NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11979 | 1sb6 | 6172 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 7.674 2.165 11.413 2 2H MET 1 H2 MET 1 8.935 2.252 12.483 3 3H MET 1 H3 MET 1 8.021 3.596 12.119 4 HA MET 1 HA MET 1 10.068 3.751 10.920 5 1HB MET 1 2HB MET 1 10.387 1.230 10.965 6 2HB MET 1 3HB MET 1 9.175 1.105 9.686 7 1HG MET 1 2HG MET 1 10.683 2.491 8.212 8 2HG MET 1 3HG MET 1 11.871 2.519 9.525 9 1HE MET 1 1HE MET 1 13.458 0.159 6.822 10 2HE MET 1 2HE MET 1 12.457 1.600 6.525 11 3HE MET 1 3HE MET 1 13.691 1.618 7.813 12 H THR 2 H THR 2 9.973 4.628 8.630 13 HA THR 2 HA THR 2 7.194 4.801 7.582 14 HB THR 2 HB THR 2 8.061 6.968 8.330 15 HG1 THR 2 1HG THR 2 6.603 6.797 6.585 16 1HG2 THR 2 1HG2 THR 2 10.102 6.760 6.078 17 2HG2 THR 2 2HG2 THR 2 9.802 8.138 7.142 18 3HG2 THR 2 3HG2 THR 2 10.503 6.653 7.807 19 H ILE 3 H ILE 3 6.882 3.732 5.767 20 HA ILE 3 HA ILE 3 9.164 2.786 4.078 21 HB ILE 3 HB ILE 3 6.458 1.583 4.815 22 1HG1 ILE 3 2HG1 ILE 3 7.823 -0.463 5.244 23 2HG1 ILE 3 3HG1 ILE 3 9.297 0.483 5.012 24 1HG2 ILE 3 1HG2 ILE 3 7.041 -0.241 3.164 25 2HG2 ILE 3 2HG2 ILE 3 6.581 1.294 2.453 26 3HG2 ILE 3 3HG2 ILE 3 8.301 0.833 2.524 27 1HD1 ILE 3 1HD1 ILE 3 8.557 0.041 7.402 28 2HD1 ILE 3 2HD1 ILE 3 8.832 1.740 7.031 29 3HD1 ILE 3 3HD1 ILE 3 7.168 1.110 7.118 30 H GLN 4 H GLN 4 9.261 4.393 2.506 31 HA GLN 4 HA GLN 4 6.707 5.397 1.393 32 1HB GLN 4 2HB GLN 4 8.950 6.883 2.164 33 2HB GLN 4 3HB GLN 4 9.089 6.791 0.398 34 1HG GLN 4 2HG GLN 4 6.595 7.386 0.289 35 2HG GLN 4 3HG GLN 4 6.696 7.651 2.037 36 1HE2 GLN 4 1HE2 GLN 4 8.220 9.401 2.772 37 2HE2 GLN 4 2HE2 GLN 4 8.427 10.797 1.732 38 H LEU 5 H LEU 5 6.008 4.259 -0.270 39 HA LEU 5 HA LEU 5 7.982 3.095 -2.220 40 1HB LEU 5 2HB LEU 5 5.129 2.197 -1.739 41 2HB LEU 5 3HB LEU 5 6.352 1.393 -2.713 42 HG LEU 5 HG LEU 5 6.393 1.725 0.310 43 1HD1 LEU 5 1HD1 LEU 5 5.946 -0.713 -1.451 44 2HD1 LEU 5 2HD1 LEU 5 6.071 -0.723 0.321 45 3HD1 LEU 5 3HD1 LEU 5 4.722 0.122 -0.465 46 1HD2 LEU 5 1HD2 LEU 5 8.686 1.724 -0.501 47 2HD2 LEU 5 2HD2 LEU 5 8.345 0.131 0.186 48 3HD2 LEU 5 3HD2 LEU 5 8.355 0.345 -1.576 49 H THR 6 H THR 6 7.275 3.008 -4.446 50 HA THR 6 HA THR 6 5.527 5.282 -5.261 51 HB THR 6 HB THR 6 8.158 4.306 -6.390 52 HG1 THR 6 1HG THR 6 7.109 6.772 -5.449 53 1HG2 THR 6 1HG2 THR 6 6.759 4.599 -8.341 54 2HG2 THR 6 2HG2 THR 6 6.084 6.121 -7.703 55 3HG2 THR 6 3HG2 THR 6 7.797 6.016 -8.183 56 H VAL 7 H VAL 7 3.736 4.623 -6.188 57 HA VAL 7 HA VAL 7 3.556 1.855 -7.307 58 HB VAL 7 HB VAL 7 2.372 1.836 -5.360 59 1HG1 VAL 7 1HG1 VAL 7 2.219 4.108 -4.664 60 2HG1 VAL 7 2HG1 VAL 7 1.147 4.525 -6.009 61 3HG1 VAL 7 3HG1 VAL 7 0.590 3.441 -4.714 62 1HG2 VAL 7 1HG2 VAL 7 1.209 0.921 -7.385 63 2HG2 VAL 7 2HG2 VAL 7 0.205 1.253 -5.966 64 3HG2 VAL 7 3HG2 VAL 7 0.185 2.367 -7.337 65 HA PRO 8 HA PRO 8 2.988 4.815 -10.708 66 1HB PRO 8 2HB PRO 8 3.777 3.238 -12.802 67 2HB PRO 8 3HB PRO 8 4.945 4.019 -11.693 68 1HG PRO 8 2HG PRO 8 3.912 1.180 -11.568 69 2HG PRO 8 3HG PRO 8 5.605 1.734 -11.462 70 1HD PRO 8 2HD PRO 8 4.091 1.181 -9.281 71 2HD PRO 8 3HD PRO 8 5.317 2.484 -9.251 72 H THR 9 H THR 9 1.791 1.512 -10.284 73 HA THR 9 HA THR 9 -0.430 2.085 -12.087 74 HB THR 9 HB THR 9 0.910 -0.081 -12.013 75 HG1 THR 9 1HG THR 9 -0.843 0.254 -13.351 76 1HG2 THR 9 1HG2 THR 9 -1.221 -0.823 -9.986 77 2HG2 THR 9 2HG2 THR 9 -0.134 -1.880 -10.833 78 3HG2 THR 9 3HG2 THR 9 0.536 -0.703 -9.656 79 H ILE 10 H ILE 10 -0.119 3.555 -9.326 80 HA ILE 10 HA ILE 10 -2.396 3.010 -7.940 81 HB ILE 10 HB ILE 10 -0.653 5.281 -8.343 82 1HG1 ILE 10 2HG1 ILE 10 -2.776 4.516 -6.346 83 2HG1 ILE 10 3HG1 ILE 10 -1.078 4.070 -6.306 84 1HG2 ILE 10 1HG2 ILE 10 -2.082 7.183 -8.182 85 2HG2 ILE 10 2HG2 ILE 10 -2.551 6.285 -9.632 86 3HG2 ILE 10 3HG2 ILE 10 -3.539 6.180 -8.151 87 1HD1 ILE 10 1HD1 ILE 10 -0.511 6.529 -6.008 88 2HD1 ILE 10 2HD1 ILE 10 -2.258 6.831 -5.868 89 3HD1 ILE 10 3HD1 ILE 10 -1.438 5.817 -4.675 90 H ALA 11 H ALA 11 -4.502 4.095 -7.929 91 HA ALA 11 HA ALA 11 -6.520 4.511 -8.738 92 1HB ALA 11 1HB ALA 11 -6.987 5.398 -10.880 93 2HB ALA 11 2HB ALA 11 -5.510 6.153 -10.256 94 3HB ALA 11 3HB ALA 11 -5.418 4.910 -11.529 95 H CYS 12 H CYS 12 -4.550 2.134 -10.444 96 HA CYS 12 HA CYS 12 -6.717 0.574 -11.499 97 1HB CYS 12 2HB CYS 12 -4.319 0.570 -12.280 98 2HB CYS 12 3HB CYS 12 -3.884 -0.206 -10.746 99 HG CYS 12 HG CYS 12 -5.938 -1.237 -13.117 100 H GLU 13 H GLU 13 -7.688 -1.220 -10.637 101 HA GLU 13 HA GLU 13 -8.460 -2.784 -9.348 102 1HB GLU 13 2HB GLU 13 -5.685 -3.131 -9.299 103 2HB GLU 13 3HB GLU 13 -6.137 -3.325 -7.609 104 1HG GLU 13 2HG GLU 13 -7.403 -4.813 -9.959 105 2HG GLU 13 3HG GLU 13 -6.158 -5.449 -8.881 106 H ALA 14 H ALA 14 -9.762 -1.030 -8.612 107 HA ALA 14 HA ALA 14 -10.733 0.401 -7.158 108 1HB ALA 14 1HB ALA 14 -11.082 -0.374 -4.864 109 2HB ALA 14 2HB ALA 14 -11.272 -1.716 -6.008 110 3HB ALA 14 3HB ALA 14 -9.792 -1.576 -5.041 111 H CYS 15 H CYS 15 -7.713 0.687 -7.775 112 HA CYS 15 HA CYS 15 -6.227 2.274 -7.395 113 1HB CYS 15 2HB CYS 15 -7.722 3.488 -5.057 114 2HB CYS 15 3HB CYS 15 -6.562 4.226 -6.157 115 HG CYS 15 HG CYS 15 -8.319 3.613 -8.273 116 H ALA 16 H ALA 16 -4.405 2.602 -6.111 117 HA ALA 16 HA ALA 16 -3.530 0.390 -4.695 118 1HB ALA 16 1HB ALA 16 -2.494 3.224 -4.341 119 2HB ALA 16 2HB ALA 16 -1.629 1.723 -3.958 120 3HB ALA 16 3HB ALA 16 -2.040 2.085 -5.643 121 H GLU 17 H GLU 17 -5.409 3.077 -3.325 122 HA GLU 17 HA GLU 17 -4.887 2.607 -0.606 123 1HB GLU 17 2HB GLU 17 -7.049 3.616 -0.172 124 2HB GLU 17 3HB GLU 17 -6.116 4.527 -1.351 125 1HG GLU 17 2HG GLU 17 -7.864 4.479 -2.762 126 2HG GLU 17 3HG GLU 17 -7.738 2.714 -2.877 127 H ALA 18 H ALA 18 -6.663 0.572 -2.895 128 HA ALA 18 HA ALA 18 -7.994 -1.220 -1.255 129 1HB ALA 18 1HB ALA 18 -6.133 -1.849 -3.591 130 2HB ALA 18 2HB ALA 18 -7.384 -2.922 -2.931 131 3HB ALA 18 3HB ALA 18 -7.845 -1.394 -3.704 132 H VAL 19 H VAL 19 -4.395 -1.080 -1.842 133 HA VAL 19 HA VAL 19 -3.928 -3.409 -0.251 134 HB VAL 19 HB VAL 19 -2.234 -2.276 -1.885 135 1HG1 VAL 19 1HG1 VAL 19 -0.501 -0.946 -0.845 136 2HG1 VAL 19 2HG1 VAL 19 -2.012 -0.076 -0.568 137 3HG1 VAL 19 3HG1 VAL 19 -1.268 -1.023 0.742 138 1HG2 VAL 19 1HG2 VAL 19 -0.417 -3.234 -0.183 139 2HG2 VAL 19 2HG2 VAL 19 -1.794 -3.667 0.776 140 3HG2 VAL 19 3HG2 VAL 19 -1.663 -4.324 -0.854 141 H THR 20 H THR 20 -4.111 0.063 0.469 142 HA THR 20 HA THR 20 -3.124 -0.036 3.149 143 HB THR 20 HB THR 20 -4.970 1.866 1.670 144 HG1 THR 20 1HG THR 20 -2.649 1.811 1.453 145 1HG2 THR 20 1HG2 THR 20 -5.950 1.953 3.828 146 2HG2 THR 20 2HG2 THR 20 -4.359 1.892 4.610 147 3HG2 THR 20 3HG2 THR 20 -4.850 3.329 3.666 148 H LYS 21 H LYS 21 -6.447 -0.498 1.844 149 HA LYS 21 HA LYS 21 -7.534 -0.929 4.488 150 1HB LYS 21 2HB LYS 21 -8.763 -1.747 1.831 151 2HB LYS 21 3HB LYS 21 -9.585 -1.565 3.400 152 1HG LYS 21 2HG LYS 21 -8.740 0.833 3.474 153 2HG LYS 21 3HG LYS 21 -8.129 0.582 1.834 154 1HD LYS 21 2HD LYS 21 -10.392 0.200 0.993 155 2HD LYS 21 3HD LYS 21 -11.056 0.561 2.612 156 1HE LYS 21 2HE LYS 21 -10.169 2.832 2.567 157 2HE LYS 21 3HE LYS 21 -9.102 2.449 1.214 158 1HZ LYS 21 1HZ LYS 21 -10.732 3.694 0.355 159 2HZ LYS 21 2HZ LYS 21 -10.885 2.256 -0.237 160 3HZ LYS 21 3HZ LYS 21 -12.008 2.750 0.920 161 H ALA 22 H ALA 22 -6.363 -3.164 1.958 162 HA ALA 22 HA ALA 22 -6.986 -5.590 3.330 163 1HB ALA 22 1HB ALA 22 -6.179 -5.550 1.012 164 2HB ALA 22 2HB ALA 22 -4.581 -4.998 1.566 165 3HB ALA 22 3HB ALA 22 -5.176 -6.598 2.043 166 H VAL 23 H VAL 23 -3.906 -3.776 3.349 167 HA VAL 23 HA VAL 23 -2.528 -5.321 5.255 168 HB VAL 23 HB VAL 23 -2.274 -2.424 4.366 169 1HG1 VAL 23 1HG1 VAL 23 -1.021 -2.660 6.520 170 2HG1 VAL 23 2HG1 VAL 23 -0.161 -4.060 5.817 171 3HG1 VAL 23 3HG1 VAL 23 0.045 -2.462 5.109 172 1HG2 VAL 23 1HG2 VAL 23 -0.498 -4.809 3.675 173 2HG2 VAL 23 2HG2 VAL 23 -1.951 -4.457 2.750 174 3HG2 VAL 23 3HG2 VAL 23 -0.651 -3.250 2.838 175 H GLN 24 H GLN 24 -4.636 -2.423 5.697 176 HA GLN 24 HA GLN 24 -4.365 -2.173 8.482 177 1HB GLN 24 2HB GLN 24 -6.688 -1.615 6.635 178 2HB GLN 24 3HB GLN 24 -6.706 -1.183 8.341 179 1HG GLN 24 2HG GLN 24 -4.312 -0.295 6.742 180 2HG GLN 24 3HG GLN 24 -5.849 0.498 6.414 181 1HE2 GLN 24 1HE2 GLN 24 -3.101 0.905 8.088 182 2HE2 GLN 24 2HE2 GLN 24 -3.705 1.847 9.431 183 H ASN 25 H ASN 25 -5.982 -4.821 6.742 184 HA ASN 25 HA ASN 25 -7.728 -5.531 8.973 185 1HB ASN 25 2HB ASN 25 -6.616 -7.213 6.679 186 2HB ASN 25 3HB ASN 25 -7.562 -7.856 7.999 187 1HD2 ASN 25 1HD2 ASN 25 -7.934 -4.942 5.765 188 2HD2 ASN 25 2HD2 ASN 25 -9.616 -5.325 5.486 189 H GLU 26 H GLU 26 -4.437 -6.539 7.912 190 HA GLU 26 HA GLU 26 -3.999 -8.182 10.273 191 1HB GLU 26 2HB GLU 26 -2.205 -7.198 8.032 192 2HB GLU 26 3HB GLU 26 -1.710 -8.356 9.286 193 1HG GLU 26 2HG GLU 26 -3.437 -9.933 8.495 194 2HG GLU 26 3HG GLU 26 -3.983 -8.766 7.277 195 H ASP 27 H ASP 27 -2.476 -5.176 9.022 196 HA ASP 27 HA ASP 27 -1.430 -4.591 11.728 197 1HB ASP 27 2HB ASP 27 0.173 -4.433 9.807 198 2HB ASP 27 3HB ASP 27 -0.768 -3.089 9.158 199 H ALA 28 H ALA 28 -3.566 -4.241 12.480 200 HA ALA 28 HA ALA 28 -5.256 -2.115 11.439 201 1HB ALA 28 1HB ALA 28 -6.586 -2.601 13.443 202 2HB ALA 28 2HB ALA 28 -6.086 -4.109 12.634 203 3HB ALA 28 3HB ALA 28 -5.235 -3.562 14.103 204 H GLN 29 H GLN 29 -2.324 -2.024 13.136 205 HA GLN 29 HA GLN 29 -3.009 0.541 14.496 206 1HB GLN 29 2HB GLN 29 -1.114 0.171 15.873 207 2HB GLN 29 3HB GLN 29 -2.204 -1.205 15.986 208 1HG GLN 29 2HG GLN 29 -0.706 -2.559 14.601 209 2HG GLN 29 3HG GLN 29 0.310 -1.149 14.249 210 1HE2 GLN 29 1HE2 GLN 29 -1.027 -2.809 17.181 211 2HE2 GLN 29 2HE2 GLN 29 0.488 -2.724 18.067 212 H ALA 30 H ALA 30 -2.007 -0.361 11.501 213 HA ALA 30 HA ALA 30 0.362 1.287 11.289 214 1HB ALA 30 1HB ALA 30 -0.044 0.997 8.815 215 2HB ALA 30 2HB ALA 30 0.063 -0.516 9.716 216 3HB ALA 30 3HB ALA 30 -1.519 0.090 9.217 217 H THR 31 H THR 31 0.585 3.321 10.438 218 HA THR 31 HA THR 31 -1.864 4.971 9.947 219 HB THR 31 HB THR 31 0.994 5.757 10.626 220 HG1 THR 31 1HG THR 31 0.039 6.453 12.520 221 1HG2 THR 31 1HG2 THR 31 -1.463 7.494 10.077 222 2HG2 THR 31 2HG2 THR 31 0.087 8.082 10.708 223 3HG2 THR 31 3HG2 THR 31 0.002 7.427 9.070 224 H VAL 32 H VAL 32 -2.024 5.909 7.867 225 HA VAL 32 HA VAL 32 -0.168 4.885 5.779 226 HB VAL 32 HB VAL 32 -2.139 4.082 4.534 227 1HG1 VAL 32 1HG1 VAL 32 -2.016 2.786 7.287 228 2HG1 VAL 32 2HG1 VAL 32 -2.417 2.017 5.744 229 3HG1 VAL 32 3HG1 VAL 32 -0.770 2.581 6.042 230 1HG2 VAL 32 1HG2 VAL 32 -3.679 4.828 7.074 231 2HG2 VAL 32 2HG2 VAL 32 -3.988 5.350 5.404 232 3HG2 VAL 32 3HG2 VAL 32 -4.280 3.682 5.899 233 H GLN 33 H GLN 33 0.266 6.447 4.262 234 HA GLN 33 HA GLN 33 -1.643 8.713 3.922 235 1HB GLN 33 2HB GLN 33 1.317 8.894 4.601 236 2HB GLN 33 3HB GLN 33 0.332 10.239 4.003 237 1HG GLN 33 2HG GLN 33 -1.125 10.039 6.014 238 2HG GLN 33 3HG GLN 33 -0.168 8.663 6.578 239 1HE2 GLN 33 1HE2 GLN 33 0.360 12.101 5.565 240 2HE2 GLN 33 2HE2 GLN 33 1.556 12.390 6.817 241 H VAL 34 H VAL 34 -2.257 7.925 1.947 242 HA VAL 34 HA VAL 34 -0.179 7.403 -0.105 243 HB VAL 34 HB VAL 34 -1.607 5.505 0.241 244 1HG1 VAL 34 1HG1 VAL 34 -3.987 7.322 -0.261 245 2HG1 VAL 34 2HG1 VAL 34 -4.026 5.551 -0.204 246 3HG1 VAL 34 3HG1 VAL 34 -3.588 6.468 1.241 247 1HG2 VAL 34 1HG2 VAL 34 -2.367 5.150 -2.020 248 2HG2 VAL 34 2HG2 VAL 34 -2.428 6.892 -2.341 249 3HG2 VAL 34 3HG2 VAL 34 -0.869 6.095 -2.070 250 H ASP 35 H ASP 35 -0.067 8.642 -1.940 251 HA ASP 35 HA ASP 35 -1.732 11.123 -1.806 252 1HB ASP 35 2HB ASP 35 0.884 10.982 -1.426 253 2HB ASP 35 3HB ASP 35 0.925 11.023 -3.201 254 H LEU 36 H LEU 36 -3.419 10.084 -2.997 255 HA LEU 36 HA LEU 36 -3.043 8.846 -5.541 256 1HB LEU 36 2HB LEU 36 -5.536 10.159 -4.381 257 2HB LEU 36 3HB LEU 36 -5.447 9.289 -5.913 258 HG LEU 36 HG LEU 36 -4.523 7.285 -4.540 259 1HD1 LEU 36 1HD1 LEU 36 -4.281 8.412 -2.343 260 2HD1 LEU 36 2HD1 LEU 36 -5.999 8.856 -2.368 261 3HD1 LEU 36 3HD1 LEU 36 -5.515 7.153 -2.261 262 1HD2 LEU 36 1HD2 LEU 36 -7.432 8.178 -4.386 263 2HD2 LEU 36 2HD2 LEU 36 -6.669 7.311 -5.736 264 3HD2 LEU 36 3HD2 LEU 36 -6.847 6.516 -4.166 265 H THR 37 H THR 37 -3.044 12.219 -4.639 266 HA THR 37 HA THR 37 -3.369 13.627 -6.939 267 HB THR 37 HB THR 37 -0.949 13.867 -5.122 268 HG1 THR 37 1HG THR 37 -2.167 13.971 -3.494 269 1HG2 THR 37 1HG2 THR 37 -2.855 15.953 -6.264 270 2HG2 THR 37 2HG2 THR 37 -1.462 16.269 -5.207 271 3HG2 THR 37 3HG2 THR 37 -1.203 15.620 -6.837 272 H SER 38 H SER 38 -0.798 11.219 -6.261 273 HA SER 38 HA SER 38 0.115 11.503 -9.044 274 1HB SER 38 2HB SER 38 1.991 11.926 -6.680 275 2HB SER 38 3HB SER 38 2.491 11.706 -8.378 276 HG SER 38 HG SER 38 0.610 13.578 -8.315 277 H LYS 39 H LYS 39 2.246 9.828 -6.852 278 HA LYS 39 HA LYS 39 1.069 7.217 -7.498 279 1HB LYS 39 2HB LYS 39 2.895 6.581 -9.022 280 2HB LYS 39 3HB LYS 39 1.881 7.870 -9.658 281 1HG LYS 39 2HG LYS 39 3.708 9.499 -8.708 282 2HG LYS 39 3HG LYS 39 4.727 8.066 -8.604 283 1HD LYS 39 2HD LYS 39 3.303 9.095 -11.110 284 2HD LYS 39 3HD LYS 39 4.982 9.465 -10.680 285 1HE LYS 39 2HE LYS 39 5.530 7.013 -10.744 286 2HE LYS 39 3HE LYS 39 3.862 6.690 -11.251 287 1HZ LYS 39 1HZ LYS 39 5.780 8.299 -12.783 288 2HZ LYS 39 2HZ LYS 39 5.364 6.742 -13.097 289 3HZ LYS 39 3HZ LYS 39 4.238 7.928 -13.233 290 H LYS 40 H LYS 40 1.919 8.535 -4.982 291 HA LYS 40 HA LYS 40 4.090 6.652 -4.235 292 1HB LYS 40 2HB LYS 40 5.235 8.271 -2.952 293 2HB LYS 40 3HB LYS 40 4.960 8.968 -4.545 294 1HG LYS 40 2HG LYS 40 4.468 10.728 -3.159 295 2HG LYS 40 3HG LYS 40 2.874 10.106 -3.509 296 1HD LYS 40 2HD LYS 40 2.496 9.397 -1.357 297 2HD LYS 40 3HD LYS 40 4.152 8.874 -1.081 298 1HE LYS 40 2HE LYS 40 3.235 11.787 -1.090 299 2HE LYS 40 3HE LYS 40 3.419 10.779 0.350 300 1HZ LYS 40 1HZ LYS 40 5.584 11.521 -1.507 301 2HZ LYS 40 2HZ LYS 40 5.364 12.088 0.015 302 3HZ LYS 40 3HZ LYS 40 5.798 10.519 -0.246 303 H VAL 41 H VAL 41 4.038 5.886 -2.123 304 HA VAL 41 HA VAL 41 1.689 6.573 -0.493 305 HB VAL 41 HB VAL 41 0.954 4.619 -1.721 306 1HG1 VAL 41 1HG1 VAL 41 3.173 3.662 -2.351 307 2HG1 VAL 41 2HG1 VAL 41 3.394 3.149 -0.661 308 3HG1 VAL 41 3HG1 VAL 41 2.085 2.464 -1.636 309 1HG2 VAL 41 1HG2 VAL 41 0.449 4.841 0.759 310 2HG2 VAL 41 2HG2 VAL 41 0.378 3.180 0.129 311 3HG2 VAL 41 3HG2 VAL 41 1.779 3.722 1.068 312 H THR 42 H THR 42 2.148 6.795 1.627 313 HA THR 42 HA THR 42 4.842 5.917 2.543 314 HB THR 42 HB THR 42 3.066 8.174 3.561 315 HG1 THR 42 1HG THR 42 4.501 9.551 2.592 316 1HG2 THR 42 1HG2 THR 42 5.940 7.397 4.216 317 2HG2 THR 42 2HG2 THR 42 5.130 8.873 4.782 318 3HG2 THR 42 3HG2 THR 42 4.541 7.288 5.301 319 H ILE 43 H ILE 43 4.544 4.081 3.733 320 HA ILE 43 HA ILE 43 2.079 3.772 5.416 321 HB ILE 43 HB ILE 43 4.200 1.778 4.575 322 1HG1 ILE 43 2HG1 ILE 43 2.714 2.434 2.690 323 2HG1 ILE 43 3HG1 ILE 43 2.526 0.758 3.150 324 1HG2 ILE 43 1HG2 ILE 43 1.717 1.381 6.266 325 2HG2 ILE 43 2HG2 ILE 43 2.640 0.062 5.507 326 3HG2 ILE 43 3HG2 ILE 43 3.413 1.108 6.704 327 1HD1 ILE 43 1HD1 ILE 43 0.596 2.987 3.906 328 2HD1 ILE 43 2HD1 ILE 43 0.367 1.760 2.653 329 3HD1 ILE 43 3HD1 ILE 43 0.432 1.267 4.347 330 H THR 44 H THR 44 2.326 3.942 7.590 331 HA THR 44 HA THR 44 5.075 4.181 8.716 332 HB THR 44 HB THR 44 2.646 5.919 9.169 333 HG1 THR 44 1HG THR 44 5.326 6.506 8.502 334 1HG2 THR 44 1HG2 THR 44 4.066 7.106 10.857 335 2HG2 THR 44 2HG2 THR 44 3.617 5.483 11.395 336 3HG2 THR 44 3HG2 THR 44 5.252 5.786 10.767 337 H SER 45 H SER 45 5.236 2.168 9.504 338 HA SER 45 HA SER 45 3.453 1.342 11.718 339 1HB SER 45 2HB SER 45 3.250 -0.925 10.595 340 2HB SER 45 3HB SER 45 2.347 0.347 9.796 341 HG SER 45 HG SER 45 3.925 -1.165 8.615 342 H ALA 46 H ALA 46 4.379 -0.965 12.436 343 HA ALA 46 HA ALA 46 7.310 -0.688 12.825 344 1HB ALA 46 1HB ALA 46 6.992 -2.438 14.505 345 2HB ALA 46 2HB ALA 46 5.896 -1.071 14.794 346 3HB ALA 46 3HB ALA 46 5.274 -2.573 14.072 347 H LEU 47 H LEU 47 4.908 -2.719 11.188 348 HA LEU 47 HA LEU 47 6.990 -4.370 9.868 349 1HB LEU 47 2HB LEU 47 5.616 -6.276 9.938 350 2HB LEU 47 3HB LEU 47 5.745 -5.703 11.596 351 HG LEU 47 HG LEU 47 3.418 -4.484 11.014 352 1HD1 LEU 47 1HD1 LEU 47 3.434 -5.307 8.579 353 2HD1 LEU 47 2HD1 LEU 47 3.363 -6.957 9.219 354 3HD1 LEU 47 3HD1 LEU 47 2.040 -5.817 9.528 355 1HD2 LEU 47 1HD2 LEU 47 2.233 -6.492 11.842 356 2HD2 LEU 47 2HD2 LEU 47 3.706 -7.456 11.604 357 3HD2 LEU 47 3HD2 LEU 47 3.686 -6.131 12.792 358 H GLY 48 H GLY 48 6.698 -4.098 7.675 359 1HA GLY 48 2HA GLY 48 4.203 -2.876 6.660 360 2HA GLY 48 3HA GLY 48 5.639 -1.828 6.646 361 H GLU 49 H GLU 49 7.622 -2.920 5.741 362 HA GLU 49 HA GLU 49 7.244 -3.272 3.033 363 1HB GLU 49 2HB GLU 49 9.368 -2.764 4.383 364 2HB GLU 49 3HB GLU 49 9.626 -4.510 4.476 365 1HG GLU 49 2HG GLU 49 9.278 -2.928 1.879 366 2HG GLU 49 3HG GLU 49 10.838 -3.237 2.645 367 H GLU 50 H GLU 50 7.803 -5.858 5.389 368 HA GLU 50 HA GLU 50 7.665 -8.144 3.803 369 1HB GLU 50 2HB GLU 50 7.415 -7.357 6.680 370 2HB GLU 50 3HB GLU 50 6.521 -8.800 6.322 371 1HG GLU 50 2HG GLU 50 8.559 -9.817 5.305 372 2HG GLU 50 3HG GLU 50 9.463 -8.331 5.657 373 H GLN 51 H GLN 51 5.005 -6.595 5.633 374 HA GLN 51 HA GLN 51 3.131 -8.538 4.718 375 1HB GLN 51 2HB GLN 51 3.230 -6.955 6.850 376 2HB GLN 51 3HB GLN 51 2.247 -5.870 5.846 377 1HG GLN 51 2HG GLN 51 0.646 -7.760 5.505 378 2HG GLN 51 3HG GLN 51 1.732 -8.816 6.436 379 1HE2 GLN 51 1HE2 GLN 51 -0.073 -5.717 6.794 380 2HE2 GLN 51 2HE2 GLN 51 -0.352 -5.906 8.515 381 H LEU 52 H LEU 52 3.795 -5.149 3.812 382 HA LEU 52 HA LEU 52 1.919 -4.768 1.781 383 1HB LEU 52 2HB LEU 52 4.795 -3.850 2.120 384 2HB LEU 52 3HB LEU 52 3.781 -3.265 0.807 385 HG LEU 52 HG LEU 52 2.864 -3.022 3.683 386 1HD1 LEU 52 1HD1 LEU 52 3.923 -0.880 3.849 387 2HD1 LEU 52 2HD1 LEU 52 5.172 -2.007 3.332 388 3HD1 LEU 52 3HD1 LEU 52 4.442 -0.916 2.148 389 1HD2 LEU 52 1HD2 LEU 52 1.260 -2.647 1.729 390 2HD2 LEU 52 2HD2 LEU 52 1.465 -1.257 2.801 391 3HD2 LEU 52 3HD2 LEU 52 2.289 -1.301 1.224 392 H ARG 53 H ARG 53 5.185 -6.330 1.567 393 HA ARG 53 HA ARG 53 5.323 -6.863 -1.103 394 1HB ARG 53 2HB ARG 53 6.613 -7.785 1.223 395 2HB ARG 53 3HB ARG 53 5.932 -9.241 0.581 396 1HG ARG 53 2HG ARG 53 8.048 -9.140 -0.376 397 2HG ARG 53 3HG ARG 53 7.043 -8.499 -1.692 398 1HD ARG 53 2HD ARG 53 7.630 -6.142 -0.904 399 2HD ARG 53 3HD ARG 53 8.451 -6.846 0.468 400 HE ARG 53 HE ARG 53 10.297 -7.034 -0.640 401 1HH1 ARG 53 2HH2 ARG 53 7.768 -6.507 -2.972 402 2HH1 ARG 53 1HH2 ARG 53 8.798 -6.429 -4.368 403 1HH2 ARG 53 2HH1 ARG 53 11.705 -7.308 -2.487 404 2HH2 ARG 53 1HH1 ARG 53 11.109 -6.959 -4.083 405 H THR 54 H THR 54 3.802 -9.107 1.261 406 HA THR 54 HA THR 54 2.736 -10.795 -0.750 407 HB THR 54 HB THR 54 1.873 -10.560 2.163 408 HG1 THR 54 1HG THR 54 3.653 -11.854 2.572 409 1HG2 THR 54 1HG2 THR 54 0.525 -12.145 0.789 410 2HG2 THR 54 2HG2 THR 54 2.019 -12.928 0.229 411 3HG2 THR 54 3HG2 THR 54 1.553 -13.017 1.940 412 H ALA 55 H ALA 55 1.208 -8.285 1.318 413 HA ALA 55 HA ALA 55 -1.466 -8.768 0.492 414 1HB ALA 55 1HB ALA 55 -0.896 -7.512 2.526 415 2HB ALA 55 2HB ALA 55 -0.211 -6.199 1.543 416 3HB ALA 55 3HB ALA 55 -1.950 -6.562 1.465 417 H ILE 56 H ILE 56 0.811 -6.191 -0.571 418 HA ILE 56 HA ILE 56 -0.608 -5.229 -2.811 419 HB ILE 56 HB ILE 56 2.396 -5.663 -2.580 420 1HG1 ILE 56 2HG1 ILE 56 0.725 -3.136 -2.139 421 2HG1 ILE 56 3HG1 ILE 56 1.389 -4.126 -0.831 422 1HG2 ILE 56 1HG2 ILE 56 0.891 -3.782 -4.411 423 2HG2 ILE 56 2HG2 ILE 56 2.643 -4.120 -4.348 424 3HG2 ILE 56 3HG2 ILE 56 1.560 -5.335 -4.963 425 1HD1 ILE 56 1HD1 ILE 56 2.998 -2.527 -2.839 426 2HD1 ILE 56 2HD1 ILE 56 2.810 -2.243 -1.113 427 3HD1 ILE 56 3HD1 ILE 56 3.690 -3.681 -1.676 428 H ALA 57 H ALA 57 1.815 -7.982 -2.803 429 HA ALA 57 HA ALA 57 1.483 -8.554 -5.515 430 1HB ALA 57 1HB ALA 57 2.376 -10.804 -4.978 431 2HB ALA 57 2HB ALA 57 3.284 -9.520 -4.161 432 3HB ALA 57 3HB ALA 57 2.111 -10.501 -3.250 433 H SER 58 H SER 58 -0.517 -9.676 -2.783 434 HA SER 58 HA SER 58 -2.097 -11.547 -4.178 435 1HB SER 58 2HB SER 58 -2.056 -11.098 -1.670 436 2HB SER 58 3HB SER 58 -3.122 -9.712 -1.981 437 HG SER 58 HG SER 58 -4.491 -11.324 -3.109 438 H ALA 59 H ALA 59 -2.226 -7.997 -4.222 439 HA ALA 59 HA ALA 59 -4.768 -7.949 -5.754 440 1HB ALA 59 1HB ALA 59 -4.392 -5.504 -5.716 441 2HB ALA 59 2HB ALA 59 -4.415 -6.214 -4.089 442 3HB ALA 59 3HB ALA 59 -2.869 -5.762 -4.832 443 H GLY 60 H GLY 60 -1.271 -7.429 -6.162 444 1HA GLY 60 2HA GLY 60 0.011 -7.906 -8.039 445 2HA GLY 60 3HA GLY 60 -1.446 -8.106 -9.018 446 H HIS 61 H HIS 61 0.318 -5.555 -7.203 447 HA HIS 61 HA HIS 61 -0.225 -3.622 -9.430 448 1HB HIS 61 2HB HIS 61 0.451 -3.210 -6.515 449 2HB HIS 61 3HB HIS 61 0.632 -1.931 -7.714 450 HD1 HIS 61 1HD HIS 61 -1.417 -0.400 -7.947 451 HD2 HIS 61 2HD HIS 61 -2.165 -4.146 -6.203 452 HE1 HIS 61 1HE HIS 61 -3.763 -0.283 -7.023 453 H GLU 62 H GLU 62 1.480 -2.740 -10.521 454 HA GLU 62 HA GLU 62 4.072 -3.971 -10.444 455 1HB GLU 62 2HB GLU 62 3.070 -1.566 -12.042 456 2HB GLU 62 3HB GLU 62 4.444 -2.611 -12.426 457 1HG GLU 62 2HG GLU 62 1.508 -3.485 -12.438 458 2HG GLU 62 3HG GLU 62 2.499 -3.096 -13.840 459 H VAL 63 H VAL 63 3.827 -2.868 -8.013 460 HA VAL 63 HA VAL 63 5.148 -0.207 -7.946 461 HB VAL 63 HB VAL 63 3.180 -0.236 -6.753 462 1HG1 VAL 63 1HG1 VAL 63 3.921 -2.871 -5.570 463 2HG1 VAL 63 2HG1 VAL 63 2.575 -1.830 -4.990 464 3HG1 VAL 63 3HG1 VAL 63 2.546 -2.446 -6.627 465 1HG2 VAL 63 1HG2 VAL 63 5.161 0.669 -5.391 466 2HG2 VAL 63 2HG2 VAL 63 3.777 0.154 -4.424 467 3HG2 VAL 63 3HG2 VAL 63 5.205 -0.888 -4.556 468 H GLU 64 H GLU 64 7.007 0.188 -6.873 469 HA GLU 64 HA GLU 64 8.886 -2.070 -6.721 470 1HB GLU 64 2HB GLU 64 10.592 -0.326 -6.675 471 2HB GLU 64 3HB GLU 64 9.498 -0.142 -8.050 472 1HG GLU 64 2HG GLU 64 8.255 1.619 -6.540 473 2HG GLU 64 3HG GLU 64 9.725 1.576 -5.574 Start of MODEL 2 1 1H MET 1 H1 MET 1 8.070 2.030 10.828 2 2H MET 1 H2 MET 1 9.372 2.263 11.827 3 3H MET 1 H3 MET 1 8.205 3.429 11.647 4 HA MET 1 HA MET 1 10.021 4.131 10.379 5 1HB MET 1 2HB MET 1 10.419 1.335 10.008 6 2HB MET 1 3HB MET 1 10.026 1.960 8.404 7 1HG MET 1 2HG MET 1 11.792 3.762 8.799 8 2HG MET 1 3HG MET 1 12.272 2.857 10.242 9 1HE MET 1 1HE MET 1 13.166 0.293 10.093 10 2HE MET 1 2HE MET 1 11.851 -0.227 9.003 11 3HE MET 1 3HE MET 1 13.542 -0.507 8.549 12 H THR 2 H THR 2 9.624 5.240 8.319 13 HA THR 2 HA THR 2 6.800 5.204 7.464 14 HB THR 2 HB THR 2 7.590 7.344 6.395 15 HG1 THR 2 1HG THR 2 9.792 6.706 6.303 16 1HG2 THR 2 1HG2 THR 2 7.819 8.607 8.500 17 2HG2 THR 2 2HG2 THR 2 6.539 7.390 8.634 18 3HG2 THR 2 3HG2 THR 2 8.116 7.110 9.400 19 H ILE 3 H ILE 3 6.713 3.351 6.091 20 HA ILE 3 HA ILE 3 8.874 2.848 4.187 21 HB ILE 3 HB ILE 3 6.179 1.507 4.598 22 1HG1 ILE 3 2HG1 ILE 3 7.491 1.330 6.651 23 2HG1 ILE 3 3HG1 ILE 3 7.336 -0.218 5.836 24 1HG2 ILE 3 1HG2 ILE 3 6.965 0.959 2.425 25 2HG2 ILE 3 2HG2 ILE 3 8.617 0.667 2.998 26 3HG2 ILE 3 3HG2 ILE 3 7.296 -0.433 3.456 27 1HD1 ILE 3 1HD1 ILE 3 9.819 1.554 5.806 28 2HD1 ILE 3 2HD1 ILE 3 9.589 0.052 6.712 29 3HD1 ILE 3 3HD1 ILE 3 9.656 0.004 4.947 30 H GLN 4 H GLN 4 8.925 4.619 2.867 31 HA GLN 4 HA GLN 4 6.611 5.482 1.278 32 1HB GLN 4 2HB GLN 4 9.441 6.406 1.677 33 2HB GLN 4 3HB GLN 4 8.651 6.778 0.137 34 1HG GLN 4 2HG GLN 4 6.790 7.834 1.212 35 2HG GLN 4 3HG GLN 4 7.385 7.386 2.819 36 1HE2 GLN 4 1HE2 GLN 4 8.376 9.182 -0.159 37 2HE2 GLN 4 2HE2 GLN 4 9.229 10.444 0.718 38 H LEU 5 H LEU 5 5.954 4.135 -0.267 39 HA LEU 5 HA LEU 5 7.961 2.995 -2.193 40 1HB LEU 5 2HB LEU 5 5.120 2.026 -1.825 41 2HB LEU 5 3HB LEU 5 6.460 1.241 -2.662 42 HG LEU 5 HG LEU 5 6.204 1.616 0.356 43 1HD1 LEU 5 1HD1 LEU 5 5.889 -0.840 -1.414 44 2HD1 LEU 5 2HD1 LEU 5 5.884 -0.838 0.361 45 3HD1 LEU 5 3HD1 LEU 5 4.600 0.006 -0.529 46 1HD2 LEU 5 1HD2 LEU 5 8.274 0.080 -1.281 47 2HD2 LEU 5 2HD2 LEU 5 8.582 1.576 -0.377 48 3HD2 LEU 5 3HD2 LEU 5 8.160 0.090 0.484 49 H THR 6 H THR 6 7.042 2.849 -4.433 50 HA THR 6 HA THR 6 5.005 4.910 -5.058 51 HB THR 6 HB THR 6 7.775 4.688 -6.071 52 HG1 THR 6 1HG THR 6 5.746 6.682 -6.178 53 1HG2 THR 6 1HG2 THR 6 7.209 5.588 -8.306 54 2HG2 THR 6 2HG2 THR 6 6.752 3.893 -8.125 55 3HG2 THR 6 3HG2 THR 6 5.506 5.167 -8.056 56 H VAL 7 H VAL 7 3.444 4.353 -6.255 57 HA VAL 7 HA VAL 7 3.159 1.571 -7.369 58 HB VAL 7 HB VAL 7 1.787 1.806 -5.492 59 1HG1 VAL 7 1HG1 VAL 7 0.773 4.500 -6.450 60 2HG1 VAL 7 2HG1 VAL 7 0.140 3.559 -5.092 61 3HG1 VAL 7 3HG1 VAL 7 1.778 4.183 -5.021 62 1HG2 VAL 7 1HG2 VAL 7 0.780 0.896 -7.643 63 2HG2 VAL 7 2HG2 VAL 7 -0.326 1.340 -6.329 64 3HG2 VAL 7 3HG2 VAL 7 -0.111 2.430 -7.700 65 HA PRO 8 HA PRO 8 3.454 4.619 -10.686 66 1HB PRO 8 2HB PRO 8 4.236 2.917 -12.728 67 2HB PRO 8 3HB PRO 8 5.362 3.647 -11.546 68 1HG PRO 8 2HG PRO 8 4.125 0.890 -11.464 69 2HG PRO 8 3HG PRO 8 5.825 1.342 -11.178 70 1HD PRO 8 2HD PRO 8 4.077 0.921 -9.160 71 2HD PRO 8 3HD PRO 8 5.341 2.172 -9.023 72 H THR 9 H THR 9 2.050 1.410 -10.643 73 HA THR 9 HA THR 9 -0.066 2.084 -12.556 74 HB THR 9 HB THR 9 1.434 0.129 -12.760 75 HG1 THR 9 1HG THR 9 -1.338 -0.398 -12.383 76 1HG2 THR 9 1HG2 THR 9 1.071 -1.879 -11.603 77 2HG2 THR 9 2HG2 THR 9 1.653 -0.641 -10.466 78 3HG2 THR 9 3HG2 THR 9 -0.056 -1.148 -10.458 79 H ILE 10 H ILE 10 -0.234 3.314 -9.817 80 HA ILE 10 HA ILE 10 -2.433 2.490 -8.499 81 HB ILE 10 HB ILE 10 -1.016 4.909 -8.939 82 1HG1 ILE 10 2HG1 ILE 10 -3.344 4.183 -7.221 83 2HG1 ILE 10 3HG1 ILE 10 -1.637 4.030 -6.834 84 1HG2 ILE 10 1HG2 ILE 10 -3.937 5.532 -9.432 85 2HG2 ILE 10 2HG2 ILE 10 -2.561 6.652 -9.370 86 3HG2 ILE 10 3HG2 ILE 10 -2.690 5.504 -10.706 87 1HD1 ILE 10 1HD1 ILE 10 -3.171 6.647 -7.109 88 2HD1 ILE 10 2HD1 ILE 10 -2.459 5.955 -5.643 89 3HD1 ILE 10 3HD1 ILE 10 -1.401 6.530 -6.945 90 H ALA 11 H ALA 11 -4.760 3.098 -8.722 91 HA ALA 11 HA ALA 11 -6.749 2.741 -9.726 92 1HB ALA 11 1HB ALA 11 -6.172 5.047 -10.456 93 2HB ALA 11 2HB ALA 11 -5.507 4.385 -11.966 94 3HB ALA 11 3HB ALA 11 -7.232 4.209 -11.600 95 H CYS 12 H CYS 12 -4.682 0.691 -10.322 96 HA CYS 12 HA CYS 12 -5.555 -0.423 -12.915 97 1HB CYS 12 2HB CYS 12 -3.297 -0.722 -12.495 98 2HB CYS 12 3HB CYS 12 -3.535 -1.176 -10.801 99 HG CYS 12 HG CYS 12 -4.722 -3.455 -11.268 100 H GLU 13 H GLU 13 -5.559 -1.538 -9.490 101 HA GLU 13 HA GLU 13 -7.979 -3.170 -10.012 102 1HB GLU 13 2HB GLU 13 -6.073 -4.197 -8.847 103 2HB GLU 13 3HB GLU 13 -6.142 -2.992 -7.564 104 1HG GLU 13 2HG GLU 13 -7.088 -5.315 -7.108 105 2HG GLU 13 3HG GLU 13 -8.180 -4.024 -6.672 106 H ALA 14 H ALA 14 -8.122 -2.216 -6.866 107 HA ALA 14 HA ALA 14 -10.120 -0.111 -7.489 108 1HB ALA 14 1HB ALA 14 -10.975 -0.640 -5.249 109 2HB ALA 14 2HB ALA 14 -10.846 -2.090 -6.263 110 3HB ALA 14 3HB ALA 14 -9.636 -1.788 -5.003 111 H CYS 15 H CYS 15 -7.347 0.597 -7.676 112 HA CYS 15 HA CYS 15 -5.934 2.195 -7.159 113 1HB CYS 15 2HB CYS 15 -8.364 3.352 -5.855 114 2HB CYS 15 3HB CYS 15 -6.827 3.867 -5.153 115 HG CYS 15 HG CYS 15 -7.821 3.961 -8.265 116 H ALA 16 H ALA 16 -4.367 2.811 -5.733 117 HA ALA 16 HA ALA 16 -3.315 0.789 -4.148 118 1HB ALA 16 1HB ALA 16 -1.747 2.491 -3.275 119 2HB ALA 16 2HB ALA 16 -1.989 2.621 -5.028 120 3HB ALA 16 3HB ALA 16 -2.782 3.782 -3.932 121 H GLU 17 H GLU 17 -5.602 3.322 -3.102 122 HA GLU 17 HA GLU 17 -5.164 3.032 -0.346 123 1HB GLU 17 2HB GLU 17 -7.031 4.321 0.013 124 2HB GLU 17 3HB GLU 17 -6.408 4.859 -1.535 125 1HG GLU 17 2HG GLU 17 -8.625 4.755 -2.086 126 2HG GLU 17 3HG GLU 17 -8.257 3.058 -2.433 127 H ALA 18 H ALA 18 -6.839 0.912 -2.621 128 HA ALA 18 HA ALA 18 -8.246 -0.739 -0.816 129 1HB ALA 18 1HB ALA 18 -8.031 -2.458 -2.524 130 2HB ALA 18 2HB ALA 18 -8.357 -0.890 -3.287 131 3HB ALA 18 3HB ALA 18 -6.717 -1.575 -3.316 132 H VAL 19 H VAL 19 -4.724 -0.653 -1.675 133 HA VAL 19 HA VAL 19 -4.202 -3.067 -0.199 134 HB VAL 19 HB VAL 19 -2.694 -1.889 -2.032 135 1HG1 VAL 19 1HG1 VAL 19 -2.005 0.077 -0.541 136 2HG1 VAL 19 2HG1 VAL 19 -1.278 -1.094 0.573 137 3HG1 VAL 19 3HG1 VAL 19 -0.665 -0.938 -1.076 138 1HG2 VAL 19 1HG2 VAL 19 -0.918 -3.383 -1.175 139 2HG2 VAL 19 2HG2 VAL 19 -1.744 -3.510 0.375 140 3HG2 VAL 19 3HG2 VAL 19 -2.490 -4.168 -1.100 141 H THR 20 H THR 20 -4.220 0.408 0.538 142 HA THR 20 HA THR 20 -3.240 0.248 3.221 143 HB THR 20 HB THR 20 -4.940 2.201 1.704 144 HG1 THR 20 1HG THR 20 -2.650 2.201 1.791 145 1HG2 THR 20 1HG2 THR 20 -6.241 2.205 3.702 146 2HG2 THR 20 2HG2 THR 20 -4.783 2.159 4.714 147 3HG2 THR 20 3HG2 THR 20 -5.158 3.599 3.729 148 H LYS 21 H LYS 21 -6.673 -0.032 2.033 149 HA LYS 21 HA LYS 21 -7.687 -0.667 4.618 150 1HB LYS 21 2HB LYS 21 -8.810 -1.716 1.991 151 2HB LYS 21 3HB LYS 21 -9.624 -1.573 3.555 152 1HG LYS 21 2HG LYS 21 -8.814 1.009 3.215 153 2HG LYS 21 3HG LYS 21 -8.961 0.486 1.520 154 1HD LYS 21 2HD LYS 21 -11.306 -0.422 2.213 155 2HD LYS 21 3HD LYS 21 -11.101 0.499 3.707 156 1HE LYS 21 2HE LYS 21 -11.461 1.451 0.856 157 2HE LYS 21 3HE LYS 21 -12.377 1.941 2.289 158 1HZ LYS 21 1HZ LYS 21 -10.748 3.604 1.367 159 2HZ LYS 21 2HZ LYS 21 -10.355 3.215 2.953 160 3HZ LYS 21 3HZ LYS 21 -9.611 2.575 1.582 161 H ALA 22 H ALA 22 -6.439 -2.820 2.049 162 HA ALA 22 HA ALA 22 -7.098 -5.268 3.263 163 1HB ALA 22 1HB ALA 22 -5.363 -6.253 1.871 164 2HB ALA 22 2HB ALA 22 -6.339 -5.085 0.945 165 3HB ALA 22 3HB ALA 22 -4.705 -4.646 1.507 166 H VAL 23 H VAL 23 -4.001 -3.498 3.337 167 HA VAL 23 HA VAL 23 -2.608 -5.229 5.092 168 HB VAL 23 HB VAL 23 -2.246 -2.293 4.373 169 1HG1 VAL 23 1HG1 VAL 23 0.135 -2.641 5.090 170 2HG1 VAL 23 2HG1 VAL 23 -0.994 -2.679 6.460 171 3HG1 VAL 23 3HG1 VAL 23 -0.329 -4.196 5.800 172 1HG2 VAL 23 1HG2 VAL 23 -0.669 -4.749 3.485 173 2HG2 VAL 23 2HG2 VAL 23 -2.033 -4.117 2.555 174 3HG2 VAL 23 3HG2 VAL 23 -0.605 -3.107 2.813 175 H GLN 24 H GLN 24 -4.567 -2.247 5.725 176 HA GLN 24 HA GLN 24 -4.196 -2.149 8.512 177 1HB GLN 24 2HB GLN 24 -6.552 -1.405 6.762 178 2HB GLN 24 3HB GLN 24 -6.496 -1.049 8.486 179 1HG GLN 24 2HG GLN 24 -4.123 -0.179 6.831 180 2HG GLN 24 3HG GLN 24 -5.638 0.683 6.618 181 1HE2 GLN 24 1HE2 GLN 24 -2.826 0.624 8.449 182 2HE2 GLN 24 2HE2 GLN 24 -3.399 1.663 9.743 183 H ASN 25 H ASN 25 -5.977 -4.665 6.701 184 HA ASN 25 HA ASN 25 -7.670 -5.428 8.927 185 1HB ASN 25 2HB ASN 25 -6.402 -7.204 6.794 186 2HB ASN 25 3HB ASN 25 -7.621 -7.697 7.956 187 1HD2 ASN 25 1HD2 ASN 25 -7.274 -6.813 4.837 188 2HD2 ASN 25 2HD2 ASN 25 -8.933 -6.289 4.525 189 H GLU 26 H GLU 26 -4.401 -6.469 7.872 190 HA GLU 26 HA GLU 26 -3.984 -8.116 10.240 191 1HB GLU 26 2HB GLU 26 -2.023 -7.273 8.055 192 2HB GLU 26 3HB GLU 26 -1.821 -8.565 9.247 193 1HG GLU 26 2HG GLU 26 -3.882 -9.681 8.280 194 2HG GLU 26 3HG GLU 26 -3.893 -8.455 6.997 195 H ASP 27 H ASP 27 -2.416 -5.199 8.878 196 HA ASP 27 HA ASP 27 -1.045 -4.690 11.416 197 1HB ASP 27 2HB ASP 27 0.023 -4.457 9.088 198 2HB ASP 27 3HB ASP 27 -0.905 -2.973 8.908 199 H ALA 28 H ALA 28 -3.243 -4.538 12.361 200 HA ALA 28 HA ALA 28 -5.054 -2.410 11.716 201 1HB ALA 28 1HB ALA 28 -4.776 -4.053 14.265 202 2HB ALA 28 2HB ALA 28 -6.195 -3.094 13.785 203 3HB ALA 28 3HB ALA 28 -5.712 -4.509 12.822 204 H GLN 29 H GLN 29 -2.052 -2.312 13.259 205 HA GLN 29 HA GLN 29 -2.657 0.164 14.792 206 1HB GLN 29 2HB GLN 29 -0.446 -0.400 15.849 207 2HB GLN 29 3HB GLN 29 -1.783 -1.479 16.244 208 1HG GLN 29 2HG GLN 29 -0.908 -3.250 14.957 209 2HG GLN 29 3HG GLN 29 0.094 -2.163 13.983 210 1HE2 GLN 29 1HE2 GLN 29 2.206 -2.010 14.473 211 2HE2 GLN 29 2HE2 GLN 29 2.913 -2.484 16.014 212 H ALA 30 H ALA 30 -1.743 -0.556 11.666 213 HA ALA 30 HA ALA 30 0.602 1.189 11.546 214 1HB ALA 30 1HB ALA 30 -1.144 -0.144 9.456 215 2HB ALA 30 2HB ALA 30 0.132 1.017 9.030 216 3HB ALA 30 3HB ALA 30 0.547 -0.456 9.891 217 H THR 31 H THR 31 0.736 3.162 10.449 218 HA THR 31 HA THR 31 -1.788 4.743 10.119 219 HB THR 31 HB THR 31 1.038 5.588 10.839 220 HG1 THR 31 1HG THR 31 -0.475 4.790 12.447 221 1HG2 THR 31 1HG2 THR 31 -1.391 7.324 10.192 222 2HG2 THR 31 2HG2 THR 31 0.119 7.903 10.921 223 3HG2 THR 31 3HG2 THR 31 0.132 7.270 9.269 224 H VAL 32 H VAL 32 -2.003 5.775 8.094 225 HA VAL 32 HA VAL 32 -0.213 4.774 5.932 226 HB VAL 32 HB VAL 32 -2.277 4.273 4.665 227 1HG1 VAL 32 1HG1 VAL 32 -2.152 2.770 7.315 228 2HG1 VAL 32 2HG1 VAL 32 -2.743 2.157 5.763 229 3HG1 VAL 32 3HG1 VAL 32 -1.026 2.526 5.969 230 1HG2 VAL 32 1HG2 VAL 32 -3.924 5.699 5.819 231 2HG2 VAL 32 2HG2 VAL 32 -4.428 4.015 5.914 232 3HG2 VAL 32 3HG2 VAL 32 -3.717 4.776 7.326 233 H GLN 33 H GLN 33 0.208 6.268 4.316 234 HA GLN 33 HA GLN 33 -1.445 8.736 4.110 235 1HB GLN 33 2HB GLN 33 1.441 8.412 4.908 236 2HB GLN 33 3HB GLN 33 1.065 9.737 3.801 237 1HG GLN 33 2HG GLN 33 -0.443 9.386 6.418 238 2HG GLN 33 3HG GLN 33 1.125 10.192 6.324 239 1HE2 GLN 33 1HE2 GLN 33 0.539 12.338 6.722 240 2HE2 GLN 33 2HE2 GLN 33 -0.549 13.215 5.661 241 H VAL 34 H VAL 34 -2.270 8.176 2.100 242 HA VAL 34 HA VAL 34 -0.335 7.349 -0.018 243 HB VAL 34 HB VAL 34 -1.855 5.586 0.455 244 1HG1 VAL 34 1HG1 VAL 34 -4.265 5.716 0.138 245 2HG1 VAL 34 2HG1 VAL 34 -3.749 6.753 1.472 246 3HG1 VAL 34 3HG1 VAL 34 -4.176 7.467 -0.093 247 1HG2 VAL 34 1HG2 VAL 34 -2.736 5.222 -1.774 248 2HG2 VAL 34 2HG2 VAL 34 -2.664 6.956 -2.142 249 3HG2 VAL 34 3HG2 VAL 34 -1.166 6.037 -1.895 250 H ASP 35 H ASP 35 0.102 8.838 -1.531 251 HA ASP 35 HA ASP 35 -1.519 11.323 -1.464 252 1HB ASP 35 2HB ASP 35 1.017 11.210 -1.098 253 2HB ASP 35 3HB ASP 35 1.107 10.797 -2.817 254 H LEU 36 H LEU 36 -3.255 10.058 -2.577 255 HA LEU 36 HA LEU 36 -3.071 8.889 -5.124 256 1HB LEU 36 2HB LEU 36 -5.405 10.407 -3.875 257 2HB LEU 36 3HB LEU 36 -5.483 9.573 -5.421 258 HG LEU 36 HG LEU 36 -4.425 7.585 -3.793 259 1HD1 LEU 36 1HD1 LEU 36 -6.622 9.041 -2.250 260 2HD1 LEU 36 2HD1 LEU 36 -5.880 7.487 -1.821 261 3HD1 LEU 36 3HD1 LEU 36 -4.916 8.978 -1.772 262 1HD2 LEU 36 1HD2 LEU 36 -6.663 6.563 -3.991 263 2HD2 LEU 36 2HD2 LEU 36 -7.342 8.128 -4.487 264 3HD2 LEU 36 3HD2 LEU 36 -6.156 7.301 -5.521 265 H THR 37 H THR 37 -3.041 12.319 -4.334 266 HA THR 37 HA THR 37 -3.389 13.737 -6.570 267 HB THR 37 HB THR 37 -0.818 13.791 -4.955 268 HG1 THR 37 1HG THR 37 -1.889 14.033 -3.221 269 1HG2 THR 37 1HG2 THR 37 -2.689 16.026 -5.846 270 2HG2 THR 37 2HG2 THR 37 -1.163 16.209 -4.954 271 3HG2 THR 37 3HG2 THR 37 -1.142 15.604 -6.624 272 H SER 38 H SER 38 -0.696 11.437 -5.980 273 HA SER 38 HA SER 38 0.019 11.539 -8.861 274 1HB SER 38 2HB SER 38 2.021 11.864 -6.595 275 2HB SER 38 3HB SER 38 2.393 11.731 -8.340 276 HG SER 38 HG SER 38 2.310 13.911 -7.700 277 H LYS 39 H LYS 39 2.308 9.825 -6.968 278 HA LYS 39 HA LYS 39 0.985 7.236 -7.208 279 1HB LYS 39 2HB LYS 39 2.579 6.444 -8.991 280 2HB LYS 39 3HB LYS 39 1.313 7.555 -9.500 281 1HG LYS 39 2HG LYS 39 3.130 9.425 -9.226 282 2HG LYS 39 3HG LYS 39 4.287 8.104 -9.241 283 1HD LYS 39 2HD LYS 39 2.165 8.692 -11.391 284 2HD LYS 39 3HD LYS 39 3.813 9.297 -11.416 285 1HE LYS 39 2HE LYS 39 4.426 7.531 -12.581 286 2HE LYS 39 3HE LYS 39 4.270 6.581 -11.117 287 1HZ LYS 39 1HZ LYS 39 3.076 5.707 -13.081 288 2HZ LYS 39 2HZ LYS 39 2.025 5.935 -11.881 289 3HZ LYS 39 3HZ LYS 39 2.108 7.023 -13.116 290 H LYS 40 H LYS 40 1.785 8.188 -4.955 291 HA LYS 40 HA LYS 40 4.243 6.740 -4.189 292 1HB LYS 40 2HB LYS 40 5.040 8.731 -2.966 293 2HB LYS 40 3HB LYS 40 4.935 9.025 -4.710 294 1HG LYS 40 2HG LYS 40 2.499 9.880 -4.132 295 2HG LYS 40 3HG LYS 40 3.113 10.014 -2.490 296 1HD LYS 40 2HD LYS 40 4.501 11.299 -4.891 297 2HD LYS 40 3HD LYS 40 3.012 11.956 -4.224 298 1HE LYS 40 2HE LYS 40 4.489 11.670 -1.903 299 2HE LYS 40 3HE LYS 40 5.763 12.058 -3.069 300 1HZ LYS 40 1HZ LYS 40 4.740 14.011 -2.016 301 2HZ LYS 40 2HZ LYS 40 4.446 14.035 -3.641 302 3HZ LYS 40 3HZ LYS 40 3.266 13.572 -2.603 303 H VAL 41 H VAL 41 4.113 5.943 -2.035 304 HA VAL 41 HA VAL 41 1.708 6.582 -0.464 305 HB VAL 41 HB VAL 41 0.937 4.815 -1.926 306 1HG1 VAL 41 1HG1 VAL 41 3.102 3.775 -2.572 307 2HG1 VAL 41 2HG1 VAL 41 3.241 3.088 -0.938 308 3HG1 VAL 41 3HG1 VAL 41 1.924 2.585 -2.007 309 1HG2 VAL 41 1HG2 VAL 41 0.184 3.219 -0.281 310 2HG2 VAL 41 2HG2 VAL 41 1.540 3.593 0.797 311 3HG2 VAL 41 3HG2 VAL 41 0.283 4.806 0.508 312 H THR 42 H THR 42 2.088 6.524 1.682 313 HA THR 42 HA THR 42 4.771 5.621 2.602 314 HB THR 42 HB THR 42 3.035 7.965 3.467 315 HG1 THR 42 1HG THR 42 4.491 9.203 2.433 316 1HG2 THR 42 1HG2 THR 42 4.316 7.163 5.382 317 2HG2 THR 42 2HG2 THR 42 5.788 7.041 4.402 318 3HG2 THR 42 3HG2 THR 42 5.088 8.632 4.768 319 H ILE 43 H ILE 43 4.428 3.775 3.772 320 HA ILE 43 HA ILE 43 1.982 3.584 5.512 321 HB ILE 43 HB ILE 43 3.861 1.438 4.540 322 1HG1 ILE 43 2HG1 ILE 43 2.487 2.414 2.684 323 2HG1 ILE 43 3HG1 ILE 43 2.116 0.744 3.021 324 1HG2 ILE 43 1HG2 ILE 43 2.930 0.778 6.646 325 2HG2 ILE 43 2HG2 ILE 43 1.305 1.311 6.184 326 3HG2 ILE 43 3HG2 ILE 43 2.044 -0.097 5.392 327 1HD1 ILE 43 1HD1 ILE 43 0.419 3.088 3.950 328 2HD1 ILE 43 2HD1 ILE 43 0.095 2.030 2.571 329 3HD1 ILE 43 3HD1 ILE 43 0.064 1.357 4.203 330 H THR 44 H THR 44 2.377 4.290 7.503 331 HA THR 44 HA THR 44 5.134 4.206 8.597 332 HB THR 44 HB THR 44 2.658 5.706 9.441 333 HG1 THR 44 1HG THR 44 3.655 6.369 7.516 334 1HG2 THR 44 1HG2 THR 44 4.105 5.252 11.404 335 2HG2 THR 44 2HG2 THR 44 5.527 5.813 10.491 336 3HG2 THR 44 3HG2 THR 44 4.231 6.952 10.916 337 H SER 45 H SER 45 5.449 2.156 9.271 338 HA SER 45 HA SER 45 3.763 1.084 11.452 339 1HB SER 45 2HB SER 45 3.374 -1.041 10.329 340 2HB SER 45 3HB SER 45 2.765 0.222 9.264 341 HG SER 45 HG SER 45 4.742 0.121 8.123 342 H ALA 46 H ALA 46 4.898 -1.359 11.760 343 HA ALA 46 HA ALA 46 7.868 -0.961 11.797 344 1HB ALA 46 1HB ALA 46 7.896 -2.782 13.413 345 2HB ALA 46 2HB ALA 46 6.860 -1.455 13.977 346 3HB ALA 46 3HB ALA 46 6.128 -2.936 13.314 347 H LEU 47 H LEU 47 5.226 -2.907 10.452 348 HA LEU 47 HA LEU 47 7.177 -4.893 9.325 349 1HB LEU 47 2HB LEU 47 5.429 -6.565 9.629 350 2HB LEU 47 3HB LEU 47 5.996 -5.839 11.127 351 HG LEU 47 HG LEU 47 3.896 -4.351 11.110 352 1HD1 LEU 47 1HD1 LEU 47 3.145 -6.351 8.947 353 2HD1 LEU 47 2HD1 LEU 47 1.967 -5.401 9.854 354 3HD1 LEU 47 3HD1 LEU 47 3.121 -4.579 8.801 355 1HD2 LEU 47 1HD2 LEU 47 3.551 -7.366 11.284 356 2HD2 LEU 47 2HD2 LEU 47 4.180 -6.315 12.574 357 3HD2 LEU 47 3HD2 LEU 47 2.504 -6.139 12.030 358 H GLY 48 H GLY 48 5.471 -2.302 8.378 359 1HA GLY 48 2HA GLY 48 3.716 -2.863 6.446 360 2HA GLY 48 3HA GLY 48 4.895 -1.544 6.323 361 H GLU 49 H GLU 49 7.305 -2.804 5.920 362 HA GLU 49 HA GLU 49 7.318 -3.139 3.204 363 1HB GLU 49 2HB GLU 49 9.227 -2.756 4.848 364 2HB GLU 49 3HB GLU 49 9.301 -4.507 5.072 365 1HG GLU 49 2HG GLU 49 9.650 -4.745 2.586 366 2HG GLU 49 3HG GLU 49 9.610 -2.975 2.444 367 H GLU 50 H GLU 50 7.439 -5.871 5.546 368 HA GLU 50 HA GLU 50 7.273 -7.996 3.651 369 1HB GLU 50 2HB GLU 50 6.671 -7.693 6.625 370 2HB GLU 50 3HB GLU 50 6.300 -9.192 5.790 371 1HG GLU 50 2HG GLU 50 8.635 -9.426 5.055 372 2HG GLU 50 3HG GLU 50 9.062 -7.914 5.883 373 H GLN 51 H GLN 51 4.725 -6.447 5.690 374 HA GLN 51 HA GLN 51 2.674 -8.101 4.810 375 1HB GLN 51 2HB GLN 51 3.062 -5.987 6.670 376 2HB GLN 51 3HB GLN 51 1.884 -5.338 5.560 377 1HG GLN 51 2HG GLN 51 0.844 -6.529 7.445 378 2HG GLN 51 3HG GLN 51 0.481 -7.341 5.904 379 1HE2 GLN 51 1HE2 GLN 51 0.106 -9.420 6.772 380 2HE2 GLN 51 2HE2 GLN 51 1.387 -10.366 7.533 381 H LEU 52 H LEU 52 3.580 -4.857 3.674 382 HA LEU 52 HA LEU 52 1.775 -4.566 1.557 383 1HB LEU 52 2HB LEU 52 4.648 -3.631 1.940 384 2HB LEU 52 3HB LEU 52 3.649 -3.064 0.622 385 HG LEU 52 HG LEU 52 2.693 -2.798 3.479 386 1HD1 LEU 52 1HD1 LEU 52 4.135 -0.583 1.989 387 2HD1 LEU 52 2HD1 LEU 52 3.721 -0.712 3.715 388 3HD1 LEU 52 3HD1 LEU 52 5.002 -1.711 3.041 389 1HD2 LEU 52 1HD2 LEU 52 2.056 -1.072 1.049 390 2HD2 LEU 52 2HD2 LEU 52 1.122 -2.514 1.432 391 3HD2 LEU 52 3HD2 LEU 52 1.173 -1.189 2.590 392 H ARG 53 H ARG 53 5.100 -6.019 1.515 393 HA ARG 53 HA ARG 53 5.115 -6.514 -1.232 394 1HB ARG 53 2HB ARG 53 6.863 -7.115 0.823 395 2HB ARG 53 3HB ARG 53 6.240 -8.711 0.449 396 1HG ARG 53 2HG ARG 53 8.167 -8.439 -0.890 397 2HG ARG 53 3HG ARG 53 6.818 -8.181 -2.011 398 1HD ARG 53 2HD ARG 53 7.121 -5.679 -1.654 399 2HD ARG 53 3HD ARG 53 8.536 -6.045 -0.647 400 HE ARG 53 HE ARG 53 8.970 -7.382 -3.045 401 1HH1 ARG 53 2HH2 ARG 53 8.711 -3.881 -2.154 402 2HH1 ARG 53 1HH2 ARG 53 9.543 -3.437 -3.656 403 1HH2 ARG 53 2HH1 ARG 53 10.043 -6.555 -4.970 404 2HH2 ARG 53 1HH1 ARG 53 10.229 -4.807 -5.080 405 H THR 54 H THR 54 3.675 -8.508 1.344 406 HA THR 54 HA THR 54 2.741 -10.527 -0.480 407 HB THR 54 HB THR 54 1.735 -9.921 2.343 408 HG1 THR 54 1HG THR 54 3.948 -10.155 2.423 409 1HG2 THR 54 1HG2 THR 54 1.309 -12.366 2.375 410 2HG2 THR 54 2HG2 THR 54 0.348 -11.562 1.123 411 3HG2 THR 54 3HG2 THR 54 1.802 -12.479 0.673 412 H ALA 55 H ALA 55 1.021 -7.941 1.297 413 HA ALA 55 HA ALA 55 -1.566 -8.486 0.340 414 1HB ALA 55 1HB ALA 55 -1.095 -7.183 2.376 415 2HB ALA 55 2HB ALA 55 -0.393 -5.881 1.389 416 3HB ALA 55 3HB ALA 55 -2.125 -6.266 1.261 417 H ILE 56 H ILE 56 0.787 -5.973 -0.723 418 HA ILE 56 HA ILE 56 -0.699 -4.978 -2.922 419 HB ILE 56 HB ILE 56 2.317 -5.373 -2.841 420 1HG1 ILE 56 2HG1 ILE 56 0.847 -2.767 -2.270 421 2HG1 ILE 56 3HG1 ILE 56 1.292 -3.860 -0.951 422 1HG2 ILE 56 1HG2 ILE 56 1.330 -4.958 -5.115 423 2HG2 ILE 