LYS 8 1HB LYS 8 -11.821 -4.521 4.961 36 2HB LYS 8 2HB LYS 8 -13.009 -3.245 5.114 37 1HG LYS 8 1HG LYS 8 -14.674 -4.886 5.822 38 2HG LYS 8 2HG LYS 8 -13.479 -6.171 5.649 39 1HD LYS 8 1HD LYS 8 -13.635 -5.518 7.987 40 2HD LYS 8 2HD LYS 8 -12.072 -5.042 7.308 41 1HE LYS 8 1HE LYS 8 -12.857 -2.746 7.046 42 2HE LYS 8 2HE LYS 8 -14.444 -3.202 7.660 43 1HZ LYS 8 1HZ LYS 8 -13.061 -2.139 9.340 44 2HZ LYS 8 2HZ LYS 8 -11.906 -3.358 9.198 45 3HZ LYS 8 3HZ LYS 8 -13.421 -3.711 9.794 46 H ARG 9 H ARG 9 -10.836 -4.469 3.392 47 HA ARG 9 HA ARG 9 -9.116 -3.600 2.288 48 1HB ARG 9 1HB ARG 9 -10.153 -4.406 0.252 49 2HB ARG 9 2HB ARG 9 -11.143 -2.961 0.150 50 1HG ARG 9 1HG ARG 9 -9.136 -1.603 -0.170 51 2HG ARG 9 2HG ARG 9 -8.142 -3.058 -0.073 52 1HD ARG 9 1HD ARG 9 -10.304 -2.537 -2.088 53 2HD ARG 9 2HD ARG 9 -8.574 -2.369 -2.393 54 HE ARG 9 HE ARG 9 -8.862 -4.896 -1.466 55 1HH1 ARG 9 1HH1 ARG 9 -10.252 -3.078 -4.150 56 2HH1 ARG 9 2HH1 ARG 9 -10.517 -4.427 -5.147 57 1HH2 ARG 9 1HH2 ARG 9 -9.207 -6.790 -2.829 58 2HH2 ARG 9 2HH2 ARG 9 -9.907 -6.599 -4.370 59 H THR 10 H THR 10 -11.717 -1.314 1.461 60 HA THR 10 HA THR 10 -10.241 0.997 1.420 61 HB THR 10 HB THR 10 -13.122 0.768 2.327 62 HG1 THR 10 HG1 THR 10 -13.066 1.153 -0.252 63 1HG2 THR 10 1HG2 THR 10 -11.653 2.853 0.686 64 2HG2 THR 10 2HG2 THR 10 -12.112 3.024 2.379 65 3HG2 THR 10 3HG2 THR 10 -13.360 2.912 1.136 66 H CYS 11 H CYS 11 -9.713 2.561 2.966 67 HA CYS 11 HA CYS 11 -9.867 1.613 5.741 68 1HB CYS 11 1HB CYS 11 -7.809 3.381 4.439 69 2HB CYS 11 2HB CYS 11 -7.778 2.775 6.091 70 H VAL 12 H VAL 12 -10.309 3.079 7.332 71 HA VAL 12 HA VAL 12 -11.304 5.717 6.491 72 HB VAL 12 HB VAL 12 -11.870 4.191 9.061 73 1HG1 VAL 12 1HG1 VAL 12 -13.602 5.883 9.457 74 2HG1 VAL 12 2HG1 VAL 12 -13.090 6.733 8.000 75 3HG1 VAL 12 3HG1 VAL 12 -11.991 6.598 9.371 76 1HG2 VAL 12 1HG2 VAL 12 -12.910 3.097 7.146 77 2HG2 VAL 12 2HG2 VAL 12 -13.651 4.623 6.662 78 3HG2 VAL 12 3HG2 VAL 12 -14.129 3.847 8.174 79 H SER 13 H SER 13 -9.346 3.953 8.824 80 HA SER 13 HA SER 13 -8.268 6.417 9.898 81 1HB SER 13 1HB SER 13 -7.857 3.546 10.728 82 2HB SER 13 2HB SER 13 -7.293 4.972 11.597 83 HG SER 13 HG SER 13 -9.655 5.568 11.474 84 H LEU 14 H LEU 14 -6.198 7.069 9.478 85 HA LEU 14 HA LEU 14 -4.643 5.359 7.696 86 1HB LEU 14 1HB LEU 14 -4.565 8.343 8.084 87 2HB LEU 14 2HB LEU 14 -3.394 7.458 7.132 88 HG LEU 14 HG LEU 14 -6.353 7.607 6.550 89 1HD1 LEU 14 1HD1 LEU 14 -4.004 8.910 5.188 90 2HD1 LEU 14 2HD1 LEU 14 -5.245 9.731 6.136 91 3HD1 LEU 14 3HD1 LEU 14 -5.668 8.946 4.617 92 1HD2 LEU 14 1HD2 LEU 14 -5.736 6.544 4.440 93 2HD2 LEU 14 2HD2 LEU 14 -5.417 5.501 5.815 94 3HD2 LEU 14 3HD2 LEU 14 -4.085 6.347 5.019 95 H THR 15 H THR 15 -2.449 5.130 7.927 96 HA THR 15 HA THR 15 -1.505 5.104 10.611 97 HB THR 15 HB THR 15 -0.527 4.119 7.936 98 HG1 THR 15 HG1 THR 15 -2.344 3.102 8.944 99 1HG2 THR 15 1HG2 THR 15 1.131 2.834 9.173 100 2HG2 THR 15 2HG2 THR 15 0.657 3.696 10.662 101 3HG2 THR 15 3HG2 THR 15 1.346 4.581 9.276 102 H THR 16 H THR 16 -0.586 7.046 11.296 103 HA THR 16 HA THR 16 0.736 8.650 9.287 104 HB THR 16 HB THR 16 -0.048 9.513 12.094 105 HG1 THR 16 HG1 THR 16 -1.964 9.376 11.175 106 1HG2 THR 16 1HG2 THR 16 0.705 11.103 9.622 107 2HG2 THR 16 2HG2 THR 16 1.742 10.853 11.021 108 3HG2 THR 16 3HG2 THR 16 0.251 11.780 11.187 109 H GLN 17 H GLN 17 2.289 6.911 9.426 110 HA GLN 17 HA GLN 17 4.632 7.846 10.744 111 1HB GLN 17 1HB GLN 17 5.227 5.678 11.712 112 2HB GLN 17 2HB GLN 17 3.749 6.261 12.467 113 1HG GLN 17 1HG GLN 17 2.452 4.755 11.090 114 2HG GLN 17 2HG GLN 17 3.914 4.208 10.270 115 1HE2 GLN 17 1HE2 GLN 17 3.592 2.092 10.881 116 2HE2 GLN 17 2HE2 GLN 17 3.809 1.541 12.498 117 H ARG 18 H ARG 18 6.255 5.660 9.966 118 HA ARG 18 HA ARG 18 5.559 5.522 7.126 119 1HB ARG 18 1HB ARG 18 8.314 5.746 8.295 120 2HB ARG 18 2HB ARG 18 7.920 5.514 6.602 121 1HG ARG 18 1HG ARG 18 6.690 7.656 6.670 122 2HG ARG 18 2HG ARG 18 7.349 7.920 8.288 123 1HD ARG 18 1HD ARG 18 9.608 7.603 7.377 124 2HD ARG 18 2HD ARG 18 8.817 7.351 5.805 125 HE ARG 18 HE ARG 18 8.095 9.853 6.860 126 1HH1 ARG 18 1HH1 ARG 18 10.806 8.175 5.331 127 2HH1 ARG 18 2HH1 ARG 18 11.454 9.562 4.599 128 1HH2 ARG 18 1HH2 ARG 18 9.016 11.798 5.856 129 2HH2 ARG 18 2HH2 ARG 18 10.435 11.637 4.918 130 H LEU 19 H LEU 19 6.974 3.858 6.017 131 HA LEU 19 HA LEU 19 7.404 1.424 7.563 132 1HB LEU 19 1HB LEU 19 6.040 1.631 4.856 133 2HB LEU 19 2HB LEU 19 6.526 0.136 5.602 134 HG LEU 19 HG LEU 19 4.418 2.000 6.661 135 1HD1 LEU 19 1HD1 LEU 19 2.846 0.234 5.935 136 2HD1 LEU 19 2HD1 LEU 19 4.193 -0.658 5.232 137 3HD1 LEU 19 3HD1 LEU 19 3.738 0.916 4.578 138 1HD2 LEU 19 1HD2 LEU 19 5.247 -0.764 7.550 139 2HD2 LEU 19 2HD2 LEU 19 3.861 0.138 8.159 140 3HD2 LEU 19 3HD2 LEU 19 5.497 0.740 8.442 141 HA PRO 20 HA PRO 20 11.183 1.757 5.329 142 1HB PRO 20 1HB PRO 20 12.048 -0.804 5.215 143 2HB PRO 20 2HB PRO 20 11.998 0.121 6.718 144 1HG PRO 20 1HG PRO 20 10.123 -1.975 5.720 145 2HG PRO 20 2HG PRO 20 10.679 -1.658 7.373 146 1HD PRO 20 1HD PRO 20 8.243 -0.882 6.332 147 2HD PRO 20 2HD PRO 20 8.988 -0.119 7.739 148 H CYS 21 H CYS 21 8.565 0.371 3.876 149 HA CYS 21 HA CYS 21 7.889 -0.049 1.763 150 1HB CYS 21 1HB CYS 21 8.987 2.063 1.139 151 2HB CYS 21 2HB CYS 21 10.508 1.216 0.894 152 H SER 22 H SER 22 11.145 -1.152 2.396 153 HA SER 22 HA SER 22 11.404 -3.121 0.451 154 1HB SER 22 1HB SER 22 13.242 -2.327 1.891 155 2HB SER 22 2HB SER 22 12.475 -3.080 3.283 156 HG SER 22 HG SER 22 13.612 -4.309 1.014 157 H ARG 23 H ARG 23 9.328 -3.058 3.166 158 HA ARG 23 HA ARG 23 8.883 -5.930 2.963 159 1HB ARG 23 1HB ARG 23 8.100 -4.004 5.133 160 2HB ARG 23 2HB ARG 23 7.511 -5.657 5.063 161 1HG ARG 23 1HG ARG 23 9.847 -6.452 5.138 162 2HG ARG 23 2HG ARG 23 10.378 -4.778 5.308 163 1HD ARG 23 1HD ARG 23 9.177 -4.561 7.372 164 2HD ARG 23 2HD ARG 23 8.486 -6.175 7.184 165 HE ARG 23 HE ARG 23 11.325 -6.145 7.154 166 1HH1 ARG 23 1HH1 ARG 23 8.517 -6.126 9.259 167 2HH1 ARG 23 2HH1 ARG 23 9.272 -6.915 10.568 168 1HH2 ARG 23 1HH2 ARG 23 12.415 -7.212 8.958 169 2HH2 ARG 23 2HH2 ARG 23 11.519 -7.554 10.383 170 H ILE 24 H ILE 24 7.781 -3.374 1.407 171 HA ILE 24 HA ILE 24 5.014 -3.995 1.705 172 HB ILE 24 HB ILE 24 6.353 -1.849 0.006 173 1HG1 ILE 24 1HG1 ILE 24 4.542 -1.869 2.412 174 2HG1 ILE 24 2HG1 ILE 24 6.239 -1.402 2.372 175 1HG2 ILE 24 1HG2 ILE 24 4.153 -1.116 -0.661 176 2HG2 ILE 24 2HG2 ILE 24 3.414 -2.498 0.147 177 3HG2 ILE 24 3HG2 ILE 24 4.452 -2.752 -1.255 178 1HD1 ILE 24 1HD1 ILE 24 3.988 -0.141 0.973 179 2HD1 ILE 24 2HD1 ILE 24 5.646 0.449 0.885 180 3HD1 ILE 24 3HD1 ILE 24 4.727 0.520 2.432 181 H LYS 25 H LYS 25 3.807 -5.040 0.542 182 HA LYS 25 HA LYS 25 4.952 -6.925 -1.329 183 1HB LYS 25 1HB LYS 25 3.471 -7.240 0.705 184 2HB LYS 25 2HB LYS 25 2.206 -6.579 -0.275 185 1HG LYS 25 1HG LYS 25 3.707 -9.169 -0.880 186 2HG LYS 25 2HG LYS 25 2.079 -9.076 -0.235 187 1HD LYS 25 1HD LYS 25 1.345 -7.989 -2.331 188 2HD LYS 25 2HD LYS 25 2.984 -8.130 -2.959 189 1HE LYS 25 1HE LYS 25 1.134 -10.392 -2.210 190 2HE LYS 25 2HE LYS 25 1.621 -9.909 -3.832 191 1HZ LYS 25 1HZ LYS 25 3.934 -10.517 -3.234 192 2HZ LYS 25 2HZ LYS 25 2.861 -11.805 -3.114 193 3HZ LYS 25 3HZ LYS 25 3.381 -11.043 -1.726 194 H THR 26 H THR 26 2.149 -4.706 -1.074 195 HA THR 26 HA THR 26 2.281 -3.957 -3.816 196 HB THR 26 HB THR 26 1.148 -6.177 -3.983 197 HG1 THR 26 HG1 THR 26 0.407 -4.845 -5.525 198 1HG2 THR 26 1HG2 THR 26 0.136 -6.261 -1.758 199 2HG2 THR 26 2HG2 THR 26 -1.086 -6.500 -3.004 200 3HG2 THR 26 3HG2 THR 26 -0.949 -4.942 -2.193 201 H TYR 27 H TYR 27 0.436 -2.407 -4.242 202 HA TYR 27 HA TYR 27 -0.607 -1.251 -1.777 203 1HB TYR 27 1HB TYR 27 -0.048 1.033 -2.494 204 2HB TYR 27 2HB TYR 27 1.408 0.117 -2.554 205 HD1 TYR 27 HD1 TYR 27 2.525 -0.332 -4.625 206 HD2 TYR 27 HD2 TYR 27 -1.224 1.621 -4.519 207 HE1 TYR 27 HE1 TYR 27 2.800 0.338 -6.984 208 HE2 TYR 27 HE2 TYR 27 -1.020 2.295 -6.750 209 HH TYR 27 HH TYR 27 1.432 0.942 -8.825 210 H THR 28 H THR 28 -2.487 -0.075 -2.132 211 HA THR 28 HA THR 28 -3.814 -0.247 -4.710 212 HB THR 28 HB THR 28 -5.121 -1.182 -2.138 213 HG1 THR 28 HG1 THR 28 -3.546 -2.472 -3.880 214 1HG2 THR 28 1HG2 THR 28 -6.092 -1.210 -5.007 215 2HG2 THR 28 2HG2 THR 28 -6.700 -0.167 -3.722 216 3HG2 THR 28 3HG2 THR 28 -6.955 -1.912 -3.644 217 H ILE 29 H ILE 29 -4.761 1.699 -5.093 218 HA ILE 29 HA ILE 29 -4.982 3.472 -2.775 219 HB ILE 29 HB ILE 29 -4.916 4.218 -5.717 220 1HG1 ILE 29 1HG1 ILE 29 -2.792 4.499 -3.568 221 2HG1 ILE 29 2HG1 ILE 29 -2.743 3.393 -4.930 222 1HG2 ILE 29 1HG2 ILE 29 -4.887 5.969 -3.250 223 2HG2 ILE 29 2HG2 ILE 29 -6.223 5.802 -4.386 224 3HG2 ILE 29 3HG2 ILE 29 -4.707 6.537 -4.912 225 1HD1 ILE 29 1HD1 ILE 29 -1.337 5.332 -5.315 226 2HD1 ILE 29 2HD1 ILE 29 -2.741 6.380 -5.072 227 3HD1 ILE 29 3HD1 ILE 29 -2.689 5.295 -6.460 228 H THR 30 H THR 30 -6.885 3.920 -2.045 229 HA THR 30 HA THR 30 -9.210 3.365 -3.727 230 HB THR 30 HB THR 30 -10.487 3.438 -1.545 231 HG1 THR 30 HG1 THR 30 -9.208 4.445 -0.109 232 1HG2 THR 30 1HG2 THR 30 -9.850 1.299 -2.568 233 2HG2 THR 30 2HG2 THR 30 -9.786 1.195 -0.813 234 3HG2 THR 30 3HG2 THR 30 -8.294 1.361 -1.741 235 H GLU 31 H GLU 31 -10.210 5.053 -4.540 236 HA GLU 31 HA GLU 31 -9.853 7.633 -3.197 237 1HB GLU 31 1HB GLU 31 -10.273 7.126 -6.154 238 2HB GLU 31 2HB GLU 31 -10.013 8.689 -5.392 239 1HG GLU 31 1HG GLU 31 -7.758 7.974 -4.712 240 2HG GLU 31 2HG GLU 31 -8.030 6.427 -5.506 241 H GLY 32 H GLY 32 -11.674 8.707 -2.668 242 1HA GLY 32 1HA GLY 32 -13.991 9.161 -3.599 243 2HA GLY 32 2HA GLY 32 -14.203 7.420 -3.406 244 H SER 33 H SER 33 -13.913 6.552 -1.223 245 HA SER 33 HA SER 33 -14.818 8.490 0.770 246 1HB SER 33 1HB SER 33 -16.325 6.539 0.266 247 2HB SER 33 2HB SER 33 -15.029 5.461 0.781 248 HG SER 33 HG SER 33 -16.137 7.471 2.452 249 H LEU 34 H LEU 34 -13.012 9.272 1.729 250 HA LEU 34 HA LEU 34 -11.029 9.520 2.522 251 1HB LEU 34 1HB LEU 34 -12.210 8.150 4.316 252 2HB LEU 34 2HB LEU 34 -11.372 6.757 3.686 253 HG LEU 34 HG LEU 34 -10.450 7.660 5.736 254 1HD1 LEU 34 1HD1 LEU 34 -8.944 6.389 4.300 255 2HD1 LEU 34 2HD1 LEU 34 -8.046 7.693 5.085 256 3HD1 LEU 34 3HD1 LEU 34 -8.539 7.850 3.401 257 1HD2 LEU 34 1HD2 LEU 34 -9.736 10.079 4.102 258 2HD2 LEU 34 2HD2 LEU 34 -9.135 9.746 5.728 259 3HD2 LEU 34 3HD2 LEU 34 -10.857 9.991 5.459 260 H ARG 35 H ARG 35 -9.833 9.672 0.788 261 HA ARG 35 HA ARG 35 -8.941 7.460 -0.730 262 1HB ARG 35 1HB ARG 35 -9.203 9.634 -1.770 263 2HB ARG 35 2HB ARG 35 -7.981 10.321 -0.712 264 1HG ARG 35 1HG ARG 35 -6.271 8.970 -1.725 265 2HG ARG 35 2HG ARG 35 -7.475 8.120 -2.691 266 1HD ARG 35 1HD ARG 35 -6.323 9.816 -4.009 267 2HD ARG 35 2HD ARG 35 -8.032 10.198 -3.833 268 HE ARG 35 HE ARG 35 -6.379 11.453 -1.858 269 1HH1 ARG 35 1HH1 ARG 35 -7.723 11.741 -5.126 270 2HH1 ARG 35 2HH1 ARG 35 -7.448 13.413 -5.232 271 1HH2 ARG 35 1HH2 ARG 35 -6.043 13.721 -1.991 272 2HH2 ARG 35 2HH2 ARG 35 -6.473 14.580 -3.404 273 H ALA 36 H ALA 36 -7.467 6.099 -0.222 274 HA ALA 36 HA ALA 36 -5.240 6.933 1.481 275 1HB ALA 36 1HB ALA 36 -5.515 4.943 2.834 276 2HB ALA 36 2HB ALA 36 -6.945 4.496 1.906 277 3HB ALA 36 3HB ALA 36 -6.966 5.950 2.904 278 H VAL 37 H VAL 37 -3.367 5.696 1.180 279 HA VAL 37 HA VAL 37 -3.426 3.910 -1.115 280 HB VAL 37 HB VAL 37 -1.047 4.981 0.423 281 1HG1 VAL 37 1HG1 VAL 37 -1.226 3.568 -2.234 282 2HG1 VAL 37 2HG1 VAL 37 -0.610 2.897 -0.726 283 3HG1 VAL 37 3HG1 VAL 37 0.240 4.227 -1.510 284 1HG2 VAL 37 1HG2 VAL 37 -2.165 5.964 -2.208 285 2HG2 VAL 37 2HG2 VAL 37 -0.671 6.514 -1.421 286 3HG2 VAL 37 3HG2 VAL 37 -2.229 6.795 -0.654 287 H ILE 38 H ILE 38 -3.720 1.900 -0.545 288 HA ILE 38 HA ILE 38 -3.189 1.103 2.185 289 HB ILE 38 HB ILE 38 -4.558 -0.383 -0.064 290 1HG1 ILE 38 1HG1 ILE 38 -5.715 1.178 2.250 291 2HG1 ILE 38 2HG1 ILE 38 -5.696 1.705 0.571 292 1HG2 ILE 38 1HG2 ILE 38 -4.473 -0.919 2.919 293 2HG2 ILE 38 2HG2 ILE 38 -3.657 -1.869 1.681 294 3HG2 ILE 38 3HG2 ILE 38 -5.421 -1.830 1.741 295 1HD1 ILE 38 1HD1 ILE 38 -7.122 -0.176 -0.019 296 2HD1 ILE 38 2HD1 ILE 38 -7.845 0.845 1.238 297 3HD1 ILE 38 3HD1 ILE 38 -7.094 -0.694 1.669 298 H PHE 39 H PHE 39 -1.390 0.189 2.637 299 HA PHE 39 HA PHE 39 0.100 -1.151 0.529 300 1HB PHE 39 1HB PHE 39 1.035 0.146 3.068 301 2HB PHE 39 2HB PHE 39 2.036 -0.960 2.138 302 HD1 PHE 39 HD1 PHE 39 2.063 -0.420 -0.417 303 HD2 PHE 39 HD2 PHE 39 1.318 2.379 2.667 304 HE1 PHE 39 HE1 PHE 39 2.810 1.376 -1.898 305 HE2 PHE 39 HE2 PHE 39 2.054 4.195 1.189 306 HZ PHE 39 HZ PHE 39 2.799 3.617 -1.173 307 H ILE 40 H ILE 40 0.167 -3.188 0.580 308 HA ILE 40 HA ILE 40 -0.609 -4.502 3.057 309 HB ILE 40 HB ILE 40 -0.028 -5.861 0.411 310 1HG1 ILE 40 1HG1 ILE 40 -1.786 -4.188 0.003 311 2HG1 ILE 40 2HG1 ILE 40 -2.439 -5.811 -0.075 312 1HG2 ILE 40 1HG2 ILE 40 -1.511 -7.611 1.396 313 2HG2 ILE 40 2HG2 ILE 40 -1.665 -6.588 2.838 314 3HG2 ILE 40 3HG2 ILE 40 -0.103 -7.275 2.418 315 1HD1 ILE 40 1HD1 ILE 40 -3.964 -4.310 1.090 316 2HD1 ILE 40 2HD1 ILE 40 -2.701 -3.905 2.254 317 3HD1 ILE 40 3HD1 ILE 40 -3.344 -5.546 2.184 318 H THR 41 H THR 41 0.914 -5.320 4.270 319 HA THR 41 HA THR 41 3.642 -5.217 3.357 320 HB THR 41 HB THR 41 3.215 -4.518 5.657 321 HG1 THR 41 HG1 THR 41 5.047 -5.380 6.176 322 1HG2 THR 41 1HG2 THR 41 2.147 -7.303 6.112 323 2HG2 THR 41 2HG2 THR 41 1.198 -5.815 6.108 324 3HG2 THR 41 3HG2 THR 41 2.401 -6.093 7.371 325 H LYS 42 H LYS 42 5.037 -7.181 3.547 326 HA LYS 42 HA LYS 42 3.797 -9.320 2.139 327 1HB LYS 42 1HB LYS 42 6.586 -9.189 3.309 328 2HB LYS 42 2HB LYS 42 6.006 -10.455 2.236 329 1HG LYS 42 1HG LYS 42 5.579 -8.706 0.505 330 2HG LYS 42 2HG LYS 42 6.327 -7.531 1.579 331 1HD LYS 42 1HD LYS 42 7.665 -9.999 0.464 332 2HD LYS 42 2HD LYS 42 7.891 -8.359 -0.137 333 1HE LYS 42 1HE LYS 42 8.840 -7.709 2.033 334 2HE LYS 42 2HE LYS 42 8.598 -9.350 2.633 335 1HZ LYS 42 1HZ LYS 42 10.367 -8.581 0.367 336 2HZ LYS 42 2HZ LYS 42 10.106 -10.150 0.936 337 3HZ LYS 42 3HZ LYS 42 10.866 -9.033 1.923 338 H ARG 43 H ARG 43 3.948 -8.615 5.313 339 HA ARG 43 HA ARG 43 3.857 -11.249 6.434 340 1HB ARG 43 1HB ARG 43 4.538 -9.094 7.618 341 2HB ARG 43 2HB ARG 43 2.862 -8.616 7.592 342 1HG ARG 43 1HG ARG 43 3.913 -11.043 9.053 343 2HG ARG 43 2HG ARG 43 3.728 -9.459 9.781 344 1HD ARG 43 1HD ARG 43 1.316 -9.572 9.287 345 2HD ARG 43 2HD ARG 43 1.543 -11.207 8.657 346 HE ARG 43 HE ARG 43 2.537 -10.798 11.311 347 1HH1 ARG 43 1HH1 ARG 43 -0.332 -11.768 9.406 348 2HH1 ARG 43 2HH1 ARG 43 -1.077 -12.545 10.715 349 1HH2 ARG 43 1HH2 ARG 43 1.447 -11.832 13.087 350 2HH2 ARG 43 2HH2 ARG 43 -0.061 -12.577 12.868 351 H GLY 44 H GLY 44 1.630 -9.244 4.693 352 1HA GLY 44 1HA GLY 44 -0.327 -10.140 3.732 353 2HA GLY 44 2HA GLY 44 -0.466 -11.262 5.069 354 H LEU 45 H LEU 45 0.190 -8.198 6.190 355 HA LEU 45 HA LEU 45 -2.677 -7.749 6.830 356 1HB LEU 45 1HB LEU 45 -0.208 -6.654 8.148 357 2HB LEU 45 2HB LEU 45 -1.862 -6.286 8.603 358 HG LEU 45 HG LEU 45 -0.538 -8.981 8.785 359 1HD1 LEU 45 1HD1 LEU 45 -1.405 -7.024 10.884 360 2HD1 LEU 45 2HD1 LEU 45 0.267 -7.400 10.437 361 3HD1 LEU 45 3HD1 LEU 45 -0.748 -8.633 11.205 362 1HD2 LEU 45 1HD2 LEU 45 -2.910 -9.222 8.304 363 2HD2 LEU 45 2HD2 LEU 45 -3.305 -8.103 9.606 364 3HD2 LEU 45 3HD2 LEU 45 -2.578 -9.664 9.978 365 H LYS 46 H LYS 46 -3.523 -5.810 6.855 366 HA LYS 46 HA LYS 46 -2.770 -4.270 4.512 367 1HB LYS 46 1HB LYS 46 -5.247 -4.490 6.176 368 2HB LYS 46 2HB LYS 46 -5.062 -3.342 4.855 369 1HG LYS 46 1HG LYS 46 -4.971 -5.023 3.279 370 2HG LYS 46 2HG LYS 46 -4.694 -6.271 4.507 371 1HD LYS 46 1HD LYS 46 -6.739 -6.098 5.328 372 2HD LYS 46 2HD LYS 46 -7.162 -4.568 4.523 373 1HE LYS 46 1HE LYS 46 -8.341 -6.354 3.401 374 2HE LYS 46 2HE LYS 46 -7.004 -5.819 2.386 375 1HZ LYS 46 1HZ LYS 46 -6.860 -8.208 4.153 376 2HZ LYS 46 2HZ LYS 46 -5.745 -7.753 2.958 377 3HZ LYS 46 3HZ LYS 46 -7.274 -8.257 2.528 378 H VAL 47 H VAL 47 -1.694 -2.501 4.821 379 HA VAL 47 HA VAL 47 -2.144 -0.965 7.276 380 HB VAL 47 HB VAL 47 0.221 -0.765 5.371 381 1HG1 VAL 47 1HG1 VAL 47 -0.171 1.310 6.545 382 2HG1 VAL 47 2HG1 VAL 47 1.290 0.550 7.180 383 3HG1 VAL 47 3HG1 VAL 47 -0.214 0.461 8.087 384 1HG2 VAL 47 1HG2 VAL 47 1.555 -1.885 7.117 385 2HG2 VAL 47 2HG2 VAL 47 0.268 -2.921 6.498 386 3HG2 VAL 47 3HG2 VAL 47 0.085 -2.136 8.062 387 H CYS 48 H CYS 48 -2.614 1.310 6.965 388 HA CYS 48 HA CYS 48 -3.346 1.934 4.174 389 1HB CYS 48 1HB CYS 48 -4.714 2.921 6.686 390 2HB CYS 48 2HB CYS 48 -5.263 3.085 5.028 391 H ALA 49 H ALA 49 -2.302 3.758 3.461 392 HA ALA 49 HA ALA 49 -1.009 5.440 5.475 393 1HB ALA 49 1HB ALA 49 0.108 4.571 2.823 394 2HB ALA 49 2HB ALA 49 0.575 3.937 4.403 395 3HB ALA 49 3HB ALA 49 0.907 5.621 3.996 396 H ASP 50 H ASP 50 -0.650 7.596 4.905 397 HA ASP 50 HA ASP 50 -2.806 8.789 3.438 398 1HB ASP 50 1HB ASP 50 -1.833 9.750 5.532 399 2HB ASP 50 2HB ASP 50 -0.352 10.080 4.651 400 HA PRO 51 HA PRO 51 -0.653 8.602 -0.512 401 1HB PRO 51 1HB PRO 51 -2.341 10.250 -1.878 402 2HB PRO 51 2HB PRO 51 -2.753 8.582 -1.468 403 1HG PRO 51 1HG PRO 51 -3.520 11.113 -0.070 404 2HG PRO 51 2HG PRO 51 -4.537 9.725 -0.499 405 1HD PRO 51 1HD PRO 51 -3.604 10.051 1.977 406 2HD PRO 51 2HD PRO 51 -3.719 8.429 1.250 407 H GLN 52 H GLN 52 -1.022 11.500 1.369 408 HA GLN 52 HA GLN 52 0.369 13.077 -0.629 409 1HB GLN 52 1HB GLN 52 -0.672 13.891 2.086 410 2HB GLN 52 2HB GLN 52 -0.022 14.977 0.866 411 1HG GLN 52 1HG GLN 52 -2.525 13.319 0.634 412 2HG GLN 52 2HG GLN 52 -2.445 15.060 0.906 413 1HE2 GLN 52 1HE2 GLN 52 -1.858 16.390 -0.801 414 2HE2 GLN 52 2HE2 GLN 52 -1.886 15.846 -2.438 415 H ALA 53 H ALA 53 1.084 11.069 1.939 416 HA ALA 53 HA ALA 53 3.416 12.376 2.975 417 1HB ALA 53 1HB ALA 53 2.714 9.447 2.965 418 2HB ALA 53 2HB ALA 53 2.220 10.598 4.206 419 3HB ALA 53 3HB ALA 53 3.930 10.228 3.976 420 H THR 54 H THR 54 5.399 12.455 2.318 421 HA THR 54 HA THR 54 6.000 12.039 -0.349 422 HB THR 54 HB THR 54 7.814 12.466 2.032 423 HG1 THR 54 HG1 THR 54 6.391 14.121 0.260 424 1HG2 THR 54 1HG2 THR 54 8.335 12.974 -0.914 425 2HG2 THR 54 2HG2 THR 54 9.069 11.686 0.038 426 3HG2 THR 54 3HG2 THR 54 9.430 13.373 0.412 427 H TRP 55 H TRP 55 6.534 10.027 2.452 428 HA TRP 55 HA TRP 55 8.339 8.252 1.074 429 1HB TRP 55 1HB TRP 55 8.281 6.821 3.022 430 2HB TRP 55 2HB TRP 55 8.311 8.485 3.577 431 HD1 TRP 55 HD1 TRP 55 6.110 9.398 4.668 432 HE1 TRP 55 HE1 TRP 55 4.133 8.167 5.853 433 HE3 TRP 55 HE3 TRP 55 6.905 4.756 2.866 434 HZ2 TRP 55 HZ2 TRP 55 3.114 5.607 5.960 435 HZ3 TRP 55 HZ3 TRP 55 5.382 2.933 3.511 436 HH2 TRP 55 HH2 TRP 55 3.512 3.342 5.031 437 H VAL 56 H VAL 56 4.938 8.473 1.530 438 HA VAL 56 HA VAL 56 4.258 5.877 0.641 439 HB VAL 56 HB VAL 56 2.662 8.451 0.783 440 1HG1 VAL 56 1HG1 VAL 56 1.745 7.090 -1.021 441 2HG1 VAL 56 2HG1 VAL 56 0.659 7.069 0.370 442 3HG1 VAL 56 3HG1 VAL 56 1.694 5.684 0.031 443 1HG2 VAL 56 1HG2 VAL 56 1.547 7.343 2.623 444 2HG2 VAL 56 2HG2 VAL 56 3.291 7.433 2.906 445 3HG2 VAL 56 3HG2 VAL 56 2.554 5.921 2.390 446 H ARG 57 H ARG 57 4.396 9.034 -0.880 447 HA ARG 57 HA ARG 57 3.814 8.215 -3.469 448 1HB ARG 57 1HB ARG 57 5.571 10.464 -2.512 449 2HB ARG 57 2HB ARG 57 5.066 10.247 -4.187 450 1HG ARG 57 1HG ARG 57 2.759 10.393 -3.519 451 2HG ARG 57 2HG ARG 57 3.238 10.617 -1.841 452 1HD ARG 57 1HD ARG 57 4.368 12.667 -2.388 453 2HD ARG 57 2HD ARG 57 4.019 12.449 -4.104 454 HE ARG 57 HE ARG 57 1.581 12.407 -3.027 455 1HH1 ARG 57 1HH1 ARG 57 4.270 14.636 -2.497 456 2HH1 ARG 57 2HH1 ARG 57 3.305 16.012 -2.314 457 1HH2 ARG 57 1HH2 ARG 57 0.235 14.262 -2.786 458 2HH2 ARG 57 2HH2 ARG 57 0.903 15.799 -2.475 459 H ASP 58 H ASP 58 6.807 8.269 -1.725 460 HA ASP 58 HA ASP 58 8.511 7.432 -3.779 461 1HB ASP 58 1HB ASP 58 9.544 8.199 -1.786 462 2HB ASP 58 2HB ASP 58 8.710 7.001 -0.803 463 H CYS 59 H CYS 59 6.598 5.412 -1.535 464 HA CYS 59 HA CYS 59 7.810 3.058 -2.768 465 1HB CYS 59 1HB CYS 59 7.390 3.350 -0.370 466 2HB CYS 59 2HB CYS 59 5.685 3.043 -0.689 467 H VAL 60 H VAL 60 4.687 4.680 -2.659 468 HA VAL 60 HA VAL 60 3.207 2.654 -3.922 469 HB VAL 60 HB VAL 60 2.318 4.897 -2.758 470 1HG1 VAL 60 1HG1 VAL 60 3.578 6.426 -4.179 471 2HG1 VAL 60 2HG1 VAL 60 1.810 6.691 -4.242 472 3HG1 VAL 60 3HG1 VAL 60 2.624 5.822 -5.551 473 1HG2 VAL 60 1HG2 VAL 60 0.848 3.246 -3.742 474 2HG2 VAL 60 2HG2 VAL 60 1.068 3.990 -5.331 475 3HG2 VAL 60 3HG2 VAL 60 0.288 4.888 -4.024 476 H ARG 61 H ARG 61 5.533 4.892 -4.886 477 HA ARG 61 HA ARG 61 4.921 4.382 -7.712 478 1HB ARG 61 1HB ARG 61 6.682 6.539 -6.581 479 2HB ARG 61 2HB ARG 61 6.558 6.184 -8.297 480 1HG ARG 61 1HG ARG 61 4.138 6.621 -8.177 481 2HG ARG 61 2HG ARG 61 4.339 7.086 -6.487 482 1HD ARG 61 1HD ARG 61 5.821 8.878 -7.137 483 2HD ARG 61 2HD ARG 61 5.706 8.390 -8.834 484 HE ARG 61 HE ARG 61 3.486 9.424 -7.214 485 1HH1 ARG 61 1HH1 ARG 61 5.146 9.119 -10.358 486 2HH1 ARG 61 2HH1 ARG 61 3.948 9.918 -11.217 487 1HH2 ARG 61 1HH2 ARG 61 1.843 10.556 -8.425 488 2HH2 ARG 61 2HH2 ARG 61 1.994 10.773 -10.098 489 H SER 62 H SER 62 7.347 3.793 -5.327 490 HA SER 62 HA SER 62 9.413 2.972 -6.985 491 1HB SER 62 1HB SER 62 9.537 3.249 -4.474 492 2HB SER 62 2HB SER 62 8.638 1.744 -4.322 493 HG SER 62 HG SER 62 11.247 2.224 -5.037 494 H MET 63 H MET 63 6.702 1.125 -5.603 495 HA MET 63 HA MET 63 7.366 -1.360 -6.776 496 1HB MET 63 1HB MET 63 4.628 -0.327 -5.991 497 2HB MET 63 2HB MET 63 5.029 -2.011 -6.278 498 1HG MET 63 1HG MET 63 6.147 -0.273 -4.083 499 2HG MET 63 2HG MET 63 4.889 -1.489 -3.894 500 1HE MET 63 1HE MET 63 5.300 -4.083 -4.082 501 2HE MET 63 2HE MET 63 6.845 -4.808 -4.513 502 3HE MET 63 3HE MET 63 5.944 -3.888 -5.716 503 H ASP 64 H ASP 64 5.321 1.266 -7.833 504 HA ASP 64 HA ASP 64 4.250 0.274 -10.212 505 1HB ASP 64 1HB ASP 64 3.464 2.316 -9.172 506 2HB ASP 64 2HB ASP 64 5.047 3.051 -9.346 507 H ARG 65 H ARG 65 7.194 2.010 -9.551 508 HA ARG 65 HA ARG 65 8.258 2.299 -12.149 509 1HB ARG 65 1HB ARG 65 8.811 3.623 -10.144 510 2HB ARG 65 2HB ARG 65 9.595 2.217 -9.460 511 1HG ARG 65 1HG ARG 65 11.267 2.297 -11.215 512 2HG ARG 65 2HG ARG 65 10.461 3.705 -11.929 513 1HD ARG 65 1HD ARG 65 11.716 3.495 -9.200 514 2HD ARG 65 2HD ARG 65 12.253 4.503 -10.547 515 HE ARG 65 HE ARG 65 9.820 5.428 -10.241 516 1HH1 ARG 65 1HH1 ARG 65 12.268 4.799 -7.757 517 2HH1 ARG 65 2HH1 ARG 65 11.583 5.893 -6.638 518 1HH2 ARG 65 1HH2 ARG 65 8.907 6.895 -8.698 519 2HH2 ARG 65 2HH2 ARG 65 9.659 7.109 -7.170 520 H LYS 66 H LYS 66 8.644 -0.106 -9.614 521 HA LYS 66 HA LYS 66 10.733 -1.562 -10.867 522 1HB LYS 66 1HB LYS 66 8.794 -2.396 -8.697 523 2HB LYS 66 2HB LYS 66 10.212 -3.316 -9.190 524 1HG LYS 66 1HG LYS 66 11.673 -1.545 -8.447 525 2HG LYS 66 2HG LYS 66 10.291 -0.517 -8.090 526 1HD LYS 66 1HD LYS 66 11.166 -1.465 -6.039 527 2HD LYS 66 2HD LYS 66 9.570 -2.125 -6.369 528 1HE LYS 66 1HE LYS 66 10.597 -4.161 -7.261 529 2HE LYS 66 2HE LYS 66 12.196 -3.489 -6.948 530 1HZ LYS 66 1HZ LYS 66 10.154 -4.037 -4.861 531 2HZ LYS 66 2HZ LYS 66 11.709 -3.463 -4.596 532 3HZ LYS 66 3HZ LYS 66 11.479 -5.018 -5.212 533 H SER 67 H SER 67 7.229 -2.293 -10.485 534 HA SER 67 HA SER 67 7.235 -3.482 -13.084 535 1HB SER 67 1HB SER 67 6.785 -5.254 -10.671 536 2HB SER 67 2HB SER 67 6.406 -5.719 -12.327 537 HG SER 67 HG SER 67 8.932 -4.724 -12.000 538 H ASN 68 H ASN 68 5.651 -2.059 -13.659 539 HA ASN 68 HA ASN 68 3.018 -2.994 -13.380 540 1HB ASN 68 1HB ASN 68 3.105 -1.759 -11.190 541 2HB ASN 68 2HB ASN 68 3.450 -0.283 -12.097 542 1HD2 ASN 68 1HD2 ASN 68 1.030 -2.622 -11.289 543 2HD2 ASN 68 2HD2 ASN 68 -0.321 -1.759 -11.922 544 H THR 69 H THR 69 4.791 -0.005 -13.939 545 HA THR 69 HA THR 69 3.307 0.251 -16.446 546 HB THR 69 HB THR 69 2.959 2.081 -14.847 547 HG1 THR 69 HG1 THR 69 2.802 3.287 -16.561 548 1HG2 THR 69 1HG2 THR 69 5.875 2.533 -15.276 549 2HG2 THR 69 2HG2 THR 69 5.113 1.958 -13.790 550 3HG2 THR 69 3HG2 THR 69 4.811 3.618 -14.356 551 H ARG 70 H ARG 70 4.567 1.397 -18.152 552 HA ARG 70 HA ARG 70 7.175 0.176 -18.479 553 1HB ARG 70 1HB ARG 70 5.555 1.951 -20.301 554 2HB ARG 70 2HB ARG 70 7.096 1.232 -20.726 555 1HG ARG 70 1HG ARG 70 6.119 -0.985 -20.545 556 2HG ARG 70 2HG ARG 70 4.567 -0.272 -20.098 557 1HD ARG 70 1HD ARG 70 4.474 0.896 -22.216 558 2HD ARG 70 2HD ARG 70 6.046 0.244 -22.669 559 HE ARG 70 HE ARG 70 4.088 -1.749 -22.053 560 1HH1 ARG 70 1HH1 ARG 70 5.373 0.354 -24.590 561 2HH1 ARG 70 2HH1 ARG 70 4.816 -0.625 -25.867 562 1HH2 ARG 70 1HH2 ARG 70 3.337 -3.076 -23.788 563 2HH2 ARG 70 2HH2 ARG 70 3.636 -2.623 -25.409 564 H ASN 71 H ASN 71 8.950 1.207 -17.838 565 HA ASN 71 HA ASN 71 9.371 3.959 -18.288 566 1HB ASN 71 1HB ASN 71 9.540 4.762 -15.989 567 2HB ASN 71 2HB ASN 71 7.932 4.118 -16.228 568 1HD2 ASN 71 1HD2 ASN 71 8.902 1.259 -15.840 569 2HD2 ASN 71 2HD2 ASN 71 9.213 1.150 -14.155 570 H ASN 72 H ASN 72 11.525 4.449 -16.753 571 HA ASN 72 HA ASN 72 13.405 2.607 -17.762 572 1HB ASN 72 1HB ASN 72 13.750 4.809 -15.707 573 2HB ASN 72 2HB ASN 72 15.078 3.814 -16.273 574 1HD2 ASN 72 1HD2 ASN 72 16.167 5.565 -17.132 575 2HD2 ASN 72 2HD2 ASN 72 15.659 6.371 -18.566 576 H MET 73 H MET 73 13.282 0.621 -17.158 577 HA MET 73 HA MET 73 12.814 -0.148 -14.446 578 1HB MET 73 1HB MET 73 11.949 -1.475 -16.342 579 2HB MET 73 2HB MET 73 13.595 -1.834 -16.834 580 1HG MET 73 1HG MET 73 13.971 -3.023 -14.749 581 2HG MET 73 2HG MET 73 12.329 -2.650 -14.232 582 1HE MET 73 1HE MET 73 11.850 -5.176 -13.753 583 2HE MET 73 2HE MET 73 13.489 -5.602 -14.247 584 3HE MET 73 3HE MET 73 12.112 -6.474 -14.916 585 H ILE 74 H ILE 74 15.479 0.085 -16.695 586 HA ILE 74 HA ILE 74 17.293 -0.623 -14.551 587 HB ILE 74 HB ILE 74 19.066 -0.688 -16.277 588 1HG1 ILE 74 1HG1 ILE 74 16.796 -0.361 -18.256 589 2HG1 ILE 74 2HG1 ILE 74 18.040 0.839 -17.927 590 1HG2 ILE 74 1HG2 ILE 74 18.006 -2.744 -15.609 591 2HG2 ILE 74 2HG2 ILE 74 18.377 -2.804 -17.333 592 3HG2 ILE 74 3HG2 ILE 74 16.723 -2.499 -16.794 593 1HD1 ILE 74 1HD1 ILE 74 18.481 -0.348 -19.995 594 2HD1 ILE 74 2HD1 ILE 74 18.454 -1.886 -19.131 595 3HD1 ILE 74 3HD1 ILE 74 19.730 -0.715 -18.803 596 H GLN 75 H GLN 75 18.750 0.777 -13.825 597 HA GLN 75 HA GLN 75 18.741 3.490 -14.883 598 1HB GLN 75 1HB GLN 75 17.193 3.377 -12.933 599 2HB GLN 75 2HB GLN 75 18.510 2.760 -11.950 600 1HG GLN 75 1HG GLN 75 19.737 4.857 -12.294 601 2HG GLN 75 2HG GLN 75 18.391 5.475 -13.256 602 1HE2 GLN 75 1HE2 GLN 75 16.450 6.002 -12.208 603 2HE2 GLN 75 2HE2 GLN 75 16.390 6.252 -10.503 Start of MODEL 15 1 1H GLY 2 1H GLY 2 -5.939 -10.969 13.469 2 1HA GLY 2 1HA GLY 2 -5.887 -11.186 11.116 3 2HA GLY 2 2HA GLY 2 -7.433 -12.021 11.189 4 H SER 3 H SER 3 -6.480 -9.626 9.712 5 HA SER 3 HA SER 3 -8.279 -7.573 10.699 6 1HB SER 3 1HB SER 3 -6.414 -7.590 8.304 7 2HB SER 3 2HB SER 3 -7.232 -6.180 8.979 8 HG SER 3 HG SER 3 -5.418 -6.007 10.046 9 H GLU 4 H GLU 4 -10.382 -7.970 10.105 10 HA GLU 4 HA GLU 4 -10.758 -9.131 7.452 11 1HB GLU 4 1HB GLU 4 -10.841 -10.901 9.074 12 2HB GLU 4 2HB GLU 4 -12.110 -10.060 9.947 13 1HG GLU 4 1HG GLU 4 -13.614 -10.314 8.075 14 2HG GLU 4 2HG GLU 4 -12.336 -11.093 7.137 15 H VAL 5 H VAL 5 -11.572 -7.483 6.446 16 HA VAL 5 HA VAL 5 -14.363 -7.069 6.766 17 HB VAL 5 HB VAL 5 -14.183 -4.511 6.311 18 1HG1 VAL 5 1HG1 VAL 5 -14.978 -5.332 8.455 19 2HG1 VAL 5 2HG1 VAL 5 -13.976 -3.894 8.676 20 3HG1 VAL 5 3HG1 VAL 5 -13.316 -5.489 9.028 21 1HG2 VAL 5 1HG2 VAL 5 -12.189 -3.381 7.163 22 2HG2 VAL 5 2HG2 VAL 5 -11.802 -4.437 5.804 23 3HG2 VAL 5 3HG2 VAL 5 -11.435 -4.947 7.452 24 H SER 6 H SER 6 -14.749 -8.126 5.001 25 HA SER 6 HA SER 6 -13.139 -7.636 2.666 26 1HB SER 6 1HB SER 6 -13.538 -9.965 3.376 27 2HB SER 6 2HB SER 6 -15.267 -9.730 3.145 28 HG SER 6 HG SER 6 -13.388 -9.323 1.079 29 H ASP 7 H ASP 7 -13.787 -5.689 1.961 30 HA ASP 7 HA ASP 7 -15.795 -5.567 0.034 31 1HB ASP 7 1HB ASP 7 -17.298 -5.305 2.048 32 2HB ASP 7 2HB ASP 7 -16.335 -3.935 2.567 33 H LYS 8 H LYS 8 -15.721 -3.238 -0.870 34 HA LYS 8 HA LYS 8 -13.002 -2.382 -0.901 35 1HB LYS 8 1HB LYS 8 -13.733 -0.637 -2.409 36 2HB LYS 8 2HB LYS 8 -14.451 -2.172 -2.858 37 1HG LYS 8 1HG LYS 8 -16.536 -1.522 -1.826 38 2HG LYS 8 2HG LYS 8 -15.827 0.020 -1.335 39 1HD LYS 8 1HD LYS 8 -17.070 0.415 -3.341 40 2HD LYS 8 2HD LYS 8 -15.329 0.460 -3.686 41 1HE LYS 8 1HE LYS 8 -16.563 -0.754 -5.441 42 2HE LYS 8 2HE LYS 8 -15.413 -1.790 -4.606 43 1HZ LYS 8 1HZ LYS 8 -18.343 -1.692 -4.124 44 2HZ LYS 8 2HZ LYS 8 -17.278 -2.660 -3.271 45 3HZ LYS 8 3HZ LYS 8 -17.511 -2.916 -4.913 46 H ARG 9 H ARG 9 -12.560 0.109 -0.588 47 HA ARG 9 HA ARG 9 -12.018 1.606 1.077 48 1HB ARG 9 1HB ARG 9 -14.938 1.325 1.880 49 2HB ARG 9 2HB ARG 9 -13.885 2.688 2.220 50 1HG ARG 9 1HG ARG 9 -13.770 3.091 -0.254 51 2HG ARG 9 2HG ARG 9 -15.019 1.856 -0.439 52 1HD ARG 9 1HD ARG 9 -15.206 4.451 1.073 53 2HD ARG 9 2HD ARG 9 -16.054 4.023 -0.408 54 HE ARG 9 HE ARG 9 -16.803 2.145 1.430 55 1HH1 ARG 9 1HH1 ARG 9 -17.079 5.666 1.074 56 2HH1 ARG 9 2HH1 ARG 9 -18.377 5.803 2.158 57 1HH2 ARG 9 1HH2 ARG 9 -18.663 2.375 2.918 58 2HH2 ARG 9 2HH2 ARG 9 -19.281 3.946 3.194 59 H THR 10 H THR 10 -11.539 -1.048 1.591 60 HA THR 10 HA THR 10 -12.515 -2.174 3.966 61 HB THR 10 HB THR 10 -11.439 -3.362 2.122 62 HG1 THR 10 HG1 THR 10 -11.508 -4.544 3.993 63 1HG2 THR 10 1HG2 THR 10 -9.592 -1.891 1.617 64 2HG2 THR 10 2HG2 THR 10 -8.969 -3.503 1.969 65 3HG2 THR 10 3HG2 THR 10 -8.852 -2.228 3.182 66 H CYS 11 H CYS 11 -10.508 0.409 3.592 67 HA CYS 11 HA CYS 11 -10.011 0.551 6.425 68 1HB CYS 11 1HB CYS 11 -7.992 -0.555 5.571 69 2HB CYS 11 2HB CYS 11 -7.785 0.727 4.390 70 H VAL 12 H VAL 12 -9.943 2.670 7.087 71 HA VAL 12 HA VAL 12 -10.070 4.761 5.027 72 HB VAL 12 HB VAL 12 -11.814 5.931 6.341 73 1HG1 VAL 12 1HG1 VAL 12 -12.608 3.193 5.306 74 2HG1 VAL 12 2HG1 VAL 12 -12.450 4.656 4.338 75 3HG1 VAL 12 3HG1 VAL 12 -13.721 4.536 5.556 76 1HG2 VAL 12 1HG2 VAL 12 -13.192 4.645 7.947 77 2HG2 VAL 12 2HG2 VAL 12 -11.527 4.844 8.494 78 3HG2 VAL 12 3HG2 VAL 12 -12.052 3.308 7.816 79 H SER 13 H SER 13 -8.666 3.677 7.833 80 HA SER 13 HA SER 13 -8.153 6.356 8.841 81 1HB SER 13 1HB SER 13 -7.539 3.661 9.999 82 2HB SER 13 2HB SER 13 -7.335 5.231 10.810 83 HG SER 13 HG SER 13 -9.672 5.457 10.316 84 H LEU 14 H LEU 14 -6.223 7.255 8.600 85 HA LEU 14 HA LEU 14 -4.168 5.781 7.141 86 1HB LEU 14 1HB LEU 14 -4.445 8.716 7.752 87 2HB LEU 14 2HB LEU 14 -3.216 7.997 6.730 88 HG LEU 14 HG LEU 14 -6.167 7.954 6.174 89 1HD1 LEU 14 1HD1 LEU 14 -3.961 9.599 4.935 90 2HD1 LEU 14 2HD1 LEU 14 -5.259 10.209 5.964 91 3HD1 LEU 14 3HD1 LEU 14 -5.626 9.543 4.373 92 1HD2 LEU 14 1HD2 LEU 14 -5.042 6.035 5.219 93 2HD2 LEU 14 2HD2 LEU 14 -3.823 7.088 4.497 94 3HD2 LEU 14 3HD2 LEU 14 -5.486 7.167 3.942 95 H THR 15 H THR 15 -2.120 5.574 7.914 96 HA THR 15 HA THR 15 -1.848 5.821 10.778 97 HB THR 15 HB THR 15 -0.999 3.764 9.606 98 HG1 THR 15 HG1 THR 15 -0.066 4.395 11.577 99 1HG2 THR 15 1HG2 THR 15 1.092 3.877 8.319 100 2HG2 THR 15 2HG2 THR 15 1.091 5.634 8.467 101 3HG2 THR 15 3HG2 THR 15 -0.174 4.827 7.539 102 H THR 16 H THR 16 0.043 6.898 11.730 103 HA THR 16 HA THR 16 0.958 9.122 10.094 104 HB THR 16 HB THR 16 1.421 10.232 12.329 105 HG1 THR 16 HG1 THR 16 1.131 9.099 14.025 106 1HG2 THR 16 1HG2 THR 16 -0.934 10.846 12.741 107 2HG2 THR 16 2HG2 THR 16 -1.455 9.484 11.749 108 3HG2 THR 16 3HG2 THR 16 -0.571 10.817 11.014 109 H GLN 17 H GLN 17 1.855 6.205 10.865 110 HA GLN 17 HA GLN 17 4.635 6.784 11.604 111 1HB GLN 17 1HB GLN 17 3.135 4.169 11.353 112 2HB GLN 17 2HB GLN 17 4.814 4.326 11.827 113 1HG GLN 17 1HG GLN 17 4.155 5.487 13.852 114 2HG GLN 17 2HG GLN 17 2.461 5.415 13.353 115 1HE2 GLN 17 1HE2 GLN 17 1.385 3.464 13.427 116 2HE2 GLN 17 2HE2 GLN 17 1.979 2.099 14.296 117 H ARG 18 H ARG 18 6.298 5.850 10.261 118 HA ARG 18 HA ARG 18 5.429 5.434 7.493 119 1HB ARG 18 1HB ARG 18 8.183 5.962 8.563 120 2HB ARG 18 2HB ARG 18 7.730 5.809 6.867 121 1HG ARG 18 1HG ARG 18 6.205 7.776 7.256 122 2HG ARG 18 2HG ARG 18 7.044 7.988 8.796 123 1HD ARG 18 1HD ARG 18 8.248 7.842 6.108 124 2HD ARG 18 2HD ARG 18 8.012 9.356 6.997 125 HE ARG 18 HE ARG 18 9.617 7.304 8.311 126 1HH1 ARG 18 1HH1 ARG 18 9.698 10.259 6.344 127 2HH1 ARG 18 2HH1 ARG 18 11.331 10.579 6.687 128 1HH2 ARG 18 1HH2 ARG 18 11.876 7.781 8.755 129 2HH2 ARG 18 2HH2 ARG 18 12.584 9.161 8.043 130 H LEU 19 H LEU 19 7.060 3.760 6.378 131 HA LEU 19 HA LEU 19 7.803 1.670 8.241 132 1HB LEU 19 1HB LEU 19 6.847 -0.048 6.584 133 2HB LEU 19 2HB LEU 19 5.690 0.886 7.558 134 HG LEU 19 HG LEU 19 5.308 2.215 5.681 135 1HD1 LEU 19 1HD1 LEU 19 6.935 0.155 4.120 136 2HD1 LEU 19 2HD1 LEU 19 7.409 1.821 4.412 137 3HD1 LEU 19 3HD1 LEU 19 6.022 1.486 3.388 138 1HD2 LEU 19 1HD2 LEU 19 3.941 0.536 4.470 139 2HD2 LEU 19 2HD2 LEU 19 3.866 0.436 6.241 140 3HD2 LEU 19 3HD2 LEU 19 4.844 -0.713 5.338 141 HA PRO 20 HA PRO 20 11.302 1.123 5.474 142 1HB PRO 20 1HB PRO 20 11.190 -1.781 5.523 143 2HB PRO 20 2HB PRO 20 12.358 -0.733 6.326 144 1HG PRO 20 1HG PRO 20 10.426 -2.252 7.575 145 2HG PRO 20 2HG PRO 20 11.250 -0.865 8.318 146 1HD PRO 20 1HD PRO 20 8.531 -1.099 7.168 147 2HD PRO 20 2HD PRO 20 9.081 -0.009 8.439 148 H CYS 21 H CYS 21 11.275 1.102 3.254 149 HA CYS 21 HA CYS 21 8.768 0.621 2.029 150 1HB CYS 21 1HB CYS 21 10.606 2.333 1.320 151 2HB CYS 21 2HB CYS 21 11.295 0.971 0.448 152 H SER 22 H SER 22 11.530 -1.369 2.457 153 HA SER 22 HA SER 22 10.959 -3.153 0.340 154 1HB SER 22 1HB SER 22 13.227 -2.908 1.309 155 2HB SER 22 2HB SER 22 12.646 -3.626 2.810 156 HG SER 22 HG SER 22 12.123 -5.085 0.533 157 H ARG 23 H ARG 23 9.333 -2.699 3.346 158 HA ARG 23 HA ARG 23 8.600 -5.491 3.418 159 1HB ARG 23 1HB ARG 23 7.307 -5.118 5.400 160 2HB ARG 23 2HB ARG 23 8.853 -4.311 5.583 161 1HG ARG 23 1HG ARG 23 7.872 -2.240 5.094 162 2HG ARG 23 2HG ARG 23 6.312 -2.996 4.767 163 1HD ARG 23 1HD ARG 23 7.764 -3.050 7.419 164 2HD ARG 23 2HD ARG 23 6.339 -2.053 7.077 165 HE ARG 23 HE ARG 23 5.794 -4.787 6.564 166 1HH1 ARG 23 1HH1 ARG 23 6.164 -2.566 9.303 167 2HH1 ARG 23 2HH1 ARG 23 5.283 -3.549 10.375 168 1HH2 ARG 23 1HH2 ARG 23 4.606 -6.073 8.000 169 2HH2 ARG 23 2HH2 ARG 23 4.352 -5.583 9.614 170 H ILE 24 H ILE 24 7.744 -2.998 1.592 171 HA ILE 24 HA ILE 24 4.897 -3.264 1.497 172 HB ILE 24 HB ILE 24 6.825 -2.053 -0.542 173 1HG1 ILE 24 1HG1 ILE 24 6.738 -0.924 1.750 174 2HG1 ILE 24 2HG1 ILE 24 6.313 0.099 0.385 175 1HG2 ILE 24 1HG2 ILE 24 3.844 -1.806 -0.342 176 2HG2 ILE 24 2HG2 ILE 24 4.706 -2.777 -1.505 177 3HG2 ILE 24 3HG2 ILE 24 4.875 -1.004 -1.540 178 1HD1 ILE 24 1HD1 ILE 24 4.381 -1.221 2.286 179 2HD1 ILE 24 2HD1 ILE 24 3.992 -0.158 0.908 180 3HD1 ILE 24 3HD1 ILE 24 4.861 0.482 2.265 181 H LYS 25 H LYS 25 3.760 -4.706 0.317 182 HA LYS 25 HA LYS 25 5.224 -6.476 -1.509 183 1HB LYS 25 1HB LYS 25 3.918 -7.375 0.467 184 2HB LYS 25 2HB LYS 25 2.472 -6.788 -0.306 185 1HG LYS 25 1HG LYS 25 4.295 -8.909 -1.489 186 2HG LYS 25 2HG LYS 25 2.831 -9.246 -0.582 187 1HD LYS 25 1HD LYS 25 1.502 -8.111 -2.310 188 2HD LYS 25 2HD LYS 25 2.979 -7.740 -3.205 189 1HE LYS 25 1HE LYS 25 3.421 -10.150 -3.416 190 2HE LYS 25 2HE LYS 25 1.922 -10.494 -2.576 191 1HZ LYS 25 1HZ LYS 25 2.131 -9.058 -5.166 192 2HZ LYS 25 2HZ LYS 25 0.681 -9.479 -4.405 193 3HZ LYS 25 3HZ LYS 25 1.711 -10.667 -4.985 194 H THR 26 H THR 26 2.177 -4.684 -1.098 195 HA THR 26 HA THR 26 2.203 -3.860 -3.842 196 HB THR 26 HB THR 26 1.125 -6.122 -3.947 197 HG1 THR 26 HG1 THR 26 0.163 -5.125 -5.481 198 1HG2 THR 26 1HG2 THR 26 0.169 -6.215 -1.720 199 2HG2 THR 26 2HG2 THR 26 -1.100 -6.440 -2.925 200 3HG2 THR 26 3HG2 THR 26 -0.926 -4.891 -2.103 201 H TYR 27 H TYR 27 0.289 -2.371 -4.177 202 HA TYR 27 HA TYR 27 -0.775 -1.346 -1.673 203 1HB TYR 27 1HB TYR 27 -0.389 0.989 -2.323 204 2HB TYR 27 2HB TYR 27 1.147 0.224 -2.353 205 HD1 TYR 27 HD1 TYR 27 -1.572 1.531 -4.345 206 HD2 TYR 27 HD2 TYR 27 2.362 -0.037 -4.421 207 HE1 TYR 27 HE1 TYR 27 -1.368 2.325 -6.543 208 HE2 TYR 27 HE2 TYR 27 2.629 0.786 -6.738 209 HH TYR 27 HH TYR 27 1.137 1.291 -8.628 210 H THR 28 H THR 28 -2.686 -0.191 -2.003 211 HA THR 28 HA THR 28 -4.031 -0.412 -4.568 212 HB THR 28 HB THR 28 -5.242 -1.219 -1.925 213 HG1 THR 28 HG1 THR 28 -5.356 -3.339 -3.070 214 1HG2 THR 28 1HG2 THR 28 -6.862 -0.243 -3.472 215 2HG2 THR 28 2HG2 THR 28 -7.166 -1.967 -3.285 216 3HG2 THR 28 3HG2 THR 28 -6.354 -1.367 -4.733 217 H ILE 29 H ILE 29 -4.728 1.599 -4.955 218 HA ILE 29 HA ILE 29 -5.032 3.407 -2.678 219 HB ILE 29 HB ILE 29 -5.071 4.091 -5.643 220 1HG1 ILE 29 1HG1 ILE 29 -2.858 4.464 -3.581 221 2HG1 ILE 29 2HG1 ILE 29 -2.847 3.314 -4.901 222 1HG2 ILE 29 1HG2 ILE 29 -4.840 6.422 -4.866 223 2HG2 ILE 29 2HG2 ILE 29 -5.003 5.877 -3.198 224 3HG2 ILE 29 3HG2 ILE 29 -6.352 5.698 -4.319 225 1HD1 ILE 29 1HD1 ILE 29 -1.487 5.252 -5.397 226 2HD1 ILE 29 2HD1 ILE 29 -2.895 6.295 -5.154 227 3HD1 ILE 29 3HD1 ILE 29 -2.870 5.153 -6.497 228 H THR 30 H THR 30 -6.934 3.936 -1.925 229 HA THR 30 HA THR 30 -9.254 2.916 -3.377 230 HB THR 30 HB THR 30 -10.439 3.185 -1.199 231 HG1 THR 30 HG1 THR 30 -9.116 4.502 0.003 232 1HG2 THR 30 1HG2 THR 30 -9.476 1.109 -0.241 233 2HG2 THR 30 2HG2 THR 30 -8.079 1.288 -1.300 234 3HG2 THR 30 3HG2 THR 30 -9.674 0.993 -1.990 235 H GLU 31 H GLU 31 -11.041 4.056 -3.743 236 HA GLU 31 HA GLU 31 -11.145 6.847 -2.888 237 1HB GLU 31 1HB GLU 31 -12.101 5.725 -5.541 238 2HB GLU 31 2HB GLU 31 -12.303 7.380 -4.998 239 1HG GLU 31 1HG GLU 31 -9.850 7.642 -4.997 240 2HG GLU 31 2HG GLU 31 -9.702 6.009 -5.645 241 H GLY 32 H GLY 32 -13.450 7.569 -2.911 242 1HA GLY 32 1HA GLY 32 -15.803 6.869 -3.009 243 2HA GLY 32 2HA GLY 32 -15.294 5.330 -2.330 244 H SER 33 H SER 33 -13.636 7.864 -0.923 245 HA SER 33 HA SER 33 -15.440 8.886 0.935 246 1HB SER 33 1HB SER 33 -15.521 6.522 1.779 247 2HB SER 33 2HB SER 33 -13.777 6.574 2.026 248 HG SER 33 HG SER 33 -15.756 8.157 3.279 249 H LEU 34 H LEU 34 -12.135 7.566 0.758 250 HA LEU 34 HA LEU 34 -11.018 10.192 0.984 251 1HB LEU 34 1HB LEU 34 -11.512 9.397 3.341 252 2HB LEU 34 2HB LEU 34 -10.489 8.017 3.054 253 HG LEU 34 HG LEU 34 -9.577 10.865 3.122 254 1HD1 LEU 34 1HD1 LEU 34 -8.691 10.299 5.370 255 2HD1 LEU 34 2HD1 LEU 34 -9.444 8.712 5.248 256 3HD1 LEU 34 3HD1 LEU 34 -10.447 10.158 5.298 257 1HD2 LEU 34 1HD2 LEU 34 -7.999 8.299 3.278 258 2HD2 LEU 34 2HD2 LEU 34 -7.335 9.941 3.362 259 3HD2 LEU 34 3HD2 LEU 34 -8.084 9.362 1.872 260 H ARG 35 H ARG 35 -9.211 10.148 -0.357 261 HA ARG 35 HA ARG 35 -8.427 7.679 -1.570 262 1HB ARG 35 1HB ARG 35 -7.318 10.473 -1.807 263 2HB ARG 35 2HB ARG 35 -6.440 9.111 -2.473 264 1HG ARG 35 1HG ARG 35 -7.680 10.178 -4.209 265 2HG ARG 35 2HG ARG 35 -8.388 8.604 -3.891 266 1HD ARG 35 1HD ARG 35 -10.141 9.726 -2.555 267 2HD ARG 35 2HD ARG 35 -9.432 11.285 -2.995 268 HE ARG 35 HE ARG 35 -9.980 9.655 -5.256 269 1HH1 ARG 35 1HH1 ARG 35 -11.462 11.982 -3.064 270 2HH1 ARG 35 2HH1 ARG 35 -12.744 12.360 -4.135 271 1HH2 ARG 35 1HH2 ARG 35 -11.694 10.121 -6.653 272 2HH2 ARG 35 2HH2 ARG 35 -12.895 11.283 -6.223 273 H ALA 36 H ALA 36 -7.380 6.237 -0.569 274 HA ALA 36 HA ALA 36 -5.167 7.024 1.187 275 1HB ALA 36 1HB ALA 36 -5.767 5.162 2.651 276 2HB ALA 36 2HB ALA 36 -7.169 4.813 1.639 277 3HB ALA 36 3HB ALA 36 -7.086 6.329 2.540 278 H VAL 37 H VAL 37 -3.361 5.698 1.037 279 HA VAL 37 HA VAL 37 -3.449 3.776 -1.148 280 HB VAL 37 HB VAL 37 -1.040 4.747 0.389 281 1HG1 VAL 37 1HG1 VAL 37 -0.720 2.701 -0.817 282 2HG1 VAL 37 2HG1 VAL 37 0.198 4.001 -1.577 283 3HG1 VAL 37 3HG1 VAL 37 -1.307 3.441 -2.305 284 1HG2 VAL 37 1HG2 VAL 37 -2.093 5.912 -2.201 285 2HG2 VAL 37 2HG2 VAL 37 -0.576 6.348 -1.383 286 3HG2 VAL 37 3HG2 VAL 37 -2.116 6.686 -0.615 287 H ILE 38 H ILE 38 -3.887 1.790 -0.435 288 HA ILE 38 HA ILE 38 -3.136 1.122 2.284 289 HB ILE 38 HB ILE 38 -4.914 -0.377 0.332 290 1HG1 ILE 38 1HG1 ILE 38 -5.613 1.290 2.763 291 2HG1 ILE 38 2HG1 ILE 38 -5.881 1.759 1.088 292 1HG2 ILE 38 1HG2 ILE 38 -4.373 -0.879 3.272 293 2HG2 ILE 38 2HG2 ILE 38 -3.825 -1.881 1.929 294 3HG2 ILE 38 3HG2 ILE 38 -5.545 -1.750 2.280 295 1HD1 ILE 38 1HD1 ILE 38 -7.455 -0.088 0.832 296 2HD1 ILE 38 2HD1 ILE 38 -7.926 0.994 2.146 297 3HD1 ILE 38 3HD1 ILE 38 -7.160 -0.559 2.505 298 H PHE 39 H PHE 39 -1.281 0.276 2.501 299 HA PHE 39 HA PHE 39 -0.035 -1.217 0.338 300 1HB PHE 39 1HB PHE 39 1.042 -0.073 2.887 301 2HB PHE 39 2HB PHE 39 1.959 -1.160 1.856 302 HD1 PHE 39 HD1 PHE 39 1.072 2.199 2.499 303 HD2 PHE 39 HD2 PHE 39 2.223 -0.510 -0.547 304 HE1 PHE 39 HE1 PHE 39 1.803 4.062 1.120 305 HE2 PHE 39 HE2 PHE 39 2.964 1.340 -1.943 306 HZ PHE 39 HZ PHE 39 2.765 3.575 -1.181 307 H ILE 40 H ILE 40 -0.003 -3.288 0.399 308 HA ILE 40 HA ILE 40 -0.704 -4.537 2.930 309 HB ILE 40 HB ILE 40 -0.304 -5.987 0.307 310 1HG1 ILE 40 1HG1 ILE 40 -1.986 -4.272 -0.104 311 2HG1 ILE 40 2HG1 ILE 40 -2.731 -5.851 -0.047 312 1HG2 ILE 40 1HG2 ILE 40 -1.857 -6.524 2.825 313 2HG2 ILE 40 2HG2 ILE 40 -0.348 -7.315 2.367 314 3HG2 ILE 40 3HG2 ILE 40 -1.831 -7.616 1.435 315 1HD1 ILE 40 1HD1 ILE 40 -2.763 -3.828 2.211 316 2HD1 ILE 40 2HD1 ILE 40 -3.499 -5.423 2.245 317 3HD1 ILE 40 3HD1 ILE 40 -4.113 -4.196 1.131 318 H THR 41 H THR 41 0.841 -5.411 4.075 319 HA THR 41 HA THR 41 3.494 -5.318 2.953 320 HB THR 41 HB THR 41 3.087 -4.388 5.239 321 HG1 THR 41 HG1 THR 41 5.117 -5.415 4.506 322 1HG2 THR 41 1HG2 THR 41 1.396 -5.995 5.998 323 2HG2 THR 41 2HG2 THR 41 2.756 -5.922 7.122 324 3HG2 THR 41 3HG2 THR 41 2.612 -7.275 5.995 325 H LYS 42 H LYS 42 4.931 -7.257 3.427 326 HA LYS 42 HA LYS 42 3.890 -9.428 1.990 327 1HB LYS 42 1HB LYS 42 6.402 -9.230 3.614 328 2HB LYS 42 2HB LYS 42 6.056 -10.520 2.467 329 1HG LYS 42 1HG LYS 42 5.941 -8.875 0.655 330 2HG LYS 42 2HG LYS 42 6.286 -7.590 1.804 331 1HD LYS 42 1HD LYS 42 8.112 -9.900 1.137 332 2HD LYS 42 2HD LYS 42 8.266 -8.250 0.538 333 1HE LYS 42 1HE LYS 42 8.536 -7.460 2.856 334 2HE LYS 42 2HE LYS 42 8.449 -9.125 3.419 335 1HZ LYS 42 1HZ LYS 42 10.513 -8.006 1.616 336 2HZ LYS 42 2HZ LYS 42 10.445 -9.621 2.145 337 3HZ LYS 42 3HZ LYS 42 10.701 -8.378 3.243 338 H ARG 43 H ARG 43 3.669 -8.803 5.304 339 HA ARG 43 HA ARG 43 3.465 -11.523 6.194 340 1HB ARG 43 1HB ARG 43 4.108 -9.472 7.571 341 2HB ARG 43 2HB ARG 43 2.432 -8.989 7.527 342 1HG ARG 43 1HG ARG 43 3.182 -11.636 8.736 343 2HG ARG 43 2HG ARG 43 3.531 -10.171 9.625 344 1HD ARG 43 1HD ARG 43 1.482 -10.980 10.461 345 2HD ARG 43 2HD ARG 43 1.059 -9.631 9.437 346 HE ARG 43 HE ARG 43 0.796 -11.794 7.818 347 1HH1 ARG 43 1HH1 ARG 43 -0.513 -11.073 11.041 348 2HH1 ARG 43 2HH1 ARG 43 -1.984 -11.865 10.773 349 1HH2 ARG 43 1HH2 ARG 43 -1.203 -12.924 7.463 350 2HH2 ARG 43 2HH2 ARG 43 -2.376 -12.965 8.695 351 H GLY 44 H GLY 44 1.438 -9.315 4.533 352 1HA GLY 44 1HA GLY 44 -0.538 -10.012 3.456 353 2HA GLY 44 2HA GLY 44 -0.781 -11.215 4.710 354 H LEU 45 H LEU 45 0.096 -8.325 6.102 355 HA LEU 45 HA LEU 45 -2.725 -7.664 6.667 356 1HB LEU 45 1HB LEU 45 -0.227 -6.923 8.156 357 2HB LEU 45 2HB LEU 45 -1.836 -6.349 8.549 358 HG LEU 45 HG LEU 45 -0.875 -9.204 8.690 359 1HD1 LEU 45 1HD1 LEU 45 -1.238 -8.947 11.081 360 2HD1 LEU 45 2HD1 LEU 45 -1.722 -7.272 10.810 361 3HD1 LEU 45 3HD1 LEU 45 -0.058 -7.767 10.491 362 1HD2 LEU 45 1HD2 LEU 45 -3.589 -8.044 9.317 363 2HD2 LEU 45 2HD2 LEU 45 -3.066 -9.689 9.673 364 3HD2 LEU 45 3HD2 LEU 45 -3.202 -9.159 8.000 365 H LYS 46 H LYS 46 -3.371 -5.608 6.849 366 HA LYS 46 HA LYS 46 -2.551 -4.115 4.498 367 1HB LYS 46 1HB LYS 46 -4.901 -3.959 6.342 368 2HB LYS 46 2HB LYS 46 -4.684 -2.975 4.905 369 1HG LYS 46 1HG LYS 46 -4.974 -4.769 3.504 370 2HG LYS 46 2HG LYS 46 -4.675 -5.945 4.800 371 1HD LYS 46 1HD LYS 46 -6.610 -5.382 5.869 372 2HD LYS 46 2HD LYS 46 -6.975 -4.008 4.792 373 1HE LYS 46 1HE LYS 46 -7.229 -5.599 2.970 374 2HE LYS 46 2HE LYS 46 -6.874 -6.935 4.073 375 1HZ LYS 46 1HZ LYS 46 -9.246 -5.111 4.210 376 2HZ LYS 46 2HZ LYS 46 -8.855 -6.252 5.359 377 3HZ LYS 46 3HZ LYS 46 -9.240 -6.750 3.807 378 H VAL 47 H VAL 47 -1.438 -2.370 4.691 379 HA VAL 47 HA VAL 47 -1.540 -0.861 7.186 380 HB VAL 47 HB VAL 47 0.578 -0.710 5.000 381 1HG1 VAL 47 1HG1 VAL 47 1.876 0.643 6.588 382 2HG1 VAL 47 2HG1 VAL 47 0.529 0.587 7.720 383 3HG1 VAL 47 3HG1 VAL 47 0.343 1.408 6.170 384 1HG2 VAL 47 1HG2 VAL 47 2.092 -1.803 6.596 385 2HG2 VAL 47 2HG2 VAL 47 0.716 -2.833 6.195 386 3HG2 VAL 47 3HG2 VAL 47 0.759 -1.974 7.737 387 H CYS 48 H CYS 48 -2.082 1.416 6.960 388 HA CYS 48 HA CYS 48 -3.076 2.077 4.260 389 1HB CYS 48 1HB CYS 48 -4.274 2.892 6.905 390 2HB CYS 48 2HB CYS 48 -4.950 3.164 5.302 391 H ALA 49 H ALA 49 -2.277 3.929 3.458 392 HA ALA 49 HA ALA 49 -0.902 5.728 5.301 393 1HB ALA 49 1HB ALA 49 0.984 5.769 3.816 394 2HB ALA 49 2HB ALA 49 0.178 4.619 2.740 395 3HB ALA 49 3HB ALA 49 0.656 4.124 4.362 396 H ASP 50 H ASP 50 -0.594 7.823 4.550 397 HA ASP 50 HA ASP 50 -2.750 8.846 2.944 398 1HB ASP 50 1HB ASP 50 -1.960 9.956 5.027 399 2HB ASP 50 2HB ASP 50 -0.421 10.265 4.244 400 HA PRO 51 HA PRO 51 -0.419 8.667 -0.870 401 1HB PRO 51 1HB PRO 51 -2.052 10.187 -2.405 402 2HB PRO 51 2HB PRO 51 -2.489 8.558 -1.867 403 1HG PRO 51 1HG PRO 51 -3.270 11.195 -0.677 404 2HG PRO 51 2HG PRO 51 -4.303 9.809 -1.076 405 1HD PRO 51 1HD PRO 51 -3.459 10.236 1.426 406 2HD PRO 51 2HD PRO 51 -3.600 8.592 0.768 407 H GLN 52 H GLN 52 -0.826 11.582 0.939 408 HA GLN 52 HA GLN 52 0.617 13.195 -1.015 409 1HB GLN 52 1HB GLN 52 -0.407 13.936 1.736 410 2HB GLN 52 2HB GLN 52 0.214 15.044 0.520 411 1HG GLN 52 1HG GLN 52 -2.261 13.358 0.191 412 2HG GLN 52 2HG GLN 52 -2.259 15.040 0.710 413 1HE2 GLN 52 1HE2 GLN 52 -3.455 13.750 -1.607 414 2HE2 GLN 52 2HE2 GLN 52 -2.844 14.555 -2.996 415 H ALA 53 H ALA 53 1.189 11.171 1.635 416 HA ALA 53 HA ALA 53 3.502 12.404 2.796 417 1HB ALA 53 1HB ALA 53 2.649 9.522 2.814 418 2HB ALA 53 2HB ALA 53 2.113 10.739 3.967 419 3HB ALA 53 3HB ALA 53 3.817 10.276 3.898 420 H THR 54 H THR 54 5.545 12.314 2.358 421 HA THR 54 HA THR 54 6.331 11.717 -0.251 422 HB THR 54 HB THR 54 8.042 12.204 2.197 423 HG1 THR 54 HG1 THR 54 7.545 14.196 1.965 424 1HG2 THR 54 1HG2 THR 54 8.635 12.538 -0.748 425 2HG2 THR 54 2HG2 THR 54 9.304 11.284 0.296 426 3HG2 THR 54 3HG2 THR 54 9.710 12.980 0.579 427 H TRP 55 H TRP 55 6.522 9.896 2.743 428 HA TRP 55 HA TRP 55 8.356 7.959 1.673 429 1HB TRP 55 1HB TRP 55 7.971 6.609 3.664 430 2HB TRP 55 2HB TRP 55 8.083 8.299 4.119 431 HD1 TRP 55 HD1 TRP 55 5.841 9.426 4.948 432 HE1 TRP 55 HE1 TRP 55 3.711 8.445 6.026 433 HE3 TRP 55 HE3 TRP 55 6.442 4.601 3.579 434 HZ2 TRP 55 HZ2 TRP 55 2.487 5.989 6.239 435 HZ3 TRP 55 HZ3 TRP 55 4.737 2.999 4.194 436 HH2 TRP 55 HH2 TRP 55 2.807 3.626 5.515 437 H VAL 56 H VAL 56 4.961 8.345 1.701 438 HA VAL 56 HA VAL 56 4.288 5.743 0.787 439 HB VAL 56 HB VAL 56 2.781 8.366 0.735 440 1HG1 VAL 56 1HG1 VAL 56 1.946 6.968 -1.065 441 2HG1 VAL 56 2HG1 VAL 56 0.769 6.997 0.256 442 3HG1 VAL 56 3HG1 VAL 56 1.807 5.593 0.020 443 1HG2 VAL 56 1HG2 VAL 56 2.529 5.926 2.443 444 2HG2 VAL 56 2HG2 VAL 56 1.512 7.372 2.533 445 3HG2 VAL 56 3HG2 VAL 56 3.230 7.469 2.925 446 H ARG 57 H ARG 57 4.703 8.877 -0.712 447 HA ARG 57 HA ARG 57 4.313 7.992 -3.313 448 1HB ARG 57 1HB ARG 57 5.867 10.324 -2.256 449 2HB ARG 57 2HB ARG 57 5.644 10.027 -3.981 450 1HG ARG 57 1HG ARG 57 3.270 10.000 -3.664 451 2HG ARG 57 2HG ARG 57 3.469 10.358 -1.959 452 1HD ARG 57 1HD ARG 57 4.450 12.491 -2.459 453 2HD ARG 57 2HD ARG 57 4.441 12.134 -4.190 454 HE ARG 57 HE ARG 57 1.920 11.811 -3.632 455 1HH1 ARG 57 1HH1 ARG 57 4.008 14.421 -2.483 456 2HH1 ARG 57 2HH1 ARG 57 2.798 15.616 -2.551 457 1HH2 ARG 57 1HH2 ARG 57 0.283 13.419 -3.750 458 2HH2 ARG 57 2HH2 ARG 57 0.601 15.019 -3.291 459 H ASP 58 H ASP 58 7.070 7.920 -1.314 460 HA ASP 58 HA ASP 58 8.924 7.131 -3.283 461 1HB ASP 58 1HB ASP 58 9.696 7.834 -1.087 462 2HB ASP 58 2HB ASP 58 8.894 6.461 -0.339 463 H CYS 59 H CYS 59 6.786 5.164 -1.223 464 HA CYS 59 HA CYS 59 7.774 2.753 -2.445 465 1HB CYS 59 1HB CYS 59 5.553 3.178 -0.507 466 2HB CYS 59 2HB CYS 59 6.112 1.639 -1.110 467 H VAL 60 H VAL 60 4.700 4.539 -2.536 468 HA VAL 60 HA VAL 60 3.315 2.604 -4.042 469 HB VAL 60 HB VAL 60 2.308 4.626 -2.719 470 1HG1 VAL 60 1HG1 VAL 60 3.632 6.328 -3.751 471 2HG1 VAL 60 2HG1 VAL 60 1.873 6.617 -3.976 472 3HG1 VAL 60 3HG1 VAL 60 2.853 5.944 -5.296 473 1HG2 VAL 60 1HG2 VAL 60 0.913 3.162 -4.039 474 2HG2 VAL 60 2HG2 VAL 60 1.255 4.118 -5.483 475 3HG2 VAL 60 3HG2 VAL 60 0.368 4.832 -4.132 476 H ARG 61 H ARG 61 5.586 5.001 -4.797 477 HA ARG 61 HA ARG 61 5.003 4.726 -7.657 478 1HB ARG 61 1HB ARG 61 6.913 6.701 -6.392 479 2HB ARG 61 2HB ARG 61 6.546 6.599 -8.109 480 1HG ARG 61 1HG ARG 61 4.579 7.283 -5.920 481 