56 2HG2 ILE 56 0.522 -3.520 -4.454 424 3HG2 ILE 56 3HG2 ILE 56 2.299 -3.618 -4.565 425 1HD1 ILE 56 1HD1 ILE 56 3.673 -3.686 -1.627 426 2HD1 ILE 56 2HD1 ILE 56 3.212 -2.556 -2.905 427 3HD1 ILE 56 3HD1 ILE 56 2.948 -2.102 -1.234 428 H ALA 57 H ALA 57 1.670 -7.765 -2.859 429 HA ALA 57 HA ALA 57 1.315 -8.444 -5.566 430 1HB ALA 57 1HB ALA 57 1.933 -10.303 -3.230 431 2HB ALA 57 2HB ALA 57 2.148 -10.676 -4.949 432 3HB ALA 57 3HB ALA 57 3.109 -9.387 -4.200 433 H SER 58 H SER 58 -0.617 -9.416 -2.723 434 HA SER 58 HA SER 58 -2.335 -11.233 -4.011 435 1HB SER 58 2HB SER 58 -2.177 -10.724 -1.513 436 2HB SER 58 3HB SER 58 -3.234 -9.329 -1.821 437 HG SER 58 HG SER 58 -4.663 -10.940 -2.862 438 H ALA 59 H ALA 59 -2.338 -7.679 -4.149 439 HA ALA 59 HA ALA 59 -4.948 -7.601 -5.565 440 1HB ALA 59 1HB ALA 59 -2.968 -5.412 -4.834 441 2HB ALA 59 2HB ALA 59 -4.559 -5.177 -5.590 442 3HB ALA 59 3HB ALA 59 -4.446 -5.838 -3.946 443 H GLY 60 H GLY 60 -1.472 -7.263 -6.176 444 1HA GLY 60 2HA GLY 60 -0.325 -7.712 -8.137 445 2HA GLY 60 3HA GLY 60 -1.836 -7.771 -9.049 446 H HIS 61 H HIS 61 0.190 -5.428 -7.197 447 HA HIS 61 HA HIS 61 0.034 -3.570 -9.533 448 1HB HIS 61 2HB HIS 61 0.109 -2.820 -6.598 449 2HB HIS 61 3HB HIS 61 0.439 -1.703 -7.925 450 HD1 HIS 61 1HD HIS 61 -1.701 -0.637 -9.141 451 HD2 HIS 61 2HD HIS 61 -2.386 -3.454 -6.079 452 HE1 HIS 61 1HE HIS 61 -4.092 -0.310 -8.366 453 H GLU 62 H GLU 62 1.965 -2.761 -10.160 454 HA GLU 62 HA GLU 62 4.385 -4.191 -9.491 455 1HB GLU 62 2HB GLU 62 3.835 -1.854 -11.369 456 2HB GLU 62 3HB GLU 62 5.250 -2.901 -11.412 457 1HG GLU 62 2HG GLU 62 3.953 -4.780 -12.170 458 2HG GLU 62 3HG GLU 62 2.413 -3.953 -11.901 459 H VAL 63 H VAL 63 3.791 -3.011 -7.219 460 HA VAL 63 HA VAL 63 4.726 -0.241 -7.027 461 HB VAL 63 HB VAL 63 4.139 -2.251 -4.841 462 1HG1 VAL 63 1HG1 VAL 63 3.706 -0.282 -3.402 463 2HG1 VAL 63 2HG1 VAL 63 5.364 -0.273 -4.002 464 3HG1 VAL 63 3HG1 VAL 63 4.144 0.796 -4.728 465 1HG2 VAL 63 1HG2 VAL 63 2.306 -0.275 -6.254 466 2HG2 VAL 63 2HG2 VAL 63 2.157 -2.029 -6.214 467 3HG2 VAL 63 3HG2 VAL 63 1.875 -1.096 -4.738 468 H GLU 64 H GLU 64 6.715 0.500 -6.111 469 HA GLU 64 HA GLU 64 8.551 -1.498 -5.035 470 1HB GLU 64 2HB GLU 64 8.981 -0.998 -7.629 471 2HB GLU 64 3HB GLU 64 9.603 0.544 -7.014 472 1HG GLU 64 2HG GLU 64 11.440 -1.026 -7.282 473 2HG GLU 64 3HG GLU 64 11.185 -0.769 -5.549 Start of MODEL 3 1 1H MET 1 H1 MET 1 11.465 3.715 9.484 2 2H MET 1 H2 MET 1 11.688 2.533 10.616 3 3H MET 1 H3 MET 1 10.940 2.190 9.187 4 HA MET 1 HA MET 1 9.361 2.253 10.885 5 1HB MET 1 2HB MET 1 10.818 4.713 11.675 6 2HB MET 1 3HB MET 1 9.084 4.992 11.525 7 1HG MET 1 2HG MET 1 9.135 4.322 13.692 8 2HG MET 1 3HG MET 1 8.845 2.774 12.925 9 1HE MET 1 1HE MET 1 11.079 1.115 15.415 10 2HE MET 1 2HE MET 1 9.464 1.858 15.327 11 3HE MET 1 3HE MET 1 10.027 0.779 14.023 12 H THR 2 H THR 2 9.866 5.368 9.074 13 HA THR 2 HA THR 2 7.268 5.010 7.781 14 HB THR 2 HB THR 2 8.055 7.226 8.378 15 HG1 THR 2 1HG THR 2 7.848 6.909 5.578 16 1HG2 THR 2 1HG2 THR 2 10.510 7.010 7.910 17 2HG2 THR 2 2HG2 THR 2 10.148 6.957 6.171 18 3HG2 THR 2 3HG2 THR 2 9.758 8.401 7.115 19 H ILE 3 H ILE 3 6.972 3.872 5.992 20 HA ILE 3 HA ILE 3 9.226 2.861 4.319 21 HB ILE 3 HB ILE 3 6.384 1.921 4.931 22 1HG1 ILE 3 2HG1 ILE 3 7.448 -0.254 5.296 23 2HG1 ILE 3 3HG1 ILE 3 9.045 0.434 4.965 24 1HG2 ILE 3 1HG2 ILE 3 8.136 1.018 2.638 25 2HG2 ILE 3 2HG2 ILE 3 6.669 0.183 3.186 26 3HG2 ILE 3 3HG2 ILE 3 6.532 1.807 2.524 27 1HD1 ILE 3 1HD1 ILE 3 8.448 0.084 7.404 28 2HD1 ILE 3 2HD1 ILE 3 8.953 1.726 7.008 29 3HD1 ILE 3 3HD1 ILE 3 7.218 1.351 7.224 30 H GLN 4 H GLN 4 9.225 3.632 2.173 31 HA GLN 4 HA GLN 4 6.924 5.276 1.235 32 1HB GLN 4 2HB GLN 4 9.761 6.091 1.579 33 2HB GLN 4 3HB GLN 4 9.094 6.411 -0.029 34 1HG GLN 4 2HG GLN 4 7.234 7.653 0.870 35 2HG GLN 4 3HG GLN 4 7.670 7.210 2.522 36 1HE2 GLN 4 1HE2 GLN 4 8.968 8.915 -0.387 37 2HE2 GLN 4 2HE2 GLN 4 9.890 10.087 0.543 38 H LEU 5 H LEU 5 6.043 4.133 -0.332 39 HA LEU 5 HA LEU 5 7.745 2.650 -2.300 40 1HB LEU 5 2HB LEU 5 5.228 2.014 -0.792 41 2HB LEU 5 3HB LEU 5 5.263 1.544 -2.491 42 HG LEU 5 HG LEU 5 7.069 0.089 -2.179 43 1HD1 LEU 5 1HD1 LEU 5 7.481 1.390 0.507 44 2HD1 LEU 5 2HD1 LEU 5 8.152 -0.212 0.133 45 3HD1 LEU 5 3HD1 LEU 5 8.655 1.189 -0.809 46 1HD2 LEU 5 1HD2 LEU 5 6.196 -1.445 -0.426 47 2HD2 LEU 5 2HD2 LEU 5 5.246 -0.103 0.253 48 3HD2 LEU 5 3HD2 LEU 5 4.880 -0.725 -1.373 49 H THR 6 H THR 6 6.880 2.580 -4.419 50 HA THR 6 HA THR 6 5.266 4.959 -5.245 51 HB THR 6 HB THR 6 7.817 3.765 -6.386 52 HG1 THR 6 1HG THR 6 8.650 5.688 -5.772 53 1HG2 THR 6 1HG2 THR 6 6.430 4.358 -8.304 54 2HG2 THR 6 2HG2 THR 6 5.974 5.905 -7.553 55 3HG2 THR 6 3HG2 THR 6 7.645 5.620 -8.087 56 H VAL 7 H VAL 7 3.536 4.431 -6.389 57 HA VAL 7 HA VAL 7 3.189 1.653 -7.504 58 HB VAL 7 HB VAL 7 1.944 1.768 -5.559 59 1HG1 VAL 7 1HG1 VAL 7 1.859 4.118 -5.006 60 2HG1 VAL 7 2HG1 VAL 7 0.772 4.445 -6.368 61 3HG1 VAL 7 3HG1 VAL 7 0.235 3.437 -5.012 62 1HG2 VAL 7 1HG2 VAL 7 -0.181 1.201 -6.271 63 2HG2 VAL 7 2HG2 VAL 7 -0.152 2.364 -7.594 64 3HG2 VAL 7 3HG2 VAL 7 0.833 0.898 -7.695 65 HA PRO 8 HA PRO 8 2.959 4.788 -10.787 66 1HB PRO 8 2HB PRO 8 4.061 3.344 -12.850 67 2HB PRO 8 3HB PRO 8 5.049 4.162 -11.602 68 1HG PRO 8 2HG PRO 8 4.219 1.253 -11.673 69 2HG PRO 8 3HG PRO 8 5.845 1.923 -11.365 70 1HD PRO 8 2HD PRO 8 4.169 1.169 -9.366 71 2HD PRO 8 3HD PRO 8 5.262 2.563 -9.175 72 H THR 9 H THR 9 1.905 1.453 -10.586 73 HA THR 9 HA THR 9 -0.297 1.966 -12.491 74 HB THR 9 HB THR 9 1.208 0.013 -12.682 75 HG1 THR 9 1HG THR 9 -0.608 -1.424 -13.030 76 1HG2 THR 9 1HG2 THR 9 -0.149 -1.004 -10.177 77 2HG2 THR 9 2HG2 THR 9 0.708 -1.976 -11.371 78 3HG2 THR 9 3HG2 THR 9 1.584 -0.722 -10.449 79 H ILE 10 H ILE 10 -0.244 3.375 -9.755 80 HA ILE 10 HA ILE 10 -2.482 2.552 -8.431 81 HB ILE 10 HB ILE 10 -0.960 4.939 -8.728 82 1HG1 ILE 10 2HG1 ILE 10 -3.275 4.119 -7.025 83 2HG1 ILE 10 3HG1 ILE 10 -1.568 3.917 -6.666 84 1HG2 ILE 10 1HG2 ILE 10 -3.875 5.679 -9.087 85 2HG2 ILE 10 2HG2 ILE 10 -2.474 6.758 -8.951 86 3HG2 ILE 10 3HG2 ILE 10 -2.654 5.743 -10.383 87 1HD1 ILE 10 1HD1 ILE 10 -2.368 5.727 -5.306 88 2HD1 ILE 10 2HD1 ILE 10 -1.315 6.416 -6.556 89 3HD1 ILE 10 3HD1 ILE 10 -3.086 6.555 -6.696 90 H ALA 11 H ALA 11 -4.748 3.253 -8.635 91 HA ALA 11 HA ALA 11 -6.751 3.049 -9.653 92 1HB ALA 11 1HB ALA 11 -5.444 4.685 -11.862 93 2HB ALA 11 2HB ALA 11 -7.176 4.551 -11.512 94 3HB ALA 11 3HB ALA 11 -6.102 5.337 -10.344 95 H CYS 12 H CYS 12 -4.734 0.936 -10.263 96 HA CYS 12 HA CYS 12 -5.507 -0.046 -12.928 97 1HB CYS 12 2HB CYS 12 -3.255 -0.370 -12.394 98 2HB CYS 12 3HB CYS 12 -3.615 -0.940 -10.756 99 HG CYS 12 HG CYS 12 -4.440 -2.363 -13.625 100 H GLU 13 H GLU 13 -5.573 -1.541 -9.643 101 HA GLU 13 HA GLU 13 -7.732 -3.301 -10.511 102 1HB GLU 13 2HB GLU 13 -5.579 -3.813 -9.095 103 2HB GLU 13 3HB GLU 13 -6.551 -3.335 -7.711 104 1HG GLU 13 2HG GLU 13 -7.287 -5.468 -9.777 105 2HG GLU 13 3HG GLU 13 -6.528 -5.779 -8.217 106 H ALA 14 H ALA 14 -7.538 -1.689 -7.314 107 HA ALA 14 HA ALA 14 -9.947 -0.052 -7.940 108 1HB ALA 14 1HB ALA 14 -11.012 -0.758 -5.859 109 2HB ALA 14 2HB ALA 14 -10.708 -2.172 -6.887 110 3HB ALA 14 3HB ALA 14 -9.652 -1.849 -5.497 111 H CYS 15 H CYS 15 -7.184 0.631 -7.837 112 HA CYS 15 HA CYS 15 -5.892 2.261 -7.172 113 1HB CYS 15 2HB CYS 15 -8.414 3.320 -6.397 114 2HB CYS 15 3HB CYS 15 -7.351 3.556 -4.997 115 HG CYS 15 HG CYS 15 -7.397 5.680 -6.491 116 H ALA 16 H ALA 16 -4.329 2.742 -5.648 117 HA ALA 16 HA ALA 16 -3.474 0.553 -4.140 118 1HB ALA 16 1HB ALA 16 -1.974 2.306 -4.938 119 2HB ALA 16 2HB ALA 16 -2.675 3.470 -3.786 120 3HB ALA 16 3HB ALA 16 -1.771 2.057 -3.194 121 H GLU 17 H GLU 17 -5.619 3.177 -3.093 122 HA GLU 17 HA GLU 17 -5.357 2.837 -0.328 123 1HB GLU 17 2HB GLU 17 -7.343 4.054 -0.091 124 2HB GLU 17 3HB GLU 17 -6.501 4.685 -1.494 125 1HG GLU 17 2HG GLU 17 -8.534 4.570 -2.476 126 2HG GLU 17 3HG GLU 17 -8.158 2.866 -2.740 127 H ALA 18 H ALA 18 -7.001 0.788 -2.726 128 HA ALA 18 HA ALA 18 -8.479 -0.890 -1.008 129 1HB ALA 18 1HB ALA 18 -8.511 -0.994 -3.487 130 2HB ALA 18 2HB ALA 18 -6.871 -1.683 -3.476 131 3HB ALA 18 3HB ALA 18 -8.215 -2.581 -2.747 132 H VAL 19 H VAL 19 -4.938 -0.956 -1.841 133 HA VAL 19 HA VAL 19 -4.551 -3.353 -0.291 134 HB VAL 19 HB VAL 19 -2.947 -2.349 -2.144 135 1HG1 VAL 19 1HG1 VAL 19 -0.922 -1.383 -1.209 136 2HG1 VAL 19 2HG1 VAL 19 -2.220 -0.341 -0.668 137 3HG1 VAL 19 3HG1 VAL 19 -1.512 -1.524 0.445 138 1HG2 VAL 19 1HG2 VAL 19 -2.224 -3.906 0.388 139 2HG2 VAL 19 2HG2 VAL 19 -2.832 -4.578 -1.141 140 3HG2 VAL 19 3HG2 VAL 19 -1.230 -3.840 -1.058 141 H THR 20 H THR 20 -4.345 0.143 0.328 142 HA THR 20 HA THR 20 -3.171 0.044 2.922 143 HB THR 20 HB THR 20 -5.201 1.953 1.695 144 HG1 THR 20 1HG THR 20 -3.042 1.822 0.866 145 1HG2 THR 20 1HG2 THR 20 -4.479 3.513 3.503 146 2HG2 THR 20 2HG2 THR 20 -5.628 2.247 3.969 147 3HG2 THR 20 3HG2 THR 20 -3.918 2.069 4.391 148 H LYS 21 H LYS 21 -6.618 -0.154 1.955 149 HA LYS 21 HA LYS 21 -7.651 -0.572 4.583 150 1HB LYS 21 2HB LYS 21 -8.761 -1.467 1.898 151 2HB LYS 21 3HB LYS 21 -9.683 -1.332 3.399 152 1HG LYS 21 2HG LYS 21 -8.204 1.150 2.608 153 2HG LYS 21 3HG LYS 21 -9.416 0.629 1.456 154 1HD LYS 21 2HD LYS 21 -11.162 0.727 3.115 155 2HD LYS 21 3HD LYS 21 -9.986 0.943 4.437 156 1HE LYS 21 2HE LYS 21 -9.263 3.117 3.429 157 2HE LYS 21 3HE LYS 21 -10.441 2.907 2.124 158 1HZ LYS 21 1HZ LYS 21 -11.234 4.353 3.843 159 2HZ LYS 21 2HZ LYS 21 -12.186 3.018 3.739 160 3HZ LYS 21 3HZ LYS 21 -11.107 3.169 4.981 161 H ALA 22 H ALA 22 -6.584 -2.848 2.041 162 HA ALA 22 HA ALA 22 -7.264 -5.248 3.388 163 1HB ALA 22 1HB ALA 22 -5.624 -6.360 2.030 164 2HB ALA 22 2HB ALA 22 -6.524 -5.182 1.041 165 3HB ALA 22 3HB ALA 22 -4.864 -4.825 1.585 166 H VAL 23 H VAL 23 -4.130 -3.541 3.361 167 HA VAL 23 HA VAL 23 -2.676 -5.217 5.086 168 HB VAL 23 HB VAL 23 -2.433 -2.262 4.414 169 1HG1 VAL 23 1HG1 VAL 23 -0.017 -2.525 5.037 170 2HG1 VAL 23 2HG1 VAL 23 -1.099 -2.637 6.440 171 3HG1 VAL 23 3HG1 VAL 23 -0.392 -4.110 5.733 172 1HG2 VAL 23 1HG2 VAL 23 -1.128 -2.869 2.625 173 2HG2 VAL 23 2HG2 VAL 23 -0.581 -4.390 3.358 174 3HG2 VAL 23 3HG2 VAL 23 -2.187 -4.281 2.643 175 H GLN 24 H GLN 24 -4.700 -2.327 5.765 176 HA GLN 24 HA GLN 24 -4.276 -2.152 8.539 177 1HB GLN 24 2HB GLN 24 -6.738 -1.582 6.873 178 2HB GLN 24 3HB GLN 24 -6.620 -1.174 8.578 179 1HG GLN 24 2HG GLN 24 -4.359 -0.200 6.851 180 2HG GLN 24 3HG GLN 24 -5.939 0.525 6.560 181 1HE2 GLN 24 1HE2 GLN 24 -3.160 0.997 8.311 182 2HE2 GLN 24 2HE2 GLN 24 -3.846 1.956 9.602 183 H ASN 25 H ASN 25 -5.919 -4.840 6.870 184 HA ASN 25 HA ASN 25 -7.430 -5.659 9.230 185 1HB ASN 25 2HB ASN 25 -6.317 -7.334 6.936 186 2HB ASN 25 3HB ASN 25 -7.298 -7.947 8.262 187 1HD2 ASN 25 1HD2 ASN 25 -7.338 -5.994 5.374 188 2HD2 ASN 25 2HD2 ASN 25 -9.094 -5.875 5.234 189 H GLU 26 H GLU 26 -4.237 -6.624 7.894 190 HA GLU 26 HA GLU 26 -3.582 -8.253 10.202 191 1HB GLU 26 2HB GLU 26 -1.868 -7.252 7.880 192 2HB GLU 26 3HB GLU 26 -1.399 -8.460 9.081 193 1HG GLU 26 2HG GLU 26 -3.923 -9.342 8.065 194 2HG GLU 26 3HG GLU 26 -3.003 -8.796 6.662 195 H ASP 27 H ASP 27 -2.284 -5.176 8.878 196 HA ASP 27 HA ASP 27 -0.804 -4.738 11.395 197 1HB ASP 27 2HB ASP 27 0.188 -4.565 8.990 198 2HB ASP 27 3HB ASP 27 -0.631 -3.020 8.886 199 H ALA 28 H ALA 28 -3.060 -4.510 12.361 200 HA ALA 28 HA ALA 28 -4.808 -2.394 11.502 201 1HB ALA 28 1HB ALA 28 -5.625 -4.401 12.683 202 2HB ALA 28 2HB ALA 28 -4.742 -3.908 14.149 203 3HB ALA 28 3HB ALA 28 -6.085 -2.918 13.539 204 H GLN 29 H GLN 29 -2.110 -2.484 13.638 205 HA GLN 29 HA GLN 29 -2.733 0.094 14.908 206 1HB GLN 29 2HB GLN 29 -0.653 -0.317 16.095 207 2HB GLN 29 3HB GLN 29 -1.822 -1.613 16.315 208 1HG GLN 29 2HG GLN 29 -0.592 -3.091 14.862 209 2HG GLN 29 3HG GLN 29 0.459 -1.778 14.298 210 1HE2 GLN 29 1HE2 GLN 29 1.778 -3.935 15.132 211 2HE2 GLN 29 2HE2 GLN 29 2.454 -3.684 16.737 212 H ALA 30 H ALA 30 -1.641 -0.626 11.814 213 HA ALA 30 HA ALA 30 0.630 1.209 11.780 214 1HB ALA 30 1HB ALA 30 0.481 0.857 9.306 215 2HB ALA 30 2HB ALA 30 0.632 -0.624 10.253 216 3HB ALA 30 3HB ALA 30 -0.946 -0.158 9.566 217 H THR 31 H THR 31 0.733 3.012 10.291 218 HA THR 31 HA THR 31 -1.821 4.524 9.922 219 HB THR 31 HB THR 31 0.888 5.450 10.932 220 HG1 THR 31 1HG THR 31 -0.869 4.627 12.300 221 1HG2 THR 31 1HG2 THR 31 0.178 7.120 9.252 222 2HG2 THR 31 2HG2 THR 31 -1.449 7.167 9.979 223 3HG2 THR 31 3HG2 THR 31 -0.041 7.749 10.891 224 H VAL 32 H VAL 32 -1.931 5.688 7.975 225 HA VAL 32 HA VAL 32 -0.113 4.738 5.814 226 HB VAL 32 HB VAL 32 -2.282 4.424 4.534 227 1HG1 VAL 32 1HG1 VAL 32 -2.716 2.288 6.358 228 2HG1 VAL 32 2HG1 VAL 32 -1.715 2.285 4.903 229 3HG1 VAL 32 3HG1 VAL 32 -0.998 2.657 6.473 230 1HG2 VAL 32 1HG2 VAL 32 -3.809 5.659 6.098 231 2HG2 VAL 32 2HG2 VAL 32 -4.349 4.013 5.791 232 3HG2 VAL 32 3HG2 VAL 32 -3.560 4.390 7.316 233 H GLN 33 H GLN 33 0.381 6.339 4.266 234 HA GLN 33 HA GLN 33 -1.312 8.764 4.105 235 1HB GLN 33 2HB GLN 33 1.565 8.515 5.010 236 2HB GLN 33 3HB GLN 33 1.171 9.853 3.935 237 1HG GLN 33 2HG GLN 33 -0.304 9.311 6.543 238 2HG GLN 33 3HG GLN 33 1.069 10.410 6.369 239 1HE2 GLN 33 1HE2 GLN 33 -1.072 11.664 7.339 240 2HE2 GLN 33 2HE2 GLN 33 -1.860 12.604 6.082 241 H VAL 34 H VAL 34 -2.054 8.176 2.074 242 HA VAL 34 HA VAL 34 0.000 7.621 -0.014 243 HB VAL 34 HB VAL 34 -1.306 5.678 0.315 244 1HG1 VAL 34 1HG1 VAL 34 -3.732 5.566 -0.030 245 2HG1 VAL 34 2HG1 VAL 34 -3.307 6.500 1.410 246 3HG1 VAL 34 3HG1 VAL 34 -3.823 7.333 -0.066 247 1HG2 VAL 34 1HG2 VAL 34 -2.119 5.329 -1.927 248 2HG2 VAL 34 2HG2 VAL 34 -2.311 7.071 -2.198 249 3HG2 VAL 34 3HG2 VAL 34 -0.692 6.379 -2.006 250 H ASP 35 H ASP 35 0.313 9.147 -1.505 251 HA ASP 35 HA ASP 35 -1.612 11.405 -1.654 252 1HB ASP 35 2HB ASP 35 1.077 10.941 -2.945 253 2HB ASP 35 3HB ASP 35 0.101 12.394 -3.106 254 H LEU 36 H LEU 36 -3.309 10.012 -2.600 255 HA LEU 36 HA LEU 36 -3.098 8.791 -5.173 256 1HB LEU 36 2HB LEU 36 -5.444 10.176 -3.797 257 2HB LEU 36 3HB LEU 36 -5.531 9.520 -5.429 258 HG LEU 36 HG LEU 36 -4.547 7.315 -4.272 259 1HD1 LEU 36 1HD1 LEU 36 -5.502 6.950 -2.066 260 2HD1 LEU 36 2HD1 LEU 36 -4.471 8.391 -1.992 261 3HD1 LEU 36 3HD1 LEU 36 -6.236 8.568 -2.057 262 1HD2 LEU 36 1HD2 LEU 36 -6.865 6.501 -4.133 263 2HD2 LEU 36 2HD2 LEU 36 -7.468 8.172 -4.198 264 3HD2 LEU 36 3HD2 LEU 36 -6.610 7.480 -5.590 265 H THR 37 H THR 37 -3.087 12.199 -4.262 266 HA THR 37 HA THR 37 -3.454 13.629 -6.507 267 HB THR 37 HB THR 37 -0.927 13.867 -4.840 268 HG1 THR 37 1HG THR 37 -2.193 14.587 -3.131 269 1HG2 THR 37 1HG2 THR 37 -1.519 16.256 -4.835 270 2HG2 THR 37 2HG2 THR 37 -1.454 15.646 -6.499 271 3HG2 THR 37 3HG2 THR 37 -3.026 15.907 -5.710 272 H SER 38 H SER 38 -0.764 11.349 -5.897 273 HA SER 38 HA SER 38 0.164 11.710 -8.700 274 1HB SER 38 2HB SER 38 1.985 11.712 -6.257 275 2HB SER 38 3HB SER 38 2.491 11.766 -7.968 276 HG SER 38 HG SER 38 1.061 13.723 -8.004 277 H LYS 39 H LYS 39 2.227 9.742 -6.842 278 HA LYS 39 HA LYS 39 0.791 7.246 -7.310 279 1HB LYS 39 2HB LYS 39 2.493 6.491 -9.033 280 2HB LYS 39 3HB LYS 39 1.283 7.658 -9.533 281 1HG LYS 39 2HG LYS 39 3.171 9.463 -9.011 282 2HG LYS 39 3HG LYS 39 4.263 8.093 -9.151 283 1HD LYS 39 2HD LYS 39 2.145 8.727 -11.262 284 2HD LYS 39 3HD LYS 39 3.648 9.644 -11.214 285 1HE LYS 39 2HE LYS 39 5.008 7.824 -11.760 286 2HE LYS 39 3HE LYS 39 3.818 6.641 -11.242 287 1HZ LYS 39 1HZ LYS 39 3.533 8.331 -13.633 288 2HZ LYS 39 2HZ LYS 39 3.992 6.753 -13.629 289 3HZ LYS 39 3HZ LYS 39 2.481 7.161 -13.139 290 H LYS 40 H LYS 40 1.933 8.575 -5.066 291 HA LYS 40 HA LYS 40 4.245 6.855 -4.310 292 1HB LYS 40 2HB LYS 40 5.100 8.766 -3.036 293 2HB LYS 40 3HB LYS 40 4.963 9.142 -4.760 294 1HG LYS 40 2HG LYS 40 2.657 10.172 -4.170 295 2HG LYS 40 3HG LYS 40 3.156 10.077 -2.484 296 1HD LYS 40 2HD LYS 40 4.744 11.438 -4.694 297 2HD LYS 40 3HD LYS 40 3.421 12.261 -3.877 298 1HE LYS 40 2HE LYS 40 5.763 11.068 -2.325 299 2HE LYS 40 3HE LYS 40 5.807 12.713 -2.977 300 1HZ LYS 40 1HZ LYS 40 3.682 11.789 -1.133 301 2HZ LYS 40 2HZ LYS 40 5.030 12.603 -0.655 302 3HZ LYS 40 3HZ LYS 40 3.917 13.286 -1.653 303 H VAL 41 H VAL 41 4.149 5.978 -2.217 304 HA VAL 41 HA VAL 41 1.819 6.646 -0.538 305 HB VAL 41 HB VAL 41 0.995 4.789 -1.797 306 1HG1 VAL 41 1HG1 VAL 41 3.595 3.386 -1.157 307 2HG1 VAL 41 2HG1 VAL 41 2.178 2.588 -1.862 308 3HG1 VAL 41 3HG1 VAL 41 3.020 3.855 -2.771 309 1HG2 VAL 41 1HG2 VAL 41 2.053 3.608 0.794 310 2HG2 VAL 41 2HG2 VAL 41 0.712 4.766 0.736 311 3HG2 VAL 41 3HG2 VAL 41 0.560 3.188 -0.063 312 H THR 42 H THR 42 2.264 6.683 1.603 313 HA THR 42 HA THR 42 4.992 5.887 2.433 314 HB THR 42 HB THR 42 3.361 8.344 3.207 315 HG1 THR 42 1HG THR 42 4.950 9.430 2.114 316 1HG2 THR 42 1HG2 THR 42 5.447 8.992 4.453 317 2HG2 THR 42 2HG2 THR 42 4.638 7.582 5.149 318 3HG2 THR 42 3HG2 THR 42 6.086 7.363 4.152 319 H ILE 43 H ILE 43 4.774 4.270 3.957 320 HA ILE 43 HA ILE 43 2.213 4.114 5.529 321 HB ILE 43 HB ILE 43 4.018 1.812 4.766 322 1HG1 ILE 43 2HG1 ILE 43 3.039 2.510 2.695 323 2HG1 ILE 43 3HG1 ILE 43 2.197 1.079 3.262 324 1HG2 ILE 43 1HG2 ILE 43 2.770 1.501 6.854 325 2HG2 ILE 43 2HG2 ILE 43 1.254 1.899 6.056 326 3HG2 ILE 43 3HG2 ILE 43 2.139 0.434 5.595 327 1HD1 ILE 43 1HD1 ILE 43 0.366 2.597 4.164 328 2HD1 ILE 43 2HD1 ILE 43 1.137 3.917 3.270 329 3HD1 ILE 43 3HD1 ILE 43 0.521 2.499 2.412 330 H THR 44 H THR 44 2.475 4.306 7.678 331 HA THR 44 HA THR 44 5.237 4.243 8.842 332 HB THR 44 HB THR 44 2.704 5.645 9.724 333 HG1 THR 44 1HG THR 44 4.084 6.472 7.980 334 1HG2 THR 44 1HG2 THR 44 4.165 6.644 11.487 335 2HG2 THR 44 2HG2 THR 44 3.934 4.903 11.730 336 3HG2 THR 44 3HG2 THR 44 5.458 5.513 11.040 337 H SER 45 H SER 45 5.487 2.090 9.166 338 HA SER 45 HA SER 45 3.787 0.686 11.117 339 1HB SER 45 2HB SER 45 3.661 -1.246 9.511 340 2HB SER 45 3HB SER 45 2.643 0.085 9.020 341 HG SER 45 HG SER 45 5.329 -0.238 8.122 342 H ALA 46 H ALA 46 5.027 -1.023 12.087 343 HA ALA 46 HA ALA 46 7.894 -1.083 11.425 344 1HB ALA 46 1HB ALA 46 6.379 -2.765 13.441 345 2HB ALA 46 2HB ALA 46 8.132 -2.497 13.326 346 3HB ALA 46 3HB ALA 46 7.062 -1.153 13.772 347 H LEU 47 H LEU 47 5.002 -3.031 10.740 348 HA LEU 47 HA LEU 47 6.754 -5.254 9.704 349 1HB LEU 47 2HB LEU 47 5.157 -6.841 10.296 350 2HB LEU 47 3HB LEU 47 5.481 -5.820 11.688 351 HG LEU 47 HG LEU 47 3.296 -4.565 11.084 352 1HD1 LEU 47 1HD1 LEU 47 2.998 -7.116 9.409 353 2HD1 LEU 47 2HD1 LEU 47 1.608 -6.203 10.009 354 3HD1 LEU 47 3HD1 LEU 47 2.712 -5.445 8.879 355 1HD2 LEU 47 1HD2 LEU 47 3.560 -6.031 13.032 356 2HD2 LEU 47 2HD2 LEU 47 1.959 -6.223 12.307 357 3HD2 LEU 47 3HD2 LEU 47 3.208 -7.455 12.023 358 H GLY 48 H GLY 48 4.072 -3.117 8.974 359 1HA GLY 48 2HA GLY 48 3.038 -3.879 6.671 360 2HA GLY 48 3HA GLY 48 3.544 -2.220 6.928 361 H GLU 49 H GLU 49 6.460 -2.715 6.949 362 HA GLU 49 HA GLU 49 7.067 -2.444 4.295 363 1HB GLU 49 2HB GLU 49 8.501 -2.126 6.414 364 2HB GLU 49 3HB GLU 49 8.865 -3.848 6.344 365 1HG GLU 49 2HG GLU 49 9.892 -3.549 4.117 366 2HG GLU 49 3HG GLU 49 9.397 -1.848 4.097 367 H GLU 50 H GLU 50 7.166 -5.575 6.061 368 HA GLU 50 HA GLU 50 7.549 -7.061 3.553 369 1HB GLU 50 2HB GLU 50 7.571 -7.727 6.452 370 2HB GLU 50 3HB GLU 50 6.769 -8.924 5.442 371 1HG GLU 50 2HG GLU 50 8.754 -8.953 3.911 372 2HG GLU 50 3HG GLU 50 9.590 -7.856 5.031 373 H GLN 51 H GLN 51 4.885 -6.440 5.864 374 HA GLN 51 HA GLN 51 3.103 -8.275 4.771 375 1HB GLN 51 2HB GLN 51 3.039 -6.718 6.907 376 2HB GLN 51 3HB GLN 51 2.029 -5.683 5.891 377 1HG GLN 51 2HG GLN 51 1.544 -8.630 6.520 378 2HG GLN 51 3HG GLN 51 0.766 -7.272 7.341 379 1HE2 GLN 51 1HE2 GLN 51 -0.631 -9.400 5.898 380 2HE2 GLN 51 2HE2 GLN 51 -1.428 -8.639 4.530 381 H LEU 52 H LEU 52 3.418 -4.814 3.943 382 HA LEU 52 HA LEU 52 1.569 -4.454 1.913 383 1HB LEU 52 2HB LEU 52 4.428 -3.448 2.215 384 2HB LEU 52 3HB LEU 52 3.335 -2.835 0.986 385 HG LEU 52 HG LEU 52 2.510 -2.721 3.892 386 1HD1 LEU 52 1HD1 LEU 52 4.813 -1.651 3.527 387 2HD1 LEU 52 2HD1 LEU 52 4.034 -0.536 2.400 388 3HD1 LEU 52 3HD1 LEU 52 3.555 -0.572 4.115 389 1HD2 LEU 52 1HD2 LEU 52 0.887 -2.309 1.969 390 2HD2 LEU 52 2HD2 LEU 52 1.049 -0.980 3.132 391 3HD2 LEU 52 3HD2 LEU 52 1.851 -0.892 1.546 392 H ARG 53 H ARG 53 4.868 -5.897 1.694 393 HA ARG 53 HA ARG 53 5.006 -6.037 -1.098 394 1HB ARG 53 2HB ARG 53 6.671 -6.747 0.928 395 2HB ARG 53 3HB ARG 53 6.052 -8.346 0.545 396 1HG ARG 53 2HG ARG 53 8.013 -8.105 -0.696 397 2HG ARG 53 3HG ARG 53 6.732 -7.890 -1.892 398 1HD ARG 53 2HD ARG 53 