2HG ARG 61 2HG ARG 61 5.333 8.431 -7.020 482 1HD ARG 61 1HD ARG 61 3.516 6.159 -7.868 483 2HD ARG 61 2HD ARG 61 3.005 7.827 -7.651 484 HE ARG 61 HE ARG 61 5.189 7.668 -9.436 485 1HH1 ARG 61 1HH1 ARG 61 1.673 7.071 -9.326 486 2HH1 ARG 61 2HH1 ARG 61 1.474 7.410 -10.985 487 1HH2 ARG 61 1HH2 ARG 61 4.815 8.116 -11.704 488 2HH2 ARG 61 2HH2 ARG 61 3.231 7.962 -12.334 489 H SER 62 H SER 62 7.529 3.896 -5.334 490 HA SER 62 HA SER 62 9.340 2.936 -7.249 491 1HB SER 62 1HB SER 62 8.889 2.146 -4.352 492 2HB SER 62 2HB SER 62 10.165 1.396 -5.327 493 HG SER 62 HG SER 62 9.785 4.121 -4.686 494 H MET 63 H MET 63 6.601 1.381 -5.653 495 HA MET 63 HA MET 63 6.961 -1.096 -6.952 496 1HB MET 63 1HB MET 63 4.542 0.135 -5.642 497 2HB MET 63 2HB MET 63 4.470 -1.448 -6.401 498 1HG MET 63 1HG MET 63 6.353 -0.681 -4.187 499 2HG MET 63 2HG MET 63 4.829 -1.554 -3.974 500 1HE MET 63 1HE MET 63 7.775 -2.564 -3.032 501 2HE MET 63 2HE MET 63 7.656 -4.274 -3.440 502 3HE MET 63 3HE MET 63 6.291 -3.451 -2.686 503 H ASP 64 H ASP 64 5.293 1.800 -7.825 504 HA ASP 64 HA ASP 64 3.960 0.896 -10.147 505 1HB ASP 64 1HB ASP 64 3.469 3.044 -9.033 506 2HB ASP 64 2HB ASP 64 5.076 3.617 -9.438 507 H ARG 65 H ARG 65 7.134 2.273 -9.571 508 HA ARG 65 HA ARG 65 8.006 2.372 -12.265 509 1HB ARG 65 1HB ARG 65 8.955 3.819 -10.566 510 2HB ARG 65 2HB ARG 65 9.549 2.432 -9.669 511 1HG ARG 65 1HG ARG 65 11.080 1.906 -11.508 512 2HG ARG 65 2HG ARG 65 10.469 3.295 -12.406 513 1HD ARG 65 1HD ARG 65 12.571 3.845 -11.291 514 2HD ARG 65 2HD ARG 65 11.235 4.783 -10.628 515 HE ARG 65 HE ARG 65 11.663 2.414 -9.122 516 1HH1 ARG 65 1HH1 ARG 65 13.003 5.680 -9.605 517 2HH1 ARG 65 2HH1 ARG 65 13.710 5.738 -8.058 518 1HH2 ARG 65 1HH2 ARG 65 12.654 2.559 -7.006 519 2HH2 ARG 65 2HH2 ARG 65 13.525 3.961 -6.576 520 H LYS 66 H LYS 66 8.597 0.026 -9.636 521 HA LYS 66 HA LYS 66 10.416 -1.527 -11.192 522 1HB LYS 66 1HB LYS 66 10.454 -3.066 -9.319 523 2HB LYS 66 2HB LYS 66 10.444 -1.410 -8.719 524 1HG LYS 66 1HG LYS 66 8.027 -1.633 -8.379 525 2HG LYS 66 2HG LYS 66 8.186 -3.353 -8.739 526 1HD LYS 66 1HD LYS 66 9.727 -1.898 -6.614 527 2HD LYS 66 2HD LYS 66 8.284 -2.862 -6.291 528 1HE LYS 66 1HE LYS 66 10.892 -3.881 -7.454 529 2HE LYS 66 2HE LYS 66 10.390 -4.054 -5.777 530 1HZ LYS 66 1HZ LYS 66 9.012 -5.259 -8.132 531 2HZ LYS 66 2HZ LYS 66 8.513 -5.378 -6.516 532 3HZ LYS 66 3HZ LYS 66 9.968 -6.048 -6.980 533 H SER 67 H SER 67 7.093 -1.285 -11.192 534 HA SER 67 HA SER 67 6.513 -3.965 -12.030 535 1HB SER 67 1HB SER 67 4.856 -2.586 -10.787 536 2HB SER 67 2HB SER 67 4.824 -1.441 -12.123 537 HG SER 67 HG SER 67 3.976 -3.017 -13.425 538 H ASN 68 H ASN 68 7.752 -1.117 -13.443 539 HA ASN 68 HA ASN 68 7.034 -2.041 -16.131 540 1HB ASN 68 1HB ASN 68 6.170 0.207 -15.618 541 2HB ASN 68 2HB ASN 68 7.794 0.736 -15.193 542 1HD2 ASN 68 1HD2 ASN 68 7.784 2.335 -16.753 543 2HD2 ASN 68 2HD2 ASN 68 7.887 2.009 -18.438 544 H THR 69 H THR 69 8.698 -3.283 -16.777 545 HA THR 69 HA THR 69 11.249 -2.095 -17.045 546 HB THR 69 HB THR 69 11.344 -2.804 -14.713 547 HG1 THR 69 HG1 THR 69 13.269 -2.973 -15.345 548 1HG2 THR 69 1HG2 THR 69 9.770 -4.581 -14.809 549 2HG2 THR 69 2HG2 THR 69 11.304 -5.209 -14.151 550 3HG2 THR 69 3HG2 THR 69 10.842 -5.513 -15.846 551 H ARG 70 H ARG 70 12.770 -4.171 -17.815 552 HA ARG 70 HA ARG 70 11.202 -5.220 -20.022 553 1HB ARG 70 1HB ARG 70 14.192 -5.281 -19.585 554 2HB ARG 70 2HB ARG 70 13.379 -5.940 -21.001 555 1HG ARG 70 1HG ARG 70 12.484 -3.713 -21.505 556 2HG ARG 70 2HG ARG 70 13.356 -3.065 -20.119 557 1HD ARG 70 1HD ARG 70 15.476 -3.753 -21.155 558 2HD ARG 70 2HD ARG 70 14.580 -4.380 -22.540 559 HE ARG 70 HE ARG 70 13.835 -1.736 -22.124 560 1HH1 ARG 70 1HH1 ARG 70 16.653 -3.549 -23.272 561 2HH1 ARG 70 2HH1 ARG 70 17.260 -2.254 -24.192 562 1HH2 ARG 70 1HH2 ARG 70 14.661 -0.000 -23.379 563 2HH2 ARG 70 2HH2 ARG 70 16.118 -0.188 -24.252 564 H ASN 71 H ASN 71 12.865 -6.369 -17.207 565 HA ASN 71 HA ASN 71 11.439 -8.843 -17.663 566 1HB ASN 71 1HB ASN 71 13.284 -10.211 -16.640 567 2HB ASN 71 2HB ASN 71 13.710 -9.500 -18.183 568 1HD2 ASN 71 1HD2 ASN 71 15.326 -7.945 -18.248 569 2HD2 ASN 71 2HD2 ASN 71 16.389 -7.651 -16.922 570 H ASN 72 H ASN 72 9.820 -8.492 -16.392 571 HA ASN 72 HA ASN 72 10.209 -7.526 -13.701 572 1HB ASN 72 1HB ASN 72 8.183 -6.833 -14.938 573 2HB ASN 72 2HB ASN 72 7.697 -8.518 -15.077 574 1HD2 ASN 72 1HD2 ASN 72 5.792 -8.222 -13.999 575 2HD2 ASN 72 2HD2 ASN 72 5.680 -7.925 -12.302 576 H MET 73 H MET 73 11.311 -8.979 -12.621 577 HA MET 73 HA MET 73 10.329 -11.720 -12.607 578 1HB MET 73 1HB MET 73 12.908 -10.577 -11.544 579 2HB MET 73 2HB MET 73 12.442 -12.271 -11.491 580 1HG MET 73 1HG MET 73 12.404 -12.337 -13.929 581 2HG MET 73 2HG MET 73 12.876 -10.642 -13.986 582 1HE MET 73 1HE MET 73 14.160 -13.439 -11.488 583 2HE MET 73 2HE MET 73 15.537 -14.057 -12.406 584 3HE MET 73 3HE MET 73 13.902 -14.270 -13.022 585 H ILE 74 H ILE 74 9.041 -12.254 -11.078 586 HA ILE 74 HA ILE 74 8.987 -10.695 -8.616 587 HB ILE 74 HB ILE 74 7.023 -12.743 -9.700 588 1HG1 ILE 74 1HG1 ILE 74 6.813 -9.725 -9.509 589 2HG1 ILE 74 2HG1 ILE 74 7.083 -10.631 -10.989 590 1HG2 ILE 74 1HG2 ILE 74 5.538 -11.990 -7.884 591 2HG2 ILE 74 2HG2 ILE 74 6.826 -10.952 -7.273 592 3HG2 ILE 74 3HG2 ILE 74 7.027 -12.703 -7.256 593 1HD1 ILE 74 1HD1 ILE 74 4.630 -10.750 -9.249 594 2HD1 ILE 74 2HD1 ILE 74 4.881 -11.682 -10.725 595 3HD1 ILE 74 3HD1 ILE 74 4.771 -9.923 -10.800 596 H GLN 75 H GLN 75 10.401 -11.468 -7.197 597 HA GLN 75 HA GLN 75 10.410 -14.346 -6.672 598 1HB GLN 75 1HB GLN 75 12.420 -13.351 -8.055 599 2HB GLN 75 2HB GLN 75 12.885 -12.609 -6.543 600 1HG GLN 75 1HG GLN 75 12.605 -15.590 -6.944 601 2HG GLN 75 2HG GLN 75 14.099 -14.725 -7.186 602 1HE2 GLN 75 1HE2 GLN 75 15.155 -15.934 -5.680 603 2HE2 GLN 75 2HE2 GLN 75 14.885 -15.813 -3.983 Start of MODEL 16 1 1H GLY 2 1H GLY 2 -21.273 -14.244 8.841 2 1HA GLY 2 1HA GLY 2 -19.782 -16.588 9.725 3 2HA GLY 2 2HA GLY 2 -20.849 -16.501 8.327 4 H SER 3 H SER 3 -20.035 -14.583 6.830 5 HA SER 3 HA SER 3 -17.291 -15.291 6.165 6 1HB SER 3 1HB SER 3 -19.398 -13.818 4.571 7 2HB SER 3 2HB SER 3 -17.829 -14.368 3.968 8 HG SER 3 HG SER 3 -19.726 -16.105 5.107 9 H GLU 4 H GLU 4 -15.761 -13.885 6.709 10 HA GLU 4 HA GLU 4 -16.387 -11.441 7.995 11 1HB GLU 4 1HB GLU 4 -13.730 -12.405 6.953 12 2HB GLU 4 2HB GLU 4 -13.968 -11.052 8.049 13 1HG GLU 4 1HG GLU 4 -14.910 -12.586 9.708 14 2HG GLU 4 2HG GLU 4 -14.600 -13.936 8.614 15 H VAL 5 H VAL 5 -16.656 -9.491 7.207 16 HA VAL 5 HA VAL 5 -16.392 -9.197 4.359 17 HB VAL 5 HB VAL 5 -18.526 -8.494 5.298 18 1HG1 VAL 5 1HG1 VAL 5 -17.867 -7.891 7.539 19 2HG1 VAL 5 2HG1 VAL 5 -18.752 -6.566 6.786 20 3HG1 VAL 5 3HG1 VAL 5 -16.998 -6.482 6.931 21 1HG2 VAL 5 1HG2 VAL 5 -18.687 -6.219 4.367 22 2HG2 VAL 5 2HG2 VAL 5 -17.767 -7.300 3.323 23 3HG2 VAL 5 3HG2 VAL 5 -16.927 -6.121 4.332 24 H SER 6 H SER 6 -14.692 -8.439 3.473 25 HA SER 6 HA SER 6 -13.393 -6.128 4.491 26 1HB SER 6 1HB SER 6 -11.116 -7.238 4.412 27 2HB SER 6 2HB SER 6 -12.139 -7.738 5.759 28 HG SER 6 HG SER 6 -12.062 -9.172 3.322 29 H ASP 7 H ASP 7 -14.045 -5.169 2.667 30 HA ASP 7 HA ASP 7 -12.979 -6.236 0.146 31 1HB ASP 7 1HB ASP 7 -15.512 -5.969 0.357 32 2HB ASP 7 2HB ASP 7 -15.244 -4.238 0.517 33 H LYS 8 H LYS 8 -12.629 -4.110 -1.394 34 HA LYS 8 HA LYS 8 -10.552 -2.705 -0.129 35 1HB LYS 8 1HB LYS 8 -11.916 -2.209 -2.751 36 2HB LYS 8 2HB LYS 8 -10.602 -1.187 -2.174 37 1HG LYS 8 1HG LYS 8 -9.137 -3.135 -2.053 38 2HG LYS 8 2HG LYS 8 -10.439 -4.157 -2.656 39 1HD LYS 8 1HD LYS 8 -9.362 -1.774 -4.081 40 2HD LYS 8 2HD LYS 8 -8.752 -3.416 -4.377 41 1HE LYS 8 1HE LYS 8 -11.586 -2.414 -4.816 42 2HE LYS 8 2HE LYS 8 -10.409 -2.765 -6.070 43 1HZ LYS 8 1HZ LYS 8 -11.553 -4.794 -4.199 44 2HZ LYS 8 2HZ LYS 8 -10.405 -5.086 -5.392 45 3HZ LYS 8 3HZ LYS 8 -11.941 -4.593 -5.830 46 H ARG 9 H ARG 9 -10.412 -0.181 -0.316 47 HA ARG 9 HA ARG 9 -10.866 1.665 1.029 48 1HB ARG 9 1HB ARG 9 -13.765 0.851 0.500 49 2HB ARG 9 2HB ARG 9 -13.279 2.384 1.192 50 1HG ARG 9 1HG ARG 9 -12.217 3.017 -0.906 51 2HG ARG 9 2HG ARG 9 -12.608 1.439 -1.597 52 1HD ARG 9 1HD ARG 9 -14.993 1.905 -1.322 53 2HD ARG 9 2HD ARG 9 -14.612 3.479 -0.619 54 HE ARG 9 HE ARG 9 -13.411 3.658 -2.993 55 1HH1 ARG 9 1HH1 ARG 9 -16.717 2.600 -2.192 56 2HH1 ARG 9 2HH1 ARG 9 -17.340 3.104 -3.703 57 1HH2 ARG 9 1HH2 ARG 9 -14.322 4.348 -4.986 58 2HH2 ARG 9 2HH2 ARG 9 -15.987 4.101 -5.307 59 H THR 10 H THR 10 -10.356 -0.865 2.131 60 HA THR 10 HA THR 10 -12.054 -1.989 3.969 61 HB THR 10 HB THR 10 -9.049 -1.858 4.207 62 HG1 THR 10 HG1 THR 10 -10.725 -3.337 2.438 63 1HG2 THR 10 1HG2 THR 10 -10.241 -3.009 6.031 64 2HG2 THR 10 2HG2 THR 10 -9.320 -4.154 5.054 65 3HG2 THR 10 3HG2 THR 10 -11.067 -4.027 4.849 66 H CYS 11 H CYS 11 -9.941 0.799 4.314 67 HA CYS 11 HA CYS 11 -10.569 0.899 7.165 68 1HB CYS 11 1HB CYS 11 -8.278 1.842 7.410 69 2HB CYS 11 2HB CYS 11 -8.334 0.151 6.893 70 H VAL 12 H VAL 12 -10.354 3.058 8.071 71 HA VAL 12 HA VAL 12 -10.755 5.241 6.138 72 HB VAL 12 HB VAL 12 -12.142 6.371 7.820 73 1HG1 VAL 12 1HG1 VAL 12 -14.144 4.900 7.643 74 2HG1 VAL 12 2HG1 VAL 12 -13.098 3.582 7.126 75 3HG1 VAL 12 3HG1 VAL 12 -13.264 5.025 6.123 76 1HG2 VAL 12 1HG2 VAL 12 -11.910 3.808 9.402 77 2HG2 VAL 12 2HG2 VAL 12 -12.998 5.138 9.786 78 3HG2 VAL 12 3HG2 VAL 12 -11.249 5.379 9.850 79 H SER 13 H SER 13 -8.815 3.967 8.554 80 HA SER 13 HA SER 13 -7.818 6.572 9.425 81 1HB SER 13 1HB SER 13 -7.313 3.849 10.525 82 2HB SER 13 2HB SER 13 -6.967 5.415 11.295 83 HG SER 13 HG SER 13 -9.281 3.970 11.100 84 H LEU 14 H LEU 14 -5.955 7.173 8.495 85 HA LEU 14 HA LEU 14 -4.288 5.149 7.207 86 1HB LEU 14 1HB LEU 14 -4.333 8.144 6.782 87 2HB LEU 14 2HB LEU 14 -3.392 6.986 5.872 88 HG LEU 14 HG LEU 14 -5.627 5.989 5.146 89 1HD1 LEU 14 1HD1 LEU 14 -6.711 8.624 6.077 90 2HD1 LEU 14 2HD1 LEU 14 -7.011 7.042 6.788 91 3HD1 LEU 14 3HD1 LEU 14 -7.570 7.374 5.153 92 1HD2 LEU 14 1HD2 LEU 14 -5.925 7.645 3.356 93 2HD2 LEU 14 2HD2 LEU 14 -4.235 7.230 3.623 94 3HD2 LEU 14 3HD2 LEU 14 -4.878 8.759 4.234 95 H THR 15 H THR 15 -2.039 5.162 7.624 96 HA THR 15 HA THR 15 -1.418 6.341 10.172 97 HB THR 15 HB THR 15 -0.711 3.939 9.578 98 HG1 THR 15 HG1 THR 15 1.414 4.270 10.487 99 1HG2 THR 15 1HG2 THR 15 1.394 5.403 7.985 100 2HG2 THR 15 2HG2 THR 15 0.128 4.386 7.280 101 3HG2 THR 15 3HG2 THR 15 1.376 3.672 8.309 102 H THR 16 H THR 16 0.064 7.912 10.531 103 HA THR 16 HA THR 16 1.146 9.301 8.210 104 HB THR 16 HB THR 16 1.571 11.106 9.954 105 HG1 THR 16 HG1 THR 16 -0.337 10.219 11.654 106 1HG2 THR 16 1HG2 THR 16 -0.343 11.235 8.430 107 2HG2 THR 16 2HG2 THR 16 -0.809 11.817 10.032 108 3HG2 THR 16 3HG2 THR 16 -1.279 10.202 9.501 109 H GLN 17 H GLN 17 1.885 6.948 10.267 110 HA GLN 17 HA GLN 17 4.580 7.700 10.963 111 1HB GLN 17 1HB GLN 17 3.093 5.098 11.359 112 2HB GLN 17 2HB GLN 17 4.622 5.545 12.108 113 1HG GLN 17 1HG GLN 17 3.539 7.333 13.330 114 2HG GLN 17 2HG GLN 17 2.015 6.985 12.524 115 1HE2 GLN 17 1HE2 GLN 17 0.942 6.591 14.376 116 2HE2 GLN 17 2HE2 GLN 17 1.190 5.203 15.372 117 H ARG 18 H ARG 18 6.233 5.697 10.435 118 HA ARG 18 HA ARG 18 5.745 5.249 7.598 119 1HB ARG 18 1HB ARG 18 8.419 5.752 8.871 120 2HB ARG 18 2HB ARG 18 8.112 5.423 7.173 121 1HG ARG 18 1HG ARG 18 6.673 7.507 7.200 122 2HG ARG 18 2HG ARG 18 7.419 7.854 8.766 123 1HD ARG 18 1HD ARG 18 8.811 7.386 6.172 124 2HD ARG 18 2HD ARG 18 8.594 8.959 6.935 125 HE ARG 18 HE ARG 18 9.908 7.693 8.843 126 1HH1 ARG 18 1HH1 ARG 18 10.525 7.654 5.368 127 2HH1 ARG 18 2HH1 ARG 18 12.208 7.505 5.501 128 1HH2 ARG 18 1HH2 ARG 18 12.256 7.451 9.037 129 2HH2 ARG 18 2HH2 ARG 18 13.210 7.350 7.621 130 H LEU 19 H LEU 19 6.542 3.455 6.658 131 HA LEU 19 HA LEU 19 7.386 1.277 8.417 132 1HB LEU 19 1HB LEU 19 5.686 1.195 5.907 133 2HB LEU 19 2HB LEU 19 6.461 -0.219 6.563 134 HG LEU 19 HG LEU 19 5.063 0.018 8.600 135 1HD1 LEU 19 1HD1 LEU 19 3.607 2.154 7.053 136 2HD1 LEU 19 2HD1 LEU 19 4.565 2.401 8.513 137 3HD1 LEU 19 3HD1 LEU 19 3.087 1.433 8.576 138 1HD2 LEU 19 1HD2 LEU 19 3.579 -0.201 6.000 139 2HD2 LEU 19 2HD2 LEU 19 3.019 -0.795 7.570 140 3HD2 LEU 19 3HD2 LEU 19 4.455 -1.493 6.821 141 HA PRO 20 HA PRO 20 11.012 1.277 5.801 142 1HB PRO 20 1HB PRO 20 11.455 -1.488 5.885 143 2HB PRO 20 2HB PRO 20 12.119 -0.327 7.035 144 1HG PRO 20 1HG PRO 20 9.762 -2.125 7.306 145 2HG PRO 20 2HG PRO 20 10.901 -1.571 8.544 146 1HD PRO 20 1HD PRO 20 8.400 -0.582 8.308 147 2HD PRO 20 2HD PRO 20 9.761 0.407 8.880 148 H CYS 21 H CYS 21 11.060 1.188 3.598 149 HA CYS 21 HA CYS 21 8.703 0.404 2.253 150 1HB CYS 21 1HB CYS 21 10.386 2.281 1.576 151 2HB CYS 21 2HB CYS 21 11.319 0.959 0.869 152 H SER 22 H SER 22 11.565 -1.218 3.095 153 HA SER 22 HA SER 22 11.765 -3.225 1.201 154 1HB SER 22 1HB SER 22 12.311 -3.371 4.166 155 2HB SER 22 2HB SER 22 12.978 -4.434 2.924 156 HG SER 22 HG SER 22 13.690 -2.337 1.963 157 H ARG 23 H ARG 23 9.379 -2.812 3.790 158 HA ARG 23 HA ARG 23 8.553 -5.572 3.418 159 1HB ARG 23 1HB ARG 23 7.044 -5.306 5.295 160 2HB ARG 23 2HB ARG 23 8.705 -4.910 5.722 161 1HG ARG 23 1HG ARG 23 8.184 -2.590 5.555 162 2HG ARG 23 2HG ARG 23 6.520 -2.998 5.099 163 1HD ARG 23 1HD ARG 23 6.688 -2.441 7.529 164 2HD ARG 23 2HD ARG 23 6.158 -4.098 7.244 165 HE ARG 23 HE ARG 23 8.918 -4.144 7.479 166 1HH1 ARG 23 1HH1 ARG 23 6.180 -3.362 9.596 167 2HH1 ARG 23 2HH1 ARG 23 6.966 -3.888 11.003 168 1HH2 ARG 23 1HH2 ARG 23 9.986 -4.821 9.403 169 2HH2 ARG 23 2HH2 ARG 23 9.189 -4.711 10.907 170 H ILE 24 H ILE 24 7.954 -2.889 1.808 171 HA ILE 24 HA ILE 24 5.115 -3.070 1.512 172 HB ILE 24 HB ILE 24 7.199 -1.842 -0.359 173 1HG1 ILE 24 1HG1 ILE 24 6.924 -0.818 1.960 174 2HG1 ILE 24 2HG1 ILE 24 6.712 0.288 0.600 175 1HG2 ILE 24 1HG2 ILE 24 5.217 -2.480 -1.542 176 2HG2 ILE 24 2HG2 ILE 24 5.301 -0.710 -1.436 177 3HG2 ILE 24 3HG2 ILE 24 4.214 -1.634 -0.383 178 1HD1 ILE 24 1HD1 ILE 24 4.300 0.123 0.888 179 2HD1 ILE 24 2HD1 ILE 24 5.071 0.695 2.356 180 3HD1 ILE 24 3HD1 ILE 24 4.507 -0.982 2.248 181 H LYS 25 H LYS 25 4.053 -4.512 0.292 182 HA LYS 25 HA LYS 25 5.609 -6.243 -1.517 183 1HB LYS 25 1HB LYS 25 4.253 -7.034 0.538 184 2HB LYS 25 2HB LYS 25 2.848 -6.668 -0.414 185 1HG LYS 25 1HG LYS 25 4.923 -8.792 -1.111 186 2HG LYS 25 2HG LYS 25 3.391 -9.110 -0.336 187 1HD LYS 25 1HD LYS 25 3.022 -9.720 -2.561 188 2HD LYS 25 2HD LYS 25 2.356 -8.098 -2.492 189 1HE LYS 25 1HE LYS 25 3.666 -8.428 -4.519 190 2HE LYS 25 2HE LYS 25 4.420 -7.215 -3.488 191 1HZ LYS 25 1HZ LYS 25 5.982 -8.922 -2.730 192 2HZ LYS 25 2HZ LYS 25 6.050 -8.716 -4.387 193 3HZ LYS 25 3HZ LYS 25 5.254 -10.054 -3.749 194 H THR 26 H THR 26 2.368 -4.787 -1.091 195 HA THR 26 HA THR 26 2.457 -3.807 -3.801 196 HB THR 26 HB THR 26 1.463 -6.087 -4.004 197 HG1 THR 26 HG1 THR 26 -0.719 -5.207 -4.792 198 1HG2 THR 26 1HG2 THR 26 0.474 -6.301 -1.796 199 2HG2 THR 26 2HG2 THR 26 -0.763 -6.541 -3.031 200 3HG2 THR 26 3HG2 THR 26 -0.670 -5.012 -2.157 201 H TYR 27 H TYR 27 0.511 -2.368 -4.170 202 HA TYR 27 HA TYR 27 -0.639 -1.379 -1.680 203 1HB TYR 27 1HB TYR 27 -0.189 0.935 -2.220 204 2HB TYR 27 2HB TYR 27 1.335 0.116 -2.359 205 HD1 TYR 27 HD1 TYR 27 -1.408 1.659 -4.166 206 HD2 TYR 27 HD2 TYR 27 2.427 -0.083 -4.478 207 HE1 TYR 27 HE1 TYR 27 -1.254 2.548 -6.392 208 HE2 TYR 27 HE2 TYR 27 2.633 0.824 -6.797 209 HH TYR 27 HH TYR 27 1.100 1.526 -8.604 210 H THR 28 H THR 28 -2.550 -0.222 -2.082 211 HA THR 28 HA THR 28 -3.658 -0.296 -4.758 212 HB THR 28 HB THR 28 -5.099 -1.235 -2.294 213 HG1 THR 28 HG1 THR 28 -3.459 -2.480 -3.987 214 1HG2 THR 28 1HG2 THR 28 -5.966 -1.187 -5.197 215 2HG2 THR 28 2HG2 THR 28 -6.578 -0.153 -3.902 216 3HG2 THR 28 3HG2 THR 28 -6.893 -1.885 -3.865 217 H ILE 29 H ILE 29 -4.296 1.704 -5.156 218 HA ILE 29 HA ILE 29 -4.809 3.499 -2.910 219 HB ILE 29 HB ILE 29 -4.723 4.126 -5.889 220 1HG1 ILE 29 1HG1 ILE 29 -2.700 4.681 -3.695 221 2HG1 ILE 29 2HG1 ILE 29 -2.510 3.521 -4.992 222 1HG2 ILE 29 1HG2 ILE 29 -4.719 6.495 -5.204 223 2HG2 ILE 29 2HG2 ILE 29 -4.926 6.003 -3.523 224 3HG2 ILE 29 3HG2 ILE 29 -6.196 5.672 -4.699 225 1HD1 ILE 29 1HD1 ILE 29 -1.242 5.521 -5.408 226 2HD1 ILE 29 2HD1 ILE 29 -2.709 6.491 -5.258 227 3HD1 ILE 29 3HD1 ILE 29 -2.535 5.364 -6.610 228 H THR 30 H THR 30 -6.813 4.050 -2.295 229 HA THR 30 HA THR 30 -8.932 3.092 -4.049 230 HB THR 30 HB THR 30 -10.257 2.580 -1.976 231 HG1 THR 30 HG1 THR 30 -7.729 3.093 -0.761 232 1HG2 THR 30 1HG2 THR 30 -9.162 0.406 -1.563 233 2HG2 THR 30 2HG2 THR 30 -7.714 0.998 -2.373 234 3HG2 THR 30 3HG2 THR 30 -9.206 0.789 -3.287 235 H GLU 31 H GLU 31 -10.182 4.622 -4.685 236 HA GLU 31 HA GLU 31 -10.330 7.040 -3.086 237 1HB GLU 31 1HB GLU 31 -10.965 6.534 -5.978 238 2HB GLU 31 2HB GLU 31 -11.177 8.073 -5.158 239 1HG GLU 31 1HG GLU 31 -8.792 8.178 -4.714 240 2HG GLU 31 2HG GLU 31 -8.570 6.623 -5.506 241 H GLY 32 H GLY 32 -12.169 7.756 -2.390 242 1HA GLY 32 1HA GLY 32 -14.750 7.216 -3.183 243 2HA GLY 32 2HA GLY 32 -14.341 5.994 -1.971 244 H SER 33 H SER 33 -14.355 9.427 -2.603 245 HA SER 33 HA SER 33 -14.604 11.271 -1.374 246 1HB SER 33 1HB SER 33 -15.413 9.417 0.898 247 2HB SER 33 2HB SER 33 -15.600 11.171 0.902 248 HG SER 33 HG SER 33 -17.084 9.218 -0.342 249 H LEU 34 H LEU 34 -13.260 8.833 0.730 250 HA LEU 34 HA LEU 34 -10.982 10.584 1.348 251 1HB LEU 34 1HB LEU 34 -12.482 9.591 3.195 252 2HB LEU 34 2HB LEU 34 -11.899 8.027 2.706 253 HG LEU 34 HG LEU 34 -10.288 10.238 3.916 254 1HD1 LEU 34 1HD1 LEU 34 -10.133 8.720 5.853 255 2HD1 LEU 34 2HD1 LEU 34 -11.234 7.613 5.040 256 3HD1 LEU 34 3HD1 LEU 34 -11.785 9.224 5.502 257 1HD2 LEU 34 1HD2 LEU 34 -8.923 8.851 2.402 258 2HD2 LEU 34 2HD2 LEU 34 -9.393 7.410 3.319 259 3HD2 LEU 34 3HD2 LEU 34 -8.453 8.695 4.086 260 H ARG 35 H ARG 35 -9.232 10.045 0.058 261 HA ARG 35 HA ARG 35 -9.259 7.351 -1.033 262 1HB ARG 35 1HB ARG 35 -7.612 8.057 -2.662 263 2HB ARG 35 2HB ARG 35 -8.918 9.229 -2.647 264 1HG ARG 35 1HG ARG 35 -7.522 10.706 -1.248 265 2HG ARG 35 2HG ARG 35 -6.270 9.443 -1.352 266 1HD ARG 35 1HD ARG 35 -6.104 9.729 -3.735 267 2HD ARG 35 2HD ARG 35 -7.422 10.900 -3.728 268 HE ARG 35 HE ARG 35 -5.752 12.089 -2.092 269 1HH1 ARG 35 1HH1 ARG 35 -5.008 10.489 -5.170 270 2HH1 ARG 35 2HH1 ARG 35 -3.713 11.514 -5.553 271 1HH2 ARG 35 1HH2 ARG 35 -3.991 13.510 -2.650 272 2HH2 ARG 35 2HH2 ARG 35 -3.128 13.263 -4.102 273 H ALA 36 H ALA 36 -7.944 5.866 -0.392 274 HA ALA 36 HA ALA 36 -5.706 6.632 1.345 275 1HB ALA 36 1HB ALA 36 -7.654 4.384 1.855 276 2HB ALA 36 2HB ALA 36 -7.562 5.903 2.752 277 3HB ALA 36 3HB ALA 36 -6.220 4.755 2.816 278 H VAL 37 H VAL 37 -3.840 5.585 0.888 279 HA VAL 37 HA VAL 37 -4.051 3.510 -1.084 280 HB VAL 37 HB VAL 37 -2.451 5.286 -1.659 281 1HG1 VAL 37 1HG1 VAL 37 -0.457 5.697 -0.365 282 2HG1 VAL 37 2HG1 VAL 37 -1.075 4.638 0.909 283 3HG1 VAL 37 3HG1 VAL 37 -1.925 6.132 0.512 284 1HG2 VAL 37 1HG2 VAL 37 -1.906 3.028 -2.380 285 2HG2 VAL 37 2HG2 VAL 37 -1.051 2.747 -0.864 286 3HG2 VAL 37 3HG2 VAL 37 -0.444 3.944 -2.008 287 H ILE 38 H ILE 38 -4.120 1.568 -0.445 288 HA ILE 38 HA ILE 38 -3.325 0.916 2.265 289 HB ILE 38 HB ILE 38 -5.009 -0.629 0.259 290 1HG1 ILE 38 1HG1 ILE 38 -5.801 0.920 2.741 291 2HG1 ILE 38 2HG1 ILE 38 -6.089 1.419 1.083 292 1HG2 ILE 38 1HG2 ILE 38 -3.846 -2.143 1.799 293 2HG2 ILE 38 2HG2 ILE 38 -5.576 -2.110 2.149 294 3HG2 ILE 38 3HG2 ILE 38 -4.451 -1.222 3.177 295 1HD1 ILE 38 1HD1 ILE 38 -7.266 -0.996 2.440 296 2HD1 ILE 38 2HD1 ILE 38 -7.580 -0.501 0.777 297 3HD1 ILE 38 3HD1 ILE 38 -8.095 0.526 2.121 298 H PHE 39 H PHE 39 -1.551 -0.123 2.599 299 HA PHE 39 HA PHE 39 -0.174 -1.404 0.361 300 1HB PHE 39 1HB PHE 39 0.878 -0.264 2.935 301 2HB PHE 39 2HB PHE 39 1.840 -1.276 1.867 302 HD1 PHE 39 HD1 PHE 39 2.508 -0.489 -0.296 303 HD2 PHE 39 HD2 PHE 39 0.338 1.989 2.369 304 HE1 PHE 39 HE1 PHE 39 3.136 1.464 -1.629 305 HE2 PHE 39 HE2 PHE 39 0.947 3.946 1.045 306 HZ PHE 39 HZ PHE 39 2.361 3.662 -0.992 307 H ILE 40 H ILE 40 0.158 -3.461 0.414 308 HA ILE 40 HA ILE 40 -0.603 -4.845 2.871 309 HB ILE 40 HB ILE 40 -0.134 -6.209 0.199 310 1HG1 ILE 40 1HG1 ILE 40 -1.827 -4.476 -0.212 311 2HG1 ILE 40 2HG1 ILE 40 -2.529 -6.075 -0.271 312 1HG2 ILE 40 1HG2 ILE 40 -1.824 -6.824 2.604 313 2HG2 ILE 40 2HG2 ILE 40 -0.268 -7.584 2.246 314 3HG2 ILE 40 3HG2 ILE 40 -1.672 -7.884 1.200 315 1HD1 ILE 40 1HD1 ILE 40 -4.013 -4.493 0.904 316 2HD1 ILE 40 2HD1 ILE 40 -2.734 -4.165 2.077 317 3HD1 ILE 40 3HD1 ILE 40 -3.449 -5.769 1.982 318 H THR 41 H THR 41 0.996 -5.862 3.950 319 HA THR 41 HA THR 41 3.659 -5.255 3.038 320 HB THR 41 HB THR 41 4.355 -6.004 5.240 321 HG1 THR 41 HG1 THR 41 2.748 -6.564 6.757 322 1HG2 THR 41 1HG2 THR 41 3.689 -3.682 4.955 323 2HG2 THR 41 2HG2 THR 41 3.222 -4.259 6.557 324 3HG2 THR 41 3HG2 THR 41 2.007 -4.111 5.287 325 H LYS 42 H LYS 42 5.342 -7.012 3.664 326 HA LYS 42 HA LYS 42 4.885 -9.203 1.936 327 1HB LYS 42 1HB LYS 42 7.166 -8.652 3.818 328 2HB LYS 42 2HB LYS 42 7.140 -9.944 2.625 329 1HG LYS 42 1HG LYS 42 6.895 -8.282 0.836 330 2HG LYS 42 2HG LYS 42 6.957 -6.998 2.034 331 1HD LYS 42 1HD LYS 42 9.116 -7.267 0.975 332 2HD LYS 42 2HD LYS 42 9.204 -7.722 2.679 333 1HE LYS 42 1HE LYS 42 9.113 -10.061 2.098 334 2HE LYS 42 2HE LYS 42 8.893 -9.667 0.393 335 1HZ LYS 42 1HZ LYS 42 11.298 -9.036 2.026 336 2HZ LYS 42 2HZ LYS 42 11.097 -8.671 0.396 337 3HZ LYS 42 3HZ LYS 42 11.177 -10.274 0.888 338 H ARG 43 H ARG 43 4.216 -8.725 5.181 339 HA ARG 43 HA ARG 43 4.113 -11.561 5.788 340 1HB ARG 43 1HB ARG 43 3.434 -9.133 7.438 341 2HB ARG 43 2HB ARG 43 3.163 -10.776 7.998 342 1HG ARG 43 1HG ARG 43 5.844 -9.605 7.254 343 2HG ARG 43 2HG ARG 43 5.233 -9.828 8.896 344 1HD ARG 43 1HD ARG 43 5.108 -12.260 8.460 345 2HD ARG 43 2HD ARG 43 5.787 -11.981 6.861 346 HE ARG 43 HE ARG 43 7.481 -10.816 8.704 347 1HH1 ARG 43 1HH1 ARG 43 6.418 -14.079 7.825 348 2HH1 ARG 43 2HH1 ARG 43 7.854 -14.836 8.334 349 1HH2 ARG 43 1HH2 ARG 43 9.455 -11.879 9.429 350 2HH2 ARG 43 2HH2 ARG 43 9.607 -13.560 9.242 351 H GLY 44 H GLY 44 2.149 -9.373 4.213 352 1HA GLY 44 1HA GLY 44 0.133 -9.984 3.202 353 2HA GLY 44 2HA GLY 44 -0.060 -11.251 4.403 354 H LEU 45 H LEU 45 0.793 -8.327 5.820 355 HA LEU 45 HA LEU 45 -1.911 -8.015 6.891 356 1HB LEU 45 1HB LEU 45 0.653 -6.590 7.549 357 2HB LEU 45 2HB LEU 45 -0.877 -6.362 8.367 358 HG LEU 45 HG LEU 45 0.717 -8.888 8.308 359 1HD1 LEU 45 1HD1 LEU 45 0.230 -6.855 10.461 360 2HD1 LEU 45 2HD1 LEU 45 1.756 -7.125 9.617 361 3HD1 LEU 45 3HD1 LEU 45 1.103 -8.370 10.695 362 1HD2 LEU 45 1HD2 LEU 45 -0.871 -9.654 10.042 363 2HD2 LEU 45 2HD2 LEU 45 -1.648 -9.373 8.489 364 3HD2 LEU 45 3HD2 LEU 45 -1.824 -8.190 9.788 365 H LYS 46 H LYS 46 -2.960 -6.123 6.935 366 HA LYS 46 HA LYS 46 -2.557 -4.643 4.437 367 1HB LYS 46 1HB LYS 46 -5.008 -4.870 6.157 368 2HB LYS 46 2HB LYS 46 -4.893 -4.241 4.511 369 1HG LYS 46 1HG LYS 46 -4.390 -6.366 3.622 370 2HG LYS 46 2HG LYS 46 -4.148 -7.022 5.242 371 1HD LYS 46 1HD LYS 46 -6.235 -7.777 4.423 372 2HD LYS 46 2HD LYS 46 -6.519 -6.600 5.703 373 1HE LYS 46 1HE LYS 46 -8.071 -6.078 3.906 374 2HE LYS 46 2HE LYS 46 -6.794 -4.855 3.929 375 1HZ LYS 46 1HZ LYS 46 -6.955 -7.172 2.105 376 2HZ LYS 46 2HZ LYS 46 -5.690 -6.104 2.113 377 3HZ LYS 46 3HZ LYS 46 -7.245 -5.574 1.668 378 H VAL 47 H VAL 47 -1.742 -2.804 4.708 379 HA VAL 47 HA VAL 47 -2.228 -1.306 7.190 380 HB VAL 47 HB VAL 47 0.233 -1.130 5.407 381 1HG1 VAL 47 1HG1 VAL 47 1.217 0.257 7.175 382 2HG1 VAL 47 2HG1 VAL 47 -0.296 0.182 8.074 383 3HG1 VAL 47 3HG1 VAL 47 -0.240 1.001 6.514 384 1HG2 VAL 47 1HG2 VAL 47 1.434 -2.197 7.268 385 2HG2 VAL 47 2HG2 VAL 47 0.160 -3.236 6.622 386 3HG2 VAL 47 3HG2 VAL 47 -0.091 -2.373 8.135 387 H CYS 48 H CYS 48 -2.570 0.978 6.971 388 HA CYS 48 HA CYS 48 -3.308 1.772 4.241 389 1HB CYS 48 1HB CYS 48 -4.651 2.489 6.844 390 2HB CYS 48 2HB CYS 48 -5.137 3.036 5.241 391 H ALA 49 H ALA 49 -2.353 3.604 3.586 392 HA ALA 49 HA ALA 49 -0.994 5.186 5.631 393 1HB ALA 49 1HB ALA 49 0.926 5.358 4.162 394 2HB ALA 49 2HB ALA 49 0.089 4.349 2.969 395 3HB ALA 49 3HB ALA 49 0.556 3.666 4.521 396 H ASP 50 H ASP 50 -0.638 7.314 5.183 397 HA ASP 50 HA ASP 50 -2.676 8.582 3.640 398 1HB ASP 50 1HB ASP 50 -1.997 9.518 5.784 399 2HB ASP 50 2HB ASP 50 -0.339 9.656 5.224 400 HA PRO 51 HA PRO 51 -0.215 8.544 -0.110 401 1HB PRO 51 1HB PRO 51 -1.892 10.051 -1.634 402 2HB PRO 51 2HB PRO 51 -2.213 8.358 -1.239 403 1HG PRO 51 1HG PRO 51 -3.308 10.839 0.036 404 2HG PRO 51 2HG PRO 51 -4.158 9.355 -0.427 405 1HD PRO 51 1HD PRO 51 -3.413 9.860 2.114 406 2HD PRO 51 2HD PRO 51 -3.448 8.212 1.457 407 H GLN 52 H GLN 52 -0.872 11.227 1.852 408 HA GLN 52 HA GLN 52 0.388 13.193 0.124 409 1HB GLN 52 1HB GLN 52 -0.686 13.491 2.936 410 2HB GLN 52 2HB GLN 52 -0.307 14.788 1.800 411 1HG GLN 52 1HG GLN 52 -2.110 14.137 0.361 412 2HG GLN 52 2HG GLN 52 -2.427 12.708 1.337 413 1HE2 GLN 52 1HE2 GLN 52 -3.363 12.969 3.371 414 2HE2 GLN 52 2HE2 GLN 52 -4.248 14.392 3.768 415 H ALA 53 H ALA 53 1.187 10.894 2.447 416 HA ALA 53 HA ALA 53 3.518 12.150 3.573 417 1HB ALA 53 1HB ALA 53 2.327 10.336 4.730 418 2HB ALA 53 2HB ALA 53 4.008 9.901 4.402 419 3HB ALA 53 3HB ALA 53 2.713 9.253 3.398 420 H THR 54 H THR 54 5.470 12.250 2.839 421 HA THR 54 HA THR 54 5.939 11.902 0.112 422 HB THR 54 HB THR 54 7.960 12.299 2.327 423 HG1 THR 54 HG1 THR 54 7.111 14.178 2.487 424 1HG2 THR 54 1HG2 THR 54 8.954 11.683 0.164 425 2HG2 THR 54 2HG2 THR 54 9.297 13.370 0.551 426 3HG2 THR 54 3HG2 THR 54 8.048 12.970 -0.628 427 H TRP 55 H TRP 55 6.663 9.893 2.895 428 HA TRP 55 HA TRP 55 8.501 8.218 1.476 429 1HB TRP 55 1HB TRP 55 8.467 6.691 3.358 430 2HB TRP 55 2HB TRP 55 8.419 8.322 3.993 431 HD1 TRP 55 HD1 TRP 55 6.128 9.090 5.060 432 HE1 TRP 55 HE1 TRP 55 4.190 7.729 6.158 433 HE3 TRP 55 HE3 TRP 55 7.253 4.560 3.190 434 HZ2 TRP 55 HZ2 TRP 55 3.302 5.064 6.181 435 HZ3 TRP 55 HZ3 TRP 55 5.831 2.615 3.761 436 HH2 TRP 55 HH2 TRP 55 3.898 2.866 5.221 437 H VAL 56 H VAL 56 5.098 8.243 1.958 438 HA VAL 56 HA VAL 56 4.486 5.707 0.857 439 HB VAL 56 HB VAL 56 2.781 8.203 1.159 440 1HG1 VAL 56 1HG1 VAL 56 0.876 6.719 0.814 441 2HG1 VAL 56 2HG1 VAL 56 2.002 5.420 0.364 442 3HG1 VAL 56 3HG1 VAL 56 1.890 6.875 -0.620 443 1HG2 VAL 56 1HG2 VAL 56 3.517 7.213 3.257 444 2HG2 VAL 56 2HG2 VAL 56 2.875 5.652 2.746 445 3HG2 VAL 56 3HG2 VAL 56 1.785 7.013 3.014 446 H ARG 57 H ARG 57 4.443 8.981 -0.405 447 HA ARG 57 HA ARG 57 3.676 8.400 -3.008 448 1HB ARG 57 1HB ARG 57 5.547 10.539 -2.027 449 2HB ARG 57 2HB ARG 57 4.868 10.479 -3.648 450 1HG ARG 57 1HG ARG 57 2.641 10.612 -2.726 451 2HG ARG 57 2HG ARG 57 3.316 10.691 -1.098 452 1HD ARG 57 1HD ARG 57 4.471 12.739 -1.644 453 2HD ARG 57 2HD ARG 57 3.881 12.653 -3.301 454 HE ARG 57 HE ARG 57 1.676 12.587 -1.661 455 1HH1 ARG 57 1HH1 ARG 57 4.330 14.803 -2.388 456 2HH1 ARG 57 2HH1 ARG 57 3.463 16.224 -2.088 457 1HH2 ARG 57 1HH2 ARG 57 0.425 14.564 -1.279 458 2HH2 ARG 57 2HH2 ARG 57 1.166 16.085 -1.447 459 H ASP 58 H ASP 58 6.808 8.338 -1.529 460 HA ASP 58 HA ASP 58 8.235 7.738 -3.879 461 1HB ASP 58 1HB ASP 58 9.383 8.613 -1.935 462 2HB ASP 58 2HB ASP 58 8.950 7.183 -1.004 463 H CYS 59 H CYS 59 6.862 5.568 -1.376 464 HA CYS 59 HA CYS 59 7.924 3.289 -2.758 465 1HB CYS 59 1HB CYS 59 5.957 3.391 -0.525 466 2HB CYS 59 2HB CYS 59 6.671 1.959 -1.249 467 H VAL 60 H VAL 60 4.797 4.845 -2.606 468 HA VAL 60 HA VAL 60 3.368 2.789 -3.869 469 HB VAL 60 HB VAL 60 2.447 4.861 -2.622 470 1HG1 VAL 60 1HG1 VAL 60 3.618 6.585 -3.873 471 2HG1 VAL 60 2HG1 VAL 60 1.841 6.779 -4.000 472 3HG1 VAL 60 3HG1 VAL 60 2.751 6.056 -5.326 473 1HG2 VAL 60 1HG2 VAL 60 0.977 3.309 -3.696 474 2HG2 VAL 60 2HG2 VAL 60 1.170 4.139 -5.240 475 3HG2 VAL 60 3HG2 VAL 60 0.385 4.951 -3.880 476 H ARG 61 H ARG 61 5.565 5.151 -4.916 477 HA ARG 61 HA ARG 61 4.913 4.645 -7.731 478 1HB ARG 61 1HB ARG 61 6.927 6.600 -6.604 479 2HB ARG 61 2HB ARG 61 6.603 6.376 -8.320 480 1HG ARG 61 1HG ARG 61 4.667 7.392 -6.243 481 2HG ARG 61 2HG ARG 61 5.456 8.347 -7.495 482 1HD ARG 61 1HD ARG 61 4.280 6.995 -9.212 483 2HD ARG 61 2HD ARG 61 3.481 6.100 -7.925 484 HE ARG 61 HE ARG 61 3.095 8.898 -7.671 485 1HH1 ARG 61 1HH1 ARG 61 1.908 6.047 -9.375 486 2HH1 ARG 61 2HH1 ARG 61 0.382 6.697 -9.727 487 1HH2 ARG 61 1HH2 ARG 61 0.970 9.815 -8.163 488 2HH2 ARG 61 2HH2 ARG 61 -0.163 8.886 -9.029 489 H SER 62 H SER 62 7.453 4.008 -5.411 490 HA SER 62 HA SER 62 9.264 2.843 -7.170 491 1HB SER 62 1HB SER 62 8.776 2.211 -4.211 492 2HB SER 62 2HB SER 62 10.145 1.611 -5.131 493 HG SER 62 HG SER 62 9.509 4.288 -4.458 494 H MET 63 H MET 63 6.455 1.427 -5.566 495 HA MET 63 HA MET 63 6.863 -1.107 -6.823 496 1HB MET 63 1HB MET 63 4.575 0.010 -5.260 497 2HB MET 63 2HB MET 63 4.464 -1.548 -6.070 498 1HG MET 63 1HG MET 63 6.506 -0.768 -4.032 499 2HG MET 63 2HG MET 63 5.081 -1.786 -3.768 500 1HE MET 63 1HE MET 63 6.712 -3.716 -2.778 501 2HE MET 63 2HE MET 63 8.102 -2.677 -3.085 502 3HE MET 63 3HE MET 63 8.104 -4.348 -3.661 503 H ASP 64 H ASP 64 5.131 1.731 -7.636 504 HA ASP 64 HA ASP 64 3.487 0.700 -9.672 505 1HB ASP 64 1HB ASP 64 3.236 3.008 -8.858 506 2HB ASP 64 2HB ASP 64 4.788 3.428 -9.571 507 H ARG 65 H ARG 65 6.760 1.925 -9.774 508 HA ARG 65 HA ARG 65 7.326 1.626 -12.510 509 1HB ARG 65 1HB ARG 65 9.172 1.269 -10.148 510 2HB ARG 65 2HB ARG 65 9.690 1.440 -11.814 511 1HG ARG 65 1HG ARG 65 8.835 3.693 -11.884 512 2HG ARG 65 2HG ARG 65 8.183 3.522 -10.250 513 1HD ARG 65 1HD ARG 65 10.314 4.733 -10.228 514 2HD ARG 65 2HD ARG 65 10.437 3.196 -9.374 515 HE ARG 65 HE ARG 65 11.212 3.030 -12.124 516 1HH1 ARG 65 1HH1 ARG 65 12.402 3.799 -8.857 517 2HH1 ARG 65 2HH1 ARG 65 14.029 3.538 -9.238 518 1HH2 ARG 65 1HH2 ARG 65 13.477 2.687 -12.635 519 2HH2 ARG 65 2HH2 ARG 65 14.654 2.918 -11.431 520 H LYS 66 H LYS 66 7.326 -0.653 -9.900 521 HA LYS 66 HA LYS 66 8.623 -2.741 -11.374 522 1HB LYS 66 1HB LYS 66 7.235 -2.809 -8.698 523 2HB LYS 66 2HB LYS 66 8.163 -4.130 -9.390 524 1HG LYS 66 1HG LYS 66 10.173 -2.714 -9.378 525 2HG LYS 66 2HG LYS 66 9.225 -1.411 -8.669 526 1HD LYS 66 1HD LYS 66 8.780 -2.757 -6.701 527 2HD LYS 66 2HD LYS 66 9.644 -4.120 -7.412 528 1HE LYS 66 1HE LYS 66 11.056 -2.982 -5.807 529 2HE LYS 66 2HE LYS 66 11.709 -2.789 -7.428 530 1HZ LYS 66 1HZ LYS 66 10.164 -0.766 -5.901 531 2HZ LYS 66 2HZ LYS 66 10.713 -0.550 -7.484 532 3HZ LYS 66 3HZ LYS 66 11.810 -0.707 -6.230 533 H SER 67 H SER 67 5.303 -2.112 -10.284 534 HA SER 67 HA SER 67 4.448 -4.285 -12.053 535 1HB SER 67 1HB SER 67 3.214 -3.416 -9.442 536 2HB SER 67 2HB SER 67 2.628 -4.716 -10.485 537 HG SER 67 HG SER 67 4.698 -5.681 -10.213 538 H ASN 68 H ASN 68 3.739 -3.242 -13.823 539 HA ASN 68 HA ASN 68 2.358 -2.128 -15.207 540 1HB ASN 68 1HB ASN 68 0.563 -3.267 -14.014 541 2HB ASN 68 2HB ASN 68 0.552 -2.010 -12.783 542 1HD2 ASN 68 1HD2 ASN 68 -0.415 -0.048 -13.260 543 2HD2 ASN 68 2HD2 ASN 68 -1.466 0.184 -14.616 544 H THR 69 H THR 69 3.659 -0.376 -15.639 545 HA THR 69 HA THR 69 2.760 2.069 -14.352 546 HB THR 69 HB THR 69 4.917 1.417 -13.385 547 HG1 THR 69 HG1 THR 69 4.767 3.464 -13.293 548 1HG2 THR 69 1HG2 THR 69 5.885 1.743 -16.187 549 2HG2 THR 69 2HG2 THR 69 5.791 0.234 -15.273 550 3HG2 THR 69 3HG2 THR 69 6.954 1.496 -14.788 551 H ARG 70 H ARG 70 2.738 3.886 -15.624 552 HA ARG 70 HA ARG 70 2.383 3.215 -18.412 553 1HB ARG 70 1HB ARG 70 1.706 5.725 -16.859 554 2HB ARG 70 2HB ARG 70 1.482 5.582 -18.588 555 1HG ARG 70 1HG ARG 70 -0.646 5.226 -17.500 556 2HG ARG 70 2HG ARG 70 -0.076 3.701 -18.183 557 1HD ARG 70 1HD ARG 70 -1.058 3.373 -15.984 558 2HD ARG 70 2HD ARG 70 0.662 2.980 -15.983 559 HE ARG 70 HE ARG 70 -0.139 5.641 -15.140 560 1HH1 ARG 70 1HH1 ARG 70 0.936 2.390 -14.141 561 2HH1 ARG 70 2HH1 ARG 70 1.448 2.933 -12.617 562 1HH2 ARG 70 1HH2 ARG 70 0.517 6.293 -13.034 563 2HH2 ARG 70 2HH2 ARG 70 1.220 5.154 -11.967 564 H ASN 71 H ASN 71 3.374 4.272 -20.108 565 HA ASN 71 HA ASN 71 6.122 4.821 -19.681 566 1HB ASN 71 1HB ASN 71 4.413 5.147 -22.155 567 2HB ASN 71 2HB ASN 71 6.148 5.399 -22.129 568 1HD2 ASN 71 1HD2 ASN 71 7.489 3.633 -21.910 569 2HD2 ASN 71 2HD2 ASN 71 6.961 2.009 -22.149 570 H ASN 72 H ASN 72 3.295 6.781 -20.182 571 HA ASN 72 HA ASN 72 4.989 9.114 -19.647 572 1HB ASN 72 1HB ASN 72 4.073 9.163 -21.947 573 2HB ASN 72 2HB ASN 72 2.446 9.026 -21.295 574 1HD2 ASN 72 1HD2 ASN 72 1.840 10.959 -22.236 575 2HD2 ASN 72 2HD2 ASN 72 2.350 12.489 -21.664 576 H MET 73 H MET 73 4.405 10.350 -17.958 577 HA MET 73 HA MET 73 1.783 10.122 -16.776 578 1HB MET 73 1HB MET 73 3.388 8.235 -15.898 579 2HB MET 73 2HB MET 73 4.226 9.536 -15.083 580 1HG MET 73 1HG MET 73 1.335 8.788 -14.664 581 2HG MET 73 2HG MET 73 2.656 8.285 -13.629 582 1HE MET 73 1HE MET 73 -0.033 9.643 -12.591 583 2HE MET 73 2HE MET 73 0.607 10.789 -11.411 584 3HE MET 73 3HE MET 73 1.289 9.164 -11.524 585 H ILE 74 H ILE 74 1.469 11.967 -15.406 586 HA ILE 74 HA ILE 74 3.015 14.247 -16.133 587 HB ILE 74 HB ILE 74 0.907 13.980 -13.957 588 1HG1 ILE 74 1HG1 ILE 74 0.633 14.874 -16.845 589 2HG1 ILE 74 2HG1 ILE 74 0.032 13.376 -16.159 590 1HG2 ILE 74 1HG2 ILE 74 2.310 15.962 -13.657 591 2HG2 ILE 74 2HG2 ILE 74 0.682 16.422 -14.150 592 3HG2 ILE 74 3HG2 ILE 74 1.995 16.448 -15.325 593 1HD1 ILE 74 1HD1 ILE 74 -1.512 14.635 -14.745 594 2HD1 ILE 74 2HD1 ILE 74 -1.750 15.000 -16.453 595 3HD1 ILE 74 3HD1 ILE 74 -0.893 16.142 -15.418 596 H GLN 75 H GLN 75 5.089 14.146 -15.409 597 HA GLN 75 HA GLN 75 5.507 13.676 -12.555 598 1HB GLN 75 1HB GLN 75 7.493 13.559 -14.831 599 2HB GLN 75 2HB GLN 75 7.866 13.258 -13.142 600 1HG GLN 75 1HG GLN 75 6.362 11.327 -13.163 601 2HG GLN 75 2HG GLN 75 6.015 11.624 -14.866 602 1HE2 GLN 75 1HE2 GLN 75 7.633 11.244 -16.390 603 2HE2 GLN 75 2HE2 GLN 75 9.007 10.278 -16.044 Start of MODEL 17 1 1H GLY 2 1H GLY 2 -16.318 -17.035 2.035 2 1HA GLY 2 1HA GLY 2 -15.949 -16.928 -0.237 3 2HA GLY 2 2HA GLY 2 -15.511 -15.231 -0.064 4 H SER 3 H SER 3 -13.789 -16.114 -1.597 5 HA SER 3 HA SER 3 -11.609 -17.405 -0.145 6 1HB SER 3 1HB SER 3 -11.876 -16.724 -3.075 7 2HB SER 3 2HB SER 3 -10.592 -17.687 -2.343 8 HG SER 3 HG SER 3 -13.098 -18.522 -1.701 9 H GLU 4 H GLU 4 -12.700 -14.341 -1.044 10 HA GLU 4 HA GLU 4 -10.000 -13.214 -0.884 11 1HB GLU 4 1HB GLU 4 -10.884 -11.211 -1.941 12 2HB GLU 4 2HB GLU 4 -11.331 -12.600 -2.910 13 1HG GLU 4 1HG GLU 4 -13.153 -11.107 -1.012 14 2HG GLU 4 2HG GLU 4 -13.138 -10.941 -2.761 15 H VAL 5 H VAL 5 -12.392 -14.080 1.034 16 HA VAL 5 HA VAL 5 -13.129 -13.589 3.111 17 HB VAL 5 HB VAL 5 -10.898 -11.478 3.195 18 1HG1 VAL 5 1HG1 VAL 5 -10.953 -11.751 5.637 19 2HG1 VAL 5 2HG1 VAL 5 -12.295 -12.881 5.481 20 3HG1 VAL 5 3HG1 VAL 5 -12.509 -11.190 5.020 21 1HG2 VAL 5 1HG2 VAL 5 -9.513 -13.191 4.286 22 2HG2 VAL 5 2HG2 VAL 5 -9.982 -13.671 2.657 23 3HG2 VAL 5 3HG2 VAL 5 -10.803 -14.370 4.053 24 H SER 6 H SER 6 -13.908 -12.205 0.610 25 HA SER 6 HA SER 6 -15.343 -10.676 -0.188 26 1HB SER 6 1HB SER 6 -16.107 -10.291 2.717 27 2HB SER 6 2HB SER 6 -17.090 -9.860 1.317 28 HG SER 6 HG SER 6 -16.171 -12.462 1.465 29 H ASP 7 H ASP 7 -12.623 -9.916 0.659 30 HA ASP 7 HA ASP 7 -12.377 -7.570 2.040 31 1HB ASP 7 1HB ASP 7 -10.444 -8.903 1.374 32 2HB ASP 7 2HB ASP 7 -10.709 -8.474 -0.309 33 H LYS 8 H LYS 8 -13.395 -5.908 1.878 34 HA LYS 8 HA LYS 8 -14.942 -4.850 -0.206 35 1HB LYS 8 1HB LYS 8 -13.688 -3.442 2.116 36 2HB LYS 8 2HB LYS 8 -15.031 -2.876 1.156 37 1HG LYS 8 1HG LYS 8 -16.444 -4.600 1.982 38 2HG LYS 8 2HG LYS 8 -15.081 -5.374 2.810 39 1HD LYS 8 1HD LYS 8 -15.733 -2.583 3.220 40 2HD LYS 8 2HD LYS 8 -16.638 -3.790 4.212 41 1HE LYS 8 1HE LYS 8 -13.672 -3.089 4.096 42 2HE LYS 8 2HE LYS 8 -14.766 -2.842 5.447 43 1HZ LYS 8 1HZ LYS 8 -13.345 -4.728 5.820 44 2HZ LYS 8 2HZ LYS 8 -13.858 -5.496 4.433 45 3HZ LYS 8 3HZ LYS 8 -14.935 -5.244 5.710 46 H ARG 9 H ARG 9 -12.014 -3.890 1.209 47 HA ARG 9 HA ARG 9 -10.074 -2.915 0.473 48 1HB ARG 9 1HB ARG 9 -11.355 -2.773 -2.292 49 2HB ARG 9 2HB ARG 9 -9.696 -2.298 -1.943 50 1HG ARG 9 1HG ARG 9 -9.128 -4.552 -1.326 51 2HG ARG 9 2HG ARG 9 -10.801 -5.054 -1.475 52 1HD ARG 9 1HD ARG 9 -9.536 -5.808 -3.394 53 2HD ARG 9 2HD ARG 9 -10.698 -4.597 -3.890 54 HE ARG 9 HE ARG 9 -8.957 -3.059 -4.165 55 1HH1 ARG 9 1HH1 ARG 9 -7.780 -6.332 -3.413 56 2HH1 ARG 9 2HH1 ARG 9 -6.315 -6.161 -4.258 57 1HH2 ARG 9 1HH2 ARG 9 -6.894 -2.871 -5.393 58 2HH2 ARG 9 2HH2 ARG 9 -5.791 -4.155 -5.384 59 H THR 10 H THR 10 -10.683 -1.524 1.981 60 HA THR 10 HA THR 10 -11.128 1.161 1.103 61 HB THR 10 HB THR 10 -13.047 -0.171 3.092 62 HG1 THR 10 HG1 THR 10 -13.088 0.008 0.371 63 1HG2 THR 10 1HG2 THR 10 -13.124 2.543 1.745 64 2HG2 THR 10 2HG2 THR 10 -12.706 2.254 3.435 65 3HG2 THR 10 3HG2 THR 10 -14.338 1.911 2.857 66 H CYS 11 H CYS 11 -10.693 2.536 3.099 67 HA CYS 11 HA CYS 11 -8.867 1.106 4.875 68 1HB CYS 11 1HB CYS 11 -7.813 2.740 3.455 69 2HB CYS 11 2HB CYS 11 -8.961 3.969 3.963 70 H VAL 12 H VAL 12 -8.970 1.426 7.034 71 HA VAL 12 HA VAL 12 -11.386 2.682 8.050 72 HB VAL 12 HB VAL 12 -10.897 1.512 10.195 73 1HG1 VAL 12 1HG1 VAL 12 -11.335 -0.767 9.392 74 2HG1 VAL 12 2HG1 VAL 12 -10.897 -0.262 7.760 75 3HG1 VAL 12 3HG1 VAL 12 -12.312 0.435 8.549 76 1HG2 VAL 12 1HG2 VAL 12 -8.583 0.292 8.676 77 2HG2 VAL 12 2HG2 VAL 12 -9.135 -0.208 10.273 78 3HG2 VAL 12 3HG2 VAL 12 -8.453 1.404 10.037 79 H SER 13 H SER 13 -7.867 2.937 8.331 80 HA SER 13 HA SER 13 -8.121 5.641 9.256 81 1HB SER 13 1HB SER 13 -6.672 3.612 10.947 82 2HB SER 13 2HB SER 13 -6.717 5.353 11.199 83 HG SER 13 HG SER 13 -9.203 4.536 10.992 84 H LEU 14 H LEU 14 -6.332 6.801 8.765 85 HA LEU 14 HA LEU 14 -4.375 5.584 7.006 86 1HB LEU 14 1HB LEU 14 -4.708 8.438 7.929 87 2HB LEU 14 2HB LEU 14 -3.644 7.889 6.663 88 HG LEU 14 HG LEU 14 -6.659 7.763 6.547 89 1HD1 LEU 14 1HD1 LEU 14 -4.707 9.636 5.215 90 2HD1 LEU 14 2HD1 LEU 14 -5.834 10.056 6.506 91 3HD1 LEU 14 3HD1 LEU 14 -6.444 9.571 4.922 92 1HD2 LEU 14 1HD2 LEU 14 -4.539 7.218 4.483 93 2HD2 LEU 14 2HD2 LEU 14 -6.274 7.270 4.192 94 3HD2 LEU 14 3HD2 LEU 14 -5.595 6.023 5.238 95 H THR 15 H THR 15 -2.098 6.422 7.352 96 HA THR 15 HA THR 15 -1.448 7.096 10.068 97 HB THR 15 HB THR 15 -1.102 4.552 9.868 98 HG1 THR 15 HG1 THR 15 0.346 4.943 11.342 99 1HG2 THR 15 1HG2 THR 15 0.893 3.789 8.656 100 2HG2 THR 15 2HG2 THR 15 1.182 5.422 8.097 101 3HG2 THR 15 3HG2 THR 15 -0.246 4.539 7.528 102 H THR 16 H THR 16 0.385 8.284 10.216 103 HA THR 16 HA THR 16 1.636 9.004 7.694 104 HB THR 16 HB THR 16 2.321 11.108 8.936 105 HG1 THR 16 HG1 THR 16 0.255 10.364 10.732 106 1HG2 THR 16 1HG2 THR 16 0.456 11.109 7.347 107 2HG2 THR 16 2HG2 THR 16 0.105 12.176 8.712 108 3HG2 THR 16 3HG2 THR 16 -0.640 10.583 8.623 109 H GLN 17 H GLN 17 1.939 7.075 10.264 110 HA GLN 17 HA GLN 17 4.704 7.526 10.829 111 1HB GLN 17 1HB GLN 17 2.837 5.301 11.645 112 2HB GLN 17 2HB GLN 17 4.496 5.465 12.212 113 1HG GLN 17 1HG GLN 17 2.221 7.372 12.712 114 2HG GLN 17 2HG GLN 17 2.959 6.277 13.879 115 1HE2 GLN 17 1HE2 GLN 17 5.026 6.722 14.631 116 2HE2 GLN 17 2HE2 GLN 17 5.720 8.297 14.497 117 H ARG 18 H ARG 18 6.322 6.472 9.972 118 HA ARG 18 HA ARG 18 5.704 5.400 7.392 119 1HB ARG 18 1HB ARG 18 8.397 5.911 8.595 120 2HB ARG 18 2HB ARG 18 8.036 5.603 6.905 121 1HG ARG 18 1HG ARG 18 6.575 7.653 6.993 122 2HG ARG 18 2HG ARG 18 7.338 8.011 8.540 123 1HD ARG 18 1HD ARG 18 9.551 7.815 7.367 124 2HD ARG 18 2HD ARG 18 8.560 7.628 5.899 125 HE ARG 18 HE ARG 18 7.935 9.987 7.378 126 1HH1 ARG 18 1HH1 ARG 18 10.071 8.719 4.823 127 2HH1 ARG 18 2HH1 ARG 18 10.422 10.250 4.171 128 1HH2 ARG 18 1HH2 ARG 18 8.453 12.099 6.439 129 2HH2 ARG 18 2HH2 ARG 18 9.496 12.174 5.088 130 H LEU 19 H LEU 19 6.460 3.483 6.563 131 HA LEU 19 HA LEU 19 7.416 1.473 8.447 132 1HB LEU 19 1HB LEU 19 5.781 1.125 5.905 133 2HB LEU 19 2HB LEU 19 6.580 -0.198 6.702 134 HG LEU 19 HG LEU 19 5.103 0.240 8.685 135 1HD1 LEU 19 1HD1 LEU 19 3.608 1.960 6.744 136 2HD1 LEU 19 2HD1 LEU 19 4.450 2.531 8.187 137 3HD1 LEU 19 3HD1 LEU 19 3.035 1.479 8.340 138 1HD2 LEU 19 1HD2 LEU 19 3.780 -0.503 6.088 139 2HD2 LEU 19 2HD2 LEU 19 3.169 -0.877 7.700 140 3HD2 LEU 19 3HD2 LEU 19 4.687 -1.578 7.151 141 HA PRO 20 HA PRO 20 11.021 1.345 5.786 142 1HB PRO 20 1HB PRO 20 10.972 -1.584 5.795 143 2HB PRO 20 2HB PRO 20 12.185 -0.498 6.470 144 1HG PRO 20 1HG PRO 20 10.424 -2.018 7.921 145 2HG PRO 20 2HG PRO 20 11.268 -0.587 8.545 146 1HD PRO 20 1HD PRO 20 8.447 -0.946 7.796 147 2HD PRO 20 2HD PRO 20 9.193 0.290 8.825 148 H CYS 21 H CYS 21 11.118 1.354 3.571 149 HA CYS 21 HA CYS 21 8.749 0.721 2.149 150 1HB CYS 21 1HB CYS 21 10.460 2.579 1.603 151 2HB CYS 21 2HB CYS 21 11.413 1.302 0.847 152 H SER 22 H SER 22 11.512 -1.052 2.967 153 HA SER 22 HA SER 22 11.453 -2.982 0.896 154 1HB SER 22 1HB SER 22 13.478 -2.535 2.239 155 2HB SER 22 2HB SER 22 12.652 -3.115 3.681 156 HG SER 22 HG SER 22 12.849 -4.736 1.413 157 H ARG 23 H ARG 23 9.379 -2.402 3.573 158 HA ARG 23 HA ARG 23 8.649 -5.202 3.696 159 1HB ARG 23 1HB ARG 23 7.781 -2.919 5.456 160 2HB ARG 23 2HB ARG 23 7.176 -4.565 5.609 161 1HG ARG 23 1HG ARG 23 9.499 -5.324 5.978 162 2HG ARG 23 2HG ARG 23 10.010 -3.637 5.951 163 1HD ARG 23 1HD ARG 23 8.517 -3.187 7.858 164 2HD ARG 23 2HD ARG 23 8.072 -4.891 7.892 165 HE ARG 23 HE ARG 23 10.887 -4.419 8.033 166 1HH1 ARG 23 1HH1 ARG 23 7.919 -4.773 9.972 167 2HH1 ARG 23 2HH1 ARG 23 8.775 -5.145 11.405 168 1HH2 ARG 23 1HH2 ARG 23 12.012 -4.926 10.056 169 2HH2 ARG 23 2HH2 ARG 23 11.076 -5.175 11.459 170 H ILE 24 H ILE 24 7.916 -2.835 1.734 171 HA ILE 24 HA ILE 24 5.039 -3.032 1.656 172 HB ILE 24 HB ILE 24 6.995 -1.904 -0.392 173 1HG1 ILE 24 1HG1 ILE 24 6.929 -0.675 1.810 174 2HG1 ILE 24 2HG1 ILE 24 6.455 0.297 0.425 175 1HG2 ILE 24 1HG2 ILE 24 4.010 -1.645 -0.262 176 2HG2 ILE 24 2HG2 ILE 24 4.913 -2.619 -1.398 177 3HG2 ILE 24 3HG2 ILE 24 5.058 -0.846 -1.450 178 1HD1 ILE 24 1HD1 ILE 24 5.052 0.718 2.379 179 2HD1 ILE 24 2HD1 ILE 24 4.534 -0.975 2.393 180 3HD1 ILE 24 3HD1 ILE 24 4.148 0.077 1.020 181 H LYS 25 H LYS 25 3.868 -4.457 0.429 182 HA LYS 25 HA LYS 25 5.312 -6.260 -1.423 183 1HB LYS 25 1HB LYS 25 4.014 -7.280 0.408 184 2HB LYS 25 2HB LYS 25 2.561 -6.527 -0.238 185 1HG LYS 25 1HG LYS 25 3.111 -7.667 -2.445 186 2HG LYS 25 2HG LYS 25 4.259 -8.638 -1.532 187 1HD LYS 25 1HD LYS 25 1.333 -8.407 -1.006 188 2HD LYS 25 2HD LYS 25 2.119 -9.722 -1.894 189 1HE LYS 25 1HE LYS 25 3.392 -10.254 0.173 190 2HE LYS 25 2HE LYS 25 2.475 -9.011 1.025 191 1HZ LYS 25 1HZ LYS 25 1.494 -11.216 1.393 192 2HZ LYS 25 2HZ LYS 25 1.352 -11.432 -0.264 193 3HZ LYS 25 3HZ LYS 25 0.414 -10.271 0.486 194 H THR 26 H THR 26 2.083 -4.839 -1.064 195 HA THR 26 HA THR 26 2.160 -3.771 -3.745 196 HB THR 26 HB THR 26 1.231 -6.051 -4.071 197 HG1 THR 26 HG1 THR 26 0.119 -4.914 -5.467 198 1HG2 THR 26 1HG2 THR 26 0.402 -6.470 -1.818 199 2HG2 THR 26 2HG2 THR 26 -0.885 -6.713 -3.001 200 3HG2 THR 26 3HG2 THR 26 -0.842 -5.241 -2.032 201 H TYR 27 H TYR 27 0.118 -2.423 -4.033 202 HA TYR 27 HA TYR 27 -0.899 -1.467 -1.473 203 1HB TYR 27 1HB TYR 27 -0.581 0.872 -2.119 204 2HB TYR 27 2HB TYR 27 0.962 0.090 -2.186 205 HD1 TYR 27 HD1 TYR 27 2.158 -0.119 -4.245 206 HD2 TYR 27 HD2 TYR 27 -1.791 1.390 -4.146 207 HE1 TYR 27 HE1 TYR 27 2.388 0.685 -6.596 208 HE2 TYR 27 HE2 TYR 27 -1.611 2.173 -6.397 209 HH TYR 27 HH TYR 27 0.879 1.213 -8.497 210 H THR 28 H THR 28 -2.792 -0.120 -1.796 211 HA THR 28 HA THR 28 -4.251 -0.513 -4.294 212 HB THR 28 HB THR 28 -5.357 -0.938 -1.542 213 HG1 THR 28 HG1 THR 28 -4.499 -2.854 -1.823 214 1HG2 THR 28 1HG2 THR 28 -7.378 -1.764 -2.733 215 2HG2 THR 28 2HG2 THR 28 -6.612 -1.333 -4.264 216 3HG2 THR 28 3HG2 THR 28 -7.018 -0.075 -3.098 217 H ILE 29 H ILE 29 -4.748 1.514 -4.879 218 HA ILE 29 HA ILE 29 -5.046 3.538 -2.804 219 HB ILE 29 HB ILE 29 -4.937 3.894 -5.824 220 1HG1 ILE 29 1HG1 ILE 29 -2.873 4.502 -3.672 221 2HG1 ILE 29 2HG1 ILE 29 -2.776 3.220 -4.859 222 1HG2 ILE 29 1HG2 ILE 29 -6.303 5.644 -4.780 223 2HG2 ILE 29 2HG2 ILE 29 -4.775 6.311 -5.357 224 3HG2 ILE 29 3HG2 ILE 29 -5.004 5.993 -3.637 225 1HD1 ILE 29 1HD1 ILE 29 -2.770 6.160 -5.411 226 2HD1 ILE 29 2HD1 ILE 29 -2.647 4.883 -6.633 227 3HD1 ILE 29 3HD1 ILE 29 -1.370 5.089 -5.421 228 H THR 30 H THR 30 -6.935 4.416 -2.262 229 HA THR 30 HA THR 30 -9.240 3.479 -3.754 230 HB THR 30 HB THR 30 -10.458 3.540 -1.532 231 HG1 THR 30 HG1 THR 30 -7.772 3.812 -0.614 232 1HG2 THR 30 1HG2 THR 30 -9.603 1.348 -0.787 233 2HG2 THR 30 2HG2 THR 30 -8.166 1.578 -1.777 234 3HG2 THR 30 3HG2 THR 30 -9.744 1.415 -2.543 235 H GLU 31 H GLU 31 -10.612 5.000 -4.369 236 HA GLU 31 HA GLU 31 -10.338 7.643 -3.177 237 1HB GLU 31 1HB GLU 31 -10.619 7.054 -6.127 238 2HB GLU 31 2HB GLU 31 -10.714 8.649 -5.399 239 1HG GLU 31 1HG GLU 31 -8.379 8.400 -4.627 240 2HG GLU 31 2HG GLU 31 -8.311 6.839 -5.434 241 H GLY 32 H GLY 32 -12.146 8.629 -2.750 242 1HA GLY 32 1HA GLY 32 -14.614 8.644 -3.687 243 2HA GLY 32 2HA GLY 32 -14.581 7.071 -2.883 244 H SER 33 H SER 33 -13.952 10.491 -2.394 245 HA SER 33 HA SER 33 -14.169 11.879 -0.711 246 1HB SER 33 1HB SER 33 -15.721 9.664 0.660 247 2HB SER 33 2HB SER 33 -15.614 11.327 1.250 248 HG SER 33 HG SER 33 -16.954 11.949 -0.195 249 H LEU 34 H LEU 34 -13.265 8.687 0.504 250 HA LEU 34 HA LEU 34 -11.149 10.023 2.051 251 1HB LEU 34 1HB LEU 34 -12.839 8.535 3.289 252 2HB LEU 34 2HB LEU 34 -12.190 7.183 2.395 253 HG LEU 34 HG LEU 34 -10.714 8.854 4.396 254 1HD1 LEU 34 1HD1 LEU 34 -12.416 7.522 5.454 255 2HD1 LEU 34 2HD1 LEU 34 -10.830 6.847 5.828 256 3HD1 LEU 34 3HD1 LEU 34 -11.852 6.075 4.618 257 1HD2 LEU 34 1HD2 LEU 34 -9.851 6.296 3.037 258 2HD2 LEU 34 2HD2 LEU 34 -8.979 7.096 4.339 259 3HD2 LEU 34 3HD2 LEU 34 -9.155 7.896 2.774 260 H ARG 35 H ARG 35 -9.335 10.035 0.909 261 HA ARG 35 HA ARG 35 -8.790 7.878 -0.965 262 1HB ARG 35 1HB ARG 35 -7.545 10.607 -0.655 263 2HB ARG 35 2HB ARG 35 -6.968 9.384 -1.784 264 1HG ARG 35 1HG ARG 35 -9.056 9.380 -2.917 265 2HG ARG 35 2HG ARG 35 -9.741 10.539 -1.778 266 1HD ARG 35 1HD ARG 35 -8.048 12.195 -2.482 267 2HD ARG 35 2HD ARG 35 -7.406 11.030 -3.638 268 HE ARG 35 HE ARG 35 -9.985 11.160 -4.326 269 1HH1 ARG 35 1HH1 ARG 35 -7.556 13.696 -3.859 270 2HH1 ARG 35 2HH1 ARG 35 -8.296 14.794 -4.923 271 1HH2 ARG 35 1HH2 ARG 35 -10.952 12.627 -5.818 272 2HH2 ARG 35 2HH2 ARG 35 -10.267 14.172 -6.084 273 H ALA 36 H ALA 36 -7.637 6.325 -0.323 274 HA ALA 36 HA ALA 36 -5.406 6.797 1.512 275 1HB ALA 36 1HB ALA 36 -6.055 4.867 2.822 276 2HB ALA 36 2HB ALA 36 -7.490 4.663 1.822 277 3HB ALA 36 3HB ALA 36 -7.328 6.090 2.839 278 H VAL 37 H VAL 37 -3.664 5.451 1.103 279 HA VAL 37 HA VAL 37 -4.117 3.472 -0.937 280 HB VAL 37 HB VAL 37 -2.485 5.116 -1.650 281 1HG1 VAL 37 1HG1 VAL 37 -0.406 5.465 -0.463 282 2HG1 VAL 37 2HG1 VAL 37 -1.015 4.476 0.871 283 3HG1 VAL 37 3HG1 VAL 37 -1.807 5.999 0.465 284 1HG2 VAL 37 1HG2 VAL 37 -2.067 2.829 -2.318 285 2HG2 VAL 37 2HG2 VAL 37 -1.153 2.552 -0.836 286 3HG2 VAL 37 3HG2 VAL 37 -0.543 3.678 -2.047 287 H ILE 38 H ILE 38 -4.168 1.539 -0.253 288 HA ILE 38 HA ILE 38 -3.394 0.930 2.492 289 HB ILE 38 HB ILE 38 -5.092 -0.706 0.576 290 1HG1 ILE 38 1HG1 ILE 38 -5.969 1.312 2.643 291 2HG1 ILE 38 2HG1 ILE 38 -6.017 1.554 0.902 292 1HG2 ILE 38 1HG2 ILE 38 -5.986 -1.701 2.629 293 2HG2 ILE 38 2HG2 ILE 38 -4.942 -0.694 3.596 294 3HG2 ILE 38 3HG2 ILE 38 -4.235 -1.958 2.566 295 1HD1 ILE 38 1HD1 ILE 38 -7.512 -0.498 2.460 296 2HD1 ILE 38 2HD1 ILE 38 -7.589 -0.289 0.704 297 3HD1 ILE 38 3HD1 ILE 38 -8.183 0.985 1.784 298 H PHE 39 H PHE 39 -1.527 -0.039 2.752 299 HA PHE 39 HA PHE 39 -0.284 -1.424 0.508 300 1HB PHE 39 1HB PHE 39 0.884 -0.249 3.015 301 2HB PHE 39 2HB PHE 39 1.789 -1.295 1.933 302 HD1 PHE 39 HD1 PHE 39 0.428 2.006 2.467 303 HD2 PHE 39 HD2 PHE 39 2.305 -0.585 -0.306 304 HE1 PHE 39 HE1 PHE 39 1.020 3.922 1.079 305 HE2 PHE 39 HE2 PHE 39 2.910 1.326 -1.711 306 HZ PHE 39 HZ PHE 39 2.270 3.557 -1.049 307 H ILE 40 H ILE 40 0.030 -3.455 0.562 308 HA ILE 40 HA ILE 40 -0.636 -4.860 3.025 309 HB ILE 40 HB ILE 40 -0.004 -6.122 0.337 310 1HG1 ILE 40 1HG1 ILE 40 -1.873 -4.582 -0.027 311 2HG1 ILE 40 2HG1 ILE 40 -2.420 -6.241 -0.105 312 1HG2 ILE 40 1HG2 ILE 40 -1.326 -7.990 1.281 313 2HG2 ILE 40 2HG2 ILE 40 -1.564 -7.015 2.741 314 3HG2 ILE 40 3HG2 ILE 40 0.054 -7.567 2.317 315 1HD1 ILE 40 1HD1 ILE 40 -3.332 -6.048 2.175 316 2HD1 ILE 40 2HD1 ILE 40 -4.028 -4.829 1.106 317 3HD1 ILE 40 3HD1 ILE 40 -2.772 -4.380 2.258 318 H THR 41 H THR 41 1.000 -5.599 4.198 319 HA THR 41 HA THR 41 3.660 -5.025 3.249 320 HB THR 41 HB THR 41 