7.056 -5.530 -2.004 399 2HD ARG 53 3HD ARG 53 7.910 -5.444 -0.476 400 HE ARG 53 HE ARG 53 9.020 -5.920 -3.085 401 1HH1 ARG 53 2HH2 ARG 53 9.452 -6.679 0.324 402 2HH1 ARG 53 1HH2 ARG 53 11.170 -6.913 0.246 403 1HH2 ARG 53 2HH1 ARG 53 11.313 -6.202 -3.257 404 2HH2 ARG 53 1HH1 ARG 53 12.246 -6.670 -1.873 405 H THR 54 H THR 54 3.706 -8.434 1.209 406 HA THR 54 HA THR 54 2.853 -10.245 -0.900 407 HB THR 54 HB THR 54 2.203 -10.260 2.071 408 HG1 THR 54 1HG THR 54 4.438 -10.413 1.535 409 1HG2 THR 54 1HG2 THR 54 1.974 -12.395 -0.110 410 2HG2 THR 54 2HG2 THR 54 1.840 -12.706 1.632 411 3HG2 THR 54 3HG2 THR 54 0.633 -11.692 0.823 412 H ALA 55 H ALA 55 1.152 -7.890 1.240 413 HA ALA 55 HA ALA 55 -1.474 -8.537 0.375 414 1HB ALA 55 1HB ALA 55 -0.356 -5.900 1.405 415 2HB ALA 55 2HB ALA 55 -2.080 -6.333 1.294 416 3HB ALA 55 3HB ALA 55 -1.010 -7.236 2.379 417 H ILE 56 H ILE 56 0.728 -5.927 -0.730 418 HA ILE 56 HA ILE 56 -0.820 -5.032 -2.927 419 HB ILE 56 HB ILE 56 2.217 -5.142 -2.756 420 1HG1 ILE 56 2HG1 ILE 56 0.453 -2.723 -2.236 421 2HG1 ILE 56 3HG1 ILE 56 0.952 -3.755 -0.895 422 1HG2 ILE 56 1HG2 ILE 56 0.281 -3.487 -4.431 423 2HG2 ILE 56 2HG2 ILE 56 2.054 -3.323 -4.429 424 3HG2 ILE 56 3HG2 ILE 56 1.328 -4.781 -5.062 425 1HD1 ILE 56 1HD1 ILE 56 2.808 -2.198 -2.719 426 2HD1 ILE 56 2HD1 ILE 56 2.432 -1.875 -1.026 427 3HD1 ILE 56 3HD1 ILE 56 3.336 -3.340 -1.469 428 H ALA 57 H ALA 57 1.717 -7.669 -2.843 429 HA ALA 57 HA ALA 57 1.411 -8.393 -5.540 430 1HB ALA 57 1HB ALA 57 3.171 -9.300 -4.086 431 2HB ALA 57 2HB ALA 57 1.962 -10.254 -3.196 432 3HB ALA 57 3HB ALA 57 2.270 -10.588 -4.908 433 H SER 58 H SER 58 -0.578 -9.345 -2.740 434 HA SER 58 HA SER 58 -2.270 -11.208 -3.985 435 1HB SER 58 2HB SER 58 -2.101 -10.324 -1.469 436 2HB SER 58 3HB SER 58 -3.415 -9.253 -1.983 437 HG SER 58 HG SER 58 -3.366 -12.087 -2.120 438 H ALA 59 H ALA 59 -2.547 -7.634 -3.822 439 HA ALA 59 HA ALA 59 -4.975 -7.509 -5.415 440 1HB ALA 59 1HB ALA 59 -2.899 -5.391 -4.743 441 2HB ALA 59 2HB ALA 59 -4.481 -5.091 -5.503 442 3HB ALA 59 3HB ALA 59 -4.396 -5.733 -3.849 443 H GLY 60 H GLY 60 -1.507 -7.273 -6.131 444 1HA GLY 60 2HA GLY 60 -0.433 -7.838 -8.106 445 2HA GLY 60 3HA GLY 60 -1.969 -7.860 -8.976 446 H HIS 61 H HIS 61 0.174 -5.526 -7.236 447 HA HIS 61 HA HIS 61 -0.001 -3.711 -9.609 448 1HB HIS 61 2HB HIS 61 0.096 -2.926 -6.687 449 2HB HIS 61 3HB HIS 61 0.387 -1.813 -8.022 450 HD1 HIS 61 1HD HIS 61 -1.797 -0.620 -8.971 451 HD2 HIS 61 2HD HIS 61 -2.410 -3.907 -6.407 452 HE1 HIS 61 1HE HIS 61 -4.222 -0.538 -8.250 453 H GLU 62 H GLU 62 1.895 -2.857 -10.268 454 HA GLU 62 HA GLU 62 4.368 -4.212 -9.655 455 1HB GLU 62 2HB GLU 62 3.703 -1.909 -11.558 456 2HB GLU 62 3HB GLU 62 5.158 -2.910 -11.592 457 1HG GLU 62 2HG GLU 62 2.340 -4.016 -12.071 458 2HG GLU 62 3HG GLU 62 3.453 -3.486 -13.332 459 H VAL 63 H VAL 63 3.821 -3.096 -7.384 460 HA VAL 63 HA VAL 63 4.761 -0.314 -7.173 461 HB VAL 63 HB VAL 63 4.092 -2.283 -4.953 462 1HG1 VAL 63 1HG1 VAL 63 4.156 0.765 -4.949 463 2HG1 VAL 63 2HG1 VAL 63 3.710 -0.266 -3.593 464 3HG1 VAL 63 3HG1 VAL 63 5.373 -0.282 -4.187 465 1HG2 VAL 63 1HG2 VAL 63 1.868 -0.996 -4.969 466 2HG2 VAL 63 2HG2 VAL 63 2.380 -0.327 -6.532 467 3HG2 VAL 63 3HG2 VAL 63 2.145 -2.065 -6.353 468 H GLU 64 H GLU 64 6.729 0.380 -6.291 469 HA GLU 64 HA GLU 64 8.746 -1.678 -5.541 470 1HB GLU 64 2HB GLU 64 9.084 -0.503 -7.880 471 2HB GLU 64 3HB GLU 64 9.417 0.940 -6.906 472 1HG GLU 64 2HG GLU 64 11.538 -0.028 -7.337 473 2HG GLU 64 3HG GLU 64 11.174 -0.521 -5.676 Start of MODEL 4 1 1H MET 1 H1 MET 1 11.465 3.715 9.484 2 2H MET 1 H2 MET 1 11.688 2.533 10.616 3 3H MET 1 H3 MET 1 10.940 2.190 9.187 4 HA MET 1 HA MET 1 9.361 2.253 10.885 5 1HB MET 1 2HB MET 1 10.818 4.713 11.675 6 2HB MET 1 3HB MET 1 9.084 4.992 11.525 7 1HG MET 1 2HG MET 1 9.135 4.322 13.692 8 2HG MET 1 3HG MET 1 8.845 2.774 12.925 9 1HE MET 1 1HE MET 1 11.079 1.115 15.415 10 2HE MET 1 2HE MET 1 9.464 1.858 15.327 11 3HE MET 1 3HE MET 1 10.027 0.779 14.023 12 H THR 2 H THR 2 9.866 5.368 9.074 13 HA THR 2 HA THR 2 7.268 5.010 7.781 14 HB THR 2 HB THR 2 8.055 7.226 8.378 15 HG1 THR 2 1HG THR 2 7.848 6.909 5.578 16 1HG2 THR 2 1HG2 THR 2 10.510 7.010 7.910 17 2HG2 THR 2 2HG2 THR 2 10.148 6.957 6.171 18 3HG2 THR 2 3HG2 THR 2 9.758 8.401 7.115 19 H ILE 3 H ILE 3 6.972 3.872 5.992 20 HA ILE 3 HA ILE 3 9.226 2.861 4.319 21 HB ILE 3 HB ILE 3 6.384 1.921 4.931 22 1HG1 ILE 3 2HG1 ILE 3 7.448 -0.254 5.296 23 2HG1 ILE 3 3HG1 ILE 3 9.045 0.434 4.965 24 1HG2 ILE 3 1HG2 ILE 3 8.136 1.018 2.638 25 2HG2 ILE 3 2HG2 ILE 3 6.669 0.183 3.186 26 3HG2 ILE 3 3HG2 ILE 3 6.532 1.807 2.524 27 1HD1 ILE 3 1HD1 ILE 3 8.448 0.084 7.404 28 2HD1 ILE 3 2HD1 ILE 3 8.953 1.726 7.008 29 3HD1 ILE 3 3HD1 ILE 3 7.218 1.351 7.224 30 H GLN 4 H GLN 4 9.225 3.632 2.173 31 HA GLN 4 HA GLN 4 6.924 5.276 1.235 32 1HB GLN 4 2HB GLN 4 9.761 6.091 1.579 33 2HB GLN 4 3HB GLN 4 9.094 6.411 -0.029 34 1HG GLN 4 2HG GLN 4 7.234 7.653 0.870 35 2HG GLN 4 3HG GLN 4 7.670 7.210 2.522 36 1HE2 GLN 4 1HE2 GLN 4 8.968 8.915 -0.387 37 2HE2 GLN 4 2HE2 GLN 4 9.890 10.087 0.543 38 H LEU 5 H LEU 5 6.043 4.133 -0.332 39 HA LEU 5 HA LEU 5 7.745 2.650 -2.300 40 1HB LEU 5 2HB LEU 5 5.228 2.014 -0.792 41 2HB LEU 5 3HB LEU 5 5.263 1.544 -2.491 42 HG LEU 5 HG LEU 5 7.069 0.089 -2.179 43 1HD1 LEU 5 1HD1 LEU 5 7.481 1.390 0.507 44 2HD1 LEU 5 2HD1 LEU 5 8.152 -0.212 0.133 45 3HD1 LEU 5 3HD1 LEU 5 8.655 1.189 -0.809 46 1HD2 LEU 5 1HD2 LEU 5 6.196 -1.445 -0.426 47 2HD2 LEU 5 2HD2 LEU 5 5.246 -0.103 0.253 48 3HD2 LEU 5 3HD2 LEU 5 4.880 -0.725 -1.373 49 H THR 6 H THR 6 6.880 2.580 -4.419 50 HA THR 6 HA THR 6 5.266 4.959 -5.245 51 HB THR 6 HB THR 6 7.817 3.765 -6.386 52 HG1 THR 6 1HG THR 6 8.650 5.688 -5.772 53 1HG2 THR 6 1HG2 THR 6 6.430 4.358 -8.304 54 2HG2 THR 6 2HG2 THR 6 5.974 5.905 -7.553 55 3HG2 THR 6 3HG2 THR 6 7.645 5.620 -8.087 56 H VAL 7 H VAL 7 3.536 4.431 -6.389 57 HA VAL 7 HA VAL 7 3.189 1.653 -7.504 58 HB VAL 7 HB VAL 7 1.944 1.768 -5.559 59 1HG1 VAL 7 1HG1 VAL 7 1.859 4.118 -5.006 60 2HG1 VAL 7 2HG1 VAL 7 0.772 4.445 -6.368 61 3HG1 VAL 7 3HG1 VAL 7 0.235 3.437 -5.012 62 1HG2 VAL 7 1HG2 VAL 7 -0.181 1.201 -6.271 63 2HG2 VAL 7 2HG2 VAL 7 -0.152 2.364 -7.594 64 3HG2 VAL 7 3HG2 VAL 7 0.833 0.898 -7.695 65 HA PRO 8 HA PRO 8 2.959 4.788 -10.787 66 1HB PRO 8 2HB PRO 8 4.061 3.344 -12.850 67 2HB PRO 8 3HB PRO 8 5.049 4.162 -11.602 68 1HG PRO 8 2HG PRO 8 4.219 1.253 -11.673 69 2HG PRO 8 3HG PRO 8 5.845 1.923 -11.365 70 1HD PRO 8 2HD PRO 8 4.169 1.169 -9.366 71 2HD PRO 8 3HD PRO 8 5.262 2.563 -9.175 72 H THR 9 H THR 9 1.905 1.453 -10.586 73 HA THR 9 HA THR 9 -0.297 1.966 -12.491 74 HB THR 9 HB THR 9 1.208 0.013 -12.682 75 HG1 THR 9 1HG THR 9 -0.608 -1.424 -13.030 76 1HG2 THR 9 1HG2 THR 9 -0.149 -1.004 -10.177 77 2HG2 THR 9 2HG2 THR 9 0.708 -1.976 -11.371 78 3HG2 THR 9 3HG2 THR 9 1.584 -0.722 -10.449 79 H ILE 10 H ILE 10 -0.244 3.375 -9.755 80 HA ILE 10 HA ILE 10 -2.482 2.552 -8.431 81 HB ILE 10 HB ILE 10 -0.960 4.939 -8.728 82 1HG1 ILE 10 2HG1 ILE 10 -3.275 4.119 -7.025 83 2HG1 ILE 10 3HG1 ILE 10 -1.568 3.917 -6.666 84 1HG2 ILE 10 1HG2 ILE 10 -3.875 5.679 -9.087 85 2HG2 ILE 10 2HG2 ILE 10 -2.474 6.758 -8.951 86 3HG2 ILE 10 3HG2 ILE 10 -2.654 5.743 -10.383 87 1HD1 ILE 10 1HD1 ILE 10 -2.368 5.727 -5.306 88 2HD1 ILE 10 2HD1 ILE 10 -1.315 6.416 -6.556 89 3HD1 ILE 10 3HD1 ILE 10 -3.086 6.555 -6.696 90 H ALA 11 H ALA 11 -4.748 3.253 -8.635 91 HA ALA 11 HA ALA 11 -6.751 3.049 -9.653 92 1HB ALA 11 1HB ALA 11 -5.444 4.685 -11.862 93 2HB ALA 11 2HB ALA 11 -7.176 4.551 -11.512 94 3HB ALA 11 3HB ALA 11 -6.102 5.337 -10.344 95 H CYS 12 H CYS 12 -4.734 0.936 -10.263 96 HA CYS 12 HA CYS 12 -5.507 -0.046 -12.928 97 1HB CYS 12 2HB CYS 12 -3.255 -0.370 -12.394 98 2HB CYS 12 3HB CYS 12 -3.615 -0.940 -10.756 99 HG CYS 12 HG CYS 12 -4.440 -2.363 -13.625 100 H GLU 13 H GLU 13 -5.573 -1.541 -9.643 101 HA GLU 13 HA GLU 13 -7.732 -3.301 -10.511 102 1HB GLU 13 2HB GLU 13 -5.579 -3.813 -9.095 103 2HB GLU 13 3HB GLU 13 -6.551 -3.335 -7.711 104 1HG GLU 13 2HG GLU 13 -7.287 -5.468 -9.777 105 2HG GLU 13 3HG GLU 13 -6.528 -5.779 -8.217 106 H ALA 14 H ALA 14 -7.538 -1.689 -7.314 107 HA ALA 14 HA ALA 14 -9.947 -0.052 -7.940 108 1HB ALA 14 1HB ALA 14 -11.012 -0.758 -5.859 109 2HB ALA 14 2HB ALA 14 -10.708 -2.172 -6.887 110 3HB ALA 14 3HB ALA 14 -9.652 -1.849 -5.497 111 H CYS 15 H CYS 15 -7.184 0.631 -7.837 112 HA CYS 15 HA CYS 15 -5.892 2.261 -7.172 113 1HB CYS 15 2HB CYS 15 -8.414 3.320 -6.397 114 2HB CYS 15 3HB CYS 15 -7.351 3.556 -4.997 115 HG CYS 15 HG CYS 15 -7.397 5.680 -6.491 116 H ALA 16 H ALA 16 -4.329 2.742 -5.648 117 HA ALA 16 HA ALA 16 -3.474 0.553 -4.140 118 1HB ALA 16 1HB ALA 16 -1.974 2.306 -4.938 119 2HB ALA 16 2HB ALA 16 -2.675 3.470 -3.786 120 3HB ALA 16 3HB ALA 16 -1.771 2.057 -3.194 121 H GLU 17 H GLU 17 -5.619 3.177 -3.093 122 HA GLU 17 HA GLU 17 -5.357 2.837 -0.328 123 1HB GLU 17 2HB GLU 17 -7.343 4.054 -0.091 124 2HB GLU 17 3HB GLU 17 -6.501 4.685 -1.494 125 1HG GLU 17 2HG GLU 17 -8.534 4.570 -2.476 126 2HG GLU 17 3HG GLU 17 -8.158 2.866 -2.740 127 H ALA 18 H ALA 18 -7.001 0.788 -2.726 128 HA ALA 18 HA ALA 18 -8.479 -0.890 -1.008 129 1HB ALA 18 1HB ALA 18 -8.511 -0.994 -3.487 130 2HB ALA 18 2HB ALA 18 -6.871 -1.683 -3.476 131 3HB ALA 18 3HB ALA 18 -8.215 -2.581 -2.747 132 H VAL 19 H VAL 19 -4.938 -0.956 -1.841 133 HA VAL 19 HA VAL 19 -4.551 -3.353 -0.291 134 HB VAL 19 HB VAL 19 -2.947 -2.349 -2.144 135 1HG1 VAL 19 1HG1 VAL 19 -0.922 -1.383 -1.209 136 2HG1 VAL 19 2HG1 VAL 19 -2.220 -0.341 -0.668 137 3HG1 VAL 19 3HG1 VAL 19 -1.512 -1.524 0.445 138 1HG2 VAL 19 1HG2 VAL 19 -2.224 -3.906 0.388 139 2HG2 VAL 19 2HG2 VAL 19 -2.832 -4.578 -1.141 140 3HG2 VAL 19 3HG2 VAL 19 -1.230 -3.840 -1.058 141 H THR 20 H THR 20 -4.345 0.143 0.328 142 HA THR 20 HA THR 20 -3.171 0.044 2.922 143 HB THR 20 HB THR 20 -5.201 1.953 1.695 144 HG1 THR 20 1HG THR 20 -3.042 1.822 0.866 145 1HG2 THR 20 1HG2 THR 20 -4.479 3.513 3.503 146 2HG2 THR 20 2HG2 THR 20 -5.628 2.247 3.969 147 3HG2 THR 20 3HG2 THR 20 -3.918 2.069 4.391 148 H LYS 21 H LYS 21 -6.618 -0.154 1.955 149 HA LYS 21 HA LYS 21 -7.651 -0.572 4.583 150 1HB LYS 21 2HB LYS 21 -8.761 -1.467 1.898 151 2HB LYS 21 3HB LYS 21 -9.683 -1.332 3.399 152 1HG LYS 21 2HG LYS 21 -8.204 1.150 2.608 153 2HG LYS 21 3HG LYS 21 -9.416 0.629 1.456 154 1HD LYS 21 2HD LYS 21 -11.162 0.727 3.115 155 2HD LYS 21 3HD LYS 21 -9.986 0.943 4.437 156 1HE LYS 21 2HE LYS 21 -9.263 3.117 3.429 157 2HE LYS 21 3HE LYS 21 -10.441 2.907 2.124 158 1HZ LYS 21 1HZ LYS 21 -11.234 4.353 3.843 159 2HZ LYS 21 2HZ LYS 21 -12.186 3.018 3.739 160 3HZ LYS 21 3HZ LYS 21 -11.107 3.169 4.981 161 H ALA 22 H ALA 22 -6.584 -2.848 2.041 162 HA ALA 22 HA ALA 22 -7.264 -5.248 3.388 163 1HB ALA 22 1HB ALA 22 -5.624 -6.360 2.030 164 2HB ALA 22 2HB ALA 22 -6.524 -5.182 1.041 165 3HB ALA 22 3HB ALA 22 -4.864 -4.825 1.585 166 H VAL 23 H VAL 23 -4.130 -3.541 3.361 167 HA VAL 23 HA VAL 23 -2.676 -5.217 5.086 168 HB VAL 23 HB VAL 23 -2.433 -2.262 4.414 169 1HG1 VAL 23 1HG1 VAL 23 -0.017 -2.525 5.037 170 2HG1 VAL 23 2HG1 VAL 23 -1.099 -2.637 6.440 171 3HG1 VAL 23 3HG1 VAL 23 -0.392 -4.110 5.733 172 1HG2 VAL 23 1HG2 VAL 23 -1.128 -2.869 2.625 173 2HG2 VAL 23 2HG2 VAL 23 -0.581 -4.390 3.358 174 3HG2 VAL 23 3HG2 VAL 23 -2.187 -4.281 2.643 175 H GLN 24 H GLN 24 -4.700 -2.327 5.765 176 HA GLN 24 HA GLN 24 -4.276 -2.152 8.539 177 1HB GLN 24 2HB GLN 24 -6.738 -1.582 6.873 178 2HB GLN 24 3HB GLN 24 -6.620 -1.174 8.578 179 1HG GLN 24 2HG GLN 24 -4.359 -0.200 6.851 180 2HG GLN 24 3HG GLN 24 -5.939 0.525 6.560 181 1HE2 GLN 24 1HE2 GLN 24 -3.160 0.997 8.311 182 2HE2 GLN 24 2HE2 GLN 24 -3.846 1.956 9.602 183 H ASN 25 H ASN 25 -5.919 -4.840 6.870 184 HA ASN 25 HA ASN 25 -7.430 -5.659 9.230 185 1HB ASN 25 2HB ASN 25 -6.317 -7.334 6.936 186 2HB ASN 25 3HB ASN 25 -7.298 -7.947 8.262 187 1HD2 ASN 25 1HD2 ASN 25 -7.338 -5.994 5.374 188 2HD2 ASN 25 2HD2 ASN 25 -9.094 -5.875 5.234 189 H GLU 26 H GLU 26 -4.237 -6.624 7.894 190 HA GLU 26 HA GLU 26 -3.582 -8.253 10.202 191 1HB GLU 26 2HB GLU 26 -1.868 -7.252 7.880 192 2HB GLU 26 3HB GLU 26 -1.399 -8.460 9.081 193 1HG GLU 26 2HG GLU 26 -3.923 -9.342 8.065 194 2HG GLU 26 3HG GLU 26 -3.003 -8.796 6.662 195 H ASP 27 H ASP 27 -2.284 -5.176 8.878 196 HA ASP 27 HA ASP 27 -0.804 -4.738 11.395 197 1HB ASP 27 2HB ASP 27 0.188 -4.565 8.990 198 2HB ASP 27 3HB ASP 27 -0.631 -3.020 8.886 199 H ALA 28 H ALA 28 -3.060 -4.510 12.361 200 HA ALA 28 HA ALA 28 -4.808 -2.394 11.502 201 1HB ALA 28 1HB ALA 28 -5.625 -4.401 12.683 202 2HB ALA 28 2HB ALA 28 -4.742 -3.908 14.149 203 3HB ALA 28 3HB ALA 28 -6.085 -2.918 13.539 204 H GLN 29 H GLN 29 -2.110 -2.484 13.638 205 HA GLN 29 HA GLN 29 -2.733 0.094 14.908 206 1HB GLN 29 2HB GLN 29 -0.653 -0.317 16.095 207 2HB GLN 29 3HB GLN 29 -1.822 -1.613 16.315 208 1HG GLN 29 2HG GLN 29 -0.592 -3.091 14.862 209 2HG GLN 29 3HG GLN 29 0.459 -1.778 14.298 210 1HE2 GLN 29 1HE2 GLN 29 1.778 -3.935 15.132 211 2HE2 GLN 29 2HE2 GLN 29 2.454 -3.684 16.737 212 H ALA 30 H ALA 30 -1.641 -0.626 11.814 213 HA ALA 30 HA ALA 30 0.630 1.209 11.780 214 1HB ALA 30 1HB ALA 30 0.481 0.857 9.306 215 2HB ALA 30 2HB ALA 30 0.632 -0.624 10.253 216 3HB ALA 30 3HB ALA 30 -0.946 -0.158 9.566 217 H THR 31 H THR 31 0.733 3.012 10.291 218 HA THR 31 HA THR 31 -1.821 4.524 9.922 219 HB THR 31 HB THR 31 0.888 5.450 10.932 220 HG1 THR 31 1HG THR 31 -0.869 4.627 12.300 221 1HG2 THR 31 1HG2 THR 31 0.178 7.120 9.252 222 2HG2 THR 31 2HG2 THR 31 -1.449 7.167 9.979 223 3HG2 THR 31 3HG2 THR 31 -0.041 7.749 10.891 224 H VAL 32 H VAL 32 -1.931 5.688 7.975 225 HA VAL 32 HA VAL 32 -0.113 4.738 5.814 226 HB VAL 32 HB VAL 32 -2.282 4.424 4.534 227 1HG1 VAL 32 1HG1 VAL 32 -2.716 2.288 6.358 228 2HG1 VAL 32 2HG1 VAL 32 -1.715 2.285 4.903 229 3HG1 VAL 32 3HG1 VAL 32 -0.998 2.657 6.473 230 1HG2 VAL 32 1HG2 VAL 32 -3.809 5.659 6.098 231 2HG2 VAL 32 2HG2 VAL 32 -4.349 4.013 5.791 232 3HG2 VAL 32 3HG2 VAL 32 -3.560 4.390 7.316 233 H GLN 33 H GLN 33 0.381 6.339 4.266 234 HA GLN 33 HA GLN 33 -1.312 8.764 4.105 235 1HB GLN 33 2HB GLN 33 1.565 8.515 5.010 236 2HB GLN 33 3HB GLN 33 1.171 9.853 3.935 237 1HG GLN 33 2HG GLN 33 -0.304 9.311 6.543 238 2HG GLN 33 3HG GLN 33 1.069 10.410 6.369 239 1HE2 GLN 33 1HE2 GLN 33 -1.072 11.664 7.339 240 2HE2 GLN 33 2HE2 GLN 33 -1.860 12.604 6.082 241 H VAL 34 H VAL 34 -2.054 8.176 2.074 242 HA VAL 34 HA VAL 34 0.000 7.621 -0.014 243 HB VAL 34 HB VAL 34 -1.306 5.678 0.315 244 1HG1 VAL 34 1HG1 VAL 34 -3.732 5.566 -0.030 245 2HG1 VAL 34 2HG1 VAL 34 -3.307 6.500 1.410 246 3HG1 VAL 34 3HG1 VAL 34 -3.823 7.333 -0.066 247 1HG2 VAL 34 1HG2 VAL 34 -2.119 5.329 -1.927 248 2HG2 VAL 34 2HG2 VAL 34 -2.311 7.071 -2.198 249 3HG2 VAL 34 3HG2 VAL 34 -0.692 6.379 -2.006 250 H ASP 35 H ASP 35 0.313 9.147 -1.505 251 HA ASP 35 HA ASP 35 -1.612 11.405 -1.654 252 1HB ASP 35 2HB ASP 35 1.077 10.941 -2.945 253 2HB ASP 35 3HB ASP 35 0.101 12.394 -3.106 254 H LEU 36 H LEU 36 -3.309 10.012 -2.600 255 HA LEU 36 HA LEU 36 -3.098 8.791 -5.173 256 1HB LEU 36 2HB LEU 36 -5.444 10.176 -3.797 257 2HB LEU 36 3HB LEU 36 -5.531 9.520 -5.429 258 HG LEU 36 HG LEU 36 -4.547 7.315 -4.272 259 1HD1 LEU 36 1HD1 LEU 36 -5.502 6.950 -2.066 260 2HD1 LEU 36 2HD1 LEU 36 -4.471 8.391 -1.992 261 3HD1 LEU 36 3HD1 LEU 36 -6.236 8.568 -2.057 262 1HD2 LEU 36 1HD2 LEU 36 -6.865 6.501 -4.133 263 2HD2 LEU 36 2HD2 LEU 36 -7.468 8.172 -4.198 264 3HD2 LEU 36 3HD2 LEU 36 -6.610 7.480 -5.590 265 H THR 37 H THR 37 -3.087 12.199 -4.262 266 HA THR 37 HA THR 37 -3.454 13.629 -6.507 267 HB THR 37 HB THR 37 -0.927 13.867 -4.840 268 HG1 THR 37 1HG THR 37 -2.193 14.587 -3.131 269 1HG2 THR 37 1HG2 THR 37 -1.519 16.256 -4.835 270 2HG2 THR 37 2HG2 THR 37 -1.454 15.646 -6.499 271 3HG2 THR 37 3HG2 THR 37 -3.026 15.907 -5.710 272 H SER 38 H SER 38 -0.764 11.349 -5.897 273 HA SER 38 HA SER 38 0.164 11.710 -8.700 274 1HB SER 38 2HB SER 38 1.985 11.712 -6.257 275 2HB SER 38 3HB SER 38 2.491 11.766 -7.968 276 HG SER 38 HG SER 38 1.061 13.723 -8.004 277 H LYS 39 H LYS 39 2.227 9.742 -6.842 278 HA LYS 39 HA LYS 39 0.791 7.246 -7.310 279 1HB LYS 39 2HB LYS 39 2.493 6.491 -9.033 280 2HB LYS 39 3HB LYS 39 1.283 7.658 -9.533 281 1HG LYS 39 2HG LYS 39 3.171 9.463 -9.011 282 2HG LYS 39 3HG LYS 39 4.263 8.093 -9.151 283 1HD LYS 39 2HD LYS 39 2.145 8.727 -11.262 284 2HD LYS 39 3HD LYS 39 3.648 9.644 -11.214 285 1HE LYS 39 2HE LYS 39 5.008 7.824 -11.760 286 2HE LYS 39 3HE LYS 39 3.818 6.641 -11.242 287 1HZ LYS 39 1HZ LYS 39 3.533 8.331 -13.633 288 2HZ LYS 39 2HZ LYS 39 3.992 6.753 -13.629 289 3HZ LYS 39 3HZ LYS 39 2.481 7.161 -13.139 290 H LYS 40 H LYS 40 1.933 8.575 -5.066 291 HA LYS 40 HA LYS 40 4.245 6.855 -4.310 292 1HB LYS 40 2HB LYS 40 5.100 8.766 -3.036 293 2HB LYS 40 3HB LYS 40 4.963 9.142 -4.760 294 1HG LYS 40 2HG LYS 40 2.657 10.172 -4.170 295 2HG LYS 40 3HG LYS 40 3.156 10.077 -2.484 296 1HD LYS 40 2HD LYS 40 4.744 11.438 -4.694 297 2HD LYS 40 3HD LYS 40 3.421 12.261 -3.877 298 1HE LYS 40 2HE LYS 40 5.763 11.068 -2.325 299 2HE LYS 40 3HE LYS 40 5.807 12.713 -2.977 300 1HZ LYS 40 1HZ LYS 40 3.682 11.789 -1.133 301 2HZ LYS 40 2HZ LYS 40 5.030 12.603 -0.655 302 3HZ LYS 40 3HZ LYS 40 3.917 13.286 -1.653 303 H VAL 41 H VAL 41 4.149 5.978 -2.217 304 HA VAL 41 HA VAL 41 1.819 6.646 -0.538 305 HB VAL 41 HB VAL 41 0.995 4.789 -1.797 306 1HG1 VAL 41 1HG1 VAL 41 3.595 3.386 -1.157 307 2HG1 VAL 41 2HG1 VAL 41 2.178 2.588 -1.862 308 3HG1 VAL 41 3HG1 VAL 41 3.020 3.855 -2.771 309 1HG2 VAL 41 1HG2 VAL 41 2.053 3.608 0.794 310 2HG2 VAL 41 2HG2 VAL 41 0.712 4.766 0.736 311 3HG2 VAL 41 3HG2 VAL 41 0.560 3.188 -0.063 312 H THR 42 H THR 42 2.264 6.683 1.603 313 HA THR 42 HA THR 42 4.992 5.887 2.433 314 HB THR 42 HB THR 42 3.361 8.344 3.207 315 HG1 THR 42 1HG THR 42 4.950 9.430 2.114 316 1HG2 THR 42 1HG2 THR 42 5.447 8.992 4.453 317 2HG2 THR 42 2HG2 THR 42 4.638 7.582 5.149 318 3HG2 THR 42 3HG2 THR 42 6.086 7.363 4.152 319 H ILE 43 H ILE 43 4.774 4.270 3.957 320 HA ILE 43 HA ILE 43 2.213 4.114 5.529 321 HB ILE 43 HB ILE 43 4.018 1.812 4.766 322 1HG1 ILE 43 2HG1 ILE 43 3.039 2.510 2.695 323 2HG1 ILE 43 3HG1 ILE 43 2.197 1.079 3.262 324 1HG2 ILE 43 1HG2 ILE 43 2.770 1.501 6.854 325 2HG2 ILE 43 2HG2 ILE 43 1.254 1.899 6.056 326 3HG2 ILE 43 3HG2 ILE 43 2.139 0.434 5.595 327 1HD1 ILE 43 1HD1 ILE 43 0.366 2.597 4.164 328 2HD1 ILE 43 2HD1 ILE 43 1.137 3.917 3.270 329 3HD1 ILE 43 3HD1 ILE 43 0.521 2.499 2.412 330 H THR 44 H THR 44 2.475 4.306 7.678 331 HA THR 44 HA THR 44 5.237 4.243 8.842 332 HB THR 44 HB THR 44 2.704 5.645 9.724 333 HG1 THR 44 1HG THR 44 4.084 6.472 7.980 334 1HG2 THR 44 1HG2 THR 44 4.165 6.644 11.487 335 2HG2 THR 44 2HG2 THR 44 3.934 4.903 11.730 336 3HG2 THR 44 3HG2 THR 44 5.458 5.513 11.040 337 H SER 45 H SER 45 5.487 2.090 9.166 338 HA SER 45 HA SER 45 3.787 0.686 11.117 339 1HB SER 45 2HB SER 45 3.661 -1.246 9.511 340 2HB SER 45 3HB SER 45 2.643 0.085 9.020 341 HG SER 45 HG SER 45 5.329 -0.238 8.122 342 H ALA 46 H ALA 46 5.027 -1.023 12.087 343 HA ALA 46 HA ALA 46 7.894 -1.083 11.425 344 1HB ALA 46 1HB ALA 46 6.379 -2.765 13.441 345 2HB ALA 46 2HB ALA 46 8.132 -2.497 13.326 346 3HB ALA 46 3HB ALA 46 7.062 -1.153 13.772 347 H LEU 47 H LEU 47 5.002 -3.031 10.740 348 HA LEU 47 HA LEU 47 6.754 -5.254 9.704 349 1HB LEU 47 2HB LEU 47 5.157 -6.841 10.296 350 2HB LEU 47 3HB LEU 47 5.481 -5.820 11.688 351 HG LEU 47 HG LEU 47 3.296 -4.565 11.084 352 1HD1 LEU 47 1HD1 LEU 47 2.998 -7.116 9.409 353 2HD1 LEU 47 2HD1 LEU 47 1.608 -6.203 10.009 354 3HD1 LEU 47 3HD1 LEU 47 2.712 -5.445 8.879 355 1HD2 LEU 47 1HD2 LEU 47 3.560 -6.031 13.032 356 2HD2 LEU 47 2HD2 LEU 47 1.959 -6.223 12.307 357 3HD2 LEU 47 3HD2 LEU 47 3.208 -7.455 12.023 358 H GLY 48 H GLY 48 4.072 -3.117 8.974 359 1HA GLY 48 2HA GLY 48 3.038 -3.879 6.671 360 2HA GLY 48 3HA GLY 48 3.544 -2.220 6.928 361 H GLU 49 H GLU 49 6.460 -2.715 6.949 362 HA GLU 49 HA GLU 49 7.067 -2.444 4.295 363 1HB GLU 49 2HB GLU 49 8.501 -2.126 6.414 364 2HB GLU 49 3HB GLU 49 8.865 -3.848 6.344 365 1HG GLU 49 2HG GLU 49 9.892 -3.549 4.117 366 2HG GLU 49 3HG GLU 49 9.397 -1.848 4.097 367 H GLU 50 H GLU 50 7.166 -5.575 6.061 368 HA GLU 50 HA GLU 50 7.549 -7.061 3.553 369 1HB GLU 50 2HB GLU 50 7.571 -7.727 6.452 370 2HB GLU 50 3HB GLU 50 6.769 -8.924 5.442 371 1HG GLU 50 2HG GLU 50 8.754 -8.953 3.911 372 2HG GLU 50 3HG GLU 50 9.590 -7.856 5.031 373 H GLN 51 H GLN 51 4.885 -6.440 5.864 374 HA GLN 51 HA GLN 51 3.103 -8.275 4.771 375 1HB GLN 51 2HB GLN 51 3.039 -6.718 6.907 376 2HB GLN 51 3HB GLN 51 2.029 -5.683 5.891 377 1HG GLN 51 2HG GLN 51 1.544 -8.630 6.520 378 2HG GLN 51 3HG GLN 51 0.766 -7.272 7.341 379 1HE2 GLN 51 1HE2 GLN 51 -0.631 -9.400 5.898 380 2HE2 GLN 51 2HE2 GLN 51 -1.428 -8.639 4.530 381 H LEU 52 H LEU 52 3.418 -4.814 3.943 382 HA LEU 52 HA LEU 52 1.569 -4.454 1.913 383 1HB LEU 52 2HB LEU 52 4.428 -3.448 2.215 384 2HB LEU 52 3HB LEU 52 3.335 -2.835 0.986 385 HG LEU 52 HG LEU 52 2.510 -2.721 3.892 386 1HD1 LEU 52 1HD1 LEU 52 4.813 -1.651 3.527 387 2HD1 LEU 52 2HD1 LEU 52 4.034 -0.536 2.400 388 3HD1 LEU 52 3HD1 LEU 52 3.555 -0.572 4.115 389 1HD2 LEU 52 1HD2 LEU 52 0.887 -2.309 1.969 390 2HD2 LEU 52 2HD2 LEU 52 1.049 -0.980 3.132 391 3HD2 LEU 52 3HD2 LEU 52 1.851 -0.892 1.546 392 H ARG 53 H ARG 53 4.868 -5.897 1.694 393 HA ARG 53 HA ARG 53 5.006 -6.037 -1.098 394 1HB ARG 53 2HB ARG 53 6.671 -6.747 0.928 395 2HB ARG 53 3HB ARG 53 6.052 -8.346 0.545 396 1HG ARG 53 2HG ARG 53 8.013 -8.105 -0.696 397 2HG ARG 53 3HG ARG 53 6.732 -7.890 -1.892 398 1HD ARG 53 2HD ARG 53 7.056 -5.530 -2.004 399 2HD ARG 53 3HD ARG 53 7.910 -5.444 -0.476 400 HE ARG 53 HE ARG 53 9.020 -5.920 -3.085 401 1HH1 ARG 53 2HH2 ARG 53 9.452 -6.679 0.324 402 2HH1 ARG 53 1HH2 ARG 53 11.170 -6.913 0.246 403 1HH2 ARG 53 2HH1 ARG 53 11.313 -6.202 -3.257 404 2HH2 ARG 53 1HH1 ARG 53 12.246 -6.670 -1.873 405 H THR 54 H THR 54 3.706 -8.434 1.209 406 HA THR 54 HA THR 54 2.853 -10.245 -0.900 407 HB THR 54 HB THR 54 2.203 -10.260 2.071 408 HG1 THR 54 1HG THR 54 4.438 -10.413 1.535 409 1HG2 THR 54 1HG2 THR 54 1.974 -12.395 -0.110 410 2HG2 THR 54 2HG2 THR 54 1.840 -12.706 1.632 411 3HG2 THR 54 3HG2 THR 54 0.633 -11.692 0.823 412 H ALA 55 H ALA 55 1.152 -7.890 1.240 413 HA ALA 55 HA ALA 55 -1.474 -8.537 0.375 414 1HB ALA 55 1HB ALA 55 -0.356 -5.900 1.405 415 2HB ALA 55 2HB ALA 55 -2.080 -6.333 1.294 416 3HB ALA 55 3HB ALA 55 -1.010 -7.236 2.379 417 H ILE 56 H ILE 56 0.728 -5.927 -0.730 418 HA ILE 56 HA ILE 56 -0.820 -5.032 -2.927 419 HB ILE 56 HB ILE 56 2.217 -5.142 -2.756 420 1HG1 ILE 56 2HG1 ILE 56 0.453 -2.723 -2.236 421 2HG1 ILE 56 3HG1 ILE 56 0.952 -3.755 -0.895 422 1HG2 ILE 56 1HG2 ILE 56 0.281 -3.487 -4.431 423 2HG2 ILE 56 2HG2 ILE 56 2.054 -3.323 -4.429 424 3HG2 ILE 56 3HG2 ILE 56 1.328 -4.781 -5.062 425 1HD1 ILE 56 1HD1 ILE 56 2.808 -2.198 -2.719 426 2HD1 ILE 56 2HD1 ILE 56 2.432 -1.875 -1.026 427 3HD1 ILE 56 3HD1 ILE 56 3.336 -3.340 -1.469 428 H ALA 57 H ALA 57 1.717 -7.669 -2.843 429 HA ALA 57 HA ALA 57 1.411 -8.393 -5.540 430 1HB ALA 57 1HB ALA 57 3.171 -9.300 -4.086 431 2HB ALA 57 2HB ALA 57 1.962 -10.254 -3.196 432 3HB ALA 57 3HB ALA 57 2.270 -10.588 -4.908 433 H SER 58 H SER 58 -0.578 -9.345 -2.740 434 HA SER 58 HA SER 58 -2.270 -11.208 -3.985 435 1HB SER 58 2HB SER 58 -2.101 -10.324 -1.469 436 2HB SER 58 3HB SER 58 -3.415 -9.253 -1.983 437 HG SER 58 HG SER 58 -3.366 -12.087 -2.120 438 H ALA 59 H ALA 59 -2.547 -7.634 -3.822 439 HA ALA 59 HA ALA 59 -4.975 -7.509 -5.415 440 1HB ALA 59 1HB ALA 59 -2.899 -5.391 -4.743 441 2HB ALA 59 2HB ALA 59 -4.481 -5.091 -5.503 442 3HB ALA 59 3HB ALA 59 -4.396 -5.733 -3.849 443 H GLY 60 H GLY 60 -1.507 -7.273 -6.131 444 1HA GLY 60 2HA GLY 60 -0.433 -7.838 -8.106 445 2HA GLY 60 3HA GLY 60 -1.969 -7.860 -8.976 446 H HIS 61 H HIS 61 0.174 -5.526 -7.236 447 HA HIS 61 HA HIS 61 -0.001 -3.711 -9.609 448 1HB HIS 61 2HB HIS 61 0.096 -2.926 -6.687 449 2HB HIS 61 3HB HIS 61 0.387 -1.813 -8.022 450 HD1 HIS 61 1HD HIS 61 -1.797 -0.620 -8.971 451 HD2 HIS 61 2HD HIS 61 -2.410 -3.907 -6.407 452 HE1 HIS 61 1HE HIS 61 -4.222 -0.538 -8.250 453 H GLU 62 H GLU 62 1.895 -2.857 -10.268 454 HA GLU 62 HA GLU 62 4.368 -4.212 -9.655 455 1HB GLU 62 2HB GLU 62 3.703 -1.909 -11.558 456 2HB GLU 62 3HB GLU 62 5.158 -2.910 -11.592 457 1HG GLU 62 2HG GLU 62 2.340 -4.016 -12.071 458 2HG GLU 62 3HG GLU 62 3.453 -3.486 -13.332 459 H VAL 63 H VAL 63 3.821 -3.096 -7.384 460 HA VAL 63 HA VAL 63 4.761 -0.314 -7.173 461 HB VAL 63 HB VAL 63 4.092 -2.283 -4.953 462 1HG1 VAL 63 1HG1 VAL 63 4.156 0.765 -4.949 463 2HG1 VAL 63 2HG1 VAL 63 3.710 -0.266 -3.593 464 3HG1 VAL 63 3HG1 VAL 63 5.373 -0.282 -4.187 465 1HG2 VAL 63 1HG2 VAL 63 1.868 -0.996 -4.969 466 2HG2 VAL 63 2HG2 VAL 63 2.380 -0.327 -6.532 467 3HG2 VAL 63 3HG2 VAL 63 2.145 -2.065 -6.353 468 H GLU 64 H GLU 64 6.729 0.380 -6.291 469 HA GLU 64 HA GLU 64 8.746 -1.678 -5.541 470 1HB GLU 64 2HB GLU 64 9.084 -0.503 -7.880 471 2HB GLU 64 3HB GLU 64 9.417 0.940 -6.906 472 1HG GLU 64 2HG GLU 64 11.538 -0.028 -7.337 473 2HG GLU 64 3HG GLU 64 11.174 -0.521 -5.676 Start of MODEL 5 1 1H MET 1 H1 MET 1 11.381 1.605 8.216 2 2H MET 1 H2 MET 1 11.452 1.027 9.778 3 3H MET 1 H3 MET 1 10.049 0.930 8.902 4 HA MET 1 HA MET 1 9.751 2.735 10.324 5 1HB MET 1 2HB MET 1 12.426 2.916 10.490 6 2HB MET 1 3HB MET 1 12.234 4.060 9.168 7 1HG MET 1 2HG MET 1 12.226 5.357 11.156 8 2HG MET 1 3HG MET 1 10.547 5.294 10.630 9 1HE MET 1 1HE MET 1 12.333 3.139 14.321 10 2HE MET 1 2HE MET 1 12.812 2.645 12.689 11 3HE MET 1 3HE MET 1 13.208 4.279 13.277 12 H THR 2 H THR 2 8.274 4.187 9.324 13 HA THR 2 HA THR 2 7.005 4.976 7.544 14 HB THR 2 HB THR 2 8.138 6.980 6.620 15 HG1 THR 2 1HG THR 2 10.220 5.935 6.547 16 1HG2 THR 2 1HG2 THR 2 8.513 8.123 8.748 17 2HG2 THR 2 2HG2 THR 2 7.084 7.080 8.856 18 3HG2 THR 2 3HG2 THR 2 8.618 6.578 9.608 19 H ILE 3 H ILE 3 6.790 3.022 6.198 20 HA ILE 3 HA ILE 3 8.900 2.476 4.250 21 HB ILE 3 HB ILE 3 6.179 1.186 4.664 22 1HG1 ILE 3 2HG1 ILE 3 7.372 0.990 6.755 23 2HG1 ILE 3 3HG1 ILE 3 7.309 -0.556 5.929 24 1HG2 ILE 3 1HG2 ILE 3 8.663 0.237 3.186 25 2HG2 ILE 3 2HG2 ILE 3 7.226 -0.750 3.530 26 3HG2 ILE 3 3HG2 ILE 3 7.091 0.667 2.490 27 1HD1 ILE 3 1HD1 ILE 3 9.489 -0.225 6.946 28 2HD1 ILE 3 2HD1 ILE 3 9.665 -0.289 5.188 29 3HD1 ILE 3 3HD1 ILE 3 9.739 1.271 6.029 30 H GLN 4 H GLN 4 8.982 4.071 2.720 31 HA GLN 4 HA GLN 4 6.508 4.975 1.400 32 1HB GLN 4 2HB GLN 4 8.499 6.509 2.189 33 2HB GLN 4 3HB GLN 4 9.252 5.983 0.672 34 1HG GLN 4 2HG GLN 4 6.940 6.608 -0.424 35 2HG GLN 4 3HG GLN 4 6.611 7.359 1.147 36 1HE2 GLN 4 1HE2 GLN 4 9.445 7.376 -1.090 37 2HE2 GLN 4 2HE2 GLN 4 9.544 9.127 -1.140 38 H LEU 5 H LEU 5 5.805 3.821 -0.327 39 HA LEU 5 HA LEU 5 7.807 2.564 -2.176 40 1HB LEU 5 2HB LEU 5 4.945 1.654 -1.835 41 2HB LEU 5 3HB LEU 5 6.271 0.848 -2.658 42 HG LEU 5 HG LEU 5 6.038 1.236 0.361 43 1HD1 LEU 5 1HD1 LEU 5 5.670 -1.207 0.369 44 2HD1 LEU 5 2HD1 LEU 5 4.399 -0.331 -0.509 45 3HD1 LEU 5 3HD1 LEU 5 5.660 -1.211 -1.408 46 1HD2 LEU 5 1HD2 LEU 5 8.382 1.180 -0.314 47 2HD2 LEU 5 2HD2 LEU 5 7.965 -0.376 0.415 48 3HD2 LEU 5 3HD2 LEU 5 8.099 -0.234 -1.352 49 H THR 6 H THR 6 7.152 2.565 -4.441 50 HA THR 6 HA THR 6 5.399 4.863 -5.192 51 HB THR 6 HB THR 6 7.873 3.737 -6.527 52 HG1 THR 6 1HG THR 6 8.066 5.106 -4.657 53 1HG2 THR 6 1HG2 THR 6 6.252 4.513 -8.244 54 2HG2 THR 6 2HG2 THR 6 6.020 6.033 -7.350 55 3HG2 THR 6 3HG2 THR 6 7.592 5.658 -8.085 56 H VAL 7 H VAL 7 3.626 4.345 -6.288 57 HA VAL 7 HA VAL 7 3.225 1.554 -7.324 58 HB VAL 7 HB VAL 7 2.018 1.732 -5.358 59 1HG1 VAL 7 1HG1 VAL 7 0.347 3.435 -4.815 60 2HG1 VAL 7 2HG1 VAL 7 1.972 4.109 -4.875 61 3HG1 VAL 7 3HG1 VAL 7 0.844 4.398 -6.214 62 1HG2 VAL 7 1HG2 VAL 7 0.852 0.811 -7.423 63 2HG2 VAL 7 2HG2 VAL 7 -0.152 1.219 -6.018 64 3HG2 VAL 7 3HG2 VAL 7 -0.088 2.309 -7.401 65 HA PRO 8 HA PRO 8 3.272 4.763 -10.578 66 1HB PRO 8 2HB PRO 8 4.054 3.149 -12.696 67 2HB PRO 8 3HB PRO 8 5.181 3.925 -11.546 68 1HG PRO 8 2HG PRO 8 4.111 1.096 -11.447 69 2HG PRO 8 3HG PRO 8 5.799 1.642 -11.254 70 1HD PRO 8 2HD PRO 8 4.250 1.105 -9.126 71 2HD PRO 8 3HD PRO 8 5.376 2.482 -9.091 72 H THR 9 H THR 9 1.955 1.478 -10.607 73 HA THR 9 HA THR 9 -0.274 2.274 -12.359 74 HB THR 9 HB THR 9 1.253 0.216 -12.580 75 HG1 THR 9 1HG THR 9 -0.474 0.477 -13.917 76 1HG2 THR 9 1HG2 THR 9 0.613 -1.804 -11.651 77 2HG2 THR 9 2HG2 THR 9 0.906 -0.694 -10.279 78 3HG2 THR 9 3HG2 THR 9 -0.752 -1.146 -10.776 79 H ILE 10 H ILE 10 -0.155 3.434 -9.511 80 HA ILE 10 HA ILE 10 -2.319 2.598 -8.179 81 HB ILE 10 HB ILE 10 -0.804 4.941 -8.371 82 1HG1 ILE 10 2HG1 ILE 10 -3.290 4.227 -6.895 83 2HG1 ILE 10 3HG1 ILE 10 -1.629 3.901 -6.438 84 1HG2 ILE 10 1HG2 ILE 10 -2.200 6.830 -8.754 85 2HG2 ILE 10 2HG2 ILE 10 -2.334 5.791 -10.180 86 3HG2 ILE 10 3HG2 ILE 10 -3.645 5.824 -8.976 87 1HD1 ILE 10 1HD1 ILE 10 -2.963 6.654 -6.520 88 2HD1 ILE 10 2HD1 ILE 10 -2.478 5.756 -5.074 89 3HD1 ILE 10 3HD1 ILE 10 -1.239 6.378 -6.177 90 H ALA 11 H ALA 11 -4.587 3.237 -8.232 91 HA ALA 11 HA ALA 11 -6.641 3.260 -9.091 92 1HB ALA 11 1HB ALA 11 -7.172 4.511 -11.061 93 2HB ALA 11 2HB ALA 11 -5.935 5.374 -10.130 94 3HB ALA 11 3HB ALA 11 -5.492 4.494 -11.613 95 H CYS 12 H CYS 12 -4.244 1.627 -11.038 96 HA CYS 12 HA CYS 12 -5.497 0.245 -12.951 97 1HB CYS 12 2HB CYS 12 -3.193 -0.127 -12.461 98 2HB CYS 12 3HB CYS 12 -3.560 -0.779 -10.852 99 HG CYS 12 HG CYS 12 -4.877 -2.896 -11.708 100 H GLU 13 H GLU 13 -5.536 -0.968 -9.566 101 HA GLU 13 HA GLU 13 -7.588 -2.960 -10.307 102 1HB GLU 13 2HB GLU 13 -5.632 -3.703 -9.052 103 2HB GLU 13 3HB GLU 13 -5.951 -2.556 -7.756 104 1HG GLU 13 2HG GLU 13 -6.670 -4.804 -7.140 105 2HG GLU 13 3HG GLU 13 -8.081 -3.746 -7.237 106 H ALA 14 H ALA 14 -7.333 -1.195 -7.229 107 HA ALA 14 HA ALA 14 -9.818 0.331 -7.772 108 1HB ALA 14 1HB ALA 14 -10.592 -1.838 -6.890 109 2HB ALA 14 2HB ALA 14 -9.521 -1.668 -5.486 110 3HB ALA 14 3HB ALA 14 -10.878 -0.541 -5.716 111 H CYS 15 H CYS 15 -7.169 1.188 -7.637 112 HA CYS 15 HA CYS 15 -5.888 2.783 -6.803 113 1HB CYS 15 2HB CYS 15 -8.253 3.471 -5.012 114 2HB CYS 15 3HB CYS 15 -6.679 4.253 -4.864 115 HG CYS 15 HG CYS 15 -8.536 4.007 -7.553 116 H ALA 16 H ALA 16 -4.370 3.174 -5.237 117 HA ALA 16 HA ALA 16 -3.386 0.948 -3.829 118 1HB ALA 16 1HB ALA 16 -1.932 2.613 -2.645 119 2HB ALA 16 2HB ALA 16 -1.942 2.774 -4.412 120 3HB ALA 16 3HB ALA 16 -2.882 3.908 -3.414 121 H GLU 17 H GLU 17 -5.699 3.457 -2.701 122 HA GLU 17 HA GLU 17 -5.949 2.936 -0.072 123 1HB GLU 17 2HB GLU 17 -7.584 3.969 -2.191 124 2HB GLU 17 3HB GLU 17 -8.594 2.807 -1.341 125 1HG GLU 17 2HG GLU 17 -7.001 4.939 0.147 126 2HG GLU 17 3HG GLU 17 -8.568 5.244 -0.592 127 H ALA 18 H ALA 18 -6.955 0.708 -2.716 128 HA ALA 18 HA ALA 18 -8.308 -1.229 -1.215 129 1HB ALA 18 1HB ALA 18 -6.365 -1.683 -3.520 130 2HB ALA 18 2HB ALA 18 -7.643 -2.786 -2.972 131 3HB ALA 18 3HB ALA 18 -8.069 -1.216 -3.680 132 H VAL 19 H VAL 19 -4.722 -0.800 -1.646 133 HA VAL 19 HA VAL 19 -4.229 -3.174 -0.090 134 HB VAL 19 HB VAL 19 -2.558 -1.961 -1.788 135 1HG1 VAL 19 1HG1 VAL 19 -0.679 -0.960 -0.595 136 2HG1 VAL 19 2HG1 VAL 19 -2.103 0.019 -0.232 137 3HG1 VAL 19 3HG1 VAL 19 -1.476 -1.136 0.971 138 1HG2 VAL 19 1HG2 VAL 19 -0.817 -3.376 -0.495 139 2HG2 VAL 19 2HG2 VAL 19 -2.049 -3.625 0.711 140 3HG2 VAL 19 3HG2 VAL 19 -2.316 -4.214 -0.937 141 H THR 20 H THR 20 -4.362 0.370 0.615 142 HA THR 20 HA THR 20 -3.505 0.323 3.273 143 HB THR 20 HB THR 20 -5.786 1.894 1.986 144 HG1 THR 20 1HG THR 20 -4.238 3.272 1.510 145 1HG2 THR 20 1HG2 THR 20 -6.208 2.035 4.307 146 2HG2 THR 20 2HG2 THR 20 -4.499 2.314 4.671 147 3HG2 THR 20 3HG2 THR 20 -5.449 3.528 3.763 148 H LYS 21 H LYS 21 -6.848 -0.241 2.075 149 HA LYS 21 HA LYS 21 -7.809 -0.856 4.719 150 1HB LYS 21 2HB LYS 21 -9.142 -1.437 2.041 151 2HB LYS 21 3HB LYS 21 -9.904 -1.370 3.652 152 1HG LYS 21 2HG LYS 21 -8.678 0.990 3.784 153 2HG LYS 21 3HG LYS 21 -8.645 0.882 2.044 154 1HD LYS 21 2HD LYS 21 -11.210 0.671 3.686 155 2HD LYS 21 3HD LYS 21 -10.456 2.190 3.170 156 1HE LYS 21 2HE LYS 21 -10.502 0.993 0.754 157 2HE LYS 21 3HE LYS 21 -11.883 0.145 1.476 158 1HZ LYS 21 1HZ LYS 21 -12.536 2.199 0.388 159 2HZ LYS 21 2HZ LYS 21 -12.703 2.443 2.021 160 3HZ LYS 21 3HZ LYS 21 -11.374 3.026 1.211 161 H ALA 22 H ALA 22 -6.622 -2.876 2.069 162 HA ALA 22 HA ALA 22 -7.225 -5.393 3.263 163 1HB ALA 22 1HB ALA 22 -4.797 -4.689 1.599 164 2HB ALA 22 2HB ALA 22 -5.409 -6.314 1.955 165 3HB ALA 22 3HB ALA 22 -6.388 -5.195 0.971 166 H VAL 23 H VAL 23 -4.228 -3.471 3.479 167 HA VAL 23 HA VAL 23 -2.784 -5.231 5.154 168 HB VAL 23 HB VAL 23 -2.486 -2.298 4.407 169 1HG1 VAL 23 1HG1 VAL 23 -1.176 -2.536 6.477 170 2HG1 VAL 23 2HG1 VAL 23 -0.390 -3.993 5.816 171 3HG1 VAL 23 3HG1 VAL 23 -0.119 -2.433 5.051 172 1HG2 VAL 23 1HG2 VAL 23 -0.741 -4.644 3.569 173 2HG2 VAL 23 2HG2 VAL 23 -2.252 -4.304 2.729 174 3HG2 VAL 23 3HG2 VAL 23 -0.971 -3.072 2.772 175 H GLN 24 H GLN 24 -4.777 -2.337 5.852 176 HA GLN 24 HA GLN 24 -4.441 -2.226 8.642 177 1HB GLN 24 2HB GLN 24 -6.768 -1.647 6.796 178 2HB GLN 24 3HB GLN 24 -6.851 -1.305 8.520 179 1HG GLN 24 2HG GLN 24 -4.480 -0.284 6.919 180 2HG GLN 24 3HG GLN 24 -6.032 0.528 6.784 181 1HE2 GLN 24 1HE2 GLN 24 -3.328 1.298 8.001 182 2HE2 GLN 24 2HE2 GLN 24 -3.715 1.846 9.618 183 H ASN 25 H ASN 25 -5.975 -4.868 6.802 184 HA ASN 25 HA ASN 25 -7.683 -5.713 8.995 185 1HB ASN 25 2HB ASN 25 -6.349 -7.396 6.834 186 2HB ASN 25 3HB ASN 25 -7.519 -7.971 8.011 187 1HD2 ASN 25 1HD2 ASN 25 -7.245 -6.838 4.919 188 2HD2 ASN 25 2HD2 ASN 25 -8.954 -6.468 4.639 189 H GLU 26 H GLU 26 -4.300 -6.556 7.994 190 HA GLU 26 HA GLU 26 -3.857 -8.059 10.468 191 1HB GLU 26 2HB GLU 26 -1.991 -7.195 8.225 192 2HB GLU 26 3HB GLU 26 -1.537 -8.192 9.621 193 1HG GLU 26 2HG GLU 26 -3.379 -9.813 8.887 194 2HG GLU 26 3HG GLU 26 -3.484 -8.877 7.383 195 H ASP 27 H ASP 27 -2.398 -5.077 9.046 196 HA ASP 27 HA ASP 27 -1.348 -4.499 11.760 197 1HB ASP 27 2HB ASP 27 0.173 -4.558 9.692 198 2HB ASP 27 3HB ASP 27 -0.534 -3.030 9.221 199 H ALA 28 H ALA 28 -3.637 -4.134 12.254 200 HA ALA 28 HA ALA 28 -5.157 -1.938 11.215 201 1HB ALA 28 1HB ALA 28 -6.112 -3.844 12.472 202 2HB ALA 28 2HB ALA 28 -5.286 -3.291 13.947 203 3HB ALA 28 3HB ALA 28 -6.558 -2.289 13.209 204 H GLN 29 H GLN 29 -2.571 -2.116 13.445 205 HA GLN 29 HA GLN 29 -2.908 0.526 14.640 206 1HB GLN 29 2HB GLN 29 -0.770 -0.037 15.714 207 2HB GLN 29 3HB GLN 29 -1.986 -1.288 15.971 208 1HG GLN 29 2HG GLN 29 -0.924 -2.742 14.311 209 2HG GLN 29 3HG GLN 29 0.136 -1.417 13.787 210 1HE2 GLN 29 1HE2 GLN 29 1.535 -3.329 14.075 211 2HE2 GLN 29 2HE2 GLN 29 2.347 -3.482 15.660 212 H ALA 30 H ALA 30 -2.044 -0.289 11.489 213 HA ALA 30 HA ALA 30 0.396 1.252 11.296 214 1HB ALA 30 1HB ALA 30 -1.553 0.351 9.124 215 2HB ALA 30 2HB ALA 30 0.102 0.940 8.871 216 3HB ALA 30 3HB ALA 30 -0.186 -0.590 9.714 217 H THR 31 H THR 31 0.680 3.326 10.436 218 HA THR 31 HA THR 31 -1.777 5.013 10.080 219 HB THR 31 HB THR 31 1.088 5.822 10.641 220 HG1 THR 31 1HG THR 31 -0.212 4.882 12.370 221 1HG2 THR 31 1HG2 THR 31 -0.084 7.524 9.268 222 2HG2 THR 31 2HG2 THR 31 -1.465 7.480 10.388 223 3HG2 THR 31 3HG2 THR 31 0.107 8.092 10.936 224 H VAL 32 H VAL 32 -2.128 5.772 8.051 225 HA VAL 32 HA VAL 32 -0.211 4.981 5.895 226 HB VAL 32 HB VAL 32 -2.223 4.731 4.480 227 1HG1 VAL 32 1HG1 VAL 32 -2.336 2.516 4.978 228 2HG1 VAL 32 2HG1 VAL 32 -1.050 2.890 6.122 229 3HG1 VAL 32 3HG1 VAL 32 -2.721 2.795 6.691 230 1HG2 VAL 32 1HG2 VAL 32 -3.802 4.903 7.103 231 2HG2 VAL 32 2HG2 VAL 32 -3.844 6.101 5.793 232 3HG2 VAL 32 3HG2 VAL 32 -4.449 4.473 5.526 233 H GLN 33 H GLN 33 0.275 6.436 4.364 234 HA GLN 33 HA GLN 33 -1.324 8.904 4.061 235 1HB GLN 33 2HB GLN 33 1.672 8.706 4.595 236 2HB GLN 33 3HB GLN 33 0.968 10.092 3.752 237 1HG GLN 33 2HG GLN 33 0.220 9.170 6.569 238 2HG GLN 33 3HG GLN 33 1.368 10.453 6.185 239 1HE2 GLN 33 1HE2 GLN 33 -0.721 11.132 7.819 240 2HE2 GLN 33 2HE2 GLN 33 -1.837 12.144 6.920 241 H VAL 34 H VAL 34 -2.112 8.395 2.062 242 HA VAL 34 HA VAL 34 -0.183 7.404 0.020 243 HB VAL 34 HB VAL 34 -1.600 5.602 0.664 244 1HG1 VAL 34 1HG1 VAL 34 -3.560 6.662 1.577 245 2HG1 VAL 34 2HG1 VAL 34 -4.020 7.303 -0.008 246 3HG1 VAL 34 3HG1 VAL 34 -4.016 5.559 0.274 247 1HG2 VAL 34 1HG2 VAL 34 -0.885 5.808 -1.675 248 2HG2 VAL 34 2HG2 VAL 34 -2.459 5.008 -1.523 249 3HG2 VAL 34 3HG2 VAL 34 -2.362 6.692 -2.074 250 H ASP 35 H ASP 35 0.244 8.886 -1.441 251 HA ASP 35 HA ASP 35 -1.484 11.274 -1.560 252 1HB ASP 35 2HB ASP 35 1.213 10.652 -2.787 253 2HB ASP 35 3HB ASP 35 0.371 12.201 -2.863 254 H LEU 36 H LEU 36 -3.256 10.013 -2.547 255 HA LEU 36 HA LEU 36 -3.195 8.852 -5.116 256 1HB LEU 36 2HB LEU 36 -5.401 10.384 -3.676 257 2HB LEU 36 3HB LEU 36 -5.587 9.762 -5.316 258 HG LEU 36 HG LEU 36 -4.955 7.459 -4.447 259 1HD1 LEU 36 1HD1 LEU 36 -5.637 8.797 -1.785 260 2HD1 LEU 36 2HD1 LEU 36 -5.485 7.047 -2.057 261 3HD1 LEU 36 3HD1 LEU 36 -4.075 8.094 -2.245 262 1HD2 LEU 36 1HD2 LEU 36 -7.278 7.039 -3.705 263 2HD2 LEU 36 2HD2 LEU 36 -7.534 8.786 -3.509 264 3HD2 LEU 36 3HD2 LEU 36 -7.234 8.099 -5.121 265 H THR 37 H THR 37 -2.975 12.270 -4.251 266 HA THR 37 HA THR 37 -3.416 13.632 -6.574 267 HB THR 37 HB THR 37 -0.946 13.915 -4.811 268 HG1 THR 37 1HG THR 37 -3.602 14.692 -4.196 269 1HG2 THR 37 1HG2 THR 37 -1.163 15.583 -6.624 270 2HG2 THR 37 2HG2 THR 37 -2.805 15.987 -6.076 271 3HG2 THR 37 3HG2 THR 37 -1.407 16.330 -5.034 272 H SER 38 H SER 38 -0.720 11.427 -5.830 273 HA SER 38 HA SER 38 0.381 11.779 -8.584 274 1HB SER 38 2HB SER 38 1.933 11.490 -5.982 275 2HB SER 38 3HB SER 38 2.621 11.612 -7.629 276 HG SER 38 HG SER 38 2.557 13.638 -6.514 277 H LYS 39 H LYS 39 2.247 9.558 -6.931 278 HA LYS 39 HA LYS 39 0.560 7.224 -7.346 279 1HB LYS 39 2HB LYS 39 1.910 6.309 -9.217 280 2HB LYS 39 3HB LYS 39 0.976 7.737 -9.631 281 1HG LYS 39 2HG LYS 39 3.236 9.017 -9.064 282 2HG LYS 39 3HG LYS 39 3.976 7.455 -9.360 283 1HD LYS 39 2HD LYS 39 2.098 8.917 -11.321 284 2HD LYS 39 3HD LYS 39 3.827 9.184 -11.233 285 1HE LYS 39 2HE LYS 39 3.825 7.743 -12.948 286 2HE LYS 39 3HE LYS 39 4.086 6.606 -11.636 287 1HZ LYS 39 1HZ LYS 39 1.463 7.207 -12.904 288 2HZ LYS 39 2HZ LYS 39 2.420 5.939 -13.294 289 3HZ LYS 39 3HZ LYS 39 1.731 5.973 -11.842 290 H LYS 40 H LYS 40 1.831 8.222 -5.060 291 HA LYS 40 HA LYS 40 3.713 6.028 -4.507 292 1HB LYS 40 2HB LYS 40 5.118 7.527 -3.133 293 2HB LYS 40 3HB LYS 40 5.155 7.879 -4.852 294 1HG LYS 40 2HG LYS 40 5.076 9.991 -3.968 295 2HG LYS 40 3HG LYS 40 3.409 9.719 -4.403 296 1HD LYS 40 2HD LYS 40 3.439 10.819 -2.340 297 2HD LYS 40 3HD LYS 40 2.907 9.179 -1.981 298 1HE LYS 40 2HE LYS 40 5.308 8.715 -1.190 299 2HE LYS 40 3HE LYS 40 5.635 10.434 -1.477 300 1HZ LYS 40 1HZ LYS 40 3.491 10.619 0.035 301 2HZ LYS 40 2HZ LYS 40 4.051 9.192 0.617 302 3HZ LYS 40 3HZ LYS 40 5.027 10.501 0.675 303 H VAL 41 H VAL 41 3.832 5.425 -2.294 304 HA VAL 41 HA VAL 41 1.449 6.123 -0.680 305 HB VAL 41 HB VAL 41 0.839 4.153 -1.977 306 1HG1 VAL 41 1HG1 VAL 41 3.343 2.843 -0.862 307 2HG1 VAL 41 2HG1 VAL 41 2.073 2.021 -1.787 308 3HG1 VAL 41 3HG1 VAL 41 3.057 3.263 -2.570 309 1HG2 VAL 41 1HG2 VAL 41 0.184 4.281 0.456 310 2HG2 VAL 41 2HG2 VAL 41 0.259 2.635 -0.195 311 3HG2 VAL 41 3HG2 VAL 41 1.566 3.240 0.833 312 H THR 42 H THR 42 1.827 6.011 1.578 313 HA THR 42 HA THR 42 4.566 5.238 2.426 314 HB THR 42 HB THR 42 3.124 7.770 3.265 315 HG1 THR 42 1HG THR 42 4.654 7.112 1.068 316 1HG2 THR 42 1HG2 THR 42 5.409 8.429 3.979 317 2HG2 THR 42 2HG2 THR 42 4.844 6.983 4.835 318 3HG2 THR 42 3HG2 THR 42 6.019 6.827 3.513 319 H ILE 43 H ILE 43 4.406 3.695 3.861 320 HA ILE 43 HA ILE 43 1.978 3.500 5.603 321 HB ILE 43 HB ILE 43 3.869 1.393 4.527 322 1HG1 ILE 43 2HG1 ILE 43 2.372 2.258 2.776 323 2HG1 ILE 43 3HG1 ILE 43 2.022 0.595 3.191 324 1HG2 ILE 43 1HG2 ILE 43 1.503 1.185 6.419 325 2HG2 ILE 43 2HG2 ILE 43 2.132 -0.200 5.497 326 3HG2 ILE 43 3HG2 ILE 43 3.177 0.644 6.641 327 1HD1 ILE 43 1HD1 ILE 43 -0.049 1.799 2.866 328 2HD1 ILE 43 2HD1 ILE 43 0.079 1.317 4.561 329 3HD1 ILE 43 3HD1 ILE 43 0.392 3.005 4.080 330 H THR 44 H THR 44 2.460 4.415 7.472 331 HA THR 44 HA THR 44 5.182 4.194 8.641 332 HB THR 44 HB THR 44 2.816 5.978 9.244 333 HG1 THR 44 1HG THR 44 4.173 7.518 8.357 334 1HG2 THR 44 1HG2 THR 44 4.410 7.180 10.745 335 2HG2 THR 44 2HG2 THR 44 4.063 5.551 11.338 336 3HG2 THR 44 3HG2 THR 44 5.598 5.883 10.507 337 H SER 45 H SER 45 5.221 2.116 9.305 338 HA SER 45 HA SER 45 3.792 1.471 11.783 339 1HB SER 45 2HB SER 45 3.399 -0.860 10.770 340 2HB SER 45 3HB SER 45 2.310 0.391 10.196 341 HG SER 45 HG SER 45 3.623 -1.102 8.697 342 H ALA 46 H ALA 46 4.779 -0.672 12.584 343 HA ALA 46 HA ALA 46 7.688 -0.507 12.529 344 1HB ALA 46 1HB ALA 46 6.453 -1.004 14.598 345 2HB ALA 46 2HB ALA 46 5.792 -2.484 13.867 346 3HB ALA 46 3HB ALA 46 7.538 -2.340 14.163 347 H LEU 47 H LEU 47 5.173 -2.587 11.119 348 HA LEU 47 