2.958 -4.481 5.609 321 HG1 THR 41 HG1 THR 41 5.157 -4.872 4.989 322 1HG2 THR 41 1HG2 THR 41 2.863 -6.295 7.271 323 2HG2 THR 41 2HG2 THR 41 3.038 -7.478 5.974 324 3HG2 THR 41 3HG2 THR 41 1.598 -6.463 6.052 325 H LYS 42 H LYS 42 5.403 -6.821 3.772 326 HA LYS 42 HA LYS 42 4.848 -8.896 1.931 327 1HB LYS 42 1HB LYS 42 7.166 -8.696 3.840 328 2HB LYS 42 2HB LYS 42 7.062 -9.797 2.473 329 1HG LYS 42 1HG LYS 42 6.887 -7.826 0.978 330 2HG LYS 42 2HG LYS 42 7.165 -6.795 2.380 331 1HD LYS 42 1HD LYS 42 9.053 -8.886 1.285 332 2HD LYS 42 2HD LYS 42 9.225 -7.141 1.149 333 1HE LYS 42 1HE LYS 42 9.385 -7.018 3.626 334 2HE LYS 42 2HE LYS 42 9.314 -8.778 3.673 335 1HZ LYS 42 1HZ LYS 42 11.327 -8.872 2.371 336 2HZ LYS 42 2HZ LYS 42 11.609 -7.957 3.746 337 3HZ LYS 42 3HZ LYS 42 11.368 -7.202 2.257 338 H ARG 43 H ARG 43 4.476 -8.753 5.300 339 HA ARG 43 HA ARG 43 4.384 -11.568 5.742 340 1HB ARG 43 1HB ARG 43 4.843 -9.989 7.555 341 2HB ARG 43 2HB ARG 43 3.242 -9.290 7.368 342 1HG ARG 43 1HG ARG 43 2.250 -11.433 7.990 343 2HG ARG 43 2HG ARG 43 3.867 -12.097 8.214 344 1HD ARG 43 1HD ARG 43 4.312 -10.482 9.941 345 2HD ARG 43 2HD ARG 43 2.720 -9.757 9.708 346 HE ARG 43 HE ARG 43 2.251 -12.391 10.160 347 1HH1 ARG 43 1HH1 ARG 43 3.923 -9.835 11.974 348 2HH1 ARG 43 2HH1 ARG 43 3.502 -10.424 13.496 349 1HH2 ARG 43 1HH2 ARG 43 1.657 -13.221 12.269 350 2HH2 ARG 43 2HH2 ARG 43 2.185 -12.419 13.673 351 H GLY 44 H GLY 44 2.218 -9.348 4.315 352 1HA GLY 44 1HA GLY 44 0.293 -10.072 3.158 353 2HA GLY 44 2HA GLY 44 0.161 -11.426 4.272 354 H LEU 45 H LEU 45 0.824 -8.613 5.926 355 HA LEU 45 HA LEU 45 -1.950 -8.410 6.799 356 1HB LEU 45 1HB LEU 45 0.504 -7.016 7.828 357 2HB LEU 45 2HB LEU 45 -1.100 -6.923 8.525 358 HG LEU 45 HG LEU 45 0.620 -9.352 8.340 359 1HD1 LEU 45 1HD1 LEU 45 1.395 -7.746 9.982 360 2HD1 LEU 45 2HD1 LEU 45 0.671 -9.140 10.812 361 3HD1 LEU 45 3HD1 LEU 45 -0.238 -7.630 10.638 362 1HD2 LEU 45 1HD2 LEU 45 -1.712 -9.987 8.172 363 2HD2 LEU 45 2HD2 LEU 45 -2.112 -8.998 9.573 364 3HD2 LEU 45 3HD2 LEU 45 -1.098 -10.429 9.766 365 H LYS 46 H LYS 46 -3.020 -6.559 6.843 366 HA LYS 46 HA LYS 46 -2.357 -4.881 4.546 367 1HB LYS 46 1HB LYS 46 -4.781 -4.442 4.385 368 2HB LYS 46 2HB LYS 46 -4.399 -6.156 4.313 369 1HG LYS 46 1HG LYS 46 -4.850 -6.007 6.891 370 2HG LYS 46 2HG LYS 46 -5.770 -4.584 6.396 371 1HD LYS 46 1HD LYS 46 -6.143 -7.383 5.357 372 2HD LYS 46 2HD LYS 46 -7.216 -6.572 6.491 373 1HE LYS 46 1HE LYS 46 -7.701 -4.867 4.745 374 2HE LYS 46 2HE LYS 46 -6.663 -5.762 3.637 375 1HZ LYS 46 1HZ LYS 46 -9.001 -6.335 3.277 376 2HZ LYS 46 2HZ LYS 46 -9.159 -6.802 4.878 377 3HZ LYS 46 3HZ LYS 46 -8.158 -7.671 3.848 378 H VAL 47 H VAL 47 -1.704 -2.973 4.839 379 HA VAL 47 HA VAL 47 -2.228 -1.571 7.366 380 HB VAL 47 HB VAL 47 0.188 -1.367 5.525 381 1HG1 VAL 47 1HG1 VAL 47 -0.269 -0.051 8.199 382 2HG1 VAL 47 2HG1 VAL 47 -0.244 0.753 6.633 383 3HG1 VAL 47 3HG1 VAL 47 1.222 0.012 7.263 384 1HG2 VAL 47 1HG2 VAL 47 1.455 -2.429 7.349 385 2HG2 VAL 47 2HG2 VAL 47 0.182 -3.478 6.723 386 3HG2 VAL 47 3HG2 VAL 47 -0.046 -2.638 8.254 387 H CYS 48 H CYS 48 -2.687 0.722 7.138 388 HA CYS 48 HA CYS 48 -3.191 1.511 4.360 389 1HB CYS 48 1HB CYS 48 -5.308 1.116 5.544 390 2HB CYS 48 2HB CYS 48 -4.805 2.260 6.788 391 H ALA 49 H ALA 49 -2.453 3.496 3.761 392 HA ALA 49 HA ALA 49 -1.154 5.143 5.786 393 1HB ALA 49 1HB ALA 49 0.515 3.634 4.836 394 2HB ALA 49 2HB ALA 49 0.821 5.313 4.370 395 3HB ALA 49 3HB ALA 49 0.088 4.192 3.221 396 H ASP 50 H ASP 50 -0.815 7.300 5.168 397 HA ASP 50 HA ASP 50 -2.886 8.358 3.503 398 1HB ASP 50 1HB ASP 50 -2.258 9.563 5.522 399 2HB ASP 50 2HB ASP 50 -0.593 9.660 4.979 400 HA PRO 51 HA PRO 51 -0.444 7.999 -0.239 401 1HB PRO 51 1HB PRO 51 -2.161 9.358 -1.859 402 2HB PRO 51 2HB PRO 51 -2.421 7.683 -1.354 403 1HG PRO 51 1HG PRO 51 -3.595 10.204 -0.243 404 2HG PRO 51 2HG PRO 51 -4.392 8.661 -0.593 405 1HD PRO 51 1HD PRO 51 -3.674 9.351 1.896 406 2HD PRO 51 2HD PRO 51 -3.595 7.665 1.340 407 H GLN 52 H GLN 52 -1.068 10.810 1.461 408 HA GLN 52 HA GLN 52 0.103 12.590 -0.500 409 1HB GLN 52 1HB GLN 52 -1.018 13.131 2.240 410 2HB GLN 52 2HB GLN 52 -0.614 14.339 1.024 411 1HG GLN 52 1HG GLN 52 -2.352 13.458 -0.446 412 2HG GLN 52 2HG GLN 52 -2.735 12.219 0.742 413 1HE2 GLN 52 1HE2 GLN 52 -3.774 12.829 2.654 414 2HE2 GLN 52 2HE2 GLN 52 -4.631 14.323 2.773 415 H ALA 53 H ALA 53 1.006 10.646 2.125 416 HA ALA 53 HA ALA 53 3.226 12.140 3.189 417 1HB ALA 53 1HB ALA 53 2.667 9.183 3.238 418 2HB ALA 53 2HB ALA 53 2.072 10.338 4.429 419 3HB ALA 53 3HB ALA 53 3.805 10.053 4.265 420 H THR 54 H THR 54 5.283 12.160 2.717 421 HA THR 54 HA THR 54 6.001 11.901 0.053 422 HB THR 54 HB THR 54 7.822 11.993 2.465 423 HG1 THR 54 HG1 THR 54 6.215 13.881 1.201 424 1HG2 THR 54 1HG2 THR 54 8.265 12.847 -0.403 425 2HG2 THR 54 2HG2 THR 54 8.974 11.437 0.371 426 3HG2 THR 54 3HG2 THR 54 9.417 13.053 0.920 427 H TRP 55 H TRP 55 6.419 9.791 2.773 428 HA TRP 55 HA TRP 55 8.267 8.031 1.426 429 1HB TRP 55 1HB TRP 55 8.015 6.491 3.337 430 2HB TRP 55 2HB TRP 55 8.251 8.142 3.877 431 HD1 TRP 55 HD1 TRP 55 6.099 9.340 4.889 432 HE1 TRP 55 HE1 TRP 55 4.084 8.394 6.174 433 HE3 TRP 55 HE3 TRP 55 6.545 4.545 3.464 434 HZ2 TRP 55 HZ2 TRP 55 2.874 5.925 6.523 435 HZ3 TRP 55 HZ3 TRP 55 4.897 2.882 4.302 436 HH2 TRP 55 HH2 TRP 55 3.089 3.577 5.805 437 H VAL 56 H VAL 56 4.891 8.196 1.836 438 HA VAL 56 HA VAL 56 4.262 5.672 0.753 439 HB VAL 56 HB VAL 56 2.647 8.186 1.130 440 1HG1 VAL 56 1HG1 VAL 56 1.807 5.466 0.168 441 2HG1 VAL 56 2HG1 VAL 56 1.682 6.989 -0.725 442 3HG1 VAL 56 3HG1 VAL 56 0.709 6.716 0.729 443 1HG2 VAL 56 1HG2 VAL 56 2.642 5.539 2.546 444 2HG2 VAL 56 2HG2 VAL 56 1.585 6.909 2.901 445 3HG2 VAL 56 3HG2 VAL 56 3.328 7.044 3.158 446 H ARG 57 H ARG 57 4.262 8.968 -0.545 447 HA ARG 57 HA ARG 57 3.466 8.347 -3.146 448 1HB ARG 57 1HB ARG 57 5.409 10.520 -2.336 449 2HB ARG 57 2HB ARG 57 4.560 10.430 -3.870 450 1HG ARG 57 1HG ARG 57 2.425 10.606 -2.605 451 2HG ARG 57 2HG ARG 57 3.370 10.885 -1.149 452 1HD ARG 57 1HD ARG 57 4.436 12.808 -2.218 453 2HD ARG 57 2HD ARG 57 3.435 12.567 -3.651 454 HE ARG 57 HE ARG 57 2.511 13.383 -0.990 455 1HH1 ARG 57 1HH1 ARG 57 1.839 13.048 -4.488 456 2HH1 ARG 57 2HH1 ARG 57 0.552 14.150 -4.457 457 1HH2 ARG 57 1HH2 ARG 57 0.712 14.941 -1.025 458 2HH2 ARG 57 2HH2 ARG 57 -0.092 15.256 -2.473 459 H ASP 58 H ASP 58 6.530 8.172 -1.606 460 HA ASP 58 HA ASP 58 8.029 7.608 -3.954 461 1HB ASP 58 1HB ASP 58 9.149 8.552 -2.066 462 2HB ASP 58 2HB ASP 58 8.683 7.197 -1.049 463 H CYS 59 H CYS 59 6.656 5.471 -1.417 464 HA CYS 59 HA CYS 59 7.804 3.168 -2.699 465 1HB CYS 59 1HB CYS 59 5.763 3.307 -0.532 466 2HB CYS 59 2HB CYS 59 6.565 1.865 -1.143 467 H VAL 60 H VAL 60 4.620 4.642 -2.647 468 HA VAL 60 HA VAL 60 3.265 2.538 -3.942 469 HB VAL 60 HB VAL 60 2.308 4.596 -2.727 470 1HG1 VAL 60 1HG1 VAL 60 3.437 6.357 -3.935 471 2HG1 VAL 60 2HG1 VAL 60 1.668 6.499 -4.134 472 3HG1 VAL 60 3HG1 VAL 60 2.653 5.792 -5.422 473 1HG2 VAL 60 1HG2 VAL 60 0.847 3.036 -3.783 474 2HG2 VAL 60 2HG2 VAL 60 1.042 3.845 -5.340 475 3HG2 VAL 60 3HG2 VAL 60 0.249 4.671 -3.992 476 H ARG 61 H ARG 61 5.456 4.956 -4.900 477 HA ARG 61 HA ARG 61 5.011 4.824 -7.731 478 1HB ARG 61 1HB ARG 61 5.681 6.896 -6.758 479 2HB ARG 61 2HB ARG 61 7.039 6.138 -5.949 480 1HG ARG 61 1HG ARG 61 8.051 5.684 -8.013 481 2HG ARG 61 2HG ARG 61 6.689 6.419 -8.885 482 1HD ARG 61 1HD ARG 61 8.546 8.026 -8.709 483 2HD ARG 61 2HD ARG 61 7.159 8.558 -7.758 484 HE ARG 61 HE ARG 61 9.122 7.072 -6.253 485 1HH1 ARG 61 1HH1 ARG 61 8.141 10.257 -7.395 486 2HH1 ARG 61 2HH1 ARG 61 9.018 11.134 -6.240 487 1HH2 ARG 61 1HH2 ARG 61 10.358 8.287 -4.573 488 2HH2 ARG 61 2HH2 ARG 61 10.300 9.985 -4.626 489 H SER 62 H SER 62 7.413 3.761 -5.343 490 HA SER 62 HA SER 62 9.310 2.707 -7.033 491 1HB SER 62 1HB SER 62 9.671 3.066 -4.597 492 2HB SER 62 2HB SER 62 8.568 1.757 -4.241 493 HG SER 62 HG SER 62 11.184 1.698 -5.063 494 H MET 63 H MET 63 6.465 1.132 -5.673 495 HA MET 63 HA MET 63 7.027 -1.394 -6.840 496 1HB MET 63 1HB MET 63 4.516 -0.252 -5.652 497 2HB MET 63 2HB MET 63 4.603 -1.871 -6.338 498 1HG MET 63 1HG MET 63 6.307 -0.838 -4.101 499 2HG MET 63 2HG MET 63 4.895 -1.894 -3.940 500 1HE MET 63 1HE MET 63 7.876 -2.552 -2.836 501 2HE MET 63 2HE MET 63 7.999 -4.266 -3.237 502 3HE MET 63 3HE MET 63 6.499 -3.619 -2.573 503 H ASP 64 H ASP 64 5.403 1.396 -7.941 504 HA ASP 64 HA ASP 64 4.100 0.148 -10.164 505 1HB ASP 64 1HB ASP 64 3.249 2.192 -9.101 506 2HB ASP 64 2HB ASP 64 4.719 3.029 -9.586 507 H ARG 65 H ARG 65 7.180 1.646 -9.609 508 HA ARG 65 HA ARG 65 7.890 1.959 -12.379 509 1HB ARG 65 1HB ARG 65 9.653 2.008 -9.933 510 2HB ARG 65 2HB ARG 65 10.170 2.434 -11.552 511 1HG ARG 65 1HG ARG 65 8.586 4.296 -11.567 512 2HG ARG 65 2HG ARG 65 8.072 3.861 -9.931 513 1HD ARG 65 1HD ARG 65 9.664 5.668 -9.820 514 2HD ARG 65 2HD ARG 65 10.402 4.210 -9.164 515 HE ARG 65 HE ARG 65 10.900 4.829 -11.969 516 1HH1 ARG 65 1HH1 ARG 65 12.178 4.737 -8.651 517 2HH1 ARG 65 2HH1 ARG 65 13.770 5.056 -9.133 518 1HH2 ARG 65 1HH2 ARG 65 13.062 5.249 -12.593 519 2HH2 ARG 65 2HH2 ARG 65 14.317 5.342 -11.436 520 H LYS 66 H LYS 66 8.207 -0.627 -10.080 521 HA LYS 66 HA LYS 66 10.419 -1.952 -11.319 522 1HB LYS 66 1HB LYS 66 10.025 -3.777 -9.839 523 2HB LYS 66 2HB LYS 66 9.700 -2.312 -8.935 524 1HG LYS 66 1HG LYS 66 7.313 -2.635 -9.222 525 2HG LYS 66 2HG LYS 66 7.615 -4.086 -10.180 526 1HD LYS 66 1HD LYS 66 8.829 -5.001 -8.163 527 2HD LYS 66 2HD LYS 66 8.196 -3.624 -7.263 528 1HE LYS 66 1HE LYS 66 6.565 -5.649 -8.750 529 2HE LYS 66 2HE LYS 66 6.817 -5.648 -7.003 530 1HZ LYS 66 1HZ LYS 66 4.683 -4.715 -7.643 531 2HZ LYS 66 2HZ LYS 66 5.393 -3.479 -8.529 532 3HZ LYS 66 3HZ LYS 66 5.617 -3.588 -6.846 533 H SER 67 H SER 67 7.094 -1.839 -12.036 534 HA SER 67 HA SER 67 6.966 -4.361 -13.363 535 1HB SER 67 1HB SER 67 5.044 -2.028 -13.334 536 2HB SER 67 2HB SER 67 4.688 -3.659 -13.907 537 HG SER 67 HG SER 67 5.128 -4.418 -11.845 538 H ASN 68 H ASN 68 6.009 -4.296 -15.680 539 HA ASN 68 HA ASN 68 7.949 -2.967 -17.361 540 1HB ASN 68 1HB ASN 68 5.626 -4.758 -18.104 541 2HB ASN 68 2HB ASN 68 6.842 -4.175 -19.229 542 1HD2 ASN 68 1HD2 ASN 68 6.126 -6.873 -18.499 543 2HD2 ASN 68 2HD2 ASN 68 7.544 -7.633 -17.893 544 H THR 69 H THR 69 5.469 -1.707 -15.916 545 HA THR 69 HA THR 69 4.104 -0.416 -18.043 546 HB THR 69 HB THR 69 3.247 0.948 -16.158 547 HG1 THR 69 HG1 THR 69 4.610 0.623 -14.484 548 1HG2 THR 69 1HG2 THR 69 2.021 -0.817 -17.156 549 2HG2 THR 69 2HG2 THR 69 1.739 -0.847 -15.402 550 3HG2 THR 69 3HG2 THR 69 2.841 -2.023 -16.157 551 H ARG 70 H ARG 70 4.750 1.266 -19.068 552 HA ARG 70 HA ARG 70 6.491 3.044 -17.673 553 1HB ARG 70 1HB ARG 70 6.896 2.057 -20.498 554 2HB ARG 70 2HB ARG 70 7.704 3.485 -19.874 555 1HG ARG 70 1HG ARG 70 8.828 2.142 -18.192 556 2HG ARG 70 2HG ARG 70 7.974 0.701 -18.744 557 1HD ARG 70 1HD ARG 70 10.273 0.822 -19.620 558 2HD ARG 70 2HD ARG 70 9.072 0.851 -20.907 559 HE ARG 70 HE ARG 70 9.613 3.484 -20.318 560 1HH1 ARG 70 1HH1 ARG 70 11.585 0.723 -21.394 561 2HH1 ARG 70 2HH1 ARG 70 12.606 1.706 -22.355 562 1HH2 ARG 70 1HH2 ARG 70 11.040 4.768 -21.629 563 2HH2 ARG 70 2HH2 ARG 70 12.304 4.022 -22.484 564 H ASN 71 H ASN 71 6.117 5.215 -18.140 565 HA ASN 71 HA ASN 71 3.842 5.786 -19.919 566 1HB ASN 71 1HB ASN 71 3.235 6.103 -17.546 567 2HB ASN 71 2HB ASN 71 4.635 7.144 -17.330 568 1HD2 ASN 71 1HD2 ASN 71 3.386 8.886 -16.662 569 2HD2 ASN 71 2HD2 ASN 71 2.399 9.788 -17.758 570 H ASN 72 H ASN 72 4.061 7.602 -21.234 571 HA ASN 72 HA ASN 72 6.780 8.443 -21.642 572 1HB ASN 72 1HB ASN 72 5.350 8.041 -23.618 573 2HB ASN 72 2HB ASN 72 4.262 9.320 -23.092 574 1HD2 ASN 72 1HD2 ASN 72 7.405 8.602 -24.424 575 2HD2 ASN 72 2HD2 ASN 72 7.749 10.206 -24.951 576 H MET 73 H MET 73 7.515 9.732 -20.212 577 HA MET 73 HA MET 73 5.810 11.839 -19.139 578 1HB MET 73 1HB MET 73 8.405 10.708 -18.097 579 2HB MET 73 2HB MET 73 7.501 12.013 -17.347 580 1HG MET 73 1HG MET 73 5.623 10.505 -16.962 581 2HG MET 73 2HG MET 73 6.499 9.203 -17.754 582 1HE MET 73 1HE MET 73 6.429 11.648 -14.678 583 2HE MET 73 2HE MET 73 8.055 11.920 -15.316 584 3HE MET 73 3HE MET 73 7.840 11.125 -13.763 585 H ILE 74 H ILE 74 6.027 13.706 -20.118 586 HA ILE 74 HA ILE 74 8.447 14.428 -21.487 587 HB ILE 74 HB ILE 74 5.987 16.125 -20.903 588 1HG1 ILE 74 1HG1 ILE 74 5.402 14.182 -22.272 589 2HG1 ILE 74 2HG1 ILE 74 5.322 15.651 -23.233 590 1HG2 ILE 74 1HG2 ILE 74 7.950 17.492 -21.388 591 2HG2 ILE 74 2HG2 ILE 74 6.790 17.584 -22.714 592 3HG2 ILE 74 3HG2 ILE 74 8.234 16.581 -22.873 593 1HD1 ILE 74 1HD1 ILE 74 6.307 13.833 -24.498 594 2HD1 ILE 74 2HD1 ILE 74 7.545 13.614 -23.268 595 3HD1 ILE 74 3HD1 ILE 74 7.503 15.100 -24.221 596 H GLN 75 H GLN 75 10.055 14.623 -20.105 597 HA GLN 75 HA GLN 75 10.107 16.809 -18.255 598 1HB GLN 75 1HB GLN 75 9.057 14.989 -16.920 599 2HB GLN 75 2HB GLN 75 10.418 13.948 -17.289 600 1HG GLN 75 1HG GLN 75 11.897 15.534 -16.096 601 2HG GLN 75 2HG GLN 75 10.470 16.478 -15.666 602 1HE2 GLN 75 1HE2 GLN 75 12.200 13.533 -15.160 603 2HE2 GLN 75 2HE2 GLN 75 11.370 13.026 -13.742 Start of MODEL 18 1 1H GLY 2 1H GLY 2 -14.294 -11.565 10.552 2 1HA GLY 2 1HA GLY 2 -16.432 -11.741 12.465 3 2HA GLY 2 2HA GLY 2 -15.150 -10.597 12.878 4 H SER 3 H SER 3 -17.974 -11.046 11.132 5 HA SER 3 HA SER 3 -19.125 -9.896 9.590 6 1HB SER 3 1HB SER 3 -17.101 -7.676 10.074 7 2HB SER 3 2HB SER 3 -18.623 -7.485 9.214 8 HG SER 3 HG SER 3 -19.000 -8.613 11.637 9 H GLU 4 H GLU 4 -18.961 -10.943 7.756 10 HA GLU 4 HA GLU 4 -18.355 -11.622 5.742 11 1HB GLU 4 1HB GLU 4 -16.451 -9.263 5.814 12 2HB GLU 4 2HB GLU 4 -16.539 -10.349 4.441 13 1HG GLU 4 1HG GLU 4 -17.819 -8.318 4.029 14 2HG GLU 4 2HG GLU 4 -18.872 -9.722 4.080 15 H VAL 5 H VAL 5 -16.213 -12.415 4.468 16 HA VAL 5 HA VAL 5 -14.974 -14.119 6.498 17 HB VAL 5 HB VAL 5 -14.871 -14.431 3.485 18 1HG1 VAL 5 1HG1 VAL 5 -14.121 -16.715 3.956 19 2HG1 VAL 5 2HG1 VAL 5 -14.098 -16.349 5.680 20 3HG1 VAL 5 3HG1 VAL 5 -12.998 -15.512 4.586 21 1HG2 VAL 5 1HG2 VAL 5 -16.523 -16.220 3.797 22 2HG2 VAL 5 2HG2 VAL 5 -17.143 -14.651 4.317 23 3HG2 VAL 5 3HG2 VAL 5 -16.605 -15.824 5.515 24 H SER 6 H SER 6 -13.804 -12.683 3.481 25 HA SER 6 HA SER 6 -11.134 -12.590 4.563 26 1HB SER 6 1HB SER 6 -12.202 -11.732 1.871 27 2HB SER 6 2HB SER 6 -10.500 -11.906 2.312 28 HG SER 6 HG SER 6 -11.386 -14.126 2.997 29 H ASP 7 H ASP 7 -13.766 -10.458 3.973 30 HA ASP 7 HA ASP 7 -14.237 -8.372 4.691 31 1HB ASP 7 1HB ASP 7 -13.254 -9.125 6.831 32 2HB ASP 7 2HB ASP 7 -11.667 -8.632 6.264 33 H LYS 8 H LYS 8 -14.209 -6.783 3.333 34 HA LYS 8 HA LYS 8 -12.173 -6.312 1.400 35 1HB LYS 8 1HB LYS 8 -14.494 -4.573 2.212 36 2HB LYS 8 2HB LYS 8 -13.524 -4.387 0.763 37 1HG LYS 8 1HG LYS 8 -14.301 -6.502 -0.072 38 2HG LYS 8 2HG LYS 8 -15.210 -6.789 1.412 39 1HD LYS 8 1HD LYS 8 -16.707 -5.953 -0.339 40 2HD LYS 8 2HD LYS 8 -16.525 -4.812 1.004 41 1HE LYS 8 1HE LYS 8 -16.489 -3.718 -1.233 42 2HE LYS 8 2HE LYS 8 -15.044 -3.416 -0.280 43 1HZ LYS 8 1HZ LYS 8 -14.528 -3.908 -2.576 44 2HZ LYS 8 2HZ LYS 8 -15.288 -5.398 -2.495 45 3HZ LYS 8 3HZ LYS 8 -13.891 -5.112 -1.593 46 H ARG 9 H ARG 9 -13.478 -4.277 3.829 47 HA ARG 9 HA ARG 9 -11.704 -2.096 3.844 48 1HB ARG 9 1HB ARG 9 -12.760 -1.650 6.046 49 2HB ARG 9 2HB ARG 9 -13.925 -2.016 4.769 50 1HG ARG 9 1HG ARG 9 -13.942 -4.362 5.515 51 2HG ARG 9 2HG ARG 9 -12.891 -3.909 6.835 52 1HD ARG 9 1HD ARG 9 -14.618 -2.619 7.835 53 2HD ARG 9 2HD ARG 9 -15.652 -2.801 6.399 54 HE ARG 9 HE ARG 9 -14.658 -5.181 7.719 55 1HH1 ARG 9 1HH1 ARG 9 -17.460 -3.103 7.205 56 2HH1 ARG 9 2HH1 ARG 9 -18.565 -4.395 7.320 57 1HH2 ARG 9 1HH2 ARG 9 -16.089 -6.854 7.804 58 2HH2 ARG 9 2HH2 ARG 9 -17.775 -6.615 7.593 59 H THR 10 H THR 10 -10.902 -1.609 6.372 60 HA THR 10 HA THR 10 -9.744 -3.440 7.986 61 HB THR 10 HB THR 10 -8.293 -4.159 6.102 62 HG1 THR 10 HG1 THR 10 -7.420 -4.206 8.191 63 1HG2 THR 10 1HG2 THR 10 -8.200 -2.065 4.816 64 2HG2 THR 10 2HG2 THR 10 -6.572 -2.635 5.160 65 3HG2 THR 10 3HG2 THR 10 -7.255 -1.310 6.096 66 H CYS 11 H CYS 11 -9.376 -0.363 6.348 67 HA CYS 11 HA CYS 11 -9.184 0.990 8.861 68 1HB CYS 11 1HB CYS 11 -6.853 0.390 8.263 69 2HB CYS 11 2HB CYS 11 -7.084 1.183 6.713 70 H VAL 12 H VAL 12 -9.951 3.098 8.626 71 HA VAL 12 HA VAL 12 -11.172 3.708 6.018 72 HB VAL 12 HB VAL 12 -11.875 4.743 8.791 73 1HG1 VAL 12 1HG1 VAL 12 -13.906 5.634 7.762 74 2HG1 VAL 12 2HG1 VAL 12 -13.331 5.115 6.178 75 3HG1 VAL 12 3HG1 VAL 12 -12.449 6.353 7.077 76 1HG2 VAL 12 1HG2 VAL 12 -12.395 2.395 8.572 77 2HG2 VAL 12 2HG2 VAL 12 -13.268 2.702 7.071 78 3HG2 VAL 12 3HG2 VAL 12 -13.885 3.340 8.597 79 H SER 13 H SER 13 -8.794 4.641 8.250 80 HA SER 13 HA SER 13 -8.582 7.338 7.116 81 1HB SER 13 1HB SER 13 -7.654 6.268 9.775 82 2HB SER 13 2HB SER 13 -7.555 7.950 9.225 83 HG SER 13 HG SER 13 -10.016 6.770 9.058 84 H LEU 14 H LEU 14 -5.982 8.001 7.825 85 HA LEU 14 HA LEU 14 -4.354 6.123 6.386 86 1HB LEU 14 1HB LEU 14 -3.814 8.919 7.371 87 2HB LEU 14 2HB LEU 14 -2.919 8.020 6.173 88 HG LEU 14 HG LEU 14 -4.045 9.623 5.046 89 1HD1 LEU 14 1HD1 LEU 14 -5.608 8.483 3.523 90 2HD1 LEU 14 2HD1 LEU 14 -5.719 7.170 4.688 91 3HD1 LEU 14 3HD1 LEU 14 -4.186 7.499 3.895 92 1HD2 LEU 14 1HD2 LEU 14 -6.646 8.956 6.405 93 2HD2 LEU 14 2HD2 LEU 14 -6.453 10.130 5.093 94 3HD2 LEU 14 3HD2 LEU 14 -5.659 10.401 6.642 95 H THR 15 H THR 15 -1.884 6.638 7.524 96 HA THR 15 HA THR 15 -2.212 6.405 10.405 97 HB THR 15 HB THR 15 -1.882 4.069 9.342 98 HG1 THR 15 HG1 THR 15 -1.231 4.733 11.566 99 1HG2 THR 15 1HG2 THR 15 0.902 5.163 8.863 100 2HG2 THR 15 2HG2 THR 15 -0.257 4.712 7.613 101 3HG2 THR 15 3HG2 THR 15 0.414 3.478 8.674 102 H THR 16 H THR 16 -0.177 6.913 11.574 103 HA THR 16 HA THR 16 1.434 8.787 10.036 104 HB THR 16 HB THR 16 2.146 9.654 12.258 105 HG1 THR 16 HG1 THR 16 1.842 8.303 13.797 106 1HG2 THR 16 1HG2 THR 16 0.262 10.704 11.089 107 2HG2 THR 16 2HG2 THR 16 0.002 10.724 12.835 108 3HG2 THR 16 3HG2 THR 16 -0.842 9.546 11.829 109 H GLN 17 H GLN 17 1.605 5.622 10.840 110 HA GLN 17 HA GLN 17 4.442 5.704 11.505 111 1HB GLN 17 1HB GLN 17 4.307 3.292 11.893 112 2HB GLN 17 2HB GLN 17 3.070 4.125 12.818 113 1HG GLN 17 1HG GLN 17 1.393 3.465 11.186 114 2HG GLN 17 2HG GLN 17 2.633 2.671 10.219 115 1HE2 GLN 17 1HE2 GLN 17 3.522 0.733 10.953 116 2HE2 GLN 17 2HE2 GLN 17 2.781 -0.189 12.201 117 H ARG 18 H ARG 18 5.998 4.902 10.203 118 HA ARG 18 HA ARG 18 5.236 4.675 7.396 119 1HB ARG 18 1HB ARG 18 7.920 5.131 8.666 120 2HB ARG 18 2HB ARG 18 7.539 5.167 6.948 121 1HG ARG 18 1HG ARG 18 5.957 7.034 7.425 122 2HG ARG 18 2HG ARG 18 6.607 7.066 9.070 123 1HD ARG 18 1HD ARG 18 8.146 7.270 6.570 124 2HD ARG 18 2HD ARG 18 7.661 8.685 7.526 125 HE ARG 18 HE ARG 18 9.005 7.099 9.294 126 1HH1 ARG 18 1HH1 ARG 18 9.852 8.539 6.182 127 2HH1 ARG 18 2HH1 ARG 18 11.524 8.552 6.477 128 1HH2 ARG 18 1HH2 ARG 18 11.312 7.151 9.721 129 2HH2 ARG 18 2HH2 ARG 18 12.374 7.785 8.534 130 H LEU 19 H LEU 19 6.303 2.867 6.167 131 HA LEU 19 HA LEU 19 7.608 0.941 7.870 132 1HB LEU 19 1HB LEU 19 6.665 -0.978 6.636 133 2HB LEU 19 2HB LEU 19 5.455 0.029 7.474 134 HG LEU 19 HG LEU 19 5.756 0.494 4.583 135 1HD1 LEU 19 1HD1 LEU 19 4.573 -2.024 5.812 136 2HD1 LEU 19 2HD1 LEU 19 6.002 -1.987 4.778 137 3HD1 LEU 19 3HD1 LEU 19 4.419 -1.557 4.121 138 1HD2 LEU 19 1HD2 LEU 19 3.437 -0.072 6.418 139 2HD2 LEU 19 2HD2 LEU 19 3.349 0.602 4.784 140 3HD2 LEU 19 3HD2 LEU 19 4.086 1.526 6.096 141 HA PRO 20 HA PRO 20 11.059 0.894 5.188 142 1HB PRO 20 1HB PRO 20 10.812 -2.077 5.174 143 2HB PRO 20 2HB PRO 20 12.206 -1.079 5.587 144 1HG PRO 20 1HG PRO 20 10.774 -2.325 7.453 145 2HG PRO 20 2HG PRO 20 11.494 -0.732 7.749 146 1HD PRO 20 1HD PRO 20 8.665 -1.482 7.261 147 2HD PRO 20 2HD PRO 20 9.326 -0.139 8.207 148 H CYS 21 H CYS 21 11.274 0.950 2.986 149 HA CYS 21 HA CYS 21 8.890 0.502 1.519 150 1HB CYS 21 1HB CYS 21 10.763 2.298 1.120 151 2HB CYS 21 2HB CYS 21 11.492 1.031 0.128 152 H SER 22 H SER 22 11.676 -1.417 2.136 153 HA SER 22 HA SER 22 11.262 -3.201 -0.060 154 1HB SER 22 1HB SER 22 12.895 -3.524 2.462 155 2HB SER 22 2HB SER 22 13.000 -4.540 1.019 156 HG SER 22 HG SER 22 13.997 -3.005 -0.042 157 H ARG 23 H ARG 23 9.836 -2.721 3.010 158 HA ARG 23 HA ARG 23 8.856 -5.420 3.241 159 1HB ARG 23 1HB ARG 23 8.587 -2.987 4.975 160 2HB ARG 23 2HB ARG 23 7.536 -4.375 5.210 161 1HG ARG 23 1HG ARG 23 10.546 -4.520 5.256 162 2HG ARG 23 2HG ARG 23 9.530 -4.330 6.690 163 1HD ARG 23 1HD ARG 23 8.401 -6.425 6.207 164 2HD ARG 23 2HD ARG 23 9.326 -6.627 4.729 165 HE ARG 23 HE ARG 23 11.296 -6.572 6.398 166 1HH1 ARG 23 1HH1 ARG 23 8.141 -8.093 7.015 167 2HH1 ARG 23 2HH1 ARG 23 8.779 -9.336 7.977 168 1HH2 ARG 23 1HH2 ARG 23 12.151 -8.289 7.692 169 2HH2 ARG 23 2HH2 ARG 23 11.139 -9.462 8.382 170 H ILE 24 H ILE 24 8.044 -2.725 1.540 171 HA ILE 24 HA ILE 24 5.200 -2.950 1.567 172 HB ILE 24 HB ILE 24 7.044 -1.846 -0.590 173 1HG1 ILE 24 1HG1 ILE 24 7.070 -0.687 1.723 174 2HG1 ILE 24 2HG1 ILE 24 6.742 0.349 0.337 175 1HG2 ILE 24 1HG2 ILE 24 4.920 -2.521 -1.451 176 2HG2 ILE 24 2HG2 ILE 24 5.005 -0.744 -1.465 177 3HG2 ILE 24 3HG2 ILE 24 4.081 -1.607 -0.218 178 1HD1 ILE 24 1HD1 ILE 24 4.390 0.305 0.910 179 2HD1 ILE 24 2HD1 ILE 24 5.357 0.870 2.262 180 3HD1 ILE 24 3HD1 ILE 24 4.712 -0.781 2.261 181 H LYS 25 H LYS 25 4.121 -4.613 0.710 182 HA LYS 25 HA LYS 25 5.477 -6.439 -1.121 183 1HB LYS 25 1HB LYS 25 4.188 -7.048 0.953 184 2HB LYS 25 2HB LYS 25 2.742 -6.580 0.106 185 1HG LYS 25 1HG LYS 25 4.566 -8.815 -0.859 186 2HG LYS 25 2HG LYS 25 3.155 -9.084 0.145 187 1HD LYS 25 1HD LYS 25 1.731 -8.159 -1.646 188 2HD LYS 25 2HD LYS 25 3.166 -7.898 -2.641 189 1HE LYS 25 1HE LYS 25 3.615 -10.294 -2.651 190 2HE LYS 25 2HE LYS 25 2.227 -10.577 -1.603 191 1HZ LYS 25 1HZ LYS 25 2.098 -9.476 -4.370 192 2HZ LYS 25 2HZ LYS 25 0.797 -9.745 -3.344 193 3HZ LYS 25 3HZ LYS 25 1.684 -11.047 -3.905 194 H THR 26 H THR 26 2.521 -4.501 -0.836 195 HA THR 26 HA THR 26 2.594 -3.682 -3.525 196 HB THR 26 HB THR 26 1.629 -5.986 -3.805 197 HG1 THR 26 HG1 THR 26 -0.605 -4.859 -4.599 198 1HG2 THR 26 1HG2 THR 26 -0.641 -4.904 -2.125 199 2HG2 THR 26 2HG2 THR 26 0.454 -6.212 -1.676 200 3HG2 THR 26 3HG2 THR 26 -0.678 -6.428 -3.010 201 H TYR 27 H TYR 27 0.598 -2.279 -3.893 202 HA TYR 27 HA TYR 27 -0.469 -1.346 -1.334 203 1HB TYR 27 1HB TYR 27 -0.243 1.002 -2.004 204 2HB TYR 27 2HB TYR 27 1.328 0.287 -2.136 205 HD1 TYR 27 HD1 TYR 27 2.408 0.052 -4.283 206 HD2 TYR 27 HD2 TYR 27 -1.548 1.527 -3.954 207 HE1 TYR 27 HE1 TYR 27 2.493 0.860 -6.621 208 HE2 TYR 27 HE2 TYR 27 -1.491 2.311 -6.197 209 HH TYR 27 HH TYR 27 0.978 1.328 -8.364 210 H THR 28 H THR 28 -2.467 -0.207 -1.626 211 HA THR 28 HA THR 28 -3.856 -0.655 -4.139 212 HB THR 28 HB THR 28 -4.945 -1.309 -1.418 213 HG1 THR 28 HG1 THR 28 -3.550 -2.771 -3.294 214 1HG2 THR 28 1HG2 THR 28 -6.854 -2.281 -2.663 215 2HG2 THR 28 2HG2 THR 28 -6.103 -1.786 -4.175 216 3HG2 THR 28 3HG2 THR 28 -6.655 -0.564 -3.029 217 H ILE 29 H ILE 29 -4.537 1.309 -4.654 218 HA ILE 29 HA ILE 29 -4.940 3.255 -2.530 219 HB ILE 29 HB ILE 29 -5.064 3.660 -5.543 220 1HG1 ILE 29 1HG1 ILE 29 -2.876 4.441 -3.552 221 2HG1 ILE 29 2HG1 ILE 29 -2.761 3.177 -4.745 222 1HG2 ILE 29 1HG2 ILE 29 -5.079 6.070 -5.041 223 2HG2 ILE 29 2HG2 ILE 29 -5.155 5.704 -3.316 224 3HG2 ILE 29 3HG2 ILE 29 -6.496 5.254 -4.369 225 1HD1 ILE 29 1HD1 ILE 29 -1.594 5.154 -5.443 226 2HD1 ILE 29 2HD1 ILE 29 -3.082 6.096 -5.271 227 3HD1 ILE 29 3HD1 ILE 29 -2.971 4.847 -6.515 228 H THR 30 H THR 30 -6.858 3.759 -1.778 229 HA THR 30 HA THR 30 -9.109 2.537 -3.140 230 HB THR 30 HB THR 30 -10.274 2.671 -0.908 231 HG1 THR 30 HG1 THR 30 -7.638 3.356 -0.044 232 1HG2 THR 30 1HG2 THR 30 -9.147 0.688 0.029 233 2HG2 THR 30 2HG2 THR 30 -7.769 0.979 -1.032 234 3HG2 THR 30 3HG2 THR 30 -9.337 0.558 -1.721 235 H GLU 31 H GLU 31 -10.595 3.815 -3.942 236 HA GLU 31 HA GLU 31 -10.394 6.637 -3.203 237 1HB GLU 31 1HB GLU 31 -11.143 5.489 -5.893 238 2HB GLU 31 2HB GLU 31 -10.889 7.187 -5.495 239 1HG GLU 31 1HG GLU 31 -8.530 6.705 -4.991 240 2HG GLU 31 2HG GLU 31 -8.799 5.026 -5.423 241 H GLY 32 H GLY 32 -12.179 7.571 -2.634 242 1HA GLY 