HA LEU 47 7.154 -4.225 9.615 349 1HB LEU 47 2HB LEU 47 5.746 -6.098 9.733 350 2HB LEU 47 3HB LEU 47 6.005 -5.558 11.385 351 HG LEU 47 HG LEU 47 3.657 -4.286 10.968 352 1HD1 LEU 47 1HD1 LEU 47 3.426 -5.093 8.555 353 2HD1 LEU 47 2HD1 LEU 47 3.465 -6.755 9.165 354 3HD1 LEU 47 3HD1 LEU 47 2.148 -5.663 9.626 355 1HD2 LEU 47 1HD2 LEU 47 3.915 -7.258 11.548 356 2HD2 LEU 47 2HD2 LEU 47 4.071 -5.935 12.728 357 3HD2 LEU 47 3HD2 LEU 47 2.516 -6.231 11.932 358 H GLY 48 H GLY 48 6.746 -3.938 7.446 359 1HA GLY 48 2HA GLY 48 4.147 -2.960 6.525 360 2HA GLY 48 3HA GLY 48 5.423 -1.732 6.459 361 H GLU 49 H GLU 49 7.572 -2.665 5.517 362 HA GLU 49 HA GLU 49 7.120 -3.080 2.836 363 1HB GLU 49 2HB GLU 49 9.249 -2.310 3.976 364 2HB GLU 49 3HB GLU 49 9.647 -4.011 4.277 365 1HG GLU 49 2HG GLU 49 9.541 -4.450 1.869 366 2HG GLU 49 3HG GLU 49 9.079 -2.752 1.566 367 H GLU 50 H GLU 50 7.794 -5.571 5.246 368 HA GLU 50 HA GLU 50 7.879 -7.892 3.591 369 1HB GLU 50 2HB GLU 50 7.603 -7.155 6.507 370 2HB GLU 50 3HB GLU 50 6.906 -8.693 6.098 371 1HG GLU 50 2HG GLU 50 9.048 -9.423 5.084 372 2HG GLU 50 3HG GLU 50 9.762 -7.837 5.445 373 H GLN 51 H GLN 51 5.172 -6.663 5.619 374 HA GLN 51 HA GLN 51 3.376 -8.572 4.647 375 1HB GLN 51 2HB GLN 51 3.210 -6.980 6.719 376 2HB GLN 51 3HB GLN 51 2.507 -5.813 5.579 377 1HG GLN 51 2HG GLN 51 1.097 -8.001 4.864 378 2HG GLN 51 3HG GLN 51 1.528 -8.501 6.504 379 1HE2 GLN 51 1HE2 GLN 51 1.087 -6.614 8.190 380 2HE2 GLN 51 2HE2 GLN 51 -0.380 -5.681 7.944 381 H LEU 52 H LEU 52 3.822 -5.138 3.710 382 HA LEU 52 HA LEU 52 1.992 -4.886 1.672 383 1HB LEU 52 2HB LEU 52 4.787 -3.743 1.989 384 2HB LEU 52 3HB LEU 52 3.686 -3.197 0.731 385 HG LEU 52 HG LEU 52 2.852 -3.139 3.649 386 1HD1 LEU 52 1HD1 LEU 52 5.015 -1.844 3.205 387 2HD1 LEU 52 2HD1 LEU 52 4.069 -0.795 2.139 388 3HD1 LEU 52 3HD1 LEU 52 3.666 -0.924 3.866 389 1HD2 LEU 52 1HD2 LEU 52 1.232 -1.516 2.891 390 2HD2 LEU 52 2HD2 LEU 52 1.956 -1.454 1.267 391 3HD2 LEU 52 3HD2 LEU 52 1.110 -2.909 1.815 392 H ARG 53 H ARG 53 5.312 -6.318 1.416 393 HA ARG 53 HA ARG 53 5.378 -6.652 -1.343 394 1HB ARG 53 2HB ARG 53 6.837 -7.627 0.894 395 2HB ARG 53 3HB ARG 53 6.232 -9.064 0.134 396 1HG ARG 53 2HG ARG 53 8.346 -8.656 -0.843 397 2HG ARG 53 3HG ARG 53 7.203 -8.104 -2.087 398 1HD ARG 53 2HD ARG 53 7.481 -5.757 -1.266 399 2HD ARG 53 3HD ARG 53 8.506 -6.367 0.051 400 HE ARG 53 HE ARG 53 9.507 -7.048 -2.605 401 1HH1 ARG 53 2HH2 ARG 53 9.310 -4.463 -0.233 402 2HH1 ARG 53 1HH2 ARG 53 10.961 -3.987 -0.300 403 1HH2 ARG 53 2HH1 ARG 53 11.634 -6.149 -3.114 404 2HH2 ARG 53 1HH1 ARG 53 12.192 -4.760 -2.227 405 H THR 54 H THR 54 3.992 -8.956 1.050 406 HA THR 54 HA THR 54 2.862 -10.617 -0.992 407 HB THR 54 HB THR 54 2.090 -10.494 1.953 408 HG1 THR 54 1HG THR 54 4.290 -11.712 0.642 409 1HG2 THR 54 1HG2 THR 54 0.687 -12.008 0.575 410 2HG2 THR 54 2HG2 THR 54 2.146 -12.778 -0.084 411 3HG2 THR 54 3HG2 THR 54 1.759 -12.932 1.643 412 H ALA 55 H ALA 55 1.384 -8.226 1.231 413 HA ALA 55 HA ALA 55 -1.299 -8.667 0.491 414 1HB ALA 55 1HB ALA 55 -0.034 -6.151 1.650 415 2HB ALA 55 2HB ALA 55 -1.765 -6.545 1.639 416 3HB ALA 55 3HB ALA 55 -0.642 -7.536 2.578 417 H ILE 56 H ILE 56 0.936 -6.033 -0.593 418 HA ILE 56 HA ILE 56 -0.698 -5.021 -2.677 419 HB ILE 56 HB ILE 56 2.335 -5.306 -2.711 420 1HG1 ILE 56 2HG1 ILE 56 0.622 -2.867 -2.033 421 2HG1 ILE 56 3HG1 ILE 56 1.332 -3.912 -0.786 422 1HG2 ILE 56 1HG2 ILE 56 1.325 -4.929 -4.980 423 2HG2 ILE 56 2HG2 ILE 56 0.491 -3.504 -4.321 424 3HG2 ILE 56 3HG2 ILE 56 2.270 -3.577 -4.418 425 1HD1 ILE 56 1HD1 ILE 56 2.717 -1.992 -1.059 426 2HD1 ILE 56 2HD1 ILE 56 3.601 -3.392 -1.717 427 3HD1 ILE 56 3HD1 ILE 56 2.820 -2.218 -2.801 428 H ALA 57 H ALA 57 1.785 -7.708 -2.900 429 HA ALA 57 HA ALA 57 1.320 -8.218 -5.606 430 1HB ALA 57 1HB ALA 57 3.217 -9.170 -4.400 431 2HB ALA 57 2HB ALA 57 2.130 -10.199 -3.435 432 3HB ALA 57 3HB ALA 57 2.287 -10.458 -5.183 433 H SER 58 H SER 58 -0.552 -9.374 -2.821 434 HA SER 58 HA SER 58 -2.198 -11.270 -4.049 435 1HB SER 58 2HB SER 58 -2.116 -10.477 -1.590 436 2HB SER 58 3HB SER 58 -3.264 -9.214 -2.085 437 HG SER 58 HG SER 58 -4.321 -11.087 -1.321 438 H ALA 59 H ALA 59 -2.432 -7.694 -4.165 439 HA ALA 59 HA ALA 59 -4.839 -7.741 -5.879 440 1HB ALA 59 1HB ALA 59 -3.003 -5.470 -5.011 441 2HB ALA 59 2HB ALA 59 -4.505 -5.300 -5.940 442 3HB ALA 59 3HB ALA 59 -4.559 -5.913 -4.275 443 H GLY 60 H GLY 60 -1.336 -7.208 -6.112 444 1HA GLY 60 2HA GLY 60 0.061 -7.738 -7.885 445 2HA GLY 60 3HA GLY 60 -1.330 -8.009 -8.939 446 H HIS 61 H HIS 61 -0.148 -5.214 -7.007 447 HA HIS 61 HA HIS 61 -0.247 -3.475 -9.443 448 1HB HIS 61 2HB HIS 61 0.126 -2.820 -6.514 449 2HB HIS 61 3HB HIS 61 0.414 -1.670 -7.820 450 HD1 HIS 61 1HD HIS 61 -1.764 -0.573 -8.997 451 HD2 HIS 61 2HD HIS 61 -2.358 -3.210 -5.756 452 HE1 HIS 61 1HE HIS 61 -4.086 -0.124 -8.102 453 H GLU 62 H GLU 62 1.618 -2.648 -10.260 454 HA GLU 62 HA GLU 62 4.073 -4.125 -9.927 455 1HB GLU 62 2HB GLU 62 3.395 -1.699 -11.657 456 2HB GLU 62 3HB GLU 62 4.746 -2.808 -11.896 457 1HG GLU 62 2HG GLU 62 1.842 -3.760 -12.081 458 2HG GLU 62 3HG GLU 62 2.706 -3.027 -13.429 459 H VAL 63 H VAL 63 3.808 -3.115 -7.587 460 HA VAL 63 HA VAL 63 4.756 -0.366 -7.298 461 HB VAL 63 HB VAL 63 4.350 -2.513 -5.178 462 1HG1 VAL 63 1HG1 VAL 63 5.734 -0.616 -4.362 463 2HG1 VAL 63 2HG1 VAL 63 4.467 0.519 -4.889 464 3HG1 VAL 63 3HG1 VAL 63 4.151 -0.633 -3.597 465 1HG2 VAL 63 1HG2 VAL 63 2.158 -1.212 -4.832 466 2HG2 VAL 63 2HG2 VAL 63 2.502 -0.414 -6.374 467 3HG2 VAL 63 3HG2 VAL 63 2.270 -2.165 -6.319 468 H GLU 64 H GLU 64 6.749 0.368 -6.441 469 HA GLU 64 HA GLU 64 8.890 -1.604 -5.980 470 1HB GLU 64 2HB GLU 64 8.953 -0.777 -8.382 471 2HB GLU 64 3HB GLU 64 9.210 0.860 -7.759 472 1HG GLU 64 2HG GLU 64 11.349 0.228 -6.832 473 2HG GLU 64 3HG GLU 64 11.016 -1.496 -7.068 Start of MODEL 6 1 1H MET 1 H1 MET 1 10.744 2.355 10.028 2 2H MET 1 H2 MET 1 11.352 2.988 11.446 3 3H MET 1 H3 MET 1 9.716 2.792 11.200 4 HA MET 1 HA MET 1 10.205 5.085 10.906 5 1HB MET 1 2HB MET 1 12.304 3.912 9.051 6 2HB MET 1 3HB MET 1 11.578 5.465 8.646 7 1HG MET 1 2HG MET 1 12.205 6.393 10.826 8 2HG MET 1 3HG MET 1 13.034 4.879 11.241 9 1HE MET 1 1HE MET 1 15.884 7.552 10.610 10 2HE MET 1 2HE MET 1 14.264 7.897 11.255 11 3HE MET 1 3HE MET 1 15.154 6.452 11.803 12 H THR 2 H THR 2 9.434 6.285 8.765 13 HA THR 2 HA THR 2 7.147 4.760 7.801 14 HB THR 2 HB THR 2 7.090 7.216 8.363 15 HG1 THR 2 1HG THR 2 5.464 6.396 7.215 16 1HG2 THR 2 1HG2 THR 2 9.233 7.904 7.215 17 2HG2 THR 2 2HG2 THR 2 8.442 7.600 5.654 18 3HG2 THR 2 3HG2 THR 2 7.811 8.849 6.733 19 H ILE 3 H ILE 3 6.964 3.823 5.756 20 HA ILE 3 HA ILE 3 9.435 3.667 4.105 21 HB ILE 3 HB ILE 3 6.993 1.861 4.122 22 1HG1 ILE 3 2HG1 ILE 3 7.920 1.587 6.312 23 2HG1 ILE 3 3HG1 ILE 3 8.366 0.203 5.324 24 1HG2 ILE 3 1HG2 ILE 3 9.792 1.533 2.966 25 2HG2 ILE 3 2HG2 ILE 3 8.483 0.331 2.905 26 3HG2 ILE 3 3HG2 ILE 3 8.310 1.885 2.069 27 1HD1 ILE 3 1HD1 ILE 3 10.202 2.527 6.067 28 2HD1 ILE 3 2HD1 ILE 3 10.236 0.886 6.720 29 3HD1 ILE 3 3HD1 ILE 3 10.659 1.160 5.025 30 H GLN 4 H GLN 4 9.366 5.047 2.433 31 HA GLN 4 HA GLN 4 6.810 5.914 1.235 32 1HB GLN 4 2HB GLN 4 9.641 6.912 1.163 33 2HB GLN 4 3HB GLN 4 8.578 7.252 -0.210 34 1HG GLN 4 2HG GLN 4 6.931 8.309 1.141 35 2HG GLN 4 3HG GLN 4 7.742 7.852 2.637 36 1HE2 GLN 4 1HE2 GLN 4 7.218 10.448 0.627 37 2HE2 GLN 4 2HE2 GLN 4 8.697 11.347 0.936 38 H LEU 5 H LEU 5 6.049 4.274 -0.048 39 HA LEU 5 HA LEU 5 7.924 3.060 -2.057 40 1HB LEU 5 2HB LEU 5 5.101 2.162 -1.434 41 2HB LEU 5 3HB LEU 5 6.280 1.373 -2.467 42 HG LEU 5 HG LEU 5 6.484 1.714 0.557 43 1HD1 LEU 5 1HD1 LEU 5 6.034 -0.750 -1.172 44 2HD1 LEU 5 2HD1 LEU 5 6.182 -0.715 0.599 45 3HD1 LEU 5 3HD1 LEU 5 4.803 0.078 -0.191 46 1HD2 LEU 5 1HD2 LEU 5 8.727 1.763 -0.386 47 2HD2 LEU 5 2HD2 LEU 5 8.457 0.154 0.300 48 3HD2 LEU 5 3HD2 LEU 5 8.362 0.386 -1.454 49 H THR 6 H THR 6 7.067 2.828 -4.231 50 HA THR 6 HA THR 6 5.560 5.248 -5.150 51 HB THR 6 HB THR 6 8.168 4.018 -6.097 52 HG1 THR 6 1HG THR 6 8.864 6.093 -5.730 53 1HG2 THR 6 1HG2 THR 6 8.049 5.703 -7.984 54 2HG2 THR 6 2HG2 THR 6 6.972 4.315 -8.163 55 3HG2 THR 6 3HG2 THR 6 6.317 5.878 -7.636 56 H VAL 7 H VAL 7 3.673 4.479 -5.872 57 HA VAL 7 HA VAL 7 3.557 1.801 -7.144 58 HB VAL 7 HB VAL 7 2.286 1.840 -5.225 59 1HG1 VAL 7 1HG1 VAL 7 2.067 4.158 -4.647 60 2HG1 VAL 7 2HG1 VAL 7 0.991 4.460 -6.021 61 3HG1 VAL 7 3HG1 VAL 7 0.476 3.417 -4.683 62 1HG2 VAL 7 1HG2 VAL 7 1.233 0.791 -7.189 63 2HG2 VAL 7 2HG2 VAL 7 0.123 1.245 -5.890 64 3HG2 VAL 7 3HG2 VAL 7 0.205 2.233 -7.354 65 HA PRO 8 HA PRO 8 3.038 4.778 -10.614 66 1HB PRO 8 2HB PRO 8 3.898 3.209 -12.669 67 2HB PRO 8 3HB PRO 8 5.026 4.012 -11.538 68 1HG PRO 8 2HG PRO 8 4.033 1.151 -11.423 69 2HG PRO 8 3HG PRO 8 5.716 1.732 -11.295 70 1HD PRO 8 2HD PRO 8 4.217 1.164 -9.108 71 2HD PRO 8 3HD PRO 8 5.383 2.512 -9.114 72 H THR 9 H THR 9 1.911 1.485 -10.174 73 HA THR 9 HA THR 9 -0.181 1.720 -12.163 74 HB THR 9 HB THR 9 1.025 -0.367 -11.776 75 HG1 THR 9 1HG THR 9 -1.729 -0.342 -11.176 76 1HG2 THR 9 1HG2 THR 9 0.105 -1.575 -9.656 77 2HG2 THR 9 2HG2 THR 9 1.542 -0.531 -9.496 78 3HG2 THR 9 3HG2 THR 9 -0.059 0.020 -8.971 79 H ILE 10 H ILE 10 -0.133 3.433 -9.304 80 HA ILE 10 HA ILE 10 -2.535 2.938 -8.140 81 HB ILE 10 HB ILE 10 -0.772 5.212 -8.499 82 1HG1 ILE 10 2HG1 ILE 10 -2.973 4.510 -6.553 83 2HG1 ILE 10 3HG1 ILE 10 -1.281 4.057 -6.429 84 1HG2 ILE 10 1HG2 ILE 10 -2.269 7.095 -8.424 85 2HG2 ILE 10 2HG2 ILE 10 -2.563 6.187 -9.906 86 3HG2 ILE 10 3HG2 ILE 10 -3.690 6.036 -8.530 87 1HD1 ILE 10 1HD1 ILE 10 -0.670 6.494 -6.242 88 2HD1 ILE 10 2HD1 ILE 10 -2.409 6.870 -6.156 89 3HD1 ILE 10 3HD1 ILE 10 -1.658 5.875 -4.903 90 H ALA 11 H ALA 11 -4.702 3.705 -8.395 91 HA ALA 11 HA ALA 11 -6.677 3.782 -9.460 92 1HB ALA 11 1HB ALA 11 -5.776 6.025 -10.055 93 2HB ALA 11 2HB ALA 11 -5.200 5.360 -11.601 94 3HB ALA 11 3HB ALA 11 -6.934 5.394 -11.239 95 H CYS 12 H CYS 12 -4.789 1.533 -10.166 96 HA CYS 12 HA CYS 12 -5.704 0.715 -12.841 97 1HB CYS 12 2HB CYS 12 -3.468 0.195 -12.339 98 2HB CYS 12 3HB CYS 12 -3.884 -0.433 -10.727 99 HG CYS 12 HG CYS 12 -4.842 -1.605 -13.677 100 H GLU 13 H GLU 13 -5.762 -0.976 -9.670 101 HA GLU 13 HA GLU 13 -8.161 -2.461 -10.485 102 1HB GLU 13 2HB GLU 13 -6.200 -3.554 -9.568 103 2HB GLU 13 3HB GLU 13 -6.332 -2.697 -8.043 104 1HG GLU 13 2HG GLU 13 -8.563 -4.486 -9.155 105 2HG GLU 13 3HG GLU 13 -7.190 -5.140 -8.259 106 H ALA 14 H ALA 14 -7.970 -1.686 -7.071 107 HA ALA 14 HA ALA 14 -10.035 0.476 -7.399 108 1HB ALA 14 1HB ALA 14 -9.651 -1.554 -5.171 109 2HB ALA 14 2HB ALA 14 -10.927 -0.322 -5.280 110 3HB ALA 14 3HB ALA 14 -10.862 -1.647 -6.461 111 H CYS 15 H CYS 15 -7.281 1.078 -7.582 112 HA CYS 15 HA CYS 15 -5.842 2.623 -6.937 113 1HB CYS 15 2HB CYS 15 -7.988 3.444 -4.932 114 2HB CYS 15 3HB CYS 15 -6.369 4.149 -4.948 115 HG CYS 15 HG CYS 15 -8.009 5.743 -6.099 116 H ALA 16 H ALA 16 -4.164 2.964 -5.476 117 HA ALA 16 HA ALA 16 -3.185 0.675 -4.173 118 1HB ALA 16 1HB ALA 16 -2.462 3.586 -3.689 119 2HB ALA 16 2HB ALA 16 -1.526 2.189 -3.105 120 3HB ALA 16 3HB ALA 16 -1.719 2.458 -4.847 121 H GLU 17 H GLU 17 -5.316 3.216 -2.821 122 HA GLU 17 HA GLU 17 -5.022 2.538 -0.120 123 1HB GLU 17 2HB GLU 17 -7.296 3.414 0.204 124 2HB GLU 17 3HB GLU 17 -6.225 4.515 -0.660 125 1HG GLU 17 2HG GLU 17 -7.297 4.095 -2.754 126 2HG GLU 17 3HG GLU 17 -8.202 2.708 -2.118 127 H ALA 18 H ALA 18 -6.588 0.703 -2.710 128 HA ALA 18 HA ALA 18 -8.160 -1.112 -1.298 129 1HB ALA 18 1HB ALA 18 -7.857 -1.106 -3.758 130 2HB ALA 18 2HB ALA 18 -6.207 -1.735 -3.559 131 3HB ALA 18 3HB ALA 18 -7.599 -2.711 -3.059 132 H VAL 19 H VAL 19 -4.518 -1.125 -1.700 133 HA VAL 19 HA VAL 19 -4.382 -3.542 -0.133 134 HB VAL 19 HB VAL 19 -2.470 -2.708 -1.652 135 1HG1 VAL 19 1HG1 VAL 19 -1.543 -1.390 0.956 136 2HG1 VAL 19 2HG1 VAL 19 -0.654 -1.519 -0.557 137 3HG1 VAL 19 3HG1 VAL 19 -2.069 -0.484 -0.482 138 1HG2 VAL 19 1HG2 VAL 19 -1.938 -4.690 -0.639 139 2HG2 VAL 19 2HG2 VAL 19 -0.937 -3.712 0.462 140 3HG2 VAL 19 3HG2 VAL 19 -2.540 -4.213 0.938 141 H THR 20 H THR 20 -4.033 -0.048 0.581 142 HA THR 20 HA THR 20 -3.217 -0.187 3.245 143 HB THR 20 HB THR 20 -5.164 1.753 1.935 144 HG1 THR 20 1HG THR 20 -2.936 1.589 1.189 145 1HG2 THR 20 1HG2 THR 20 -4.480 3.289 3.768 146 2HG2 THR 20 2HG2 THR 20 -5.611 2.008 4.234 147 3HG2 THR 20 3HG2 THR 20 -3.894 1.847 4.646 148 H LYS 21 H LYS 21 -6.601 -0.370 2.053 149 HA LYS 21 HA LYS 21 -7.728 -0.724 4.670 150 1HB LYS 21 2HB LYS 21 -8.964 -1.656 2.062 151 2HB LYS 21 3HB LYS 21 -9.780 -1.215 3.569 152 1HG LYS 21 2HG LYS 21 -8.203 1.048 2.880 153 2HG LYS 21 3HG LYS 21 -8.863 0.454 1.348 154 1HD LYS 21 2HD LYS 21 -11.163 0.640 2.320 155 2HD LYS 21 3HD LYS 21 -10.447 1.168 3.851 156 1HE LYS 21 2HE LYS 21 -10.529 3.317 3.094 157 2HE LYS 21 3HE LYS 21 -9.228 2.885 1.990 158 1HZ LYS 21 1HZ LYS 21 -12.066 3.095 1.374 159 2HZ LYS 21 2HZ LYS 21 -10.730 3.719 0.612 160 3HZ LYS 21 3HZ LYS 21 -11.058 2.161 0.440 161 H ALA 22 H ALA 22 -6.327 -2.970 2.338 162 HA ALA 22 HA ALA 22 -7.309 -5.378 3.607 163 1HB ALA 22 1HB ALA 22 -5.765 -6.557 2.232 164 2HB ALA 22 2HB ALA 22 -6.588 -5.319 1.249 165 3HB ALA 22 3HB ALA 22 -4.909 -5.073 1.793 166 H VAL 23 H VAL 23 -4.108 -3.730 3.576 167 HA VAL 23 HA VAL 23 -2.742 -5.401 5.358 168 HB VAL 23 HB VAL 23 -2.341 -2.398 4.992 169 1HG1 VAL 23 1HG1 VAL 23 -0.029 -2.812 5.629 170 2HG1 VAL 23 2HG1 VAL 23 -1.041 -3.475 6.919 171 3HG1 VAL 23 3HG1 VAL 23 -0.303 -4.553 5.695 172 1HG2 VAL 23 1HG2 VAL 23 -2.072 -3.201 2.816 173 2HG2 VAL 23 2HG2 VAL 23 -0.442 -3.315 3.431 174 3HG2 VAL 23 3HG2 VAL 23 -1.436 -4.779 3.345 175 H GLN 24 H GLN 24 -4.843 -2.517 6.004 176 HA GLN 24 HA GLN 24 -4.505 -2.426 8.775 177 1HB GLN 24 2HB GLN 24 -6.815 -1.800 6.943 178 2HB GLN 24 3HB GLN 24 -6.935 -1.507 8.675 179 1HG GLN 24 2HG GLN 24 -4.519 -0.494 7.123 180 2HG GLN 24 3HG GLN 24 -6.044 0.364 7.039 181 1HE2 GLN 24 1HE2 GLN 24 -3.736 1.574 8.035 182 2HE2 GLN 24 2HE2 GLN 24 -3.807 1.795 9.770 183 H ASN 25 H ASN 25 -6.073 -5.098 7.051 184 HA ASN 25 HA ASN 25 -7.565 -6.003 9.397 185 1HB ASN 25 2HB ASN 25 -6.430 -7.620 7.076 186 2HB ASN 25 3HB ASN 25 -7.470 -8.235 8.358 187 1HD2 ASN 25 1HD2 ASN 25 -7.352 -6.332 5.464 188 2HD2 ASN 25 2HD2 ASN 25 -9.096 -6.124 5.270 189 H GLU 26 H GLU 26 -4.315 -6.670 8.033 190 HA GLU 26 HA GLU 26 -3.525 -8.501 10.135 191 1HB GLU 26 2HB GLU 26 -2.009 -6.972 7.973 192 2HB GLU 26 3HB GLU 26 -1.252 -8.138 9.064 193 1HG GLU 26 2HG GLU 26 -3.656 -8.962 7.382 194 2HG GLU 26 3HG GLU 26 -2.021 -8.957 6.716 195 H ASP 27 H ASP 27 -2.658 -5.145 9.261 196 HA ASP 27 HA ASP 27 -1.557 -4.714 11.989 197 1HB ASP 27 2HB ASP 27 -0.010 -4.599 9.932 198 2HB ASP 27 3HB ASP 27 -0.832 -3.120 9.489 199 H ALA 28 H ALA 28 -3.799 -4.309 12.668 200 HA ALA 28 HA ALA 28 -5.319 -2.126 11.511 201 1HB ALA 28 1HB ALA 28 -6.852 -2.517 13.371 202 2HB ALA 28 2HB ALA 28 -6.375 -4.063 12.643 203 3HB ALA 28 3HB ALA 28 -5.648 -3.543 14.184 204 H GLN 29 H GLN 29 -2.615 -2.163 13.556 205 HA GLN 29 HA GLN 29 -3.313 0.419 14.872 206 1HB GLN 29 2HB GLN 29 -1.402 -0.098 16.314 207 2HB GLN 29 3HB GLN 29 -2.682 -1.306 16.423 208 1HG GLN 29 2HG GLN 29 -1.412 -2.894 15.107 209 2HG GLN 29 3HG GLN 29 -0.237 -1.640 14.654 210 1HE2 GLN 29 1HE2 GLN 29 1.328 -3.250 15.391 211 2HE2 GLN 29 2HE2 GLN 29 1.728 -3.282 17.107 212 H ALA 30 H ALA 30 -2.198 -0.382 11.927 213 HA ALA 30 HA ALA 30 0.262 1.215 11.914 214 1HB ALA 30 1HB ALA 30 0.198 -0.678 10.481 215 2HB ALA 30 2HB ALA 30 -1.340 -0.188 9.742 216 3HB ALA 30 3HB ALA 30 0.137 0.745 9.438 217 H THR 31 H THR 31 0.600 3.005 10.538 218 HA THR 31 HA THR 31 -1.796 4.756 10.133 219 HB THR 31 HB THR 31 1.062 5.432 10.856 220 HG1 THR 31 1HG THR 31 0.152 6.049 12.778 221 1HG2 THR 31 1HG2 THR 31 -1.320 7.276 10.357 222 2HG2 THR 31 2HG2 THR 31 0.251 7.782 11.010 223 3HG2 THR 31 3HG2 THR 31 0.144 7.184 9.350 224 H VAL 32 H VAL 32 -2.030 5.635 8.137 225 HA VAL 32 HA VAL 32 -0.188 4.779 5.965 226 HB VAL 32 HB VAL 32 -2.260 4.151 4.710 227 1HG1 VAL 32 1HG1 VAL 32 -0.765 2.631 6.572 228 2HG1 VAL 32 2HG1 VAL 32 -2.446 2.199 6.854 229 3HG1 VAL 32 3HG1 VAL 32 -1.759 2.044 5.239 230 1HG2 VAL 32 1HG2 VAL 32 -4.308 3.558 6.090 231 2HG2 VAL 32 2HG2 VAL 32 -3.615 4.412 7.448 232 3HG2 VAL 32 3HG2 VAL 32 -4.016 5.287 5.956 233 H GLN 33 H GLN 33 0.172 6.357 4.404 234 HA GLN 33 HA GLN 33 -1.942 8.378 3.960 235 1HB GLN 33 2HB GLN 33 0.939 8.872 4.798 236 2HB GLN 33 3HB GLN 33 0.150 9.999 3.689 237 1HG GLN 33 2HG GLN 33 -0.953 9.296 6.449 238 2HG GLN 33 3HG GLN 33 0.047 10.696 6.076 239 1HE2 GLN 33 1HE2 GLN 33 -3.167 9.283 5.703 240 2HE2 GLN 33 2HE2 GLN 33 -3.903 10.748 5.044 241 H VAL 34 H VAL 34 -2.419 8.282 1.841 242 HA VAL 34 HA VAL 34 -0.247 7.557 -0.041 243 HB VAL 34 HB VAL 34 -1.634 5.598 0.248 244 1HG1 VAL 34 1HG1 VAL 34 -3.784 6.592 0.917 245 2HG1 VAL 34 2HG1 VAL 34 -4.004 7.232 -0.725 246 3HG1 VAL 34 3HG1 VAL 34 -3.947 5.484 -0.454 247 1HG2 VAL 34 1HG2 VAL 34 -2.186 6.901 -2.449 248 2HG2 VAL 34 2HG2 VAL 34 -0.615 6.241 -1.969 249 3HG2 VAL 34 3HG2 VAL 34 -2.024 5.172 -2.080 250 H ASP 35 H ASP 35 0.076 8.963 -1.617 251 HA ASP 35 HA ASP 35 -1.664 11.370 -1.733 252 1HB ASP 35 2HB ASP 35 1.061 10.544 -2.566 253 2HB ASP 35 3HB ASP 35 0.295 11.831 -3.521 254 H LEU 36 H LEU 36 -3.479 10.361 -2.606 255 HA LEU 36 HA LEU 36 -3.519 9.031 -5.191 256 1HB LEU 36 2HB LEU 36 -5.632 10.325 -3.445 257 2HB LEU 36 3HB LEU 36 -6.019 9.513 -4.965 258 HG LEU 36 HG LEU 36 -4.338 7.959 -3.010 259 1HD1 LEU 36 1HD1 LEU 36 -6.368 7.198 -1.801 260 2HD1 LEU 36 2HD1 LEU 36 -6.034 8.916 -1.522 261 3HD1 LEU 36 3HD1 LEU 36 -7.328 8.431 -2.641 262 1HD2 LEU 36 1HD2 LEU 36 -4.987 7.060 -5.249 263 2HD2 LEU 36 2HD2 LEU 36 -5.607 6.097 -3.891 264 3HD2 LEU 36 3HD2 LEU 36 -6.695 7.191 -4.773 265 H THR 37 H THR 37 -1.980 10.746 -5.847 266 HA THR 37 HA THR 37 -3.242 12.927 -7.428 267 HB THR 37 HB THR 37 -0.851 13.226 -5.548 268 HG1 THR 37 1HG THR 37 -2.269 14.558 -4.407 269 1HG2 THR 37 1HG2 THR 37 -1.110 15.680 -6.146 270 2HG2 THR 37 2HG2 THR 37 -0.517 14.670 -7.474 271 3HG2 THR 37 3HG2 THR 37 -2.217 15.188 -7.445 272 H SER 38 H SER 38 -0.294 10.881 -6.787 273 HA SER 38 HA SER 38 0.026 10.716 -9.699 274 1HB SER 38 2HB SER 38 2.329 11.640 -7.925 275 2HB SER 38 3HB SER 38 2.383 11.279 -9.667 276 HG SER 38 HG SER 38 0.437 12.953 -9.439 277 H LYS 39 H LYS 39 2.545 9.687 -7.411 278 HA LYS 39 HA LYS 39 1.552 6.951 -7.334 279 1HB LYS 39 2HB LYS 39 3.349 6.030 -8.720 280 2HB LYS 39 3HB LYS 39 2.210 7.027 -9.630 281 1HG LYS 39 2HG LYS 39 4.056 8.919 -9.277 282 2HG LYS 39 3HG LYS 39 5.095 7.531 -8.923 283 1HD LYS 39 2HD LYS 39 3.779 6.738 -11.259 284 2HD LYS 39 3HD LYS 39 3.925 8.463 -11.508 285 1HE LYS 39 2HE LYS 39 6.182 6.477 -10.871 286 2HE LYS 39 3HE LYS 39 5.820 7.151 -12.464 287 1HZ LYS 39 1HZ LYS 39 6.711 8.705 -10.125 288 2HZ LYS 39 2HZ LYS 39 7.633 8.290 -11.420 289 3HZ LYS 39 3HZ LYS 39 6.372 9.325 -11.614 290 H LYS 40 H LYS 40 1.871 7.995 -5.075 291 HA LYS 40 HA LYS 40 4.500 7.210 -4.039 292 1HB LYS 40 2HB LYS 40 4.869 9.421 -2.988 293 2HB LYS 40 3HB LYS 40 4.965 9.457 -4.748 294 1HG LYS 40 2HG LYS 40 2.274 10.025 -4.218 295 2HG LYS 40 3HG LYS 40 3.127 10.876 -2.932 296 1HD LYS 40 2HD LYS 40 3.985 11.249 -5.829 297 2HD LYS 40 3HD LYS 40 2.465 11.942 -5.262 298 1HE LYS 40 2HE LYS 40 4.168 13.632 -5.091 299 2HE LYS 40 3HE LYS 40 3.536 13.207 -3.505 300 1HZ LYS 40 1HZ LYS 40 5.869 13.386 -3.412 301 2HZ LYS 40 2HZ LYS 40 5.462 11.808 -3.179 302 3HZ LYS 40 3HZ LYS 40 6.093 12.294 -4.626 303 H VAL 41 H VAL 41 4.236 6.266 -2.035 304 HA VAL 41 HA VAL 41 1.774 6.837 -0.512 305 HB VAL 41 HB VAL 41 1.189 4.888 -1.889 306 1HG1 VAL 41 1HG1 VAL 41 3.382 3.969 -2.423 307 2HG1 VAL 41 2HG1 VAL 41 3.654 3.589 -0.702 308 3HG1 VAL 41 3HG1 VAL 41 2.400 2.737 -1.621 309 1HG2 VAL 41 1HG2 VAL 41 0.496 3.402 -0.132 310 2HG2 VAL 41 2HG2 VAL 41 1.817 3.916 0.928 311 3HG2 VAL 41 3HG2 VAL 41 0.496 5.035 0.564 312 H THR 42 H THR 42 2.039 6.463 1.735 313 HA THR 42 HA THR 42 4.838 6.058 2.641 314 HB THR 42 HB THR 42 2.886 8.326 3.254 315 HG1 THR 42 1HG THR 42 4.527 8.078 1.332 316 1HG2 THR 42 1HG2 THR 42 4.135 7.723 5.304 317 2HG2 THR 42 2HG2 THR 42 5.664 7.811 4.388 318 3HG2 THR 42 3HG2 THR 42 4.689 9.272 4.646 319 H ILE 43 H ILE 43 4.680 4.264 3.876 320 HA ILE 43 HA ILE 43 2.234 3.873 5.581 321 HB ILE 43 HB ILE 43 4.182 1.848 4.439 322 1HG1 ILE 43 2HG1 ILE 43 2.582 2.663 2.761 