32 1HA GLY 32 -14.784 6.821 -3.421 243 2HA GLY 32 2HA GLY 32 -14.427 6.212 -1.808 244 H SER 33 H SER 33 -14.614 7.520 -0.144 245 HA SER 33 HA SER 33 -15.365 10.281 -0.586 246 1HB SER 33 1HB SER 33 -15.004 8.762 2.004 247 2HB SER 33 2HB SER 33 -15.903 10.261 1.765 248 HG SER 33 HG SER 33 -17.172 8.942 0.204 249 H LEU 34 H LEU 34 -12.689 8.341 0.340 250 HA LEU 34 HA LEU 34 -10.933 10.647 0.509 251 1HB LEU 34 1HB LEU 34 -11.589 10.128 2.839 252 2HB LEU 34 2HB LEU 34 -11.134 8.457 2.577 253 HG LEU 34 HG LEU 34 -8.831 9.162 2.287 254 1HD1 LEU 34 1HD1 LEU 34 -9.844 11.874 3.141 255 2HD1 LEU 34 2HD1 LEU 34 -9.159 11.463 1.570 256 3HD1 LEU 34 3HD1 LEU 34 -8.147 11.421 3.012 257 1HD2 LEU 34 1HD2 LEU 34 -8.416 9.634 4.673 258 2HD2 LEU 34 2HD2 LEU 34 -9.587 8.342 4.416 259 3HD2 LEU 34 3HD2 LEU 34 -10.137 9.956 4.878 260 H ARG 35 H ARG 35 -9.015 10.136 -0.474 261 HA ARG 35 HA ARG 35 -8.760 7.421 -1.472 262 1HB ARG 35 1HB ARG 35 -7.099 9.871 -2.080 263 2HB ARG 35 2HB ARG 35 -6.854 8.291 -2.806 264 1HG ARG 35 1HG ARG 35 -8.998 8.357 -3.790 265 2HG ARG 35 2HG ARG 35 -9.354 9.937 -3.065 266 1HD ARG 35 1HD ARG 35 -8.679 10.357 -5.316 267 2HD ARG 35 2HD ARG 35 -7.314 10.804 -4.294 268 HE ARG 35 HE ARG 35 -7.497 8.262 -5.788 269 1HH1 ARG 35 1HH1 ARG 35 -5.522 10.986 -4.646 270 2HH1 ARG 35 2HH1 ARG 35 -4.131 10.513 -5.499 271 1HH2 ARG 35 1HH2 ARG 35 -5.586 7.617 -6.925 272 2HH2 ARG 35 2HH2 ARG 35 -4.147 8.522 -6.806 273 H ALA 36 H ALA 36 -7.886 6.083 -0.187 274 HA ALA 36 HA ALA 36 -5.561 6.925 1.399 275 1HB ALA 36 1HB ALA 36 -6.190 5.204 3.016 276 2HB ALA 36 2HB ALA 36 -7.617 4.811 2.053 277 3HB ALA 36 3HB ALA 36 -7.478 6.397 2.825 278 H VAL 37 H VAL 37 -3.732 5.778 1.025 279 HA VAL 37 HA VAL 37 -4.070 3.563 -0.769 280 HB VAL 37 HB VAL 37 -2.509 5.207 -1.601 281 1HG1 VAL 37 1HG1 VAL 37 -0.447 5.759 -0.455 282 2HG1 VAL 37 2HG1 VAL 37 -0.989 4.825 0.947 283 3HG1 VAL 37 3HG1 VAL 37 -1.872 6.270 0.454 284 1HG2 VAL 37 1HG2 VAL 37 -1.988 2.894 -2.104 285 2HG2 VAL 37 2HG2 VAL 37 -1.057 2.767 -0.612 286 3HG2 VAL 37 3HG2 VAL 37 -0.507 3.834 -1.908 287 H ILE 38 H ILE 38 -4.091 1.694 -0.054 288 HA ILE 38 HA ILE 38 -3.207 1.155 2.650 289 HB ILE 38 HB ILE 38 -5.007 -0.399 0.763 290 1HG1 ILE 38 1HG1 ILE 38 -5.574 1.086 3.342 291 2HG1 ILE 38 2HG1 ILE 38 -6.026 1.606 1.728 292 1HG2 ILE 38 1HG2 ILE 38 -4.206 -1.123 3.578 293 2HG2 ILE 38 2HG2 ILE 38 -3.747 -1.989 2.108 294 3HG2 ILE 38 3HG2 ILE 38 -5.433 -1.950 2.619 295 1HD1 ILE 38 1HD1 ILE 38 -7.063 -0.837 3.160 296 2HD1 ILE 38 2HD1 ILE 38 -7.549 -0.305 1.547 297 3HD1 ILE 38 3HD1 ILE 38 -7.918 0.689 2.960 298 H PHE 39 H PHE 39 -1.284 0.434 2.858 299 HA PHE 39 HA PHE 39 0.006 -0.991 0.683 300 1HB PHE 39 1HB PHE 39 1.099 0.246 3.187 301 2HB PHE 39 2HB PHE 39 2.044 -0.825 2.159 302 HD1 PHE 39 HD1 PHE 39 0.643 2.461 2.560 303 HD2 PHE 39 HD2 PHE 39 2.546 -0.210 -0.110 304 HE1 PHE 39 HE1 PHE 39 1.195 4.321 1.091 305 HE2 PHE 39 HE2 PHE 39 3.114 1.638 -1.593 306 HZ PHE 39 HZ PHE 39 2.452 3.870 -1.038 307 H ILE 40 H ILE 40 0.368 -3.011 0.725 308 HA ILE 40 HA ILE 40 -0.452 -4.406 3.121 309 HB ILE 40 HB ILE 40 0.284 -5.652 0.459 310 1HG1 ILE 40 1HG1 ILE 40 -1.538 -4.050 0.056 311 2HG1 ILE 40 2HG1 ILE 40 -2.113 -5.698 -0.084 312 1HG2 ILE 40 1HG2 ILE 40 -1.130 -7.476 1.348 313 2HG2 ILE 40 2HG2 ILE 40 -1.381 -6.491 2.804 314 3HG2 ILE 40 3HG2 ILE 40 0.226 -7.100 2.430 315 1HD1 ILE 40 1HD1 ILE 40 -3.736 -4.290 1.090 316 2HD1 ILE 40 2HD1 ILE 40 -2.512 -3.875 2.294 317 3HD1 ILE 40 3HD1 ILE 40 -3.090 -5.531 2.166 318 H THR 41 H THR 41 1.053 -5.083 4.402 319 HA THR 41 HA THR 41 3.804 -4.685 3.698 320 HB THR 41 HB THR 41 3.020 -4.079 5.962 321 HG1 THR 41 HG1 THR 41 4.853 -4.549 6.727 322 1HG2 THR 41 1HG2 THR 41 2.473 -5.846 7.611 323 2HG2 THR 41 2HG2 THR 41 2.532 -7.035 6.298 324 3HG2 THR 41 3HG2 THR 41 1.313 -5.769 6.281 325 H LYS 42 H LYS 42 5.386 -6.427 4.195 326 HA LYS 42 HA LYS 42 4.965 -8.625 2.494 327 1HB LYS 42 1HB LYS 42 7.115 -7.497 2.904 328 2HB LYS 42 2HB LYS 42 7.161 -8.182 4.518 329 1HG LYS 42 1HG LYS 42 7.240 -10.405 3.591 330 2HG LYS 42 2HG LYS 42 7.138 -9.742 1.959 331 1HD LYS 42 1HD LYS 42 9.346 -9.179 3.929 332 2HD LYS 42 2HD LYS 42 9.427 -10.363 2.610 333 1HE LYS 42 1HE LYS 42 9.110 -8.546 0.981 334 2HE LYS 42 2HE LYS 42 9.037 -7.376 2.297 335 1HZ LYS 42 1HZ LYS 42 11.232 -7.444 1.264 336 2HZ LYS 42 2HZ LYS 42 11.385 -9.074 1.644 337 3HZ LYS 42 3HZ LYS 42 11.323 -7.933 2.867 338 H ARG 43 H ARG 43 4.045 -8.229 5.655 339 HA ARG 43 HA ARG 43 4.005 -11.011 6.444 340 1HB ARG 43 1HB ARG 43 4.250 -9.363 8.179 341 2HB ARG 43 2HB ARG 43 2.817 -8.500 7.662 342 1HG ARG 43 1HG ARG 43 2.401 -9.702 9.730 343 2HG ARG 43 2HG ARG 43 1.437 -10.376 8.425 344 1HD ARG 43 1HD ARG 43 3.041 -12.186 8.178 345 2HD ARG 43 2HD ARG 43 3.998 -11.525 9.512 346 HE ARG 43 HE ARG 43 1.630 -11.780 10.656 347 1HH1 ARG 43 1HH1 ARG 43 3.431 -14.097 8.652 348 2HH1 ARG 43 2HH1 ARG 43 2.757 -15.463 9.409 349 1HH2 ARG 43 1HH2 ARG 43 0.695 -13.690 11.666 350 2HH2 ARG 43 2HH2 ARG 43 1.172 -15.232 11.151 351 H GLY 44 H GLY 44 2.069 -9.053 4.416 352 1HA GLY 44 1HA GLY 44 0.303 -9.853 3.124 353 2HA GLY 44 2HA GLY 44 0.056 -11.158 4.275 354 H LEU 45 H LEU 45 0.426 -8.318 5.869 355 HA LEU 45 HA LEU 45 -2.477 -8.046 6.367 356 1HB LEU 45 1HB LEU 45 -0.125 -7.057 7.959 357 2HB LEU 45 2HB LEU 45 -1.816 -6.893 8.392 358 HG LEU 45 HG LEU 45 -0.298 -9.467 8.161 359 1HD1 LEU 45 1HD1 LEU 45 -1.351 -7.964 10.527 360 2HD1 LEU 45 2HD1 LEU 45 0.347 -8.154 10.079 361 3HD1 LEU 45 3HD1 LEU 45 -0.598 -9.562 10.593 362 1HD2 LEU 45 1HD2 LEU 45 -2.294 -10.502 9.140 363 2HD2 LEU 45 2HD2 LEU 45 -2.628 -9.791 7.566 364 3HD2 LEU 45 3HD2 LEU 45 -3.139 -8.959 9.040 365 H LYS 46 H LYS 46 -3.332 -6.104 6.659 366 HA LYS 46 HA LYS 46 -2.578 -4.321 4.500 367 1HB LYS 46 1HB LYS 46 -5.028 -4.599 6.198 368 2HB LYS 46 2HB LYS 46 -4.815 -3.439 4.885 369 1HG LYS 46 1HG LYS 46 -4.827 -5.099 3.276 370 2HG LYS 46 2HG LYS 46 -4.531 -6.376 4.470 371 1HD LYS 46 1HD LYS 46 -6.582 -6.189 5.367 372 2HD LYS 46 2HD LYS 46 -6.988 -4.654 4.564 373 1HE LYS 46 1HE LYS 46 -6.925 -5.904 2.416 374 2HE LYS 46 2HE LYS 46 -6.685 -7.399 3.333 375 1HZ LYS 46 1HZ LYS 46 -9.057 -5.602 3.591 376 2HZ LYS 46 2HZ LYS 46 -8.847 -7.077 4.376 377 3HZ LYS 46 3HZ LYS 46 -9.042 -7.031 2.708 378 H VAL 47 H VAL 47 -1.798 -2.414 4.818 379 HA VAL 47 HA VAL 47 -2.058 -1.082 7.429 380 HB VAL 47 HB VAL 47 0.203 -0.708 5.416 381 1HG1 VAL 47 1HG1 VAL 47 1.355 0.550 7.182 382 2HG1 VAL 47 2HG1 VAL 47 -0.054 0.365 8.221 383 3HG1 VAL 47 3HG1 VAL 47 -0.179 1.293 6.728 384 1HG2 VAL 47 1HG2 VAL 47 1.666 -1.877 7.015 385 2HG2 VAL 47 2HG2 VAL 47 0.371 -2.918 6.424 386 3HG2 VAL 47 3HG2 VAL 47 0.267 -2.216 8.036 387 H CYS 48 H CYS 48 -2.531 1.278 7.265 388 HA CYS 48 HA CYS 48 -3.431 2.030 4.554 389 1HB CYS 48 1HB CYS 48 -5.214 3.352 5.700 390 2HB CYS 48 2HB CYS 48 -5.337 1.613 5.956 391 H ALA 49 H ALA 49 -2.560 3.877 3.763 392 HA ALA 49 HA ALA 49 -1.194 5.639 5.639 393 1HB ALA 49 1HB ALA 49 0.764 5.659 4.241 394 2HB ALA 49 2HB ALA 49 0.006 4.531 3.121 395 3HB ALA 49 3HB ALA 49 0.407 4.015 4.760 396 H ASP 50 H ASP 50 -0.752 7.717 4.869 397 HA ASP 50 HA ASP 50 -2.848 8.776 3.220 398 1HB ASP 50 1HB ASP 50 -2.041 9.975 5.238 399 2HB ASP 50 2HB ASP 50 -0.472 10.146 4.469 400 HA PRO 51 HA PRO 51 -0.688 8.321 -0.577 401 1HB PRO 51 1HB PRO 51 -2.153 10.047 -2.090 402 2HB PRO 51 2HB PRO 51 -2.697 8.427 -1.634 403 1HG PRO 51 1HG PRO 51 -3.349 11.063 -0.382 404 2HG PRO 51 2HG PRO 51 -4.429 9.710 -0.764 405 1HD PRO 51 1HD PRO 51 -3.524 10.136 1.721 406 2HD PRO 51 2HD PRO 51 -3.763 8.495 1.091 407 H GLN 52 H GLN 52 -0.804 11.457 1.036 408 HA GLN 52 HA GLN 52 1.187 12.281 -0.906 409 1HB GLN 52 1HB GLN 52 0.880 14.633 -0.155 410 2HB GLN 52 2HB GLN 52 -0.529 13.924 -0.904 411 1HG GLN 52 1HG GLN 52 -1.546 13.625 1.295 412 2HG GLN 52 2HG GLN 52 -0.097 14.300 2.042 413 1HE2 GLN 52 1HE2 GLN 52 -2.869 15.212 2.054 414 2HE2 GLN 52 2HE2 GLN 52 -2.859 16.831 1.464 415 H ALA 53 H ALA 53 1.235 10.756 1.832 416 HA ALA 53 HA ALA 53 3.383 12.069 3.254 417 1HB ALA 53 1HB ALA 53 2.598 9.158 3.164 418 2HB ALA 53 2HB ALA 53 1.928 10.343 4.283 419 3HB ALA 53 3HB ALA 53 3.638 9.926 4.362 420 H THR 54 H THR 54 5.417 12.127 2.912 421 HA THR 54 HA THR 54 6.443 11.666 0.400 422 HB THR 54 HB THR 54 7.917 11.989 3.021 423 HG1 THR 54 HG1 THR 54 7.371 14.050 2.837 424 1HG2 THR 54 1HG2 THR 54 9.390 11.212 1.178 425 2HG2 THR 54 2HG2 THR 54 9.753 12.873 1.643 426 3HG2 THR 54 3HG2 THR 54 8.831 12.554 0.178 427 H TRP 55 H TRP 55 6.467 9.572 3.216 428 HA TRP 55 HA TRP 55 8.376 7.731 2.058 429 1HB TRP 55 1HB TRP 55 7.890 6.177 3.907 430 2HB TRP 55 2HB TRP 55 8.011 7.804 4.541 431 HD1 TRP 55 HD1 TRP 55 5.667 8.931 5.235 432 HE1 TRP 55 HE1 TRP 55 3.478 7.894 6.136 433 HE3 TRP 55 HE3 TRP 55 6.482 4.079 3.885 434 HZ2 TRP 55 HZ2 TRP 55 2.316 5.389 6.258 435 HZ3 TRP 55 HZ3 TRP 55 4.808 2.470 4.408 436 HH2 TRP 55 HH2 TRP 55 2.771 3.051 5.579 437 H VAL 56 H VAL 56 4.997 8.109 2.000 438 HA VAL 56 HA VAL 56 4.309 5.628 0.763 439 HB VAL 56 HB VAL 56 2.832 8.249 1.059 440 1HG1 VAL 56 1HG1 VAL 56 0.840 7.055 0.338 441 2HG1 VAL 56 2HG1 VAL 56 1.847 5.665 -0.129 442 3HG1 VAL 56 3HG1 VAL 56 2.036 7.210 -0.945 443 1HG2 VAL 56 1HG2 VAL 56 3.186 7.017 3.113 444 2HG2 VAL 56 2HG2 VAL 56 2.487 5.573 2.379 445 3HG2 VAL 56 3HG2 VAL 56 1.487 7.003 2.648 446 H ARG 57 H ARG 57 4.683 8.931 -0.335 447 HA ARG 57 HA ARG 57 4.051 8.504 -3.014 448 1HB ARG 57 1HB ARG 57 5.962 10.527 -1.849 449 2HB ARG 57 2HB ARG 57 5.289 10.602 -3.469 450 1HG ARG 57 1HG ARG 57 3.062 10.766 -2.526 451 2HG ARG 57 2HG ARG 57 3.738 10.725 -0.904 452 1HD ARG 57 1HD ARG 57 3.275 13.033 -1.556 453 2HD ARG 57 2HD ARG 57 5.004 12.776 -1.362 454 HE ARG 57 HE ARG 57 4.283 12.341 -4.036 455 1HH1 ARG 57 1HH1 ARG 57 4.723 15.011 -1.743 456 2HH1 ARG 57 2HH1 ARG 57 5.039 16.152 -2.973 457 1HH2 ARG 57 1HH2 ARG 57 4.753 13.923 -5.671 458 2HH2 ARG 57 2HH2 ARG 57 5.066 15.539 -5.206 459 H ASP 58 H ASP 58 6.959 8.038 -1.269 460 HA ASP 58 HA ASP 58 8.632 7.554 -3.523 461 1HB ASP 58 1HB ASP 58 9.571 8.156 -1.357 462 2HB ASP 58 2HB ASP 58 8.912 6.691 -0.644 463 H CYS 59 H CYS 59 6.814 5.378 -1.317 464 HA CYS 59 HA CYS 59 7.803 3.061 -2.681 465 1HB CYS 59 1HB CYS 59 5.771 3.362 -0.540 466 2HB CYS 59 2HB CYS 59 6.343 1.837 -1.188 467 H VAL 60 H VAL 60 4.699 4.750 -2.568 468 HA VAL 60 HA VAL 60 3.220 2.769 -3.914 469 HB VAL 60 HB VAL 60 2.343 4.886 -2.640 470 1HG1 VAL 60 1HG1 VAL 60 3.522 6.580 -3.857 471 2HG1 VAL 60 2HG1 VAL 60 1.749 6.777 -4.027 472 3HG1 VAL 60 3HG1 VAL 60 2.690 6.032 -5.327 473 1HG2 VAL 60 1HG2 VAL 60 0.834 3.329 -3.681 474 2HG2 VAL 60 2HG2 VAL 60 1.025 4.136 -5.236 475 3HG2 VAL 60 3HG2 VAL 60 0.265 4.979 -3.883 476 H ARG 61 H ARG 61 5.463 5.087 -4.884 477 HA ARG 61 HA ARG 61 4.750 4.787 -7.709 478 1HB ARG 61 1HB ARG 61 6.809 6.632 -6.484 479 2HB ARG 61 2HB ARG 61 6.432 6.531 -8.200 480 1HG ARG 61 1HG ARG 61 4.513 7.379 -6.022 481 2HG ARG 61 2HG ARG 61 5.345 8.451 -7.147 482 1HD ARG 61 1HD ARG 61 3.379 6.292 -7.927 483 2HD ARG 61 2HD ARG 61 3.004 8.001 -7.792 484 HE ARG 61 HE ARG 61 5.095 7.934 -9.502 485 1HH1 ARG 61 1HH1 ARG 61 1.897 6.365 -9.461 486 2HH1 ARG 61 2HH1 ARG 61 1.782 6.286 -11.157 487 1HH2 ARG 61 1HH2 ARG 61 4.858 7.848 -11.864 488 2HH2 ARG 61 2HH2 ARG 61 3.477 7.132 -12.534 489 H SER 62 H SER 62 7.225 3.839 -5.462 490 HA SER 62 HA SER 62 9.076 2.864 -7.332 491 1HB SER 62 1HB SER 62 8.534 2.093 -4.447 492 2HB SER 62 2HB SER 62 9.896 1.430 -5.361 493 HG SER 62 HG SER 62 9.348 4.063 -4.536 494 H MET 63 H MET 63 6.282 1.349 -5.828 495 HA MET 63 HA MET 63 6.686 -1.160 -7.101 496 1HB MET 63 1HB MET 63 4.209 0.050 -5.875 497 2HB MET 63 2HB MET 63 4.274 -1.601 -6.481 498 1HG MET 63 1HG MET 63 5.935 -0.445 -4.253 499 2HG MET 63 2HG MET 63 4.549 -1.517 -4.066 500 1HE MET 63 1HE MET 63 5.898 -4.845 -5.666 501 2HE MET 63 2HE MET 63 5.002 -3.574 -6.488 502 3HE MET 63 3HE MET 63 4.538 -4.071 -4.859 503 H ASP 64 H ASP 64 5.116 1.778 -7.980 504 HA ASP 64 HA ASP 64 3.718 0.797 -10.244 505 1HB ASP 64 1HB ASP 64 3.157 2.934 -9.133 506 2HB ASP 64 2HB ASP 64 4.707 3.594 -9.630 507 H ARG 65 H ARG 65 6.872 2.300 -9.765 508 HA ARG 65 HA ARG 65 7.829 2.355 -12.399 509 1HB ARG 65 1HB ARG 65 9.297 1.994 -9.789 510 2HB ARG 65 2HB ARG 65 10.121 2.125 -11.329 511 1HG ARG 65 1HG ARG 65 8.275 4.262 -10.276 512 2HG ARG 65 2HG ARG 65 9.987 4.209 -9.898 513 1HD ARG 65 1HD ARG 65 9.599 5.733 -11.761 514 2HD ARG 65 2HD ARG 65 10.535 4.347 -12.289 515 HE ARG 65 HE ARG 65 7.651 4.347 -12.728 516 1HH1 ARG 65 1HH1 ARG 65 10.909 4.743 -14.122 517 2HH1 ARG 65 2HH1 ARG 65 10.405 4.518 -15.720 518 1HH2 ARG 65 1HH2 ARG 65 6.986 4.087 -14.959 519 2HH2 ARG 65 2HH2 ARG 65 8.116 4.127 -16.218 520 H LYS 66 H LYS 66 8.062 -0.247 -9.973 521 HA LYS 66 HA LYS 66 9.576 -1.921 -11.692 522 1HB LYS 66 1HB LYS 66 9.351 -3.682 -9.994 523 2HB LYS 66 2HB LYS 66 9.734 -2.142 -9.255 524 1HG LYS 66 1HG LYS 66 8.214 -3.139 -7.843 525 2HG LYS 66 2HG LYS 66 7.316 -1.914 -8.730 526 1HD LYS 66 1HD LYS 66 5.872 -3.822 -8.595 527 2HD LYS 66 2HD LYS 66 6.472 -3.762 -10.241 528 1HE LYS 66 1HE LYS 66 7.508 -5.592 -8.046 529 2HE LYS 66 2HE LYS 66 6.405 -6.057 -9.323 530 1HZ LYS 66 1HZ LYS 66 8.574 -6.786 -9.854 531 2HZ LYS 66 2HZ LYS 66 9.267 -5.327 -9.573 532 3HZ LYS 66 3HZ LYS 66 8.264 -5.530 -10.934 533 H SER 67 H SER 67 6.369 -1.130 -11.790 534 HA SER 67 HA SER 67 5.676 -3.618 -13.164 535 1HB SER 67 1HB SER 67 4.267 -3.032 -11.198 536 2HB SER 67 2HB SER 67 3.864 -1.500 -11.964 537 HG SER 67 HG SER 67 3.207 -3.072 -13.769 538 H ASN 68 H ASN 68 7.039 -0.860 -13.944 539 HA ASN 68 HA ASN 68 5.549 -0.556 -16.446 540 1HB ASN 68 1HB ASN 68 5.033 1.252 -14.665 541 2HB ASN 68 2HB ASN 68 6.699 1.767 -14.873 542 1HD2 ASN 68 1HD2 ASN 68 3.559 1.635 -16.278 543 2HD2 ASN 68 2HD2 ASN 68 3.841 2.735 -17.571 544 H THR 69 H THR 69 7.324 1.356 -17.581 545 HA THR 69 HA THR 69 9.447 -0.289 -18.336 546 HB THR 69 HB THR 69 8.615 1.344 -19.896 547 HG1 THR 69 HG1 THR 69 10.682 2.547 -20.261 548 1HG2 THR 69 1HG2 THR 69 8.980 3.756 -19.574 549 2HG2 THR 69 2HG2 THR 69 9.652 3.367 -17.966 550 3HG2 THR 69 3HG2 THR 69 7.960 3.018 -18.319 551 H ARG 70 H ARG 70 11.539 -0.397 -17.779 552 HA ARG 70 HA ARG 70 12.314 1.133 -15.395 553 1HB ARG 70 1HB ARG 70 13.812 -0.727 -14.816 554 2HB ARG 70 2HB ARG 70 12.133 -1.219 -14.904 555 1HG ARG 70 1HG ARG 70 12.549 -2.231 -17.087 556 2HG ARG 70 2HG ARG 70 14.239 -1.722 -17.002 557 1HD ARG 70 1HD ARG 70 14.525 -3.048 -14.959 558 2HD ARG 70 2HD ARG 70 12.847 -3.547 -15.054 559 HE ARG 70 HE ARG 70 14.336 -4.150 -17.408 560 1HH1 ARG 70 1HH1 ARG 70 13.590 -5.278 -14.153 561 2HH1 ARG 70 2HH1 ARG 70 13.865 -6.925 -14.461 562 1HH2 ARG 70 1HH2 ARG 70 14.728 -6.426 -17.867 563 2HH2 ARG 70 2HH2 ARG 70 14.528 -7.601 -16.649 564 H ASN 71 H ASN 71 12.652 1.867 -18.248 565 HA ASN 71 HA ASN 71 15.389 1.745 -18.987 566 1HB ASN 71 1HB ASN 71 13.493 2.560 -20.483 567 2HB ASN 71 2HB ASN 71 13.490 4.044 -19.540 568 1HD2 ASN 71 1HD2 ASN 71 13.977 3.684 -22.368 569 2HD2 ASN 71 2HD2 ASN 71 15.540 4.324 -22.690 570 H ASN 72 H ASN 72 13.536 4.209 -17.259 571 HA ASN 72 HA ASN 72 15.966 4.828 -15.802 572 1HB ASN 72 1HB ASN 72 13.965 6.879 -16.788 573 2HB ASN 72 2HB ASN 72 15.268 7.209 -15.652 574 1HD2 ASN 72 1HD2 ASN 72 17.392 7.183 -16.407 575 2HD2 ASN 72 2HD2 ASN 72 17.778 7.339 -18.076 576 H MET 73 H MET 73 15.412 3.657 -14.104 577 HA MET 73 HA MET 73 12.865 4.232 -12.765 578 1HB MET 73 1HB MET 73 13.349 1.867 -13.125 579 2HB MET 73 2HB MET 73 14.895 2.036 -12.303 580 1HG MET 73 1HG MET 73 13.726 2.566 -10.218 581 2HG MET 73 2HG MET 73 12.181 2.388 -11.036 582 1HE MET 73 1HE MET 73 12.154 -1.459 -11.845 583 2HE MET 73 2HE MET 73 12.705 -0.164 -12.905 584 3HE MET 73 3HE MET 73 11.244 0.049 -11.937 585 H ILE 74 H ILE 74 16.210 4.788 -12.672 586 HA ILE 74 HA ILE 74 17.595 5.891 -11.371 587 HB ILE 74 HB ILE 74 15.164 6.667 -9.696 588 1HG1 ILE 74 1HG1 ILE 74 16.723 8.253 -11.757 589 2HG1 ILE 74 2HG1 ILE 74 15.138 7.536 -12.012 590 1HG2 ILE 74 1HG2 ILE 74 16.596 8.403 -8.699 591 2HG2 ILE 74 2HG2 ILE 74 17.975 7.781 -9.608 592 3HG2 ILE 74 3HG2 ILE 74 17.221 6.784 -8.364 593 1HD1 ILE 74 1HD1 ILE 74 14.975 9.928 -11.600 594 2HD1 ILE 74 2HD1 ILE 74 15.802 9.729 -10.054 595 3HD1 ILE 74 3HD1 ILE 74 14.206 9.022 -10.297 596 H GLN 75 H GLN 75 18.728 4.214 -10.844 597 HA GLN 75 HA GLN 75 18.338 3.091 -8.213 598 1HB GLN 75 1HB GLN 75 18.867 0.801 -9.142 599 2HB GLN 75 2HB GLN 75 17.284 1.425 -9.567 600 1HG GLN 75 1HG GLN 75 18.072 1.992 -11.790 601 2HG GLN 75 2HG GLN 75 19.701 1.483 -11.367 602 1HE2 GLN 75 1HE2 GLN 75 19.763 -0.033 -12.991 603 2HE2 GLN 75 2HE2 GLN 75 18.879 -1.512 -12.907 Start of MODEL 19 1 1H GLY 2 1H GLY 2 -16.121 -16.684 3.099 2 1HA GLY 2 1HA GLY 2 -13.421 -17.440 2.235 3 2HA GLY 2 2HA GLY 2 -14.643 -17.010 1.033 4 H SER 3 H SER 3 -14.164 -15.634 4.230 5 HA SER 3 HA SER 3 -14.252 -13.035 3.120 6 1HB SER 3 1HB SER 3 -14.112 -12.483 5.630 7 2HB SER 3 2HB SER 3 -15.550 -13.323 5.032 8 HG SER 3 HG SER 3 -13.986 -14.140 6.952 9 H GLU 4 H GLU 4 -12.390 -12.714 2.017 10 HA GLU 4 HA GLU 4 -9.879 -12.599 3.577 11 1HB GLU 4 1HB GLU 4 -8.737 -12.529 1.410 12 2HB GLU 4 2HB GLU 4 -9.752 -13.960 1.525 13 1HG GLU 4 1HG GLU 4 -11.457 -12.864 0.178 14 2HG GLU 4 2HG GLU 4 -10.452 -11.419 0.079 15 H VAL 5 H VAL 5 -12.404 -10.899 2.624 16 HA VAL 5 HA VAL 5 -13.049 -8.844 2.409 17 HB VAL 5 HB VAL 5 -10.470 -8.025 3.782 18 1HG1 VAL 5 1HG1 VAL 5 -11.742 -6.025 4.468 19 2HG1 VAL 5 2HG1 VAL 5 -13.111 -6.584 3.511 20 3HG1 VAL 5 3HG1 VAL 5 -11.601 -6.146 2.712 21 1HG2 VAL 5 1HG2 VAL 5 -11.793 -8.064 5.853 22 2HG2 VAL 5 2HG2 VAL 5 -11.704 -9.661 5.110 23 3HG2 VAL 5 3HG2 VAL 5 -13.172 -8.697 4.957 24 H SER 6 H SER 6 -12.896 -9.172 0.174 25 HA SER 6 HA SER 6 -10.963 -7.358 -0.967 26 1HB SER 6 1HB SER 6 -11.551 -8.510 -3.180 27 2HB SER 6 2HB SER 6 -10.665 -9.486 -2.011 28 HG SER 6 HG SER 6 -12.485 -10.484 -3.083 29 H ASP 7 H ASP 7 -11.916 -5.513 -0.570 30 HA ASP 7 HA ASP 7 -14.099 -4.667 -2.191 31 1HB ASP 7 1HB ASP 7 -15.361 -5.813 -0.414 32 2HB ASP 7 2HB ASP 7 -14.509 -4.884 0.807 33 H LYS 8 H LYS 8 -13.349 -2.783 -2.789 34 HA LYS 8 HA LYS 8 -11.203 -1.377 -1.734 35 1HB LYS 8 1HB LYS 8 -11.815 0.462 -3.143 36 2HB LYS 8 2HB LYS 8 -12.087 -1.058 -3.984 37 1HG LYS 8 1HG LYS 8 -14.429 -0.911 -3.682 38 2HG LYS 8 2HG LYS 8 -14.260 0.469 -2.593 39 1HD LYS 8 1HD LYS 8 -14.934 1.269 -4.737 40 2HD LYS 8 2HD LYS 8 -13.244 1.712 -4.408 41 1HE LYS 8 1HE LYS 8 -12.466 -0.089 -5.821 42 2HE LYS 8 2HE LYS 8 -14.122 -0.618 -6.110 43 1HZ LYS 8 1HZ LYS 8 -12.930 1.965 -6.963 44 2HZ LYS 8 2HZ LYS 8 -14.548 1.514 -7.150 45 3HZ LYS 8 3HZ LYS 8 -13.352 0.653 -7.952 46 H ARG 9 H ARG 9 -11.127 0.851 -0.900 47 HA ARG 9 HA ARG 9 -11.468 2.376 0.757 48 1HB ARG 9 1HB ARG 9 -14.365 1.714 0.190 49 2HB ARG 9 2HB ARG 9 -13.846 3.065 1.186 50 1HG ARG 9 1HG ARG 9 -12.768 4.093 -0.733 51 2HG ARG 9 2HG ARG 9 -13.173 2.697 -1.733 52 1HD ARG 9 1HD ARG 9 -14.729 4.522 -2.137 53 2HD ARG 9 2HD ARG 9 -15.546 3.145 -1.408 54 HE ARG 9 HE ARG 9 -14.670 5.168 0.461 55 1HH1 ARG 9 1HH1 ARG 9 -17.324 4.028 -1.586 56 2HH1 ARG 9 2HH1 ARG 9 -18.535 4.812 -0.713 57 1HH2 ARG 9 1HH2 ARG 9 -16.358 6.296 1.687 58 2HH2 ARG 9 2HH2 ARG 9 -17.968 6.135 1.183 59 H THR 10 H THR 10 -11.031 -0.371 1.395 60 HA THR 10 HA THR 10 -12.568 -1.561 3.339 61 HB THR 10 HB THR 10 -9.551 -1.529 3.257 62 HG1 THR 10 HG1 THR 10 -11.457 -2.695 1.478 63 1HG2 THR 10 1HG2 THR 10 -11.556 -3.675 3.980 64 2HG2 THR 10 2HG2 THR 10 -10.590 -2.743 5.124 65 3HG2 THR 10 3HG2 THR 10 -9.800 -3.852 4.003 66 H CYS 11 H CYS 11 -10.140 0.977 3.567 67 HA CYS 11 HA CYS 11 -10.951 1.572 6.267 68 1HB CYS 11 1HB CYS 11 -8.535 1.859 6.844 69 2HB CYS 11 2HB CYS 11 -8.988 0.179 6.547 70 H VAL 12 H VAL 12 -10.757 3.777 6.657 71 HA VAL 12 HA VAL 12 -9.845 5.403 4.393 72 HB VAL 12 HB VAL 12 -11.386 7.157 5.151 73 1HG1 VAL 12 1HG1 VAL 12 -12.138 5.647 3.401 74 2HG1 VAL 12 2HG1 VAL 12 -13.503 6.092 4.431 75 3HG1 VAL 12 3HG1 VAL 12 -12.742 4.512 4.610 76 1HG2 VAL 12 1HG2 VAL 12 -12.430 5.096 7.096 77 2HG2 VAL 12 2HG2 VAL 12 -13.158 6.676 6.796 78 3HG2 VAL 12 3HG2 VAL 12 -11.553 6.565 7.514 79 H SER 13 H SER 13 -8.887 4.276 7.160 80 HA SER 13 HA SER 13 -8.055 6.665 8.453 81 1HB SER 13 1HB SER 13 -7.105 4.968 10.047 82 2HB SER 13 2HB SER 13 -8.859 4.897 9.800 83 HG SER 13 HG SER 13 -7.417 2.898 9.674 84 H LEU 14 H LEU 14 -5.820 7.099 8.812 85 HA LEU 14 HA LEU 14 -4.019 5.908 6.821 86 1HB LEU 14 1HB LEU 14 -4.147 8.792 7.673 87 2HB LEU 14 2HB LEU 14 -3.079 8.095 6.468 88 HG LEU 14 HG LEU 14 -6.048 8.189 6.275 89 1HD1 LEU 14 1HD1 LEU 14 -5.118 10.434 6.146 90 2HD1 LEU 14 2HD1 LEU 14 -5.681 9.929 4.553 91 3HD1 LEU 14 3HD1 LEU 14 -3.960 9.903 4.928 92 1HD2 LEU 14 1HD2 LEU 14 -5.186 6.360 5.011 93 2HD2 LEU 14 2HD2 LEU 14 -3.956 7.365 4.279 94 3HD2 LEU 14 3HD2 LEU 14 -5.658 7.626 3.877 95 H THR 15 H THR 15 -2.349 5.072 7.744 96 HA THR 15 HA THR 15 -1.971 5.179 10.523 97 HB THR 15 HB THR 15 -1.249 3.202 9.160 98 HG1 THR 15 HG1 THR 15 -0.409 3.677 11.255 99 1HG2 THR 15 1HG2 THR 15 -0.187 4.383 7.276 100 2HG2 THR 15 2HG2 THR 15 0.930 3.237 8.017 101 3HG2 THR 15 3HG2 THR 15 1.079 4.965 8.357 102 H THR 16 H THR 16 -0.368 6.902 7.948 103 HA THR 16 HA THR 16 1.004 8.662 7.857 104 HB THR 16 HB THR 16 0.322 9.039 10.796 105 HG1 THR 16 HG1 THR 16 -1.458 9.876 10.069 106 1HG2 THR 16 1HG2 THR 16 1.503 10.983 8.796 107 2HG2 THR 16 2HG2 THR 16 2.369 10.261 10.152 108 3HG2 THR 16 3HG2 THR 16 1.036 11.377 10.452 109 H GLN 17 H GLN 17 1.603 6.600 10.650 110 HA GLN 17 HA GLN 17 4.343 7.051 11.039 111 1HB GLN 17 1HB GLN 17 2.805 4.471 11.394 112 2HB GLN 17 2HB GLN 17 4.345 4.855 12.138 113 1HG GLN 17 1HG GLN 17 1.717 6.223 12.654 114 2HG GLN 17 2HG GLN 17 2.526 5.082 13.717 115 1HE2 GLN 17 1HE2 GLN 17 5.188 6.259 13.188 116 2HE2 GLN 17 2HE2 GLN 17 5.206 7.742 14.061 117 H ARG 18 H ARG 18 6.155 6.013 10.167 118 HA ARG 18 HA ARG 18 5.620 5.155 7.464 119 1HB ARG 18 1HB ARG 18 8.206 5.986 8.730 120 2HB ARG 18 2HB ARG 18 7.983 5.532 7.042 121 1HG ARG 18 1HG ARG 18 6.309 7.337 6.844 122 2HG ARG 18 2HG ARG 18 6.743 7.862 8.462 123 1HD ARG 18 1HD ARG 18 8.558 7.567 6.145 124 2HD ARG 18 2HD ARG 18 7.852 9.098 6.660 125 HE ARG 18 HE ARG 18 9.167 7.917 8.838 126 1HH1 ARG 18 1HH1 ARG 18 10.054 9.548 5.796 127 2HH1 ARG 18 2HH1 ARG 18 11.548 10.088 6.385 128 1HH2 ARG 18 1HH2 ARG 18 11.216 8.679 9.613 129 2HH2 ARG 18 2HH2 ARG 18 12.233 9.594 8.596 130 H LEU 19 H LEU 19 6.071 3.262 6.637 131 HA LEU 19 HA LEU 19 7.327 1.226 8.319 132 1HB LEU 19 1HB LEU 19 5.444 0.942 5.957 133 2HB LEU 19 2HB LEU 19 6.303 -0.397 6.666 134 HG LEU 19 HG LEU 19 5.038 0.021 8.792 135 1HD1 LEU 19 1HD1 LEU 19 2.998 1.335 8.714 136 2HD1 LEU 19 2HD1 LEU 19 3.389 1.865 7.086 137 3HD1 LEU 19 3HD1 LEU 19 4.414 2.353 8.440 138 1HD2 LEU 19 1HD2 LEU 19 3.416 -0.577 6.334 139 2HD2 LEU 19 2HD2 LEU 19 2.980 -0.994 7.994 140 3HD2 LEU 19 3HD2 LEU 19 4.402 -1.724 7.245 141 HA PRO 20 HA PRO 20 10.818 1.252 5.559 142 1HB PRO 20 1HB PRO 20 10.803 -1.694 5.660 143 2HB PRO 20 2HB PRO 20 12.068 -0.571 6.154 144 1HG PRO 20 1HG PRO 20 10.530 -1.980 7.884 145 2HG PRO 20 2HG PRO 20 11.270 -0.422 8.293 146 1HD PRO 20 1HD PRO 20 8.441 -1.093 7.718 147 2HD PRO 20 2HD PRO 20 9.131 0.244 8.659 148 H CYS 21 H CYS 21 11.039 1.114 3.372 149 HA CYS 21 HA CYS 21 8.751 0.400 1.854 150 1HB CYS 21 1HB CYS 21 10.628 2.208 1.373 151 2HB CYS 21 2HB CYS 21 11.438 0.850 0.590 152 H SER 22 H SER 22 11.600 -1.183 2.862 153 HA SER 22 HA SER 22 11.713 -3.360 1.089 154 1HB SER 22 1HB SER 22 13.559 -2.797 2.613 155 2HB SER 22 2HB SER 22 12.533 -3.116 4.006 156 HG SER 22 HG SER 22 13.603 -4.918 2.125 157 H ARG 23 H ARG 23 9.504 -2.556 3.671 158 HA ARG 23 HA ARG 23 8.620 -5.309 3.840 159 1HB ARG 23 1HB ARG 23 7.882 -2.928 5.526 160 2HB ARG 23 2HB ARG 23 7.160 -4.518 5.714 161 1HG ARG 23 1HG ARG 23 9.386 -5.453 6.149 162 2HG ARG 23 2HG ARG 23 10.071 -3.832 6.035 163 1HD ARG 23 1HD ARG 23 8.665 -3.130 7.932 164 2HD ARG 