323 2HG1 ILE 43 3HG1 ILE 43 2.283 0.990 3.189 324 1HG2 ILE 43 1HG2 ILE 43 1.933 1.576 6.466 325 2HG2 ILE 43 2HG2 ILE 43 2.509 0.202 5.509 326 3HG2 ILE 43 3HG2 ILE 43 3.619 1.047 6.591 327 1HD1 ILE 43 1HD1 ILE 43 0.436 1.691 4.690 328 2HD1 ILE 43 2HD1 ILE 43 0.636 3.367 4.111 329 3HD1 ILE 43 3HD1 ILE 43 0.168 2.085 2.988 330 H THR 44 H THR 44 2.486 4.057 7.681 331 HA THR 44 HA THR 44 5.228 3.949 8.873 332 HB THR 44 HB THR 44 2.803 5.600 9.613 333 HG1 THR 44 1HG THR 44 4.121 7.285 8.990 334 1HG2 THR 44 1HG2 THR 44 5.565 5.429 10.918 335 2HG2 THR 44 2HG2 THR 44 4.321 6.635 11.308 336 3HG2 THR 44 3HG2 THR 44 4.031 4.927 11.664 337 H SER 45 H SER 45 5.277 1.811 9.322 338 HA SER 45 HA SER 45 3.787 0.909 11.637 339 1HB SER 45 2HB SER 45 3.257 -1.301 10.528 340 2HB SER 45 3HB SER 45 2.297 0.025 9.913 341 HG SER 45 HG SER 45 3.253 -1.382 8.305 342 H ALA 46 H ALA 46 4.777 -1.395 12.117 343 HA ALA 46 HA ALA 46 7.700 -1.400 11.663 344 1HB ALA 46 1HB ALA 46 7.633 -3.448 13.025 345 2HB ALA 46 2HB ALA 46 6.843 -2.093 13.855 346 3HB ALA 46 3HB ALA 46 5.860 -3.364 13.097 347 H LEU 47 H LEU 47 4.771 -3.333 10.823 348 HA LEU 47 HA LEU 47 6.393 -4.907 8.874 349 1HB LEU 47 2HB LEU 47 4.596 -6.497 8.843 350 2HB LEU 47 3HB LEU 47 5.329 -6.330 10.429 351 HG LEU 47 HG LEU 47 3.052 -4.527 10.276 352 1HD1 LEU 47 1HD1 LEU 47 2.548 -7.394 9.397 353 2HD1 LEU 47 2HD1 LEU 47 1.303 -6.391 10.153 354 3HD1 LEU 47 3HD1 LEU 47 2.038 -5.863 8.632 355 1HD2 LEU 47 1HD2 LEU 47 3.503 -7.078 11.869 356 2HD2 LEU 47 2HD2 LEU 47 4.059 -5.453 12.344 357 3HD2 LEU 47 3HD2 LEU 47 2.321 -5.798 12.232 358 H GLY 48 H GLY 48 6.439 -2.799 7.917 359 1HA GLY 48 2HA GLY 48 4.075 -2.027 6.263 360 2HA GLY 48 3HA GLY 48 5.629 -1.175 6.355 361 H GLU 49 H GLU 49 7.522 -2.301 5.501 362 HA GLU 49 HA GLU 49 7.079 -2.694 2.829 363 1HB GLU 49 2HB GLU 49 9.221 -2.009 4.021 364 2HB GLU 49 3HB GLU 49 9.574 -3.734 4.225 365 1HG GLU 49 2HG GLU 49 9.399 -3.988 1.731 366 2HG GLU 49 3HG GLU 49 9.081 -2.244 1.611 367 H GLU 50 H GLU 50 8.028 -5.351 5.076 368 HA GLU 50 HA GLU 50 7.869 -7.496 3.290 369 1HB GLU 50 2HB GLU 50 7.344 -7.266 6.288 370 2HB GLU 50 3HB GLU 50 7.214 -8.805 5.430 371 1HG GLU 50 2HG GLU 50 9.530 -8.622 4.647 372 2HG GLU 50 3HG GLU 50 9.720 -7.075 5.496 373 H GLN 51 H GLN 51 5.252 -6.234 5.426 374 HA GLN 51 HA GLN 51 3.423 -8.207 4.553 375 1HB GLN 51 2HB GLN 51 3.494 -6.415 6.621 376 2HB GLN 51 3HB GLN 51 2.305 -5.625 5.601 377 1HG GLN 51 2HG GLN 51 2.261 -8.545 6.556 378 2HG GLN 51 3HG GLN 51 1.242 -7.263 7.195 379 1HE2 GLN 51 1HE2 GLN 51 -0.614 -6.588 6.078 380 2HE2 GLN 51 2HE2 GLN 51 -1.223 -7.503 4.711 381 H LEU 52 H LEU 52 3.789 -4.749 3.650 382 HA LEU 52 HA LEU 52 1.868 -4.531 1.654 383 1HB LEU 52 2HB LEU 52 4.677 -3.401 1.833 384 2HB LEU 52 3HB LEU 52 3.520 -2.864 0.624 385 HG LEU 52 HG LEU 52 2.823 -2.762 3.577 386 1HD1 LEU 52 1HD1 LEU 52 3.747 -0.609 3.788 387 2HD1 LEU 52 2HD1 LEU 52 5.016 -1.519 2.983 388 3HD1 LEU 52 3HD1 LEU 52 4.001 -0.424 2.038 389 1HD2 LEU 52 1HD2 LEU 52 1.012 -2.482 1.814 390 2HD2 LEU 52 2HD2 LEU 52 1.207 -1.118 2.921 391 3HD2 LEU 52 3HD2 LEU 52 1.858 -1.026 1.271 392 H ARG 53 H ARG 53 5.226 -5.824 1.318 393 HA ARG 53 HA ARG 53 5.248 -6.365 -1.378 394 1HB ARG 53 2HB ARG 53 6.904 -7.012 0.691 395 2HB ARG 53 3HB ARG 53 6.189 -8.590 0.439 396 1HG ARG 53 2HG ARG 53 8.137 -8.606 -0.835 397 2HG ARG 53 3HG ARG 53 6.868 -8.327 -2.047 398 1HD ARG 53 2HD ARG 53 7.346 -5.893 -1.963 399 2HD ARG 53 3HD ARG 53 8.537 -6.160 -0.665 400 HE ARG 53 HE ARG 53 9.360 -7.718 -2.861 401 1HH1 ARG 53 2HH2 ARG 53 8.918 -4.380 -1.892 402 2HH1 ARG 53 1HH2 ARG 53 9.705 -3.633 -3.201 403 1HH2 ARG 53 2HH1 ARG 53 10.886 -6.846 -4.463 404 2HH2 ARG 53 1HH1 ARG 53 11.139 -5.126 -4.537 405 H THR 54 H THR 54 3.956 -8.588 1.111 406 HA THR 54 HA THR 54 3.012 -10.478 -0.884 407 HB THR 54 HB THR 54 2.493 -10.363 2.115 408 HG1 THR 54 1HG THR 54 4.702 -10.500 1.540 409 1HG2 THR 54 1HG2 THR 54 2.149 -12.824 1.818 410 2HG2 THR 54 2HG2 THR 54 0.904 -11.874 0.989 411 3HG2 THR 54 3HG2 THR 54 2.227 -12.611 0.057 412 H ALA 55 H ALA 55 1.332 -8.264 1.408 413 HA ALA 55 HA ALA 55 -1.307 -8.878 0.656 414 1HB ALA 55 1HB ALA 55 -0.138 -6.236 1.638 415 2HB ALA 55 2HB ALA 55 -1.866 -6.661 1.613 416 3HB ALA 55 3HB ALA 55 -0.746 -7.572 2.638 417 H ILE 56 H ILE 56 0.827 -6.229 -0.559 418 HA ILE 56 HA ILE 56 -0.959 -5.438 -2.619 419 HB ILE 56 HB ILE 56 2.077 -5.204 -2.688 420 1HG1 ILE 56 2HG1 ILE 56 -0.054 -3.146 -1.960 421 2HG1 ILE 56 3HG1 ILE 56 0.842 -4.055 -0.735 422 1HG2 ILE 56 1HG2 ILE 56 1.336 -3.314 -4.276 423 2HG2 ILE 56 2HG2 ILE 56 1.233 -4.952 -4.905 424 3HG2 ILE 56 3HG2 ILE 56 -0.230 -4.106 -4.330 425 1HD1 ILE 56 1HD1 ILE 56 2.986 -3.143 -1.688 426 2HD1 ILE 56 2HD1 ILE 56 2.000 -2.019 -2.650 427 3HD1 ILE 56 3HD1 ILE 56 1.914 -1.967 -0.897 428 H ALA 57 H ALA 57 1.728 -7.924 -2.780 429 HA ALA 57 HA ALA 57 1.361 -8.567 -5.477 430 1HB ALA 57 1HB ALA 57 2.231 -10.784 -4.957 431 2HB ALA 57 2HB ALA 57 3.151 -9.534 -4.102 432 3HB ALA 57 3HB ALA 57 1.961 -10.528 -3.227 433 H SER 58 H SER 58 -0.598 -9.631 -2.687 434 HA SER 58 HA SER 58 -2.308 -11.441 -3.989 435 1HB SER 58 2HB SER 58 -2.189 -10.713 -1.481 436 2HB SER 58 3HB SER 58 -3.375 -9.472 -1.947 437 HG SER 58 HG SER 58 -4.396 -11.369 -1.245 438 H ALA 59 H ALA 59 -2.500 -7.859 -3.881 439 HA ALA 59 HA ALA 59 -4.989 -7.740 -5.422 440 1HB ALA 59 1HB ALA 59 -4.545 -5.309 -5.414 441 2HB ALA 59 2HB ALA 59 -4.476 -6.007 -3.784 442 3HB ALA 59 3HB ALA 59 -2.971 -5.603 -4.637 443 H GLY 60 H GLY 60 -1.514 -7.440 -6.049 444 1HA GLY 60 2HA GLY 60 -0.377 -7.904 -8.014 445 2HA GLY 60 3HA GLY 60 -1.898 -7.972 -8.911 446 H HIS 61 H HIS 61 0.135 -5.602 -7.110 447 HA HIS 61 HA HIS 61 -0.325 -3.625 -9.303 448 1HB HIS 61 2HB HIS 61 0.256 -3.256 -6.359 449 2HB HIS 61 3HB HIS 61 0.523 -1.964 -7.492 450 HD1 HIS 61 1HD HIS 61 -1.446 -0.314 -7.552 451 HD2 HIS 61 2HD HIS 61 -2.462 -4.200 -6.342 452 HE1 HIS 61 1HE HIS 61 -3.872 -0.220 -6.800 453 H GLU 62 H GLU 62 1.446 -2.794 -10.333 454 HA GLU 62 HA GLU 62 3.998 -4.092 -10.157 455 1HB GLU 62 2HB GLU 62 3.147 -1.648 -11.786 456 2HB GLU 62 3HB GLU 62 4.494 -2.743 -12.115 457 1HG GLU 62 2HG GLU 62 1.532 -3.479 -12.254 458 2HG GLU 62 3HG GLU 62 2.605 -3.158 -13.614 459 H VAL 63 H VAL 63 3.734 -2.995 -7.738 460 HA VAL 63 HA VAL 63 5.317 -0.465 -7.669 461 HB VAL 63 HB VAL 63 3.287 -0.262 -6.613 462 1HG1 VAL 63 1HG1 VAL 63 3.686 -2.798 -5.055 463 2HG1 VAL 63 2HG1 VAL 63 2.431 -1.545 -4.807 464 3HG1 VAL 63 3HG1 VAL 63 2.471 -2.441 -6.316 465 1HG2 VAL 63 1HG2 VAL 63 5.120 -0.902 -4.261 466 2HG2 VAL 63 2HG2 VAL 63 5.355 0.537 -5.263 467 3HG2 VAL 63 3HG2 VAL 63 3.861 0.338 -4.334 468 H GLU 64 H GLU 64 7.204 -0.310 -6.604 469 HA GLU 64 HA GLU 64 8.643 -2.817 -5.873 470 1HB GLU 64 2HB GLU 64 9.547 0.014 -6.530 471 2HB GLU 64 3HB GLU 64 10.540 -1.072 -5.560 472 1HG GLU 64 2HG GLU 64 10.492 -2.773 -7.372 473 2HG GLU 64 3HG GLU 64 9.633 -1.615 -8.408 Start of MODEL 7 1 1H MET 1 H1 MET 1 9.801 1.661 9.387 2 2H MET 1 H2 MET 1 9.540 1.335 11.009 3 3H MET 1 H3 MET 1 8.292 1.239 9.939 4 HA MET 1 HA MET 1 7.855 3.224 10.829 5 1HB MET 1 2HB MET 1 9.693 4.946 11.159 6 2HB MET 1 3HB MET 1 9.658 3.575 12.269 7 1HG MET 1 2HG MET 1 11.500 2.487 11.074 8 2HG MET 1 3HG MET 1 11.556 3.814 9.897 9 1HE MET 1 1HE MET 1 13.930 2.508 11.813 10 2HE MET 1 2HE MET 1 14.207 3.679 10.497 11 3HE MET 1 3HE MET 1 14.839 4.001 12.129 12 H THR 2 H THR 2 7.080 4.807 9.472 13 HA THR 2 HA THR 2 6.354 5.312 7.339 14 HB THR 2 HB THR 2 7.154 7.282 8.368 15 HG1 THR 2 1HG THR 2 8.272 7.113 5.781 16 1HG2 THR 2 1HG2 THR 2 9.499 8.088 8.159 17 2HG2 THR 2 2HG2 THR 2 9.371 6.639 9.161 18 3HG2 THR 2 3HG2 THR 2 9.979 6.516 7.498 19 H ILE 3 H ILE 3 6.699 3.159 6.292 20 HA ILE 3 HA ILE 3 9.075 2.942 4.568 21 HB ILE 3 HB ILE 3 6.616 1.168 4.704 22 1HG1 ILE 3 2HG1 ILE 3 7.534 1.294 7.000 23 2HG1 ILE 3 3HG1 ILE 3 7.698 -0.290 6.266 24 1HG2 ILE 3 1HG2 ILE 3 8.072 -0.513 3.754 25 2HG2 ILE 3 2HG2 ILE 3 8.158 0.950 2.776 26 3HG2 ILE 3 3HG2 ILE 3 9.486 0.566 3.854 27 1HD1 ILE 3 1HD1 ILE 3 10.001 1.686 6.336 28 2HD1 ILE 3 2HD1 ILE 3 9.692 0.450 7.574 29 3HD1 ILE 3 3HD1 ILE 3 10.051 -0.041 5.922 30 H GLN 4 H GLN 4 9.037 4.223 2.718 31 HA GLN 4 HA GLN 4 6.464 4.758 1.380 32 1HB GLN 4 2HB GLN 4 7.900 6.708 1.961 33 2HB GLN 4 3HB GLN 4 9.157 6.052 0.892 34 1HG GLN 4 2HG GLN 4 7.451 6.090 -1.004 35 2HG GLN 4 3HG GLN 4 6.318 6.855 0.104 36 1HE2 GLN 4 1HE2 GLN 4 9.408 7.234 -1.630 37 2HE2 GLN 4 2HE2 GLN 4 9.414 8.987 -1.566 38 H LEU 5 H LEU 5 5.970 3.756 -0.495 39 HA LEU 5 HA LEU 5 8.169 2.581 -2.179 40 1HB LEU 5 2HB LEU 5 5.399 1.397 -1.699 41 2HB LEU 5 3HB LEU 5 6.525 0.885 -2.941 42 HG LEU 5 HG LEU 5 6.514 -0.674 -1.166 43 1HD1 LEU 5 1HD1 LEU 5 8.904 -0.862 -0.743 44 2HD1 LEU 5 2HD1 LEU 5 8.641 -0.265 -2.393 45 3HD1 LEU 5 3HD1 LEU 5 9.149 0.854 -1.111 46 1HD2 LEU 5 1HD2 LEU 5 7.727 1.303 0.735 47 2HD2 LEU 5 2HD2 LEU 5 5.971 1.063 0.676 48 3HD2 LEU 5 3HD2 LEU 5 7.058 -0.296 1.072 49 H THR 6 H THR 6 7.543 2.323 -4.482 50 HA THR 6 HA THR 6 5.972 4.701 -5.389 51 HB THR 6 HB THR 6 8.315 3.198 -6.615 52 HG1 THR 6 1HG THR 6 9.464 4.920 -5.951 53 1HG2 THR 6 1HG2 THR 6 8.328 5.107 -8.238 54 2HG2 THR 6 2HG2 THR 6 6.867 4.120 -8.390 55 3HG2 THR 6 3HG2 THR 6 6.798 5.686 -7.546 56 H VAL 7 H VAL 7 4.021 4.141 -6.208 57 HA VAL 7 HA VAL 7 3.608 1.366 -7.285 58 HB VAL 7 HB VAL 7 2.622 1.488 -5.193 59 1HG1 VAL 7 1HG1 VAL 7 2.556 3.842 -4.677 60 2HG1 VAL 7 2HG1 VAL 7 1.321 4.123 -5.914 61 3HG1 VAL 7 3HG1 VAL 7 0.950 3.142 -4.482 62 1HG2 VAL 7 1HG2 VAL 7 0.343 0.997 -5.608 63 2HG2 VAL 7 2HG2 VAL 7 0.312 1.955 -7.091 64 3HG2 VAL 7 3HG2 VAL 7 1.258 0.472 -7.025 65 HA PRO 8 HA PRO 8 3.122 4.589 -10.502 66 1HB PRO 8 2HB PRO 8 3.766 3.098 -12.733 67 2HB PRO 8 3HB PRO 8 4.974 3.829 -11.632 68 1HG PRO 8 2HG PRO 8 3.930 0.987 -11.588 69 2HG PRO 8 3HG PRO 8 5.630 1.534 -11.531 70 1HD PRO 8 2HD PRO 8 4.283 0.888 -9.288 71 2HD PRO 8 3HD PRO 8 5.410 2.266 -9.299 72 H THR 9 H THR 9 1.725 1.449 -10.197 73 HA THR 9 HA THR 9 -0.469 1.790 -12.069 74 HB THR 9 HB THR 9 0.592 -0.338 -11.857 75 HG1 THR 9 1HG THR 9 -1.805 -0.444 -11.848 76 1HG2 THR 9 1HG2 THR 9 1.708 -0.369 -9.767 77 2HG2 THR 9 2HG2 THR 9 0.178 -0.053 -8.892 78 3HG2 THR 9 3HG2 THR 9 0.461 -1.594 -9.712 79 H ILE 10 H ILE 10 -0.037 3.240 -8.991 80 HA ILE 10 HA ILE 10 -2.415 2.806 -7.771 81 HB ILE 10 HB ILE 10 -0.419 4.909 -7.745 82 1HG1 ILE 10 2HG1 ILE 10 -2.647 4.019 -5.933 83 2HG1 ILE 10 3HG1 ILE 10 -1.010 3.381 -5.932 84 1HG2 ILE 10 1HG2 ILE 10 -3.237 6.023 -7.443 85 2HG2 ILE 10 2HG2 ILE 10 -1.721 6.853 -7.085 86 3HG2 ILE 10 3HG2 ILE 10 -2.091 6.432 -8.748 87 1HD1 ILE 10 1HD1 ILE 10 -1.931 6.100 -4.938 88 2HD1 ILE 10 2HD1 ILE 10 -1.114 4.804 -4.055 89 3HD1 ILE 10 3HD1 ILE 10 -0.219 5.738 -5.257 90 H ALA 11 H ALA 11 -4.501 3.358 -7.903 91 HA ALA 11 HA ALA 11 -6.492 3.734 -8.868 92 1HB ALA 11 1HB ALA 11 -5.756 6.094 -8.659 93 2HB ALA 11 2HB ALA 11 -5.145 6.035 -10.328 94 3HB ALA 11 3HB ALA 11 -6.875 5.827 -10.007 95 H CYS 12 H CYS 12 -4.251 2.110 -10.437 96 HA CYS 12 HA CYS 12 -5.955 1.750 -12.861 97 1HB CYS 12 2HB CYS 12 -3.717 2.975 -13.241 98 2HB CYS 12 3HB CYS 12 -2.934 1.442 -12.806 99 HG CYS 12 HG CYS 12 -5.153 2.144 -15.135 100 H GLU 13 H GLU 13 -6.583 0.487 -10.689 101 HA GLU 13 HA GLU 13 -6.675 -2.150 -11.516 102 1HB GLU 13 2HB GLU 13 -4.319 -2.139 -10.396 103 2HB GLU 13 3HB GLU 13 -5.174 -2.051 -8.863 104 1HG GLU 13 2HG GLU 13 -5.541 -4.203 -11.001 105 2HG GLU 13 3HG GLU 13 -4.529 -4.352 -9.559 106 H ALA 14 H ALA 14 -6.960 -2.111 -8.075 107 HA ALA 14 HA ALA 14 -9.721 -1.022 -8.198 108 1HB ALA 14 1HB ALA 14 -10.043 -2.408 -6.218 109 2HB ALA 14 2HB ALA 14 -9.302 -3.355 -7.524 110 3HB ALA 14 3HB ALA 14 -8.303 -2.779 -6.173 111 H CYS 15 H CYS 15 -7.190 0.707 -7.809 112 HA CYS 15 HA CYS 15 -6.657 2.599 -6.773 113 1HB CYS 15 2HB CYS 15 -9.376 2.440 -5.398 114 2HB CYS 15 3HB CYS 15 -8.183 3.704 -5.089 115 HG CYS 15 HG CYS 15 -9.515 2.829 -7.947 116 H ALA 16 H ALA 16 -5.460 3.286 -5.054 117 HA ALA 16 HA ALA 16 -4.196 1.253 -3.583 118 1HB ALA 16 1HB ALA 16 -4.223 4.264 -3.167 119 2HB ALA 16 2HB ALA 16 -3.260 3.133 -2.192 120 3HB ALA 16 3HB ALA 16 -2.978 3.235 -3.928 121 H GLU 17 H GLU 17 -7.152 2.987 -2.715 122 HA GLU 17 HA GLU 17 -7.130 2.524 0.052 123 1HB GLU 17 2HB GLU 17 -9.546 2.614 -0.046 124 2HB GLU 17 3HB GLU 17 -8.798 3.890 -1.011 125 1HG GLU 17 2HG GLU 17 -9.203 2.481 -3.074 126 2HG GLU 17 3HG GLU 17 -10.087 1.332 -2.056 127 H ALA 18 H ALA 18 -7.690 0.284 -2.680 128 HA ALA 18 HA ALA 18 -8.661 -1.959 -1.282 129 1HB ALA 18 1HB ALA 18 -8.522 -1.776 -3.744 130 2HB ALA 18 2HB ALA 18 -6.754 -1.894 -3.666 131 3HB ALA 18 3HB ALA 18 -7.756 -3.262 -3.149 132 H VAL 19 H VAL 19 -5.199 -1.135 -2.050 133 HA VAL 19 HA VAL 19 -4.242 -3.294 -0.446 134 HB VAL 19 HB VAL 19 -2.903 -1.916 -2.226 135 1HG1 VAL 19 1HG1 VAL 19 -2.788 0.254 -0.910 136 2HG1 VAL 19 2HG1 VAL 19 -1.915 -0.615 0.375 137 3HG1 VAL 19 3HG1 VAL 19 -1.206 -0.459 -1.235 138 1HG2 VAL 19 1HG2 VAL 19 -1.772 -3.096 0.357 139 2HG2 VAL 19 2HG2 VAL 19 -2.212 -3.991 -1.107 140 3HG2 VAL 19 3HG2 VAL 19 -0.857 -2.848 -1.128 141 H THR 20 H THR 20 -4.987 0.108 0.234 142 HA THR 20 HA THR 20 -3.828 0.346 2.780 143 HB THR 20 HB THR 20 -6.478 1.563 1.900 144 HG1 THR 20 1HG THR 20 -4.741 2.051 0.458 145 1HG2 THR 20 1HG2 THR 20 -6.107 1.838 4.299 146 2HG2 THR 20 2HG2 THR 20 -4.470 2.447 3.956 147 3HG2 THR 20 3HG2 THR 20 -5.894 3.369 3.431 148 H LYS 21 H LYS 21 -7.191 -0.787 1.995 149 HA LYS 21 HA LYS 21 -7.835 -1.470 4.690 150 1HB LYS 21 2HB LYS 21 -8.872 -2.795 2.153 151 2HB LYS 21 3HB LYS 21 -9.589 -2.848 3.774 152 1HG LYS 21 2HG LYS 21 -9.374 -0.137 3.426 153 2HG LYS 21 3HG LYS 21 -9.589 -0.647 1.748 154 1HD LYS 21 2HD LYS 21 -11.407 -1.359 4.078 155 2HD LYS 21 3HD LYS 21 -11.723 -0.071 2.910 156 1HE LYS 21 2HE LYS 21 -12.412 -1.479 1.260 157 2HE LYS 21 3HE LYS 21 -11.174 -2.687 1.600 158 1HZ LYS 21 1HZ LYS 21 -13.640 -2.346 3.163 159 2HZ LYS 21 2HZ LYS 21 -13.349 -3.525 2.052 160 3HZ LYS 21 3HZ LYS 21 -12.464 -3.469 3.435 161 H ALA 22 H ALA 22 -6.380 -3.419 2.060 162 HA ALA 22 HA ALA 22 -6.309 -5.904 3.440 163 1HB ALA 22 1HB ALA 22 -5.790 -5.619 1.036 164 2HB ALA 22 2HB ALA 22 -4.268 -4.809 1.491 165 3HB ALA 22 3HB ALA 22 -4.520 -6.513 1.915 166 H VAL 23 H VAL 23 -3.942 -3.253 3.377 167 HA VAL 23 HA VAL 23 -1.975 -4.497 5.018 168 HB VAL 23 HB VAL 23 -2.564 -1.581 4.382 169 1HG1 VAL 23 1HG1 VAL 23 -1.115 -1.702 6.408 170 2HG1 VAL 23 2HG1 VAL 23 -0.045 -2.852 5.561 171 3HG1 VAL 23 3HG1 VAL 23 -0.173 -1.183 4.992 172 1HG2 VAL 23 1HG2 VAL 23 -0.270 -3.223 3.275 173 2HG2 VAL 23 2HG2 VAL 23 -1.845 -3.308 2.518 174 3HG2 VAL 23 3HG2 VAL 23 -1.014 -1.744 2.633 175 H GLN 24 H GLN 24 -4.663 -2.236 5.662 176 HA GLN 24 HA GLN 24 -4.142 -2.125 8.502 177 1HB GLN 24 2HB GLN 24 -6.675 -1.406 6.984 178 2HB GLN 24 3HB GLN 24 -6.352 -1.090 8.694 179 1HG GLN 24 2HG GLN 24 -4.074 -0.036 7.447 180 2HG GLN 24 3HG GLN 24 -5.371 0.363 6.322 181 1HE2 GLN 24 1HE2 GLN 24 -3.723 1.588 8.990 182 2HE2 GLN 24 2HE2 GLN 24 -4.947 2.734 9.428 183 H ASN 25 H ASN 25 -5.858 -4.524 6.537 184 HA ASN 25 HA ASN 25 -7.457 -5.620 8.609 185 1HB ASN 25 2HB ASN 25 -6.036 -7.057 6.329 186 2HB ASN 25 3HB ASN 25 -7.176 -7.820 7.428 187 1HD2 ASN 25 1HD2 ASN 25 -7.567 -7.782 4.649 188 2HD2 ASN 25 2HD2 ASN 25 -9.016 -6.837 4.340 189 H GLU 26 H GLU 26 -4.064 -6.525 7.703 190 HA GLU 26 HA GLU 26 -3.715 -8.074 10.156 191 1HB GLU 26 2HB GLU 26 -1.622 -7.003 8.215 192 2HB GLU 26 3HB GLU 26 -1.422 -8.279 9.421 193 1HG GLU 26 2HG GLU 26 -3.194 -8.443 6.930 194 2HG GLU 26 3HG GLU 26 -1.650 -9.267 7.192 195 H ASP 27 H ASP 27 -2.357 -5.035 8.815 196 HA ASP 27 HA ASP 27 -1.111 -4.456 11.375 197 1HB ASP 27 2HB ASP 27 -0.033 -4.349 9.020 198 2HB ASP 27 3HB ASP 27 -0.895 -2.840 8.782 199 H ALA 28 H ALA 28 -3.519 -4.286 12.070 200 HA ALA 28 HA ALA 28 -5.110 -2.034 11.273 201 1HB ALA 28 1HB ALA 28 -6.521 -2.646 13.193 202 2HB ALA 28 2HB ALA 28 -6.037 -4.095 12.291 203 3HB ALA 28 3HB ALA 28 -5.236 -3.698 13.828 204 H GLN 29 H GLN 29 -2.443 -2.312 13.379 205 HA GLN 29 HA GLN 29 -3.012 0.091 14.947 206 1HB GLN 29 2HB GLN 29 -0.940 -0.477 16.055 207 2HB GLN 29 3HB GLN 29 -2.046 -1.844 16.022 208 1HG GLN 29 2HG GLN 29 -0.704 -2.877 14.180 209 2HG GLN 29 3HG GLN 29 0.371 -1.476 14.190 210 1HE2 GLN 29 1HE2 GLN 29 -0.489 -4.479 15.817 211 2HE2 GLN 29 2HE2 GLN 29 0.792 -4.394 17.015 212 H ALA 30 H ALA 30 -1.629 -0.534 11.815 213 HA ALA 30 HA ALA 30 0.395 1.573 12.024 214 1HB ALA 30 1HB ALA 30 0.668 1.063 9.568 215 2HB ALA 30 2HB ALA 30 0.940 -0.266 10.707 216 3HB ALA 30 3HB ALA 30 -0.568 -0.195 9.753 217 H THR 31 H THR 31 0.534 3.315 10.504 218 HA THR 31 HA THR 31 -2.116 4.587 9.898 219 HB THR 31 HB THR 31 0.559 5.840 10.591 220 HG1 THR 31 1HG THR 31 -0.821 4.869 12.265 221 1HG2 THR 31 1HG2 THR 31 -2.129 7.132 9.937 222 2HG2 THR 31 2HG2 THR 31 -0.724 7.976 10.615 223 3HG2 THR 31 3HG2 THR 31 -0.633 7.288 8.986 224 H VAL 32 H VAL 32 -2.425 5.331 7.853 225 HA VAL 32 HA VAL 32 -0.487 4.466 5.765 226 HB VAL 32 HB VAL 32 -2.522 4.340 4.334 227 1HG1 VAL 32 1HG1 VAL 32 -1.853 2.555 6.600 228 2HG1 VAL 32 2HG1 VAL 32 -3.526 2.390 6.067 229 3HG1 VAL 32 3HG1 VAL 32 -2.210 2.183 4.907 230 1HG2 VAL 32 1HG2 VAL 32 -4.105 4.695 6.923 231 2HG2 VAL 32 2HG2 VAL 32 -3.997 5.896 5.614 232 3HG2 VAL 32 3HG2 VAL 32 -4.748 4.334 5.324 233 H GLN 33 H GLN 33 0.055 6.009 4.105 234 HA GLN 33 HA GLN 33 -1.329 8.608 4.102 235 1HB GLN 33 2HB GLN 33 0.708 8.376 5.844 236 2HB GLN 33 3HB GLN 33 1.674 8.744 4.432 237 1HG GLN 33 2HG GLN 33 -0.670 10.404 5.439 238 2HG GLN 33 3HG GLN 33 1.017 10.683 5.871 239 1HE2 GLN 33 1HE2 GLN 33 -1.126 12.224 4.175 240 2HE2 GLN 33 2HE2 GLN 33 -0.202 12.662 2.748 241 H VAL 34 H VAL 34 -2.002 7.495 2.156 242 HA VAL 34 HA VAL 34 0.063 7.123 0.082 243 HB VAL 34 HB VAL 34 -1.279 5.202 0.614 244 1HG1 VAL 34 1HG1 VAL 34 -3.751 6.680 -0.367 245 2HG1 VAL 34 2HG1 VAL 34 -3.627 4.976 0.089 246 3HG1 VAL 34 3HG1 VAL 34 -3.419 6.228 1.319 247 1HG2 VAL 34 1HG2 VAL 34 -2.129 6.185 -2.134 248 2HG2 VAL 34 2HG2 VAL 34 -0.451 5.764 -1.763 249 3HG2 VAL 34 3HG2 VAL 34 -1.703 4.539 -1.611 250 H ASP 35 H ASP 35 0.298 8.481 -1.588 251 HA ASP 35 HA ASP 35 -1.554 10.804 -1.637 252 1HB ASP 35 2HB ASP 35 1.232 10.383 -2.725 253 2HB ASP 35 3HB ASP 35 0.248 11.819 -2.997 254 H LEU 36 H LEU 36 -3.167 9.415 -2.572 255 HA LEU 36 HA LEU 36 -3.195 8.314 -5.158 256 1HB LEU 36 2HB LEU 36 -5.312 9.875 -3.636 257 2HB LEU 36 3HB LEU 36 -5.636 9.005 -5.133 258 HG LEU 36 HG LEU 36 -4.225 7.282 -3.202 259 1HD1 LEU 36 1HD1 LEU 36 -5.377 8.646 -1.520 260 2HD1 LEU 36 2HD1 LEU 36 -6.928 8.400 -2.357 261 3HD1 LEU 36 3HD1 LEU 36 -6.086 7.024 -1.613 262 1HD2 LEU 36 1HD2 LEU 36 -6.946 7.070 -4.560 263 2HD2 LEU 36 2HD2 LEU 36 -5.405 6.482 -5.225 264 3HD2 LEU 36 3HD2 LEU 36 -6.076 5.756 -3.749 265 H THR 37 H THR 37 -3.092 11.745 -4.218 266 HA THR 37 HA THR 37 -3.597 13.170 -6.452 267 HB THR 37 HB THR 37 -1.032 13.447 -4.832 268 HG1 THR 37 1HG THR 37 -2.332 14.291 -3.178 269 1HG2 THR 37 1HG2 THR 37 -1.592 15.842 -4.899 270 2HG2 THR 37 2HG2 THR 37 -1.520 15.184 -6.543 271 3HG2 THR 37 3HG2 THR 37 -3.096 15.489 -5.778 272 H SER 38 H SER 38 -0.740 11.100 -5.862 273 HA SER 38 HA SER 38 0.159 11.425 -8.672 274 1HB SER 38 2HB SER 38 1.935 11.554 -6.193 275 2HB SER 38 3HB SER 38 2.480 11.558 -7.897 276 HG SER 38 HG SER 38 2.316 13.680 -7.017 277 H LYS 39 H LYS 39 2.359 9.532 -6.914 278 HA LYS 39 HA LYS 39 0.714 7.152 -6.803 279 1HB LYS 39 2HB LYS 39 1.731 5.961 -8.645 280 2HB LYS 39 3HB LYS 39 0.891 7.388 -9.194 281 1HG LYS 39 2HG LYS 39 3.276 8.527 -9.157 282 2HG LYS 39 3HG LYS 39 3.852 6.847 -9.079 283 1HD LYS 39 2HD LYS 39 2.103 6.495 -11.056 284 2HD LYS 39 3HD LYS 39 2.180 8.249 -11.204 285 1HE LYS 39 2HE LYS 39 4.586 8.163 -11.687 286 2HE LYS 39 3HE LYS 39 4.663 6.447 -11.258 287 1HZ LYS 39 1HZ LYS 39 3.209 7.544 -13.568 288 2HZ LYS 39 2HZ LYS 39 4.626 6.708 -13.609 289 3HZ LYS 39 3HZ LYS 39 3.242 5.959 -13.130 290 H LYS 40 H LYS 40 2.293 8.437 -4.855 291 HA LYS 40 HA LYS 40 4.265 6.271 -4.317 292 1HB LYS 40 2HB LYS 40 5.376 7.623 -2.763 293 2HB LYS 40 3HB LYS 40 5.241 8.531 -4.259 294 1HG LYS 40 2HG LYS 40 4.920 10.069 -2.560 295 2HG LYS 40 3HG LYS 40 3.319 9.829 -3.221 296 1HD LYS 40 2HD LYS 40 2.539 8.806 -1.263 297 2HD LYS 40 3HD LYS 