23 2HD ARG 23 8.017 -4.764 8.043 165 HE ARG 23 HE ARG 23 10.697 -5.108 8.170 166 1HH1 ARG 23 1HH1 ARG 23 8.400 -3.194 10.075 167 2HH1 ARG 23 2HH1 ARG 23 9.303 -3.349 11.517 168 1HH2 ARG 23 1HH2 ARG 23 11.916 -5.255 10.175 169 2HH2 ARG 23 2HH2 ARG 23 11.300 -4.488 11.567 170 H ILE 24 H ILE 24 7.909 -2.660 2.016 171 HA ILE 24 HA ILE 24 5.060 -2.978 1.792 172 HB ILE 24 HB ILE 24 7.023 -1.783 -0.204 173 1HG1 ILE 24 1HG1 ILE 24 6.879 -0.582 2.045 174 2HG1 ILE 24 2HG1 ILE 24 6.490 0.399 0.642 175 1HG2 ILE 24 1HG2 ILE 24 5.037 -0.756 -1.252 176 2HG2 ILE 24 2HG2 ILE 24 4.036 -1.582 -0.044 177 3HG2 ILE 24 3HG2 ILE 24 4.929 -2.531 -1.206 178 1HD1 ILE 24 1HD1 ILE 24 4.485 -0.862 2.518 179 2HD1 ILE 24 2HD1 ILE 24 4.139 0.168 1.111 180 3HD1 ILE 24 3HD1 ILE 24 4.977 0.842 2.489 181 H LYS 25 H LYS 25 4.046 -4.561 0.653 182 HA LYS 25 HA LYS 25 5.683 -6.201 -1.132 183 1HB LYS 25 1HB LYS 25 4.343 -7.162 0.773 184 2HB LYS 25 2HB LYS 25 2.903 -6.678 -0.080 185 1HG LYS 25 1HG LYS 25 4.924 -8.657 -1.195 186 2HG LYS 25 2HG LYS 25 3.463 -9.126 -0.342 187 1HD LYS 25 1HD LYS 25 2.110 -8.062 -2.107 188 2HD LYS 25 2HD LYS 25 3.593 -7.566 -2.922 189 1HE LYS 25 1HE LYS 25 2.771 -10.409 -2.371 190 2HE LYS 25 2HE LYS 25 2.573 -9.593 -3.919 191 1HZ LYS 25 1HZ LYS 25 5.011 -9.364 -4.032 192 2HZ LYS 25 2HZ LYS 25 4.546 -10.965 -3.904 193 3HZ LYS 25 3HZ LYS 25 5.164 -10.186 -2.564 194 H THR 26 H THR 26 2.477 -4.624 -0.920 195 HA THR 26 HA THR 26 2.668 -3.720 -3.607 196 HB THR 26 HB THR 26 1.872 -6.115 -3.847 197 HG1 THR 26 HG1 THR 26 -0.008 -5.463 -5.133 198 1HG2 THR 26 1HG2 THR 26 0.531 -6.279 -1.803 199 2HG2 THR 26 2HG2 THR 26 -0.456 -6.630 -3.227 200 3HG2 THR 26 3HG2 THR 26 -0.586 -5.065 -2.434 201 H TYR 27 H TYR 27 0.572 -2.482 -4.111 202 HA TYR 27 HA TYR 27 -0.696 -1.557 -1.647 203 1HB TYR 27 1HB TYR 27 -0.461 0.785 -2.237 204 2HB TYR 27 2HB TYR 27 1.134 0.111 -2.240 205 HD1 TYR 27 HD1 TYR 27 2.417 0.014 -4.260 206 HD2 TYR 27 HD2 TYR 27 -1.607 1.307 -4.291 207 HE1 TYR 27 HE1 TYR 27 2.700 0.921 -6.575 208 HE2 TYR 27 HE2 TYR 27 -1.375 2.179 -6.507 209 HH TYR 27 HH TYR 27 1.309 1.461 -8.507 210 H THR 28 H THR 28 -2.624 -0.397 -2.060 211 HA THR 28 HA THR 28 -3.839 -0.606 -4.692 212 HB THR 28 HB THR 28 -5.140 -1.447 -2.113 213 HG1 THR 28 HG1 THR 28 -3.919 -3.187 -2.766 214 1HG2 THR 28 1HG2 THR 28 -7.043 -2.150 -3.536 215 2HG2 THR 28 2HG2 THR 28 -6.203 -1.483 -4.936 216 3HG2 THR 28 3HG2 THR 28 -6.735 -0.415 -3.642 217 H ILE 29 H ILE 29 -4.604 1.391 -5.146 218 HA ILE 29 HA ILE 29 -4.960 3.230 -2.877 219 HB ILE 29 HB ILE 29 -4.805 3.939 -5.826 220 1HG1 ILE 29 1HG1 ILE 29 -2.712 4.262 -3.637 221 2HG1 ILE 29 2HG1 ILE 29 -2.630 3.136 -4.982 222 1HG2 ILE 29 1HG2 ILE 29 -6.138 5.538 -4.544 223 2HG2 ILE 29 2HG2 ILE 29 -4.603 6.266 -5.019 224 3HG2 ILE 29 3HG2 ILE 29 -4.836 5.704 -3.364 225 1HD1 ILE 29 1HD1 ILE 29 -1.239 5.065 -5.360 226 2HD1 ILE 29 2HD1 ILE 29 -2.640 6.121 -5.144 227 3HD1 ILE 29 3HD1 ILE 29 -2.567 5.024 -6.528 228 H THR 30 H THR 30 -6.916 3.817 -2.246 229 HA THR 30 HA THR 30 -9.112 3.266 -4.089 230 HB THR 30 HB THR 30 -10.493 2.594 -2.118 231 HG1 THR 30 HG1 THR 30 -8.099 3.132 -0.784 232 1HG2 THR 30 1HG2 THR 30 -8.031 0.915 -2.596 233 2HG2 THR 30 2HG2 THR 30 -9.504 0.885 -3.565 234 3HG2 THR 30 3HG2 THR 30 -9.535 0.331 -1.889 235 H GLU 31 H GLU 31 -10.789 4.737 -4.070 236 HA GLU 31 HA GLU 31 -10.521 6.925 -2.217 237 1HB GLU 31 1HB GLU 31 -10.756 8.547 -4.100 238 2HB GLU 31 2HB GLU 31 -9.216 7.713 -4.008 239 1HG GLU 31 1HG GLU 31 -9.997 6.168 -5.761 240 2HG GLU 31 2HG GLU 31 -11.474 7.121 -5.902 241 H GLY 32 H GLY 32 -12.252 7.804 -1.604 242 1HA GLY 32 1HA GLY 32 -14.699 8.035 -2.951 243 2HA GLY 32 2HA GLY 32 -14.774 6.661 -1.836 244 H SER 33 H SER 33 -14.408 10.087 -2.139 245 HA SER 33 HA SER 33 -14.602 11.815 -0.760 246 1HB SER 33 1HB SER 33 -15.421 9.799 1.364 247 2HB SER 33 2HB SER 33 -15.477 11.550 1.582 248 HG SER 33 HG SER 33 -16.768 11.409 -0.484 249 H LEU 34 H LEU 34 -13.015 9.105 0.811 250 HA LEU 34 HA LEU 34 -10.724 10.868 1.226 251 1HB LEU 34 1HB LEU 34 -11.567 8.462 2.875 252 2HB LEU 34 2HB LEU 34 -10.057 9.319 3.079 253 HG LEU 34 HG LEU 34 -12.798 10.401 3.559 254 1HD1 LEU 34 1HD1 LEU 34 -10.591 9.618 5.461 255 2HD1 LEU 34 2HD1 LEU 34 -12.205 8.898 5.324 256 3HD1 LEU 34 3HD1 LEU 34 -12.018 10.538 5.915 257 1HD2 LEU 34 1HD2 LEU 34 -11.370 12.180 2.751 258 2HD2 LEU 34 2HD2 LEU 34 -10.115 11.732 3.902 259 3HD2 LEU 34 3HD2 LEU 34 -11.645 12.390 4.482 260 H ARG 35 H ARG 35 -8.833 10.177 0.430 261 HA ARG 35 HA ARG 35 -8.846 7.676 -1.163 262 1HB ARG 35 1HB ARG 35 -8.563 9.830 -2.418 263 2HB ARG 35 2HB ARG 35 -7.148 10.172 -1.445 264 1HG ARG 35 1HG ARG 35 -5.999 8.263 -2.379 265 2HG ARG 35 2HG ARG 35 -7.416 7.808 -3.315 266 1HD ARG 35 1HD ARG 35 -7.300 10.021 -4.446 267 2HD ARG 35 2HD ARG 35 -5.813 10.346 -3.568 268 HE ARG 35 HE ARG 35 -5.864 7.935 -5.171 269 1HH1 ARG 35 1HH1 ARG 35 -4.945 11.348 -5.011 270 2HH1 ARG 35 2HH1 ARG 35 -3.810 11.249 -6.287 271 1HH2 ARG 35 1HH2 ARG 35 -4.302 7.800 -6.925 272 2HH2 ARG 35 2HH2 ARG 35 -3.424 9.169 -7.396 273 H ALA 36 H ALA 36 -7.807 6.125 -0.322 274 HA ALA 36 HA ALA 36 -5.474 6.709 1.345 275 1HB ALA 36 1HB ALA 36 -7.621 4.669 1.916 276 2HB ALA 36 2HB ALA 36 -7.363 6.172 2.805 277 3HB ALA 36 3HB ALA 36 -6.141 4.901 2.845 278 H VAL 37 H VAL 37 -3.760 5.387 0.986 279 HA VAL 37 HA VAL 37 -4.178 3.342 -1.003 280 HB VAL 37 HB VAL 37 -2.511 4.980 -1.716 281 1HG1 VAL 37 1HG1 VAL 37 -0.455 5.358 -0.508 282 2HG1 VAL 37 2HG1 VAL 37 -1.056 4.370 0.824 283 3HG1 VAL 37 3HG1 VAL 37 -1.865 5.883 0.410 284 1HG2 VAL 37 1HG2 VAL 37 -2.089 2.659 -2.336 285 2HG2 VAL 37 2HG2 VAL 37 -1.172 2.431 -0.844 286 3HG2 VAL 37 3HG2 VAL 37 -0.578 3.535 -2.083 287 H ILE 38 H ILE 38 -4.157 1.380 -0.423 288 HA ILE 38 HA ILE 38 -3.413 0.695 2.301 289 HB ILE 38 HB ILE 38 -4.935 -0.895 0.212 290 1HG1 ILE 38 1HG1 ILE 38 -5.929 0.605 2.647 291 2HG1 ILE 38 2HG1 ILE 38 -6.138 1.112 0.976 292 1HG2 ILE 38 1HG2 ILE 38 -4.500 -1.463 3.154 293 2HG2 ILE 38 2HG2 ILE 38 -3.793 -2.355 1.810 294 3HG2 ILE 38 3HG2 ILE 38 -5.536 -2.394 2.071 295 1HD1 ILE 38 1HD1 ILE 38 -7.522 -0.868 0.567 296 2HD1 ILE 38 2HD1 ILE 38 -8.158 0.127 1.884 297 3HD1 ILE 38 3HD1 ILE 38 -7.281 -1.358 2.245 298 H PHE 39 H PHE 39 -1.513 -0.101 2.616 299 HA PHE 39 HA PHE 39 -0.087 -1.427 0.439 300 1HB PHE 39 1HB PHE 39 0.896 -0.165 2.978 301 2HB PHE 39 2HB PHE 39 1.905 -1.202 1.981 302 HD1 PHE 39 HD1 PHE 39 2.340 -0.557 -0.342 303 HD2 PHE 39 HD2 PHE 39 0.567 2.065 2.456 304 HE1 PHE 39 HE1 PHE 39 2.955 1.336 -1.765 305 HE2 PHE 39 HE2 PHE 39 1.161 3.976 1.044 306 HZ PHE 39 HZ PHE 39 2.372 3.570 -1.116 307 H ILE 40 H ILE 40 0.139 -3.478 0.491 308 HA ILE 40 HA ILE 40 -0.511 -4.842 2.979 309 HB ILE 40 HB ILE 40 0.198 -6.200 0.366 310 1HG1 ILE 40 1HG1 ILE 40 -1.631 -4.680 -0.165 311 2HG1 ILE 40 2HG1 ILE 40 -2.196 -6.332 -0.162 312 1HG2 ILE 40 1HG2 ILE 40 -1.466 -6.955 2.753 313 2HG2 ILE 40 2HG2 ILE 40 0.153 -7.564 2.410 314 3HG2 ILE 40 3HG2 ILE 40 -1.211 -8.012 1.362 315 1HD1 ILE 40 1HD1 ILE 40 -3.840 -4.849 0.905 316 2HD1 ILE 40 2HD1 ILE 40 -2.631 -4.335 2.081 317 3HD1 ILE 40 3HD1 ILE 40 -3.197 -5.997 2.078 318 H THR 41 H THR 41 1.092 -5.546 4.180 319 HA THR 41 HA THR 41 3.779 -5.126 3.199 320 HB THR 41 HB THR 41 3.191 -4.344 5.490 321 HG1 THR 41 HG1 THR 41 5.327 -5.135 4.882 322 1HG2 THR 41 1HG2 THR 41 1.595 -6.089 6.098 323 2HG2 THR 41 2HG2 THR 41 2.882 -5.983 7.303 324 3HG2 THR 41 3HG2 THR 41 2.889 -7.285 6.107 325 H LYS 42 H LYS 42 5.431 -6.892 3.527 326 HA LYS 42 HA LYS 42 4.523 -9.187 2.135 327 1HB LYS 42 1HB LYS 42 7.183 -8.722 3.475 328 2HB LYS 42 2HB LYS 42 6.833 -10.043 2.373 329 1HG LYS 42 1HG LYS 42 6.316 -8.356 0.622 330 2HG LYS 42 2HG LYS 42 6.852 -7.103 1.737 331 1HD LYS 42 1HD LYS 42 8.521 -9.387 0.664 332 2HD LYS 42 2HD LYS 42 8.612 -7.696 0.173 333 1HE LYS 42 1HE LYS 42 9.282 -7.102 2.478 334 2HE LYS 42 2HE LYS 42 9.252 -8.813 2.903 335 1HZ LYS 42 1HZ LYS 42 11.017 -7.581 0.853 336 2HZ LYS 42 2HZ LYS 42 10.994 -9.210 1.274 337 3HZ LYS 42 3HZ LYS 42 11.481 -8.062 2.396 338 H ARG 43 H ARG 43 4.507 -8.491 5.383 339 HA ARG 43 HA ARG 43 4.704 -11.164 6.393 340 1HB ARG 43 1HB ARG 43 5.158 -8.960 7.628 341 2HB ARG 43 2HB ARG 43 3.426 -8.742 7.715 342 1HG ARG 43 1HG ARG 43 4.524 -11.254 8.868 343 2HG ARG 43 2HG ARG 43 4.956 -9.770 9.688 344 1HD ARG 43 1HD ARG 43 3.045 -10.671 10.784 345 2HD ARG 43 2HD ARG 43 2.490 -9.284 9.868 346 HE ARG 43 HE ARG 43 2.012 -11.391 8.226 347 1HH1 ARG 43 1HH1 ARG 43 1.196 -10.725 11.612 348 2HH1 ARG 43 2HH1 ARG 43 -0.268 -11.594 11.562 349 1HH2 ARG 43 1HH2 ARG 43 -0.035 -12.539 8.150 350 2HH2 ARG 43 2HH2 ARG 43 -0.987 -12.624 9.540 351 H GLY 44 H GLY 44 2.337 -9.328 4.741 352 1HA GLY 44 1HA GLY 44 0.464 -10.322 3.760 353 2HA GLY 44 2HA GLY 44 0.384 -11.478 5.074 354 H LEU 45 H LEU 45 0.884 -8.369 6.215 355 HA LEU 45 HA LEU 45 -1.955 -8.140 6.937 356 1HB LEU 45 1HB LEU 45 0.461 -6.725 8.012 357 2HB LEU 45 2HB LEU 45 -1.187 -6.385 8.501 358 HG LEU 45 HG LEU 45 0.275 -8.977 8.893 359 1HD1 LEU 45 1HD1 LEU 45 -0.592 -6.825 10.803 360 2HD1 LEU 45 2HD1 LEU 45 1.073 -7.179 10.323 361 3HD1 LEU 45 3HD1 LEU 45 0.146 -8.362 11.263 362 1HD2 LEU 45 1HD2 LEU 45 -1.674 -9.612 10.257 363 2HD2 LEU 45 2HD2 LEU 45 -2.100 -9.379 8.569 364 3HD2 LEU 45 3HD2 LEU 45 -2.495 -8.133 9.759 365 H LYS 46 H LYS 46 -3.051 -6.315 6.746 366 HA LYS 46 HA LYS 46 -2.272 -4.754 4.423 367 1HB LYS 46 1HB LYS 46 -4.687 -4.312 4.203 368 2HB LYS 46 2HB LYS 46 -4.307 -6.029 4.174 369 1HG LYS 46 1HG LYS 46 -4.825 -5.867 6.727 370 2HG LYS 46 2HG LYS 46 -5.714 -4.427 6.245 371 1HD LYS 46 1HD LYS 46 -6.068 -7.195 5.163 372 2HD LYS 46 2HD LYS 46 -7.170 -6.386 6.270 373 1HE LYS 46 1HE LYS 46 -7.637 -4.688 4.533 374 2HE LYS 46 2HE LYS 46 -6.524 -5.516 3.444 375 1HZ LYS 46 1HZ LYS 46 -8.812 -6.142 2.971 376 2HZ LYS 46 2HZ LYS 46 -9.006 -6.674 4.574 377 3HZ LYS 46 3HZ LYS 46 -7.934 -7.470 3.552 378 H VAL 47 H VAL 47 -1.668 -2.825 4.701 379 HA VAL 47 HA VAL 47 -2.309 -1.414 7.182 380 HB VAL 47 HB VAL 47 0.160 -1.074 5.434 381 1HG1 VAL 47 1HG1 VAL 47 1.068 0.277 7.265 382 2HG1 VAL 47 2HG1 VAL 47 -0.459 0.119 8.132 383 3HG1 VAL 47 3HG1 VAL 47 -0.404 0.991 6.603 384 1HG2 VAL 47 1HG2 VAL 47 0.171 -3.227 6.570 385 2HG2 VAL 47 2HG2 VAL 47 -0.113 -2.432 8.117 386 3HG2 VAL 47 3HG2 VAL 47 1.399 -2.163 7.249 387 H CYS 48 H CYS 48 -2.742 0.918 6.965 388 HA CYS 48 HA CYS 48 -3.543 1.643 4.214 389 1HB CYS 48 1HB CYS 48 -4.792 2.526 6.827 390 2HB CYS 48 2HB CYS 48 -5.409 2.827 5.207 391 H ALA 49 H ALA 49 -2.571 3.501 3.488 392 HA ALA 49 HA ALA 49 -1.151 5.134 5.452 393 1HB ALA 49 1HB ALA 49 -0.043 4.190 2.831 394 2HB ALA 49 2HB ALA 49 0.356 3.527 4.413 395 3HB ALA 49 3HB ALA 49 0.785 5.194 4.024 396 H ASP 50 H ASP 50 -0.631 7.219 4.868 397 HA ASP 50 HA ASP 50 -2.697 8.619 3.455 398 1HB ASP 50 1HB ASP 50 -1.784 9.466 5.551 399 2HB ASP 50 2HB ASP 50 -0.179 9.535 4.843 400 HA PRO 51 HA PRO 51 -0.412 8.433 -0.451 401 1HB PRO 51 1HB PRO 51 -2.484 10.343 -1.339 402 2HB PRO 51 2HB PRO 51 -2.064 8.756 -1.997 403 1HG PRO 51 1HG PRO 51 -4.321 9.112 -0.632 404 2HG PRO 51 2HG PRO 51 -3.362 7.631 -0.447 405 1HD PRO 51 1HD PRO 51 -3.508 10.023 1.350 406 2HD PRO 51 2HD PRO 51 -3.531 8.286 1.753 407 H GLN 52 H GLN 52 -0.886 11.251 1.504 408 HA GLN 52 HA GLN 52 0.496 13.017 -0.354 409 1HB GLN 52 1HB GLN 52 -0.718 13.512 2.368 410 2HB GLN 52 2HB GLN 52 0.093 14.736 1.407 411 1HG GLN 52 1HG GLN 52 -2.367 13.228 0.571 412 2HG GLN 52 2HG GLN 52 -2.355 14.855 1.249 413 1HE2 GLN 52 1HE2 GLN 52 -1.502 16.533 0.031 414 2HE2 GLN 52 2HE2 GLN 52 -1.324 16.431 -1.676 415 H ALA 53 H ALA 53 1.145 10.925 2.179 416 HA ALA 53 HA ALA 53 3.464 12.176 3.288 417 1HB ALA 53 1HB ALA 53 3.913 10.002 4.251 418 2HB ALA 53 2HB ALA 53 2.703 9.264 3.200 419 3HB ALA 53 3HB ALA 53 2.206 10.402 4.449 420 H THR 54 H THR 54 5.452 12.238 2.674 421 HA THR 54 HA THR 54 6.132 11.784 0.033 422 HB THR 54 HB THR 54 7.865 12.228 2.466 423 HG1 THR 54 HG1 THR 54 7.545 14.267 2.072 424 1HG2 THR 54 1HG2 THR 54 9.210 11.207 0.673 425 2HG2 THR 54 2HG2 THR 54 9.636 12.914 0.863 426 3HG2 THR 54 3HG2 THR 54 8.603 12.398 -0.470 427 H TRP 55 H TRP 55 6.531 9.764 2.870 428 HA TRP 55 HA TRP 55 8.313 7.940 1.569 429 1HB TRP 55 1HB TRP 55 8.048 6.445 3.468 430 2HB TRP 55 2HB TRP 55 8.105 8.086 4.072 431 HD1 TRP 55 HD1 TRP 55 5.750 9.072 4.916 432 HE1 TRP 55 HE1 TRP 55 3.739 7.880 6.009 433 HE3 TRP 55 HE3 TRP 55 6.817 4.430 3.437 434 HZ2 TRP 55 HZ2 TRP 55 2.760 5.264 6.191 435 HZ3 TRP 55 HZ3 TRP 55 5.300 2.549 4.075 436 HH2 TRP 55 HH2 TRP 55 3.307 2.973 5.425 437 H VAL 56 H VAL 56 4.906 8.237 1.802 438 HA VAL 56 HA VAL 56 4.291 5.703 0.670 439 HB VAL 56 HB VAL 56 2.580 8.193 1.007 440 1HG1 VAL 56 1HG1 VAL 56 1.783 6.980 -0.909 441 2HG1 VAL 56 2HG1 VAL 56 0.688 6.741 0.457 442 3HG1 VAL 56 3HG1 VAL 56 1.829 5.473 -0.008 443 1HG2 VAL 56 1HG2 VAL 56 1.497 6.876 2.728 444 2HG2 VAL 56 2HG2 VAL 56 3.220 7.046 3.069 445 3HG2 VAL 56 3HG2 VAL 56 2.591 5.533 2.413 446 H ARG 57 H ARG 57 4.302 9.002 -0.572 447 HA ARG 57 HA ARG 57 3.713 8.442 -3.225 448 1HB ARG 57 1HB ARG 57 5.605 10.510 -2.113 449 2HB ARG 57 2HB ARG 57 5.122 10.443 -3.798 450 1HG ARG 57 1HG ARG 57 2.822 10.801 -3.165 451 2HG ARG 57 2HG ARG 57 3.276 10.852 -1.459 452 1HD ARG 57 1HD ARG 57 4.667 12.782 -1.836 453 2HD ARG 57 2HD ARG 57 4.353 12.721 -3.569 454 HE ARG 57 HE ARG 57 1.927 13.034 -2.766 455 1HH1 ARG 57 1HH1 ARG 57 4.788 14.577 -1.342 456 2HH1 ARG 57 2HH1 ARG 57 3.958 15.995 -0.887 457 1HH2 ARG 57 1HH2 ARG 57 0.823 15.025 -2.163 458 2HH2 ARG 57 2HH2 ARG 57 1.697 16.263 -1.360 459 H ASP 58 H ASP 58 6.757 8.360 -1.562 460 HA ASP 58 HA ASP 58 8.401 7.776 -3.753 461 1HB ASP 58 1HB ASP 58 9.232 8.564 -1.584 462 2HB ASP 58 2HB ASP 58 8.773 7.030 -0.857 463 H CYS 59 H CYS 59 6.784 5.541 -1.434 464 HA CYS 59 HA CYS 59 7.931 3.297 -2.806 465 1HB CYS 59 1HB CYS 59 6.004 3.437 -0.563 466 2HB CYS 59 2HB CYS 59 6.645 1.955 -1.273 467 H VAL 60 H VAL 60 4.763 4.807 -2.674 468 HA VAL 60 HA VAL 60 3.399 2.695 -3.942 469 HB VAL 60 HB VAL 60 2.417 4.741 -2.687 470 1HG1 VAL 60 1HG1 VAL 60 3.493 6.510 -3.916 471 2HG1 VAL 60 2HG1 VAL 60 1.721 6.636 -4.059 472 3HG1 VAL 60 3HG1 VAL 60 2.676 5.957 -5.389 473 1HG2 VAL 60 1HG2 VAL 60 0.977 3.129 -3.722 474 2HG2 VAL 60 2HG2 VAL 60 1.109 3.955 -5.277 475 3HG2 VAL 60 3HG2 VAL 60 0.321 4.745 -3.908 476 H ARG 61 H ARG 61 5.492 5.153 -4.919 477 HA ARG 61 HA ARG 61 4.963 4.743 -7.751 478 1HB ARG 61 1HB ARG 61 6.848 6.652 -6.391 479 2HB ARG 61 2HB ARG 61 6.764 6.462 -8.135 480 1HG ARG 61 1HG ARG 61 4.452 7.174 -8.135 481 2HG ARG 61 2HG ARG 61 4.473 7.294 -6.373 482 1HD ARG 61 1HD ARG 61 6.197 8.994 -6.504 483 2HD ARG 61 2HD ARG 61 6.205 8.867 -8.263 484 HE ARG 61 HE ARG 61 3.633 9.416 -7.663 485 1HH1 ARG 61 1HH1 ARG 61 6.696 10.968 -6.804 486 2HH1 ARG 61 2HH1 ARG 61 6.069 12.541 -6.801 487 1HH2 ARG 61 1HH2 ARG 61 2.755 11.604 -7.652 488 2HH2 ARG 61 2HH2 ARG 61 3.790 12.905 -7.275 489 H SER 62 H SER 62 7.328 3.865 -5.353 490 HA SER 62 HA SER 62 9.278 2.822 -7.086 491 1HB SER 62 1HB SER 62 8.516 2.007 -4.253 492 2HB SER 62 2HB SER 62 9.948 1.390 -5.079 493 HG SER 62 HG SER 62 9.370 4.131 -4.555 494 H MET 63 H MET 63 6.378 1.376 -5.698 495 HA MET 63 HA MET 63 6.794 -1.134 -6.994 496 1HB MET 63 1HB MET 63 4.281 -0.018 -5.736 497 2HB MET 63 2HB MET 63 4.496 -1.689 -6.255 498 1HG MET 63 1HG MET 63 6.031 -0.261 -4.098 499 2HG MET 63 2HG MET 63 4.807 -1.514 -3.873 500 1HE MET 63 1HE MET 63 7.821 -1.518 -2.666 501 2HE MET 63 2HE MET 63 8.253 -3.206 -2.902 502 3HE MET 63 3HE MET 63 6.648 -2.789 -2.308 503 H ASP 64 H ASP 64 5.186 1.813 -7.800 504 HA ASP 64 HA ASP 64 3.803 0.876 -10.100 505 1HB ASP 64 1HB ASP 64 3.244 3.012 -8.927 506 2HB ASP 64 2HB ASP 64 4.791 3.661 -9.450 507 H ARG 65 H ARG 65 7.021 1.886 -9.451 508 HA ARG 65 HA ARG 65 7.920 2.132 -12.137 509 1HB ARG 65 1HB ARG 65 9.062 3.158 -10.196 510 2HB ARG 65 2HB ARG 65 9.446 1.562 -9.589 511 1HG ARG 65 1HG ARG 65 10.931 1.164 -11.453 512 2HG ARG 65 2HG ARG 65 10.460 2.697 -12.193 513 1HD ARG 65 1HD ARG 65 11.839 2.359 -9.526 514 2HD ARG 65 2HD ARG 65 12.588 2.938 -11.018 515 HE ARG 65 HE ARG 65 10.499 4.598 -10.687 516 1HH1 ARG 65 1HH1 ARG 65 13.257 3.766 -8.633 517 2HH1 ARG 65 2HH1 ARG 65 13.239 5.215 -7.748 518 1HH2 ARG 65 1HH2 ARG 65 10.435 6.575 -9.454 519 2HH2 ARG 65 2HH2 ARG 65 11.582 6.873 -8.225 520 H LYS 66 H LYS 66 7.517 -0.488 -9.896 521 HA LYS 66 HA LYS 66 8.880 -2.465 -11.492 522 1HB LYS 66 1HB LYS 66 6.824 -2.840 -9.305 523 2HB LYS 66 2HB LYS 66 7.803 -4.106 -10.016 524 1HG LYS 66 1HG LYS 66 9.810 -3.048 -9.113 525 2HG LYS 66 2HG LYS 66 8.806 -1.786 -8.383 526 1HD LYS 66 1HD LYS 66 7.617 -3.506 -7.090 527 2HD LYS 66 2HD LYS 66 8.641 -4.745 -7.810 528 1HE LYS 66 1HE LYS 66 10.615 -3.683 -6.794 529 2HE LYS 66 2HE LYS 66 9.562 -2.457 -6.082 530 1HZ LYS 66 1HZ LYS 66 9.457 -5.365 -5.516 531 2HZ LYS 66 2HZ LYS 66 8.419 -4.207 -4.881 532 3HZ LYS 66 3HZ LYS 66 10.076 -4.163 -4.487 533 H SER 67 H SER 67 5.477 -1.801 -10.722 534 HA SER 67 HA SER 67 4.698 -3.262 -13.125 535 1HB SER 67 1HB SER 67 3.018 -2.338 -10.784 536 2HB SER 67 2HB SER 67 2.498 -3.396 -12.099 537 HG SER 67 HG SER 67 4.727 -4.356 -11.045 538 H ASN 68 H ASN 68 5.018 -1.733 -14.694 539 HA ASN 68 HA ASN 68 4.473 1.014 -14.351 540 1HB ASN 68 1HB ASN 68 5.064 -0.592 -16.831 541 2HB ASN 68 2HB ASN 68 4.889 1.159 -16.823 542 1HD2 ASN 68 1HD2 ASN 68 6.458 2.396 -15.865 543 2HD2 ASN 68 2HD2 ASN 68 8.012 1.777 -15.442 544 H THR 69 H THR 69 2.629 -1.604 -15.726 545 HA THR 69 HA THR 69 0.547 0.063 -16.718 546 HB THR 69 HB THR 69 -0.720 -2.054 -16.766 547 HG1 THR 69 HG1 THR 69 0.125 -3.846 -15.831 548 1HG2 THR 69 1HG2 THR 69 2.032 -2.114 -17.850 549 2HG2 THR 69 2HG2 THR 69 0.632 -1.319 -18.594 550 3HG2 THR 69 3HG2 THR 69 0.699 -3.106 -18.471 551 H ARG 70 H ARG 70 0.360 -2.280 -14.323 552 HA ARG 70 HA ARG 70 0.057 -0.561 -12.282 553 1HB ARG 70 1HB ARG 70 -2.309 -0.943 -11.546 554 2HB ARG 70 2HB ARG 70 -2.196 -0.114 -13.086 555 1HG ARG 70 1HG ARG 70 -2.716 -2.214 -14.236 556 2HG ARG 70 2HG ARG 70 -2.835 -3.030 -12.672 557 1HD ARG 70 1HD ARG 70 -4.540 -0.729 -13.631 558 2HD ARG 70 2HD ARG 70 -5.052 -2.408 -13.480 559 HE ARG 70 HE ARG 70 -4.159 -1.673 -10.972 560 1HH1 ARG 70 1HH1 ARG 70 -6.733 -0.527 -13.153 561 2HH1 ARG 70 2HH1 ARG 70 -7.729 -0.005 -11.890 562 1HH2 ARG 70 1HH2 ARG 70 -5.557 -0.935 -9.266 563 2HH2 ARG 70 2HH2 ARG 70 -7.059 -0.247 -9.651 564 H ASN 71 H ASN 71 -0.525 -1.886 -10.202 565 HA ASN 71 HA ASN 71 0.538 -4.562 -10.569 566 1HB ASN 71 1HB ASN 71 0.672 -4.660 -8.087 567 2HB ASN 71 2HB ASN 71 1.507 -3.258 -8.726 568 1HD2 ASN 71 1HD2 ASN 71 -1.167 -4.387 -6.836 569 2HD2 ASN 71 2HD2 ASN 71 -1.617 -2.840 -6.213 570 H ASN 72 H ASN 72 -0.651 -6.388 -10.355 571 HA ASN 72 HA ASN 72 -3.450 -5.832 -10.490 572 1HB ASN 72 1HB ASN 72 -1.962 -8.369 -11.106 573 2HB ASN 72 2HB ASN 72 -3.717 -8.265 -11.123 574 1HD2 ASN 72 1HD2 ASN 72 -4.732 -7.014 -12.709 575 2HD2 ASN 72 2HD2 ASN 72 -3.939 -6.494 -14.129 576 H MET 73 H MET 73 -4.414 -5.495 -8.800 577 HA MET 73 HA MET 73 -5.148 -7.655 -7.110 578 1HB MET 73 1HB MET 73 -3.157 -6.839 -5.868 579 2HB MET 73 2HB MET 73 -3.808 -5.208 -5.880 580 1HG MET 73 1HG MET 73 -5.686 -5.948 -4.504 581 2HG MET 73 2HG MET 73 -5.052 -7.590 -4.516 582 1HE MET 73 1HE MET 73 -5.820 -6.029 -1.854 583 2HE MET 73 2HE MET 73 -4.457 -6.467 -0.824 584 3HE MET 73 3HE MET 73 -5.183 -7.672 -1.887 585 H ILE 74 H ILE 74 -7.284 -7.436 -7.218 586 HA ILE 74 HA ILE 74 -8.460 -5.093 -8.197 587 HB ILE 74 HB ILE 74 -10.614 -6.258 -7.827 588 1HG1 ILE 74 1HG1 ILE 74 -8.887 -8.499 -6.718 589 2HG1 ILE 74 2HG1 ILE 74 -9.990 -7.507 -5.779 590 1HG2 ILE 74 1HG2 ILE 74 -9.404 -6.560 -9.905 591 2HG2 ILE 74 2HG2 ILE 74 -10.221 -8.056 -9.452 592 3HG2 ILE 74 3HG2 ILE 74 -8.485 -7.891 -9.201 593 1HD1 ILE 74 1HD1 ILE 74 -10.755 -9.407 -7.993 594 2HD1 ILE 74 2HD1 ILE 74 -11.873 -8.414 -7.059 595 3HD1 ILE 74 3HD1 ILE 74 -10.951 -9.686 -6.262 596 H GLN 75 H GLN 75 -9.782 -3.722 -7.281 597 HA GLN 75 HA GLN 75 -9.817 -3.639 -4.370 598 1HB GLN 75 1HB GLN 75 -10.115 -1.152 -4.547 599 2HB GLN 75 2HB GLN 75 -8.576 -1.727 -5.130 600 1HG GLN 75 1HG GLN 75 -9.271 -1.439 -7.416 601 2HG GLN 75 2HG GLN 75 -10.902 -1.007 -6.907 602 1HE2 GLN 75 1HE2 GLN 75 -7.605 0.005 -7.075 603 2HE2 GLN 75 2HE2 GLN 75 -7.864 1.677 -6.725 Start of MODEL 20 1 1H GLY 2 1H GLY 2 -17.400 -2.751 13.242 2 1HA GLY 2 1HA GLY 2 -18.083 -1.206 10.868 3 2HA GLY 2 2HA GLY 2 -17.300 -0.596 12.322 4 H SER 3 H SER 3 -16.753 -2.844 9.656 5 HA SER 3 HA SER 3 -14.233 -1.718 9.007 6 1HB SER 3 1HB SER 3 -13.648 -3.119 11.015 7 2HB SER 3 2HB SER 3 -14.324 -4.517 10.196 8 HG SER 3 HG SER 3 -11.900 -3.490 10.047 9 H GLU 4 H GLU 4 -13.777 -2.329 6.884 10 HA GLU 4 HA GLU 4 -15.825 -3.994 5.603 11 1HB GLU 4 1HB GLU 4 -14.986 -1.566 4.833 12 2HB GLU 4 2HB GLU 4 -13.697 -2.492 4.094 13 1HG GLU 4 1HG GLU 4 -16.647 -2.770 3.523 14 2HG GLU 4 2HG GLU 4 -15.468 -1.978 2.497 15 H VAL 5 H VAL 5 -15.179 -5.881 4.557 16 HA VAL 5 HA VAL 5 -12.548 -6.816 5.473 17 HB VAL 5 HB VAL 5 -14.978 -8.475 4.771 18 1HG1 VAL 5 1HG1 VAL 5 -12.380 -9.305 6.069 19 2HG1 VAL 5 2HG1 VAL 5 -12.903 -9.709 4.434 20 3HG1 VAL 5 3HG1 VAL 5 -13.790 -10.340 5.825 21 1HG2 VAL 5 1HG2 VAL 5 -15.201 -8.854 7.181 22 2HG2 VAL 5 2HG2 VAL 5 -15.365 -7.148 6.778 23 3HG2 VAL 5 3HG2 VAL 5 -13.861 -7.752 7.477 24 H SER 6 H SER 6 -14.404 -6.272 2.566 25 HA SER 6 HA SER 6 -12.851 -8.223 1.202 26 1HB SER 6 1HB SER 6 -14.152 -7.620 -0.860 27 2HB SER 6 2HB SER 6 -15.102 -8.224 0.494 28 HG SER 6 HG SER 6 -14.936 -5.566 0.694 29 H ASP 7 H ASP 7 -10.858 -7.628 1.366 30 HA ASP 7 HA ASP 7 -8.863 -7.043 0.550 31 1HB ASP 7 1HB ASP 7 -9.815 -7.649 -1.624 32 2HB ASP 7 2HB ASP 7 -10.388 -6.002 -1.841 33 H LYS 8 H LYS 8 -10.754 -4.299 -0.594 34 HA LYS 8 HA LYS 8 -8.673 -2.578 0.571 35 1HB LYS 8 1HB LYS 8 -9.335 -0.884 -1.172 36 2HB LYS 8 2HB LYS 8 -8.748 -2.403 -1.850 37 1HG LYS 8 1HG LYS 8 -11.015 -3.057 -2.256 38 2HG LYS 8 2HG LYS 8 -11.565 -1.517 -1.589 39 1HD LYS 8 1HD LYS 8 -10.322 -0.306 -3.233 40 2HD LYS 8 2HD LYS 8 -9.667 -1.805 -3.900 41 1HE LYS 8 1HE LYS 8 -11.899 -2.553 -4.346 42 2HE LYS 8 2HE LYS 8 -12.524 -0.998 -3.756 43 1HZ LYS 8 1HZ LYS 8 -11.282 0.104 -5.557 44 2HZ LYS 8 2HZ LYS 8 -12.401 -0.962 -6.170 45 3HZ LYS 8 3HZ LYS 8 -10.774 -1.389 -6.160 46 H ARG 9 H ARG 9 -9.486 -0.272 0.926 47 HA ARG 9 HA ARG 9 -10.371 1.013 2.506 48 1HB ARG 9 1HB ARG 9 -12.761 1.605 2.247 49 2HB ARG 9 2HB ARG 9 -11.894 1.576 0.730 50 1HG ARG 9 1HG ARG 9 -12.939 -0.567 0.196 51 2HG ARG 9 2HG ARG 9 -13.802 -0.525 1.744 52 1HD ARG 9 1HD ARG 9 -14.877 1.564 1.083 53 2HD ARG 9 2HD ARG 9 -14.006 1.535 -0.446 54 HE ARG 9 HE ARG 9 -15.343 -0.819 -0.391 55 1HH1 ARG 9 1HH1 ARG 9 -16.276 2.542 -0.035 56 2HH1 ARG 9 2HH1 ARG 9 -17.824 2.387 -0.706 57 1HH2 ARG 9 1HH2 ARG 9 -17.456 -1.099 -1.353 58 2HH2 ARG 9 2HH2 ARG 9 -18.535 0.204 -1.479 59 H THR 10 H THR 10 -9.895 -1.594 3.364 60 HA THR 10 HA THR 10 -11.727 -2.596 5.213 61 HB THR 10 HB THR 10 -8.704 -2.660 5.126 62 HG1 THR 10 HG1 THR 10 -10.752 -4.060 3.910 63 1HG2 THR 10 1HG2 THR 10 -8.866 -4.689 6.535 64 2HG2 THR 10 2HG2 THR 10 -10.609 -4.435 6.660 65 3HG2 THR 10 3HG2 THR 10 -9.498 -3.267 7.376 66 H CYS 11 H CYS 11 -9.589 0.159 5.359 67 HA CYS 11 HA CYS 11 -10.038 0.451 8.238 68 1HB CYS 11 1HB CYS 11 -7.979 1.799 8.173 69 2HB CYS 11 2HB CYS 11 -7.728 0.134 7.635 70 H VAL 12 H VAL 12 -10.272 2.633 8.990 71 HA VAL 12 HA VAL 12 -11.242 4.555 6.988 72 HB VAL 12 HB VAL 12 -12.771 5.452 8.730 73 1HG1 VAL 12 1HG1 VAL 12 -13.663 3.861 7.101 74 2HG1 VAL 12 2HG1 VAL 12 -14.444 3.625 8.667 75 3HG1 VAL 12 3HG1 VAL 12 -13.184 2.514 8.132 76 1HG2 VAL 12 1HG2 VAL 12 -11.952 3.023 10.329 77 2HG2 VAL 12 2HG2 VAL 12 -13.259 4.128 10.754 78 3HG2 VAL 12 3HG2 VAL 12 -11.593 4.704 10.727 79 H SER 13 H SER 13 -8.654 3.935 8.601 80 HA SER 13 HA SER 13 -8.164 6.681 9.451 81 1HB SER 13 1HB SER 13 -7.373 4.198 10.984 82 2HB SER 13 2HB SER 13 -7.055 5.861 11.471 83 HG SER 13 HG SER 13 -9.510 5.938 11.133 84 H LEU 14 H LEU 14 -5.774 7.076 9.570 85 HA LEU 14 HA LEU 14 -4.277 5.344 7.734 86 1HB LEU 14 1HB LEU 14 -4.234 8.368 7.863 87 2HB LEU 14 2HB LEU 14 -3.180 7.390 6.858 88 HG LEU 14 HG LEU 14 -6.186 7.545 6.594 89 1HD1 LEU 14 1HD1 LEU 14 -5.732 8.732 4.492 90 2HD1 LEU 14 2HD1 LEU 14 -4.013 8.716 4.866 91 3HD1 LEU 14 3HD1 LEU 14 -5.127 9.623 5.889 92 1HD2 LEU 14 1HD2 LEU 14 -5.844 6.334 4.508 93 2HD2 LEU 14 2HD2 LEU 14 -5.335 5.386 5.907 94 3HD2 LEU 14 3HD2 LEU 14 -4.129 6.167 4.875 95 H THR 15 H THR 15 -2.010 5.261 8.086 96 HA THR 15 HA THR 15 -1.398 5.398 10.902 97 HB THR 15 HB THR 15 -0.872 3.356 9.509 98 HG1 THR 15 HG1 THR 15 0.313 3.218 11.195 99 1HG2 THR 15 1HG2 THR 15 -0.061 4.486 7.480 100 2HG2 THR 15 2HG2 THR 15 1.163 3.388 8.120 101 3HG2 THR 15 3HG2 THR 15 1.313 5.123 8.384 102 H THR 16 H THR 16 0.820 6.030 11.512 103 HA THR 16 HA THR 16 1.858 8.311 9.993 104 HB THR 16 HB THR 16 2.698 9.147 12.266 105 HG1 THR 16 HG1 THR 16 0.704 7.346 13.210 106 1HG2 THR 16 1HG2 THR 16 -0.281 8.998 11.832 107 2HG2 THR 16 2HG2 THR 16 0.802 10.201 11.128 108 3HG2 THR 16 3HG2 THR 16 0.536 10.159 12.873 109 H GLN 17 H GLN 17 2.358 5.217 10.607 110 HA GLN 17 HA GLN 17 5.176 5.256 11.322 111 1HB GLN 17 1HB GLN 17 3.422 2.969 10.428 112 2HB GLN 17 2HB GLN 17 5.014 2.839 11.139 113 1HG GLN 17 1HG GLN 17 4.145 3.710 13.254 114 2HG GLN 17 2HG GLN 17 2.542 3.846 12.531 115 1HE2 GLN 17 1HE2 GLN 17 4.966 1.706 13.726 116 2HE2 GLN 17 2HE2 GLN 17 4.001 0.280 13.773 117 H ARG 18 H ARG 18 6.763 5.165 9.792 118 HA ARG 18 HA ARG 18 5.828 5.116 7.041 119 1HB ARG 18 1HB ARG 18 8.594 5.744 8.040 120 2HB ARG 18 2HB ARG 18 7.940 5.921 6.410 121 1HG ARG 18 1HG ARG 18 6.302 7.555 7.357 122 2HG ARG 18 2HG ARG 18 7.259 7.523 8.845 123 1HD ARG 18 1HD ARG 18 8.229 8.081 6.121 124 2HD ARG 18 2HD ARG 18 7.897 9.357 7.309 125 HE ARG 18 HE ARG 18 9.681 7.739 8.560 126 1HH1 ARG 18 1HH1 ARG 18 9.772 9.408 5.437 127 2HH1 ARG 18 2HH1 ARG 18 11.464 9.518 5.365 128 1HH2 ARG 18 1HH2 ARG 18 12.082 7.922 8.471 129 2HH2 ARG 18 2HH2 ARG 18 12.801 8.663 7.136 130 H LEU 19 H LEU 19 5.908 3.227 6.042 131 HA LEU 19 HA LEU 19 7.836 1.252 6.951 132 1HB LEU 19 1HB LEU 19 5.333 0.898 5.292 133 2HB LEU 19 2HB LEU 19 6.483 -0.380 5.584 134 HG LEU 19 HG LEU 19 5.964 -0.162 8.039 135 1HD1 LEU 19 1HD1 LEU 19 3.700 1.561 7.071 136 2HD1 LEU 19 2HD1 LEU 19 5.066 2.075 8.062 137 3HD1 LEU 19 3HD1 LEU 19 3.895 0.920 8.706 138 1HD2 LEU 19 1HD2 LEU 19 3.853 -1.366 7.880 139 2HD2 LEU 19 2HD2 LEU 19 5.035 -1.923 6.693 140 3HD2 LEU 19 3HD2 LEU 19 3.705 -0.875 6.192 141 HA PRO 20 HA PRO 20 10.100 2.049 3.127 142 1HB PRO 20 1HB PRO 20 11.952 0.140 3.545 143 2HB PRO 20 2HB PRO 20 12.014 1.686 4.404 144 1HG PRO 20 1HG PRO 20 11.065 -0.983 5.354 145 2HG PRO 20 2HG PRO 20 11.995 0.247 6.222 146 1HD PRO 20 1HD PRO 20 9.317 -0.115 6.554 147 2HD PRO 20 2HD PRO 20 10.115 1.454 6.780 148 H CYS 21 H CYS 21 10.653 0.926 1.268 149 HA CYS 21 HA CYS 21 8.509 -0.634 0.413 150 1HB CYS 21 1HB CYS 21 11.148 -0.138 -0.926 151 2HB CYS 21 2HB CYS 21 9.719 -0.855 -1.657 152 H SER 22 H SER 22 11.350 -1.593 1.994 153 HA SER 22 HA SER 22 11.616 -4.202 1.014 154 1HB SER 22 1HB SER 22 12.726 -4.537 3.251 155 2HB SER 22 2HB SER 22 13.363 -3.189 2.301 156 HG SER 22 HG SER 22 13.026 -2.478 4.372 157 H ARG 23 H ARG 23 9.489 -2.686 3.318 158 HA ARG 23 HA ARG 23 8.419 -5.274 4.167 159 1HB ARG 23 1HB ARG 23 7.825 -2.506 5.216 160 2HB ARG 23 2HB ARG 23 7.247 -4.012 5.912 161 1HG ARG 23 1HG ARG 23 9.534 -4.677 6.409 162 2HG ARG 23 2HG ARG 23 10.131 -3.185 5.685 163 1HD ARG 23 1HD ARG 23 8.807 -1.919 7.372 164 2HD ARG 23 2HD ARG 23 8.392 -3.450 8.130 165 HE ARG 23 HE ARG 23 11.021 -3.630 8.092 166 1HH1 ARG 23 1HH1 ARG 23 8.907 -0.986 9.165 167 2HH1 ARG 23 2HH1 ARG 23 10.061 -0.306 10.225 168 1HH2 ARG 23 1HH2 ARG 23 12.591 -2.689 9.608 169 2HH2 ARG 23 2HH2 ARG 23 12.156 -1.286 10.475 170 H ILE 24 H ILE 24 7.819 -2.769 2.015 171 HA ILE 24 HA ILE 24 4.958 -3.018 1.898 172 HB ILE 24 HB ILE 24 6.850 -1.693 -0.139 173 1HG1 ILE 24 1HG1 ILE 24 6.706 -0.730 2.247 174 2HG1 ILE 24 2HG1 ILE 24 6.399 0.375 0.908 175 1HG2 ILE 24 1HG2 ILE 24 4.849 -0.690 -1.052 176 2HG2 ILE 24 2HG2 ILE 24 3.889 -1.628 0.115 177 3HG2 ILE 24 3HG2 ILE 24 4.797 -2.463 -1.112 178 1HD1 ILE 24 1HD1 ILE 24 4.047 0.165 1.311 179 2HD1 ILE 24 2HD1 ILE 24 4.880 0.737 2.746 180 3HD1 ILE 24 3HD1 ILE 24 4.319 -0.952 2.652 181 H LYS 25 H LYS 25 3.889 -4.534 0.838 182 HA LYS 25 HA LYS 25 5.376 -6.329 -0.942 183 1HB LYS 25 1HB LYS 25 4.018 -7.049 1.084 184 2HB LYS 25 2HB LYS 25 2.602 -6.594 0.180 185 1HG LYS 25 1HG LYS 25 4.542 -8.745 -0.718 186 2HG LYS 25 2HG LYS 25 3.065 -9.067 0.174 187 1HD LYS 25 1HD LYS 25 1.760 -8.135 -1.695 188 2HD LYS 25 2HD LYS 25 3.259 -7.814 -2.572 189 1HE LYS 25 1HE LYS 25 3.780 -10.197 -2.557 190 2HE LYS 25 2HE LYS 25 2.295 -10.528 -1.673 191 1HZ LYS 25 1HZ LYS 25 2.472 -9.391 -4.412 192 2HZ LYS 25 2HZ LYS 25 1.038 -9.708 -3.586 193 3HZ LYS 25 3HZ LYS 25 2.055 -10.972 -4.020 194 H THR 26 H THR 26 2.377 -4.411 -0.707 195 HA THR 26 HA THR 26 2.463 -3.680 -3.435 196 HB THR 26 HB THR 26 1.508 -5.995 -3.622 197 HG1 THR 26 HG1 THR 26 0.841 -4.523 -5.120 198 1HG2 THR 26 1HG2 THR 26 0.405 -6.160 -1.459 199 2HG2 THR 26 2HG2 THR 26 -0.757 -6.447 -2.755 200 3HG2 THR 26 3HG2 THR 26 -0.730 -4.893 -1.922 201 H TYR 27 H TYR 27 0.496 -2.269 -3.860 202 HA TYR 27 HA TYR 27 -0.634 -1.264 -1.348 203 1HB TYR 27 1HB TYR 27 -0.371 1.063 -2.039 204 2HB TYR 27 2HB TYR 27 1.197 0.344 -2.053 205 HD1 TYR 27 HD1 TYR 27 -1.577 1.483 -4.106 206 HD2 TYR 27 HD2 TYR 27 2.441 0.175 -4.075 207 HE1 TYR 27 HE1 TYR 27 -1.374 2.262 -6.350 208 HE2 TYR 27 HE2 TYR 27 2.708 0.982 -6.413 209 HH TYR 27 HH TYR 27 0.518 2.995 -7.954 210 H THR 28 H THR 28 -2.565 0.009 -1.686 211 HA THR 28 HA THR 28 -3.999 -0.455 -4.197 212 HB THR 28 HB THR 28 -5.264 -0.834 -1.496 213 HG1 THR 28 HG1 THR 28 -3.565 -2.398 -2.087 214 1HG2 THR 28 1HG2 THR 28 -6.109 -1.637 -4.289 215 2HG2 THR 28 2HG2 THR 28 -6.784 -0.311 -3.340 216 3HG2 THR 28 3HG2 THR 28 -7.011 -1.980 -2.815 217 H ILE 29 H ILE 29 -4.584 1.618 -4.779 218 HA ILE 29 HA ILE 29 -4.940 3.556 -2.624 219 HB ILE 29 HB ILE 29 -4.775 4.030 -5.627 220 1HG1 ILE 29 1HG1 ILE 29 -2.705 4.573 -3.454 221 2HG1 ILE 29 2HG1 ILE 29 -2.605 3.315 -4.664 222 1HG2 ILE 29 1HG2 ILE 29 -4.862 6.023 -3.354 223 2HG2 ILE 29 2HG2 ILE 29 -6.146 5.733 -4.526 224 3HG2 ILE 29 3HG2 ILE 29 -4.607 6.417 -5.055 225 1HD1 ILE 29 1HD1 ILE 29 -2.618 6.263 -5.163 226 2HD1 ILE 29 2HD1 ILE 29 -2.488 5.011 -6.406 227 3HD1 ILE 29 3HD1 ILE 29 -1.210 5.204 -5.197 228 H THR 30 H THR 30 -6.896 4.297 -2.071 229 HA THR 30 HA THR 30 -9.134 3.288 -3.619 230 HB THR 30 HB THR 30 -10.487 3.853 -1.589 231 HG1 THR 30 HG1 THR 30 -9.495 5.258 -0.363 232 1HG2 THR 30 1HG2 THR 30 -9.638 2.013 -0.190 233 2HG2 THR 30 2HG2 THR 30 -8.122 2.031 -1.094 234 3HG2 THR 30 3HG2 THR 30 -9.620 1.579 -1.899 235 H GLU 31 H GLU 31 -10.796 4.667 -4.248 236 HA GLU 31 HA GLU 31 -10.377 7.527 -3.954 237 1HB GLU 31 1HB GLU 31 -9.281 6.685 -6.090 238 2HB GLU 31 2HB GLU 31 -10.840 6.085 -6.588 239 1HG GLU 31 1HG GLU 31 -10.172 8.996 -6.147 240 2HG GLU 31 2HG GLU 31 -10.135 8.185 -7.700 241 H GLY 32 H GLY 32 -12.344 8.470 -3.591 242 1HA GLY 32 1HA GLY 32 -14.745 8.207 -4.523 243 2HA GLY 32 2HA GLY 32 -14.647 6.697 -3.624 244 H SER 33 H SER 33 -14.608 6.725 -1.415 245 HA SER 33 HA SER 33 -15.831 9.085 -0.302 246 1HB SER 33 1HB SER 33 -15.180 6.414 0.971 247 2HB SER 33 2HB SER 33 -16.197 7.684 1.659 248 HG SER 33 HG SER 33 -16.937 7.044 -0.859 249 H LEU 34 H LEU 34 -12.852 7.214 0.055 250 HA LEU 34 HA LEU 34 -11.557 9.543 1.194 251 1HB LEU 34 1HB LEU 34 -12.317 8.292 3.156 252 2HB LEU 34 2HB LEU 34 -11.590 6.826 2.523 253 HG LEU 34 HG LEU 34 -9.405 7.848 2.771 254 1HD1 LEU 34 1HD1 LEU 34 -9.156 9.895 4.136 255 2HD1 LEU 34 2HD1 LEU 34 -10.906 10.104 4.106 256 3HD1 LEU 34 3HD1 LEU 34 -9.979 10.199 2.607 257 1HD2 LEU 34 1HD2 LEU 34 -11.070 7.783 5.283 258 2HD2 LEU 34 2HD2 LEU 34 -9.310 7.710 5.231 259 3HD2 LEU 34 3HD2 LEU 34 -10.267 6.411 4.520 260 H ARG 35 H ARG 35 -9.753 9.814 0.068 261 HA ARG 35 HA ARG 35 -8.593 7.670 -1.460 262 1HB ARG 35 1HB ARG 35 -7.691 10.508 -0.998 263 2HB ARG 35 2HB ARG 35 -6.759 9.355 -1.930 264 1HG ARG 35 1HG ARG 35 -8.585 9.179 -3.534 265 2HG ARG 35 2HG ARG 35 -9.533 10.337 -2.593 266 1HD ARG 35 1HD ARG 35 -7.826 12.031 -2.908 267 2HD ARG 35 2HD ARG 35 -6.815 10.884 -3.771 268 HE ARG 35 HE ARG 35 -9.161 10.957 -5.164 269 1HH1 ARG 35 1HH1 ARG 35 -6.839 13.423 -4.120 270 2HH1 ARG 35 2HH1 ARG 35 -6.988 14.361 -5.537 271 1HH2 ARG 35 1HH2 ARG 35 -9.345 12.286 -7.131 272 2HH2 ARG 35 2HH2 ARG 35 -8.429 13.726 -7.234 273 H ALA 36 H ALA 36 -7.526 6.149 -0.446 274 HA ALA 36 HA ALA 36 -5.433 6.932 1.416 275 1HB ALA 36 1HB ALA 36 -6.061 5.050 2.864 276 2HB ALA 36 2HB ALA 36 -7.483 4.761 1.862 277 3HB ALA 36 3HB ALA 36 -7.340 6.258 2.782 278 H VAL 37 H VAL 37 -3.612 5.612 1.188 279 HA VAL 37 HA VAL 37 -3.967 3.544 -0.788 280 HB VAL 37 HB VAL 37 -2.321 5.176 -1.529 281 1HG1 VAL 37 1HG1 VAL 37 -1.645 6.105 0.585 282 2HG1 VAL 37 2HG1 VAL 37 -0.249 5.544 -0.352 283 3HG1 VAL 37 3HG1 VAL 37 -0.843 4.586 1.001 284 1HG2 VAL 37 1HG2 VAL 37 -1.915 2.872 -2.135 285 2HG2 VAL 37 2HG2 VAL 37 -1.008 2.624 -0.639 286 3HG2 VAL 37 3HG2 VAL 37 -0.387 3.718 -1.874 287 H ILE 38 H ILE 38 -4.096 1.677 -0.082 288 HA ILE 38 HA ILE 38 -3.214 1.080 2.620 289 HB ILE 38 HB ILE 38 -4.964 -0.552 0.748 290 1HG1 ILE 38 1HG1 ILE 38 -5.640 1.082 3.208 291 2HG1 ILE 38 2HG1 ILE 38 -6.068 1.479 1.549 292 1HG2 ILE 38 1HG2 ILE 38 -4.256 -1.053 3.644 293 2HG2 ILE 38 2HG2 ILE 38 -3.704 -1.998 2.264 294 3HG2 ILE 38 3HG2 ILE 38 -5.416 -1.986 2.693 295 1HD1 ILE 38 1HD1 ILE 38 -7.503 -0.505 1.458 296 2HD1 ILE 38 2HD1 ILE 38 -7.963 0.573 2.783 297 3HD1 ILE 38 3HD1 ILE 38 -7.054 -0.896 3.117 298 H PHE 39 H PHE 39 -1.332 0.359 2.840 299 HA PHE 39 HA PHE 39 0.001 -1.089 0.708 300 1HB PHE 39 1HB PHE 39 0.984 0.188 3.224 301 2HB PHE 39 2HB PHE 39 1.971 -0.912 2.280 302 HD1 PHE 39 HD1 PHE 39 0.883 2.445 2.675 303 HD2 PHE 39 HD2 PHE 39 2.333 -0.377 -0.124 304 HE1 PHE 39 HE1 PHE 39 1.609 4.266 1.201 305 HE2 PHE 39 HE2 PHE 39 3.068 1.424 -1.597 306 HZ PHE 39 HZ PHE 39 2.729 3.696 -0.979 307 H ILE 40 H ILE 40 0.228 -3.135 0.781 308 HA ILE 40 HA ILE 40 -0.585 -4.457 3.236 309 HB ILE 40 HB ILE 40 0.021 -5.808 0.594 310 1HG1 ILE 40 1HG1 ILE 40 -1.730 -4.154 0.166 311 2HG1 ILE 40 2HG1 ILE 40 -2.385 -5.776 0.121 312 1HG2 ILE 40 1HG2 ILE 40 -1.454 -7.558 1.568 313 2HG2 ILE 40 2HG2 ILE 40 -1.633 -6.520 3.001 314 3HG2 ILE 40 3HG2 ILE 40 -0.060 -7.201 2.607 315 1HD1 ILE 40 1HD1 ILE 40 -2.644 -3.849 2.444 316 2HD1 ILE 40 2HD1 ILE 40 -3.292 -5.483 2.383 317 3HD1 ILE 40 3HD1 ILE 40 -3.913 -4.252 1.285 318 H THR 41 H THR 41 0.836 -5.513 4.376 319 HA THR 41 HA THR 41 3.636 -5.203 3.758 320 HB THR 41 HB THR 41 3.916 -6.366 5.986 321 HG1 THR 41 HG1 THR 41 1.130 -5.967 6.227 322 1HG2 THR 41 1HG2 THR 41 3.892 -3.919 5.812 323 2HG2 THR 41 2HG2 THR 41 3.109 -4.449 7.302 324 3HG2 THR 41 3HG2 THR 41 2.135 -3.928 5.925 325 H LYS 42 H LYS 42 5.047 -7.233 4.198 326 HA LYS 42 HA LYS 42 4.186 -9.271 2.393 327 1HB LYS 42 1HB LYS 42 6.623 -9.154 4.166 328 2HB LYS 42 2HB LYS 42 6.369 -10.310 2.865 329 1HG LYS 42 1HG LYS 42 6.290 -8.481 1.243 330 2HG LYS 42 2HG LYS 42 6.553 -7.324 2.541 331 1HD LYS 42 1HD LYS 42 8.443 -9.505 1.685 332 2HD LYS 42 2HD LYS 42 8.616 -7.784 1.324 333 1HE LYS 42 1HE LYS 42 8.704 -7.371 3.793 334 2HE LYS 42 2HE LYS 42 8.725 -9.115 4.028 335 1HZ LYS 42 1HZ LYS 42 10.729 -7.534 2.537 336 2HZ LYS 42 2HZ LYS 42 10.782 -9.205 2.708 337 3HZ LYS 42 3HZ LYS 42 10.949 -8.203 4.061 338 H ARG 43 H ARG 43 3.670 -8.691 5.581 339 HA ARG 43 HA ARG 43 3.377 -11.451 6.420 340 1HB ARG 43 1HB ARG 43 2.414 -8.933 7.790 341 2HB ARG 43 2HB ARG 43 2.542 -10.530 8.509 342 1HG ARG 43 1HG ARG 43 5.013 -10.405 8.197 343 2HG ARG 43 2HG ARG 43 4.802 -8.745 7.637 344 1HD ARG 43 1HD ARG 43 5.387 -8.762 9.994 345 2HD ARG 43 2HD ARG 43 3.727 -8.184 9.787 346 HE ARG 43 HE ARG 43 4.078 -11.008 10.272 347 1HH1 ARG 43 1HH1 ARG 43 3.293 -7.871 11.754 348 2HH1 ARG 43 2HH1 ARG 43 2.556 -8.587 13.112 349 1HH2 ARG 43 1HH2 ARG 43 3.083 -11.931 12.107 350 2HH2 ARG 43 2HH2 ARG 43 2.441 -10.935 13.330 351 H GLY 44 H GLY 44 1.675 -9.329 4.504 352 1HA GLY 44 1HA GLY 44 -0.333 -9.683 3.441 353 2HA GLY 44 2HA GLY 44 -0.710 -10.955 4.587 354 H LEU 45 H LEU 45 0.311 -8.203 6.173 355 HA LEU 45 HA LEU 45 -2.435 -7.602 7.055 356 1HB LEU 45 1HB LEU 45 0.210 -6.560 8.016 357 2HB LEU 45 2HB LEU 45 -1.355 -6.223 8.726 358 HG LEU 45 HG LEU 45 -0.020 -8.900 8.609 359 1HD1 LEU 45 1HD1 LEU 45 -0.544 -6.988 10.853 360 2HD1 LEU 45 2HD1 LEU 45 1.038 -7.334 10.143 361 3HD1 LEU 45 3HD1 LEU 45 0.169 -8.592 11.045 362 1HD2 LEU 45 1HD2 LEU 45 -2.425 -9.104 8.505 363 2HD2 LEU 45 2HD2 LEU 45 -2.602 -8.036 9.898 364 3HD2 LEU 45 3HD2 LEU 45 -1.846 -9.619 10.088 365 H LYS 46 H LYS 46 -3.304 -5.793 7.041 366 HA LYS 46 HA LYS 46 -2.684 -4.159 4.718 367 1HB LYS 46 1HB LYS 46 -5.081 -4.449 6.484 368 2HB LYS 46 2HB LYS 46 -4.985 -3.321 5.135 369 1HG LYS 46 1HG LYS 46 -4.876 -5.041 3.589 370 2HG LYS 46 2HG LYS 46 -4.534 -6.250 4.839 371 1HD LYS 46 1HD LYS 46 -6.594 -6.085 5.718 372 2HD LYS 46 2HD LYS 46 -7.068 -4.635 4.796 373 1HE LYS 46 1HE LYS 46 -6.856 -6.025 2.749 374 2HE LYS 46 2HE LYS 46 -6.588 -7.444 3.777 375 1HZ LYS 46 1HZ LYS 46 -8.793 -7.102 4.722 376 2HZ LYS 46 2HZ LYS 46 -8.902 -7.262 3.056 377 3HZ LYS 46 3HZ LYS 46 -9.022 -5.731 3.767 378 H VAL 47 H VAL 47 -1.603 -2.423 5.026 379 HA VAL 47 HA VAL 47 -1.965 -0.911 7.508 380 HB VAL 47 HB VAL 47 0.381 -0.837 5.559 381 1HG1 VAL 47 1HG1 VAL 47 0.067 0.600 8.197 382 2HG1 VAL 47 2HG1 VAL 47 0.048 1.348 6.602 383 3HG1 VAL 47 3HG1 VAL 47 1.522 0.579 7.200 384 1HG2 VAL 47 1HG2 VAL 47 1.676 -1.862 7.371 385 2HG2 VAL 47 2HG2 VAL 47 0.324 -2.883 6.873 386 3HG2 VAL 47 3HG2 VAL 47 0.215 -1.943 8.358 387 H CYS 48 H CYS 48 -2.364 1.404 7.261 388 HA CYS 48 HA CYS 48 -3.176 2.073 4.514 389 1HB CYS 48 1HB CYS 48 -4.571 2.839 7.083 390 2HB CYS 48 2HB CYS 48 -5.069 3.292 5.449 391 H ALA 49 H ALA 49 -2.377 3.880 3.731 392 HA ALA 49 HA ALA 49 -0.996 5.745 5.531 393 1HB ALA 49 1HB ALA 49 0.575 4.075 4.635 394 2HB ALA 49 2HB ALA 49 0.906 5.717 4.079 395 3HB ALA 49 3HB ALA 49 0.110 4.562 3.006 396 H ASP 50 H ASP 50 -0.612 7.755 4.761 397 HA ASP 50 HA ASP 50 -2.752 8.883 3.278 398 1HB ASP 50 1HB ASP 50 -0.170 9.918 4.378 399 2HB ASP 50 2HB ASP 50 -1.250 10.922 3.448 400 HA PRO 51 HA PRO 51 -0.725 8.329 -0.752 401 1HB PRO 51 1HB PRO 51 -2.904 10.239 -1.459 402 2HB PRO 51 2HB PRO 51 -2.494 8.686 -2.220 403 1HG PRO 51 1HG PRO 51 -4.640 8.905 -0.704 404 2HG PRO 51 2HG PRO 51 -3.600 7.477 -0.559 405 1HD PRO 51 1HD PRO 51 -3.760 9.888 1.210 406 2HD PRO 51 2HD PRO 51 -3.654 8.165 1.644 407 H GLN 52 H GLN 52 -1.308 11.127 1.121 408 HA GLN 52 HA GLN 52 0.140 12.920 -0.656 409 1HB GLN 52 1HB GLN 52 -1.267 13.403 1.967 410 2HB GLN 52 2HB GLN 52 -0.487 14.645 0.996 411 1HG GLN 52 1HG GLN 52 -2.024 14.269 -0.812 412 2HG GLN 52 2HG GLN 52 -2.765 12.922 0.049 413 1HE2 GLN 52 1HE2 GLN 52 -4.771 13.893 -0.031 414 2HE2 GLN 52 2HE2 GLN 52 -5.199 15.242 0.947 415 H ALA 53 H ALA 53 0.893 10.713 1.731 416 HA ALA 53 HA ALA 53 2.948 12.210 3.102 417 1HB ALA 53 1HB ALA 53 3.543 10.041 4.065 418 2HB ALA 53 2HB ALA 53 2.409 9.244 2.973 419 3HB ALA 53 3HB ALA 53 1.819 10.355 4.209 420 H THR 54 H THR 54 4.988 12.354 2.720 421 HA THR 54 HA THR 54 5.868 12.052 0.071 422 HB THR 54 HB THR 54 7.512 12.539 2.570 423 HG1 THR 54 HG1 THR 54 6.288 14.281 2.520 424 1HG2 THR 54 1HG2 THR 54 8.087 13.135 -0.343 425 2HG2 THR 54 2HG2 THR 54 8.885 11.895 0.629 426 3HG2 THR 54 3HG2 THR 54 9.112 13.600 1.016 427 H TRP 55 H TRP 55 6.278 10.090 2.947 428 HA TRP 55 HA TRP 55 8.306 8.435 1.789 429 1HB TRP 55 1HB TRP 55 8.022 6.909 3.676 430 2HB TRP 55 2HB TRP 55 8.009 8.570 4.232 431 HD1 TRP 55 HD1 TRP 55 5.735 9.451 5.202 432 HE1 TRP 55 HE1 TRP 55 3.648 8.204 6.199 433 HE3 TRP 55 HE3 TRP 55 6.656 4.936 3.357 434 HZ2 TRP 55 HZ2 TRP 55 2.637 5.663 6.173 435 HZ3 TRP 55 HZ3 TRP 55 5.080 3.043 3.838 436 HH2 TRP 55 HH2 TRP 55 3.103 3.415 5.220 437 H VAL 56 H VAL 56 4.910 8.420 1.876 438 HA VAL 56 HA VAL 56 4.411 5.870 0.775 439 HB VAL 56 HB VAL 56 2.799 8.399 0.971 440 1HG1 VAL 56 1HG1 VAL 56 2.074 7.207 -1.046 441 2HG1 VAL 56 2HG1 VAL 56 0.861 7.083 0.228 442 3HG1 VAL 56 3HG1 VAL 56 1.923 5.709 -0.124 443 1HG2 VAL 56 1HG2 VAL 56 3.201 7.212 3.026 444 2HG2 VAL 56 2HG2 VAL 56 2.581 5.723 2.312 445 3HG2 VAL 56 3HG2 VAL 56 1.507 7.104 2.560 446 H ARG 57 H ARG 57 4.461 9.116 -0.609 447 HA ARG 57 HA ARG 57 4.014 8.284 -3.220 448 1HB ARG 57 1HB ARG 57 5.409 10.757 -2.229 449 2HB ARG 57 2HB ARG 57 4.977 10.481 -3.920 450 1HG ARG 57 1HG ARG 57 2.666 10.170 -3.247 451 2HG ARG 57 2HG ARG 57 3.092 10.573 -1.594 452 1HD ARG 57 1HD ARG 57 3.790 12.803 -2.284 453 2HD ARG 57 2HD ARG 57 3.431 12.409 -3.969 454 HE ARG 57 HE ARG 57 1.157 11.887 -2.485 455 1HH1 ARG 57 1HH1 ARG 57 3.059 14.714 -3.391 456 2HH1 ARG 57 2HH1 ARG 57 1.738 15.786 -3.411 457 1HH2 ARG 57 1HH2 ARG 57 -0.673 13.342 -2.533 458 2HH2 ARG 57 2HH2 ARG 57 -0.437 14.983 -2.909 459 H ASP 58 H ASP 58 6.877 8.386 -1.415 460 HA ASP 58 HA ASP 58 8.632 7.847 -3.580 461 1HB ASP 58 1HB ASP 58 9.562 8.701 -1.539 462 2HB ASP 58 2HB ASP 58 8.953 7.327 -0.628 463 H CYS 59 H CYS 59 6.707 5.664 -1.516 464 HA CYS 59 HA CYS 59 8.095 3.370 -2.717 465 1HB CYS 59 1HB CYS 59 7.394 3.657 -0.253 466 2HB CYS 59 2HB CYS 59 5.856 3.080 -0.832 467 H VAL 60 H VAL 60 4.869 4.783 -2.507 468 HA VAL 60 HA VAL 60 3.513 2.730 -3.814 469 HB VAL 60 HB VAL 60 2.506 4.729 -2.516 470 1HG1 VAL 60 1HG1 VAL 60 3.624 6.495 -3.690 471 2HG1 VAL 60 2HG1 VAL 60 1.847 6.678 -3.790 472 3HG1 VAL 60 3HG1 VAL 60 2.764 6.023 -5.165 473 1HG2 VAL 60 1HG2 VAL 60 1.059 3.169 -3.634 474 2HG2 VAL 60 2HG2 VAL 60 1.197 4.077 -5.144 475 3HG2 VAL 60 3HG2 VAL 60 0.424 4.798 -3.734 476 H ARG 61 H ARG 61 5.594 5.207 -4.811 477 HA ARG 61 HA ARG 61 4.911 4.848 -7.652 478 1HB ARG 61 1HB ARG 61 6.894 6.792 -6.450 479 2HB ARG 61 2HB ARG 61 6.603 6.623 -8.170 480 1HG ARG 61 1HG ARG 61 4.614 7.543 -6.095 481 2HG ARG 61 2HG ARG 61 5.423 8.546 -7.297 482 1HD ARG 61 1HD ARG 61 3.447 6.322 -7.842 483 2HD ARG 61 2HD ARG 61 3.148 8.047 -7.984 484 HE ARG 61 HE ARG 61 5.322 7.392 -9.607 485 1HH1 ARG 61 1HH1 ARG 61 1.811 6.910 -9.471 486 2HH1 ARG 61 2HH1 ARG 61 1.647 6.692 -11.143 487 1HH2 ARG 61 1HH2 ARG 61 5.060 7.099 -11.925 488 2HH2 ARG 61 2HH2 ARG 61 3.517 6.796 -12.560 489 H SER 62 H SER 62 7.363 3.976 -5.380 490 HA SER 62 HA SER 62 9.311 3.104 -7.219 491 1HB SER 62 1HB SER 62 9.804 3.468 -4.811 492 2HB SER 62 2HB SER 62 8.759 2.112 -4.404 493 HG SER 62 HG SER 62 11.140 1.981 -5.960 494 H MET 63 H MET 63 6.483 1.561 -5.775 495 HA MET 63 HA MET 63 7.074 -0.973 -6.899 496 1HB MET 63 1HB MET 63 4.468 0.096 -5.824 497 2HB MET 63 2HB MET 63 4.709 -1.573 -6.333 498 1HG MET 63 1HG MET 63 6.125 -0.139 -4.100 499 2HG MET 63 2HG MET 63 4.921 -1.420 -3.949 500 1HE MET 63 1HE MET 63 7.774 -1.478 -2.504 501 2HE MET 63 2HE MET 63 8.265 -3.150 -2.779 502 3HE MET 63 3HE MET 63 6.598 -2.781 -2.341 503 H ASP 64 H ASP 64 5.274 1.776 -8.009 504 HA ASP 64 HA ASP 64 4.229 0.679 -10.400 505 1HB ASP 64 1HB ASP 64 3.540 2.892 -9.650 506 2HB ASP 64 2HB ASP 64 5.190 3.481 -9.742 507 H ARG 65 H ARG 65 7.239 2.206 -9.590 508 HA ARG 65 HA ARG 65 8.522 2.241 -12.058 509 1HB ARG 65 1HB ARG 65 9.152 3.548 -10.043 510 2HB ARG 65 2HB ARG 65 9.692 2.082 -9.271 511 1HG ARG 65 1HG ARG 65 10.995 2.761 -11.834 512 2HG ARG 65 2HG ARG 65 11.292 3.866 -10.500 513 1HD ARG 65 1HD ARG 65 13.084 2.291 -10.489 514 2HD ARG 65 2HD ARG 65 12.025 1.849 -9.159 515 HE ARG 65 HE ARG 65 11.406 0.417 -11.517 516 1HH1 ARG 65 1HH1 ARG 65 13.694 0.506 -8.798 517 2HH1 ARG 65 2HH1 ARG 65 14.152 -1.124 -8.936 518 1HH2 ARG 65 1HH2 ARG 65 12.040 -1.819 -11.717 519 2HH2 ARG 65 2HH2 ARG 65 13.175 -2.486 -10.656 520 H LYS 66 H LYS 66 8.080 -0.335 -9.772 521 HA LYS 66 HA LYS 66 10.143 -2.074 -10.642 522 1HB LYS 66 1HB LYS 66 7.481 -2.817 -9.404 523 2HB LYS 66 2HB LYS 66 8.857 -3.896 -9.567 524 1HG LYS 66 1HG LYS 66 8.776 -1.373 -7.923 525 2HG LYS 66 2HG LYS 66 8.641 -3.017 -7.292 526 1HD LYS 66 1HD LYS 66 10.905 -3.491 -8.080 527 2HD LYS 66 2HD LYS 66 11.016 -1.865 -8.763 528 1HE LYS 66 1HE LYS 66 12.166 -1.932 -6.635 529 2HE LYS 66 2HE LYS 66 10.731 -0.921 -6.520 530 1HZ LYS 66 1HZ LYS 66 9.577 -2.789 -5.409 531 2HZ LYS 66 2HZ LYS 66 10.994 -2.336 -4.600 532 3HZ LYS 66 3HZ LYS 66 10.987 -3.712 -5.541 533 H SER 67 H SER 67 7.227 -1.171 -12.158 534 HA SER 67 HA SER 67 7.005 -3.518 -13.791 535 1HB SER 67 1HB SER 67 5.012 -2.180 -13.181 536 2HB SER 67 2HB SER 67 5.691 -0.783 -14.006 537 HG SER 67 HG SER 67 4.409 -3.001 -15.004 538 H ASN 68 H ASN 68 6.799 -2.800 -16.303 539 HA ASN 68 HA ASN 68 9.498 -2.309 -17.121 540 1HB ASN 68 1HB ASN 68 8.628 -2.615 -19.447 541 2HB ASN 68 2HB ASN 68 8.253 -3.939 -18.355 542 1HD2 ASN 68 1HD2 ASN 68 6.557 -4.612 -19.638 543 2HD2 ASN 68 2HD2 ASN 68 5.055 -3.769 -19.731 544 H THR 69 H THR 69 7.610 -0.104 -16.043 545 HA THR 69 HA THR 69 7.730 1.885 -18.087 546 HB THR 69 HB THR 69 5.884 1.907 -16.499 547 HG1 THR 69 HG1 THR 69 6.984 4.204 -15.559 548 1HG2 THR 69 1HG2 THR 69 6.269 2.494 -14.137 549 2HG2 THR 69 2HG2 THR 69 8.015 2.447 -14.487 550 3HG2 THR 69 3HG2 THR 69 7.049 0.979 -14.639 551 H ARG 70 H ARG 70 9.843 0.589 -15.935 552 HA ARG 70 HA ARG 70 11.925 0.980 -15.088 553 1HB ARG 70 1HB ARG 70 13.590 1.957 -16.572 554 2HB ARG 70 2HB ARG 70 12.472 1.002 -17.525 555 1HG ARG 70 1HG ARG 70 11.367 3.010 -18.293 556 2HG ARG 70 2HG ARG 70 12.390 4.000 -17.255 557 1HD ARG 70 1HD ARG 70 14.353 3.232 -18.545 558 2HD ARG 70 2HD ARG 70 13.264 2.336 -19.612 559 HE ARG 70 HE ARG 70 12.282 4.859 -19.573 560 1HH1 ARG 70 1HH1 ARG 70 15.365 3.399 -20.538 561 2HH1 ARG 70 2HH1 ARG 70 15.758 4.612 -21.660 562 1HH2 ARG 70 1HH2 ARG 70 12.814 6.521 -21.122 563 2HH2 ARG 70 2HH2 ARG 70 14.258 6.432 -22.017 564 H ASN 71 H ASN 71 13.658 2.982 -14.975 565 HA ASN 71 HA ASN 71 12.356 5.450 -14.098 566 1HB ASN 71 1HB ASN 71 12.550 4.063 -12.052 567 2HB ASN 71 2HB ASN 71 14.281 3.906 -12.338 568 1HD2 ASN 71 1HD2 ASN 71 15.655 5.686 -11.879 569 2HD2 ASN 71 2HD2 ASN 71 15.078 7.055 -11.026 570 H ASN 72 H ASN 72 15.198 3.558 -14.837 571 HA ASN 72 HA ASN 72 17.134 3.941 -15.766 572 1HB ASN 72 1HB ASN 72 16.033 5.422 -17.431 573 2HB ASN 72 2HB ASN 72 16.176 6.779 -16.321 574 1HD2 ASN 72 1HD2 ASN 72 17.357 7.920 -17.884 575 2HD2 ASN 72 2HD2 ASN 72 19.016 7.553 -18.221 576 H MET 73 H MET 73 18.664 3.754 -14.447 577 HA MET 73 HA MET 73 20.187 4.034 -12.854 578 1HB MET 73 1HB MET 73 20.618 6.353 -13.511 579 2HB MET 73 2HB MET 73 19.192 6.897 -12.638 580 1HG MET 73 1HG MET 73 20.248 6.216 -10.524 581 2HG MET 73 2HG MET 73 21.682 5.713 -11.419 582 1HE MET 73 1HE MET 73 22.853 8.952 -9.547 583 2HE MET 73 2HE MET 73 23.163 7.241 -9.826 584 3HE MET 73 3HE MET 73 21.711 7.745 -8.953 585 H ILE 74 H ILE 74 20.077 3.102 -10.958 586 HA ILE 74 HA ILE 74 17.539 2.983 -9.688 587 HB ILE 74 HB ILE 74 18.662 1.456 -8.035 588 1HG1 ILE 74 1HG1 ILE 74 21.054 1.782 -9.868 589 2HG1 ILE 74 2HG1 ILE 74 20.956 2.360 -8.211 590 1HG2 ILE 74 1HG2 ILE 74 18.959 -0.399 -9.620 591 2HG2 ILE 74 2HG2 ILE 74 18.907 0.758 -10.953 592 3HG2 ILE 74 3HG2 ILE 74 17.497 0.537 -9.913 593 1HD1 ILE 74 1HD1 ILE 74 20.857 -0.520 -9.089 594 2HD1 ILE 74 2HD1 ILE 74 20.782 0.058 -7.425 595 3HD1 ILE 74 3HD1 ILE 74 22.243 0.305 -8.378 596 H GLN 75 H GLN 75 16.805 4.312 -8.278 597 HA GLN 75 HA GLN 75 18.597 5.605 -6.400 598 1HB GLN 75 1HB GLN 75 17.495 7.830 -6.887 599 2HB GLN 75 2HB GLN 75 18.492 7.209 -8.187 600 1HG GLN 75 1HG GLN 75 16.423 6.371 -9.301 601 2HG GLN 75 2HG GLN 75 15.482 7.167 -8.044 602 1HE2 GLN 75 1HE2 GLN 75 14.447 8.520 -9.513 603 2HE2 GLN 75 2HE2 GLN 75 15.255 9.797 -10.328
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