40 4.127 8.147 -0.829 298 1HE LYS 40 2HE LYS 40 4.854 10.236 0.070 299 2HE LYS 40 3HE LYS 40 3.514 11.121 -0.669 300 1HZ LYS 40 1HZ LYS 40 3.067 10.720 1.687 301 2HZ LYS 40 2HZ LYS 40 1.986 10.003 0.765 302 3HZ LYS 40 3HZ LYS 40 3.188 9.087 1.463 303 H VAL 41 H VAL 41 4.051 5.198 -2.324 304 HA VAL 41 HA VAL 41 1.576 5.760 -0.764 305 HB VAL 41 HB VAL 41 1.113 3.753 -2.036 306 1HG1 VAL 41 1HG1 VAL 41 3.664 2.565 -0.878 307 2HG1 VAL 41 2HG1 VAL 41 2.467 1.713 -1.869 308 3HG1 VAL 41 3HG1 VAL 41 3.427 3.013 -2.582 309 1HG2 VAL 41 1HG2 VAL 41 0.438 3.847 0.387 310 2HG2 VAL 41 2HG2 VAL 41 0.639 2.204 -0.240 311 3HG2 VAL 41 3HG2 VAL 41 1.889 2.919 0.792 312 H THR 42 H THR 42 1.920 5.853 1.462 313 HA THR 42 HA THR 42 4.622 5.099 2.414 314 HB THR 42 HB THR 42 2.995 7.455 3.400 315 HG1 THR 42 1HG THR 42 5.211 7.540 1.659 316 1HG2 THR 42 1HG2 THR 42 5.114 8.186 4.421 317 2HG2 THR 42 2HG2 THR 42 4.611 6.603 5.031 318 3HG2 THR 42 3HG2 THR 42 5.915 6.715 3.829 319 H ILE 43 H ILE 43 4.419 3.575 3.966 320 HA ILE 43 HA ILE 43 1.904 3.416 5.605 321 HB ILE 43 HB ILE 43 3.822 1.260 4.675 322 1HG1 ILE 43 2HG1 ILE 43 2.286 1.758 2.900 323 2HG1 ILE 43 3HG1 ILE 43 1.776 0.261 3.705 324 1HG2 ILE 43 1HG2 ILE 43 1.441 0.943 6.543 325 2HG2 ILE 43 2HG2 ILE 43 2.413 -0.363 5.818 326 3HG2 ILE 43 3HG2 ILE 43 3.150 0.760 6.961 327 1HD1 ILE 43 1HD1 ILE 43 -0.175 1.509 3.164 328 2HD1 ILE 43 2HD1 ILE 43 0.018 1.549 4.923 329 3HD1 ILE 43 3HD1 ILE 43 0.437 2.971 3.938 330 H THR 44 H THR 44 2.270 4.317 7.518 331 HA THR 44 HA THR 44 4.964 4.216 8.762 332 HB THR 44 HB THR 44 2.411 5.645 9.518 333 HG1 THR 44 1HG THR 44 3.550 6.451 7.718 334 1HG2 THR 44 1HG2 THR 44 5.194 5.743 10.783 335 2HG2 THR 44 2HG2 THR 44 3.841 6.824 11.170 336 3HG2 THR 44 3HG2 THR 44 3.723 5.101 11.556 337 H SER 45 H SER 45 5.172 2.101 9.120 338 HA SER 45 HA SER 45 3.721 1.029 11.458 339 1HB SER 45 2HB SER 45 3.396 -1.142 10.468 340 2HB SER 45 3HB SER 45 2.682 -0.017 9.307 341 HG SER 45 HG SER 45 4.529 -0.142 8.080 342 H ALA 46 H ALA 46 4.980 -1.115 12.045 343 HA ALA 46 HA ALA 46 7.891 -0.719 11.925 344 1HB ALA 46 1HB ALA 46 6.871 -1.615 13.963 345 2HB ALA 46 2HB ALA 46 6.208 -2.992 13.051 346 3HB ALA 46 3HB ALA 46 7.967 -2.797 13.219 347 H LEU 47 H LEU 47 5.416 -2.963 10.544 348 HA LEU 47 HA LEU 47 7.601 -4.527 9.286 349 1HB LEU 47 2HB LEU 47 6.090 -6.322 9.145 350 2HB LEU 47 3HB LEU 47 6.060 -5.722 10.791 351 HG LEU 47 HG LEU 47 3.933 -4.669 8.914 352 1HD1 LEU 47 1HD1 LEU 47 4.051 -7.110 8.368 353 2HD1 LEU 47 2HD1 LEU 47 3.833 -7.479 10.087 354 3HD1 LEU 47 3HD1 LEU 47 2.544 -6.657 9.181 355 1HD2 LEU 47 1HD2 LEU 47 2.501 -4.954 10.897 356 2HD2 LEU 47 2HD2 LEU 47 3.868 -5.623 11.805 357 3HD2 LEU 47 3HD2 LEU 47 3.890 -3.930 11.262 358 H GLY 48 H GLY 48 6.227 -1.936 8.262 359 1HA GLY 48 2HA GLY 48 4.309 -2.311 6.485 360 2HA GLY 48 3HA GLY 48 5.510 -1.028 6.278 361 H GLU 49 H GLU 49 7.778 -2.407 5.580 362 HA GLU 49 HA GLU 49 7.450 -2.737 2.822 363 1HB GLU 49 2HB GLU 49 9.541 -2.337 4.359 364 2HB GLU 49 3HB GLU 49 9.677 -4.096 4.385 365 1HG GLU 49 2HG GLU 49 9.606 -2.350 1.868 366 2HG GLU 49 3HG GLU 49 11.072 -2.986 2.627 367 H GLU 50 H GLU 50 7.798 -5.258 5.338 368 HA GLU 50 HA GLU 50 7.598 -7.494 3.641 369 1HB GLU 50 2HB GLU 50 8.260 -7.108 6.272 370 2HB GLU 50 3HB GLU 50 6.604 -7.693 6.483 371 1HG GLU 50 2HG GLU 50 7.242 -9.642 4.974 372 2HG GLU 50 3HG GLU 50 8.907 -9.017 5.026 373 H GLN 51 H GLN 51 5.176 -5.883 5.742 374 HA GLN 51 HA GLN 51 3.014 -7.553 5.140 375 1HB GLN 51 2HB GLN 51 3.369 -5.581 6.885 376 2HB GLN 51 3HB GLN 51 2.577 -4.588 5.683 377 1HG GLN 51 2HG GLN 51 1.493 -7.201 6.852 378 2HG GLN 51 3HG GLN 51 1.056 -5.582 7.413 379 1HE2 GLN 51 1HE2 GLN 51 -0.856 -7.551 6.395 380 2HE2 GLN 51 2HE2 GLN 51 -1.579 -6.798 4.997 381 H LEU 52 H LEU 52 3.782 -4.319 3.726 382 HA LEU 52 HA LEU 52 1.974 -4.204 1.703 383 1HB LEU 52 2HB LEU 52 4.879 -3.331 1.926 384 2HB LEU 52 3HB LEU 52 3.952 -2.970 0.500 385 HG LEU 52 HG LEU 52 3.084 -2.097 3.280 386 1HD1 LEU 52 1HD1 LEU 52 4.536 -0.654 1.040 387 2HD1 LEU 52 2HD1 LEU 52 3.978 0.107 2.547 388 3HD1 LEU 52 3HD1 LEU 52 5.232 -1.145 2.608 389 1HD2 LEU 52 1HD2 LEU 52 1.181 -2.167 1.843 390 2HD2 LEU 52 2HD2 LEU 52 1.710 -0.485 1.723 391 3HD2 LEU 52 3HD2 LEU 52 2.090 -1.605 0.434 392 H ARG 53 H ARG 53 5.203 -5.837 1.559 393 HA ARG 53 HA ARG 53 5.206 -6.561 -1.076 394 1HB ARG 53 2HB ARG 53 6.737 -7.265 1.111 395 2HB ARG 53 3HB ARG 53 5.916 -8.783 0.810 396 1HG ARG 53 2HG ARG 53 7.839 -8.960 -0.515 397 2HG ARG 53 3HG ARG 53 6.650 -8.375 -1.697 398 1HD ARG 53 2HD ARG 53 7.464 -5.986 -1.028 399 2HD ARG 53 3HD ARG 53 8.765 -6.801 -0.154 400 HE ARG 53 HE ARG 53 8.600 -7.729 -2.879 401 1HH1 ARG 53 2HH2 ARG 53 9.728 -4.966 -0.938 402 2HH1 ARG 53 1HH2 ARG 53 10.823 -4.380 -2.139 403 1HH2 ARG 53 2HH1 ARG 53 10.050 -6.940 -4.501 404 2HH2 ARG 53 1HH1 ARG 53 11.010 -5.528 -4.197 405 H THR 54 H THR 54 3.641 -8.494 1.535 406 HA THR 54 HA THR 54 2.415 -10.285 -0.332 407 HB THR 54 HB THR 54 1.664 -9.799 2.580 408 HG1 THR 54 1HG THR 54 3.740 -11.309 1.379 409 1HG2 THR 54 1HG2 THR 54 1.469 -12.260 0.769 410 2HG2 THR 54 2HG2 THR 54 1.107 -12.222 2.506 411 3HG2 THR 54 3HG2 THR 54 0.103 -11.299 1.373 412 H ALA 55 H ALA 55 1.128 -7.499 1.567 413 HA ALA 55 HA ALA 55 -1.589 -7.881 0.825 414 1HB ALA 55 1HB ALA 55 -1.901 -5.564 1.628 415 2HB ALA 55 2HB ALA 55 -0.951 -6.557 2.745 416 3HB ALA 55 3HB ALA 55 -0.138 -5.357 1.716 417 H ILE 56 H ILE 56 0.800 -5.528 -0.455 418 HA ILE 56 HA ILE 56 -0.584 -4.620 -2.734 419 HB ILE 56 HB ILE 56 2.377 -5.314 -2.601 420 1HG1 ILE 56 2HG1 ILE 56 1.097 -2.558 -2.224 421 2HG1 ILE 56 3HG1 ILE 56 1.557 -3.564 -0.855 422 1HG2 ILE 56 1HG2 ILE 56 1.324 -4.955 -4.923 423 2HG2 ILE 56 2HG2 ILE 56 0.894 -3.333 -4.339 424 3HG2 ILE 56 3HG2 ILE 56 2.598 -3.847 -4.503 425 1HD1 ILE 56 1HD1 ILE 56 3.908 -3.602 -1.677 426 2HD1 ILE 56 2HD1 ILE 56 3.453 -2.570 -3.030 427 3HD1 ILE 56 3HD1 ILE 56 3.331 -1.936 -1.406 428 H ALA 57 H ALA 57 1.571 -7.582 -2.552 429 HA ALA 57 HA ALA 57 1.051 -8.406 -5.178 430 1HB ALA 57 1HB ALA 57 1.591 -10.158 -2.749 431 2HB ALA 57 2HB ALA 57 1.717 -10.657 -4.446 432 3HB ALA 57 3HB ALA 57 2.803 -9.408 -3.814 433 H SER 58 H SER 58 -0.915 -8.978 -2.260 434 HA SER 58 HA SER 58 -2.762 -10.787 -3.406 435 1HB SER 58 2HB SER 58 -2.494 -10.175 -0.940 436 2HB SER 58 3HB SER 58 -3.466 -8.729 -1.286 437 HG SER 58 HG SER 58 -5.017 -10.297 -2.228 438 H ALA 59 H ALA 59 -2.497 -7.264 -3.764 439 HA ALA 59 HA ALA 59 -5.124 -7.056 -5.126 440 1HB ALA 59 1HB ALA 59 -4.487 -4.728 -5.492 441 2HB ALA 59 2HB ALA 59 -4.331 -5.158 -3.776 442 3HB ALA 59 3HB ALA 59 -2.882 -5.018 -4.796 443 H GLY 60 H GLY 60 -1.641 -6.871 -5.856 444 1HA GLY 60 2HA GLY 60 -0.580 -7.853 -7.731 445 2HA GLY 60 3HA GLY 60 -2.096 -7.839 -8.640 446 H HIS 61 H HIS 61 0.238 -5.601 -7.056 447 HA HIS 61 HA HIS 61 -0.074 -3.706 -9.343 448 1HB HIS 61 2HB HIS 61 0.288 -3.241 -6.385 449 2HB HIS 61 3HB HIS 61 0.721 -2.004 -7.536 450 HD1 HIS 61 1HD HIS 61 -1.656 -1.468 -9.320 451 HD2 HIS 61 2HD HIS 61 -1.825 -2.531 -5.239 452 HE1 HIS 61 1HE HIS 61 -3.686 -0.310 -8.338 453 H GLU 62 H GLU 62 1.782 -2.899 -10.213 454 HA GLU 62 HA GLU 62 4.216 -4.431 -9.879 455 1HB GLU 62 2HB GLU 62 3.545 -2.136 -11.779 456 2HB GLU 62 3HB GLU 62 4.834 -3.337 -11.947 457 1HG GLU 62 2HG GLU 62 1.823 -3.925 -12.090 458 2HG GLU 62 3HG GLU 62 2.942 -3.805 -13.444 459 H VAL 63 H VAL 63 4.105 -3.372 -7.627 460 HA VAL 63 HA VAL 63 5.041 -0.614 -7.432 461 HB VAL 63 HB VAL 63 4.815 -2.767 -5.284 462 1HG1 VAL 63 1HG1 VAL 63 5.081 0.260 -5.013 463 2HG1 VAL 63 2HG1 VAL 63 4.799 -0.872 -3.690 464 3HG1 VAL 63 3HG1 VAL 63 6.325 -0.928 -4.565 465 1HG2 VAL 63 1HG2 VAL 63 2.978 -0.604 -6.337 466 2HG2 VAL 63 2HG2 VAL 63 2.646 -2.334 -6.253 467 3HG2 VAL 63 3HG2 VAL 63 2.694 -1.363 -4.769 468 H GLU 64 H GLU 64 7.018 0.206 -7.002 469 HA GLU 64 HA GLU 64 9.357 -1.629 -6.874 470 1HB GLU 64 2HB GLU 64 8.895 0.407 -8.747 471 2HB GLU 64 3HB GLU 64 9.811 1.225 -7.481 472 1HG GLU 64 2HG GLU 64 11.558 0.494 -8.745 473 2HG GLU 64 3HG GLU 64 11.395 -0.955 -7.752 Start of MODEL 8 1 1H MET 1 H1 MET 1 8.950 0.149 8.013 2 2H MET 1 H2 MET 1 8.657 -0.734 9.388 3 3H MET 1 H3 MET 1 7.538 0.337 8.893 4 HA MET 1 HA MET 1 8.476 1.417 10.598 5 1HB MET 1 2HB MET 1 10.814 1.585 11.042 6 2HB MET 1 3HB MET 1 10.324 -0.095 10.886 7 1HG MET 1 2HG MET 1 11.214 0.292 8.348 8 2HG MET 1 3HG MET 1 12.142 1.545 9.174 9 1HE MET 1 1HE MET 1 12.596 -2.998 9.699 10 2HE MET 1 2HE MET 1 11.052 -2.198 10.060 11 3HE MET 1 3HE MET 1 11.697 -2.194 8.397 12 H THR 2 H THR 2 7.189 2.882 9.294 13 HA THR 2 HA THR 2 6.780 4.597 7.866 14 HB THR 2 HB THR 2 7.615 5.634 9.851 15 HG1 THR 2 1HG THR 2 6.862 6.955 8.281 16 1HG2 THR 2 1HG2 THR 2 9.921 4.953 10.039 17 2HG2 THR 2 2HG2 THR 2 10.350 5.786 8.532 18 3HG2 THR 2 3HG2 THR 2 9.821 6.712 9.941 19 H ILE 3 H ILE 3 7.149 3.024 6.045 20 HA ILE 3 HA ILE 3 9.639 3.609 4.495 21 HB ILE 3 HB ILE 3 7.673 1.301 4.355 22 1HG1 ILE 3 2HG1 ILE 3 9.205 1.306 6.353 23 2HG1 ILE 3 3HG1 ILE 3 9.352 -0.088 5.298 24 1HG2 ILE 3 1HG2 ILE 3 8.504 1.716 2.147 25 2HG2 ILE 3 2HG2 ILE 3 10.168 1.915 2.726 26 3HG2 ILE 3 3HG2 ILE 3 9.385 0.323 2.779 27 1HD1 ILE 3 1HD1 ILE 3 11.428 0.766 4.339 28 2HD1 ILE 3 2HD1 ILE 3 11.276 2.280 5.262 29 3HD1 ILE 3 3HD1 ILE 3 11.544 0.747 6.096 30 H GLN 4 H GLN 4 9.521 4.440 2.480 31 HA GLN 4 HA GLN 4 6.892 5.288 1.416 32 1HB GLN 4 2HB GLN 4 8.431 7.105 1.947 33 2HB GLN 4 3HB GLN 4 9.669 6.392 0.894 34 1HG GLN 4 2HG GLN 4 8.134 6.620 -1.060 35 2HG GLN 4 3HG GLN 4 6.919 7.366 -0.020 36 1HE2 GLN 4 1HE2 GLN 4 8.582 9.124 1.534 37 2HE2 GLN 4 2HE2 GLN 4 9.256 10.298 0.418 38 H LEU 5 H LEU 5 6.208 4.058 -0.248 39 HA LEU 5 HA LEU 5 8.151 2.775 -2.126 40 1HB LEU 5 2HB LEU 5 5.290 1.907 -1.595 41 2HB LEU 5 3HB LEU 5 6.516 1.064 -2.518 42 HG LEU 5 HG LEU 5 6.558 1.485 0.504 43 1HD1 LEU 5 1HD1 LEU 5 6.138 -0.942 0.564 44 2HD1 LEU 5 2HD1 LEU 5 4.819 -0.057 -0.236 45 3HD1 LEU 5 3HD1 LEU 5 5.998 -0.967 -1.208 46 1HD2 LEU 5 1HD2 LEU 5 8.465 -0.126 0.399 47 2HD2 LEU 5 2HD2 LEU 5 8.431 -0.028 -1.374 48 3HD2 LEU 5 3HD2 LEU 5 8.826 1.406 -0.405 49 H THR 6 H THR 6 6.935 2.425 -4.304 50 HA THR 6 HA THR 6 5.270 4.781 -5.033 51 HB THR 6 HB THR 6 7.967 3.948 -6.112 52 HG1 THR 6 1HG THR 6 7.471 5.610 -4.445 53 1HG2 THR 6 1HG2 THR 6 7.589 5.668 -7.921 54 2HG2 THR 6 2HG2 THR 6 6.727 4.144 -8.155 55 3HG2 THR 6 3HG2 THR 6 5.848 5.575 -7.557 56 H VAL 7 H VAL 7 3.572 4.283 -6.143 57 HA VAL 7 HA VAL 7 3.215 1.546 -7.332 58 HB VAL 7 HB VAL 7 1.996 1.654 -5.373 59 1HG1 VAL 7 1HG1 VAL 7 0.293 3.351 -4.808 60 2HG1 VAL 7 2HG1 VAL 7 1.939 3.976 -4.760 61 3HG1 VAL 7 3HG1 VAL 7 0.885 4.372 -6.129 62 1HG2 VAL 7 1HG2 VAL 7 -0.162 1.150 -6.021 63 2HG2 VAL 7 2HG2 VAL 7 -0.138 2.293 -7.360 64 3HG2 VAL 7 3HG2 VAL 7 0.820 0.801 -7.456 65 HA PRO 8 HA PRO 8 2.990 4.714 -10.680 66 1HB PRO 8 2HB PRO 8 3.826 3.071 -12.733 67 2HB PRO 8 3HB PRO 8 4.932 3.975 -11.664 68 1HG PRO 8 2HG PRO 8 4.102 1.081 -11.415 69 2HG PRO 8 3HG PRO 8 5.744 1.774 -11.292 70 1HD PRO 8 2HD PRO 8 4.312 1.183 -9.107 71 2HD PRO 8 3HD PRO 8 5.321 2.646 -9.150 72 H THR 9 H THR 9 1.912 1.333 -10.509 73 HA THR 9 HA THR 9 -0.326 1.892 -12.326 74 HB THR 9 HB THR 9 1.129 -0.125 -12.444 75 HG1 THR 9 1HG THR 9 -1.677 -0.322 -12.156 76 1HG2 THR 9 1HG2 THR 9 1.249 -0.798 -10.091 77 2HG2 THR 9 2HG2 THR 9 -0.494 -1.164 -10.090 78 3HG2 THR 9 3HG2 THR 9 0.565 -2.057 -11.167 79 H ILE 10 H ILE 10 -0.266 3.236 -9.545 80 HA ILE 10 HA ILE 10 -2.434 2.622 -8.124 81 HB ILE 10 HB ILE 10 -0.976 4.957 -8.821 82 1HG1 ILE 10 2HG1 ILE 10 -3.212 4.396 -6.908 83 2HG1 ILE 10 3HG1 ILE 10 -1.482 4.209 -6.649 84 1HG2 ILE 10 1HG2 ILE 10 -3.912 5.625 -9.169 85 2HG2 ILE 10 2HG2 ILE 10 -2.516 6.719 -9.246 86 3HG2 ILE 10 3HG2 ILE 10 -2.740 5.497 -10.505 87 1HD1 ILE 10 1HD1 ILE 10 -1.217 6.711 -6.890 88 2HD1 ILE 10 2HD1 ILE 10 -2.993 6.844 -6.928 89 3HD1 ILE 10 3HD1 ILE 10 -2.181 6.211 -5.487 90 H ALA 11 H ALA 11 -4.716 3.155 -8.211 91 HA ALA 11 HA ALA 11 -6.788 3.185 -9.059 92 1HB ALA 11 1HB ALA 11 -5.696 3.836 -11.807 93 2HB ALA 11 2HB ALA 11 -7.338 4.046 -11.191 94 3HB ALA 11 3HB ALA 11 -6.021 5.021 -10.519 95 H CYS 12 H CYS 12 -4.420 1.085 -10.481 96 HA CYS 12 HA CYS 12 -5.802 -0.576 -12.140 97 1HB CYS 12 2HB CYS 12 -3.494 -0.867 -11.786 98 2HB CYS 12 3HB CYS 12 -3.703 -1.162 -10.049 99 HG CYS 12 HG CYS 12 -3.039 -3.422 -11.177 100 H GLU 13 H GLU 13 -5.597 -1.301 -8.569 101 HA GLU 13 HA GLU 13 -7.973 -3.066 -8.888 102 1HB GLU 13 2HB GLU 13 -5.738 -3.763 -7.732 103 2HB GLU 13 3HB GLU 13 -6.321 -2.810 -6.359 104 1HG GLU 13 2HG GLU 13 -7.825 -5.102 -7.730 105 2HG GLU 13 3HG GLU 13 -6.896 -5.246 -6.239 106 H ALA 14 H ALA 14 -8.763 -0.816 -9.460 107 HA ALA 14 HA ALA 14 -10.265 0.804 -9.113 108 1HB ALA 14 1HB ALA 14 -11.387 -0.675 -7.479 109 2HB ALA 14 2HB ALA 14 -10.393 0.009 -6.175 110 3HB ALA 14 3HB ALA 14 -11.520 1.046 -7.060 111 H CYS 15 H CYS 15 -7.671 0.630 -6.725 112 HA CYS 15 HA CYS 15 -6.732 3.313 -6.796 113 1HB CYS 15 2HB CYS 15 -7.785 4.096 -4.643 114 2HB CYS 15 3HB CYS 15 -8.894 4.099 -6.012 115 HG CYS 15 HG CYS 15 -8.539 1.585 -3.880 116 H ALA 16 H ALA 16 -4.869 3.393 -5.563 117 HA ALA 16 HA ALA 16 -3.861 0.960 -4.544 118 1HB ALA 16 1HB ALA 16 -2.914 3.815 -4.121 119 2HB ALA 16 2HB ALA 16 -2.014 2.366 -3.618 120 3HB ALA 16 3HB ALA 16 -2.363 2.625 -5.331 121 H GLU 17 H GLU 17 -5.770 3.451 -2.847 122 HA GLU 17 HA GLU 17 -5.076 2.602 -0.215 123 1HB GLU 17 2HB GLU 17 -7.054 3.713 0.531 124 2HB GLU 17 3HB GLU 17 -6.175 4.742 -0.596 125 1HG GLU 17 2HG GLU 17 -7.920 4.802 -2.077 126 2HG GLU 17 3HG GLU 17 -8.270 3.077 -1.900 127 H ALA 18 H ALA 18 -6.852 0.935 -2.685 128 HA ALA 18 HA ALA 18 -8.431 -0.855 -1.193 129 1HB ALA 18 1HB ALA 18 -6.606 -1.413 -3.579 130 2HB ALA 18 2HB ALA 18 -7.924 -2.449 -2.997 131 3HB ALA 18 3HB ALA 18 -8.288 -0.847 -3.662 132 H VAL 19 H VAL 19 -4.833 -0.686 -1.668 133 HA VAL 19 HA VAL 19 -4.388 -3.087 -0.209 134 HB VAL 19 HB VAL 19 -2.635 -1.724 -1.637 135 1HG1 VAL 19 1HG1 VAL 19 -1.857 -0.812 1.185 136 2HG1 VAL 19 2HG1 VAL 19 -0.979 -0.545 -0.324 137 3HG1 VAL 19 3HG1 VAL 19 -2.518 0.278 -0.062 138 1HG2 VAL 19 1HG2 VAL 19 -2.050 -3.862 -0.936 139 2HG2 VAL 19 2HG2 VAL 19 -0.889 -2.903 0.016 140 3HG2 VAL 19 3HG2 VAL 19 -2.338 -3.546 0.764 141 H THR 20 H THR 20 -4.605 0.350 0.848 142 HA THR 20 HA THR 20 -3.671 0.113 3.475 143 HB THR 20 HB THR 20 -5.954 1.810 2.363 144 HG1 THR 20 1HG THR 20 -3.710 2.081 1.681 145 1HG2 THR 20 1HG2 THR 20 -4.715 2.027 5.110 146 2HG2 THR 20 2HG2 THR 20 -5.803 3.203 4.329 147 3HG2 THR 20 3HG2 THR 20 -6.396 1.607 4.738 148 H LYS 21 H LYS 21 -7.036 -0.429 2.325 149 HA LYS 21 HA LYS 21 -7.970 -1.175 4.937 150 1HB LYS 21 2HB LYS 21 -9.249 -1.866 2.264 151 2HB LYS 21 3HB LYS 21 -10.011 -1.796 3.869 152 1HG LYS 21 2HG LYS 21 -8.933 0.662 3.867 153 2HG LYS 21 3HG LYS 21 -8.989 0.441 2.110 154 1HD LYS 21 2HD LYS 21 -11.417 0.141 2.206 155 2HD LYS 21 3HD LYS 21 -11.387 0.153 3.990 156 1HE LYS 21 2HE LYS 21 -10.494 2.473 3.992 157 2HE LYS 21 3HE LYS 21 -10.443 2.464 2.229 158 1HZ LYS 21 1HZ LYS 21 -12.881 2.321 3.858 159 2HZ LYS 21 2HZ LYS 21 -12.329 3.617 2.999 160 3HZ LYS 21 3HZ LYS 21 -12.821 2.270 2.205 161 H ALA 22 H ALA 22 -6.532 -3.027 2.302 162 HA ALA 22 HA ALA 22 -7.054 -5.623 3.415 163 1HB ALA 22 1HB ALA 22 -4.725 -4.856 1.648 164 2HB ALA 22 2HB ALA 22 -5.377 -6.465 1.969 165 3HB ALA 22 3HB ALA 22 -6.355 -5.279 1.074 166 H VAL 23 H VAL 23 -4.130 -3.562 3.489 167 HA VAL 23 HA VAL 23 -2.462 -5.085 5.123 168 HB VAL 23 HB VAL 23 -2.662 -2.035 4.975 169 1HG1 VAL 23 1HG1 VAL 23 -0.176 -3.665 5.463 170 2HG1 VAL 23 2HG1 VAL 23 -0.386 -1.930 5.673 171 3HG1 VAL 23 3HG1 VAL 23 -1.131 -3.036 6.839 172 1HG2 VAL 23 1HG2 VAL 23 -0.763 -2.268 3.338 173 2HG2 VAL 23 2HG2 VAL 23 -1.032 -4.025 3.320 174 3HG2 VAL 23 3HG2 VAL 23 -2.276 -2.911 2.748 175 H GLN 24 H GLN 24 -4.863 -2.593 5.982 176 HA GLN 24 HA GLN 24 -4.473 -2.576 8.769 177 1HB GLN 24 2HB GLN 24 -6.877 -1.918 7.067 178 2HB GLN 24 3HB GLN 24 -6.799 -1.572 8.791 179 1HG GLN 24 2HG GLN 24 -4.546 -0.569 7.028 180 2HG GLN 24 3HG GLN 24 -6.116 0.228 6.933 181 1HE2 GLN 24 1HE2 GLN 24 -3.337 1.034 7.983 182 2HE2 GLN 24 2HE2 GLN 24 -3.692 1.697 9.571 183 H ASN 25 H ASN 25 -6.048 -5.112 6.836 184 HA ASN 25 HA ASN 25 -7.768 -6.061 8.969 185 1HB ASN 25 2HB ASN 25 -6.386 -7.614 6.736 186 2HB ASN 25 3HB ASN 25 -7.564 -8.280 7.861 187 1HD2 ASN 25 1HD2 ASN 25 -7.331 -7.209 4.807 188 2HD2 ASN 25 2HD2 ASN 25 -8.992 -6.667 4.565 189 H GLU 26 H GLU 26 -4.434 -6.903 7.955 190 HA GLU 26 HA GLU 26 -3.930 -8.625 10.248 191 1HB GLU 26 2HB GLU 26 -2.161 -7.325 8.150 192 2HB GLU 26 3HB GLU 26 -1.565 -8.467 9.356 193 1HG GLU 26 2HG GLU 26 -3.806 -9.209 7.415 194 2HG GLU 26 3HG GLU 26 -2.093 -9.376 7.009 195 H ASP 27 H ASP 27 -2.752 -5.406 9.153 196 HA ASP 27 HA ASP 27 -1.674 -4.938 11.864 197 1HB ASP 27 2HB ASP 27 -0.192 -4.745 9.790 198 2HB ASP 27 3HB ASP 27 -1.058 -3.279 9.383 199 H ALA 28 H ALA 28 -3.871 -4.627 12.613 200 HA ALA 28 HA ALA 28 -5.543 -2.485 11.609 201 1HB ALA 28 1HB ALA 28 -6.399 -4.498 12.749 202 2HB ALA 28 2HB ALA 28 -5.589 -3.982 14.252 203 3HB ALA 28 3HB ALA 28 -6.917 -3.006 13.573 204 H GLN 29 H GLN 29 -2.680 -2.419 13.382 205 HA GLN 29 HA GLN 29 -3.313 0.196 14.657 206 1HB GLN 29 2HB GLN 29 -1.420 -0.272 16.090 207 2HB GLN 29 3HB GLN 29 -2.667 -1.506 16.243 208 1HG GLN 29 2HG GLN 29 -1.338 -3.047 14.838 209 2HG GLN 29 3HG GLN 29 -0.107 -1.786 14.611 210 1HE2 GLN 29 1HE2 GLN 29 0.970 -3.969 15.481 211 2HE2 GLN 29 2HE2 GLN 29 1.267 -3.939 17.217 212 H ALA 30 H ALA 30 -2.295 -0.798 11.712 213 HA ALA 30 HA ALA 30 0.148 0.786 11.499 214 1HB ALA 30 1HB ALA 30 -0.223 0.408 9.032 215 2HB ALA 30 2HB ALA 30 -0.180 -1.078 9.972 216 3HB ALA 30 3HB ALA 30 -1.734 -0.431 9.426 217 H THR 31 H THR 31 0.327 2.696 10.074 218 HA THR 31 HA THR 31 -2.219 4.173 9.557 219 HB THR 31 HB THR 31 0.380 5.214 10.735 220 HG1 THR 31 1HG THR 31 -1.680 4.235 11.888 221 1HG2 THR 31 1HG2 THR 31 -2.077 6.759 9.773 222 2HG2 THR 31 2HG2 THR 31 -0.775 7.435 10.773 223 3HG2 THR 31 3HG2 THR 31 -0.423 6.891 9.126 224 H VAL 32 H VAL 32 -2.250 5.220 7.583 225 HA VAL 32 HA VAL 32 0.012 4.594 5.759 226 HB VAL 32 HB VAL 32 -1.528 4.224 4.003 227 1HG1 VAL 32 1HG1 VAL 32 -2.445 2.141 4.676 228 2HG1 VAL 32 2HG1 VAL 32 -1.046 2.372 5.729 229 3HG1 VAL 32 3HG1 VAL 32 -2.669 2.669 6.358 230 1HG2 VAL 32 1HG2 VAL 32 -3.922 4.314 4.205 231 2HG2 VAL 32 2HG2 VAL 32 -3.843 4.747 5.925 232 3HG2 VAL 32 3HG2 VAL 32 -3.313 5.881 4.663 233 H GLN 33 H GLN 33 0.417 6.113 4.111 234 HA GLN 33 HA GLN 33 -1.169 8.582 3.894 235 1HB GLN 33 2HB GLN 33 1.714 8.363 4.776 236 2HB GLN 33 3HB GLN 33 1.312 9.655 3.639 237 1HG GLN 33 2HG GLN 33 -0.096 9.252 6.309 238 2HG GLN 33 3HG GLN 33 1.275 10.333 6.036 239 1HE2 GLN 33 1HE2 GLN 33 -0.719 11.720 6.994 240 2HE2 GLN 33 2HE2 GLN 33 -1.588 12.572 5.729 241 H VAL 34 H VAL 34 -1.930 7.796 1.932 242 HA VAL 34 HA VAL 34 0.082 7.297 -0.205 243 HB VAL 34 HB VAL 34 -1.304 5.353 0.108 244 1HG1 VAL 34 1HG1 VAL 34 -3.744 7.073 -0.411 245 2HG1 VAL 34 2HG1 VAL 34 -3.690 5.310 -0.280 246 3HG1 VAL 34 3HG1 VAL 34 -3.316 6.307 1.132 247 1HG2 VAL 34 1HG2 VAL 34 -2.183 6.828 -2.407 248 2HG2 VAL 34 2HG2 VAL 34 -0.583 6.098 -2.187 249 3HG2 VAL 34 3HG2 VAL 34 -2.030 5.077 -2.168 250 H ASP 35 H ASP 35 0.247 8.785 -1.783 251 HA ASP 35 HA ASP 35 -1.555 11.152 -1.595 252 1HB ASP 35 2HB ASP 35 1.175 10.669 -2.825 253 2HB ASP 35 3HB ASP 35 0.226 12.140 -3.061 254 H LEU 36 H LEU 36 -3.390 10.370 -2.669 255 HA LEU 36 HA LEU 36 -3.302 9.205 -5.346 256 1HB LEU 36 2HB LEU 36 -5.622 10.439 -3.796 257 2HB LEU 36 3HB LEU 36 -5.714 9.671 -5.377 258 HG LEU 36 HG LEU 36 -4.537 7.632 -4.046 259 1HD1 LEU 36 1HD1 LEU 36 -6.339 9.007 -1.990 260 2HD1 LEU 36 2HD1 LEU 36 -5.633 7.389 -1.841 261 3HD1 LEU 36 3HD1 LEU 36 -4.581 8.817 -1.847 262 1HD2 LEU 36 1HD2 LEU 36 -7.521 8.261 -4.100 263 2HD2 LEU 36 2HD2 LEU 36 -6.588 7.492 -5.402 264 3HD2 LEU 36 3HD2 LEU 36 -6.805 6.655 -3.856 265 H THR 37 H THR 37 -1.697 10.933 -5.818 266 HA THR 37 HA THR 37 -2.914 13.253 -7.234 267 HB THR 37 HB THR 37 -0.502 13.434 -5.358 268 HG1 THR 37 1HG THR 37 -1.879 14.469 -3.954 269 1HG2 THR 37 1HG2 THR 37 -2.146 15.575 -6.784 270 2HG2 THR 37 2HG2 THR 37 -0.800 15.874 -5.664 271 3HG2 THR 37 3HG2 THR 37 -0.497 15.084 -7.222 272 H SER 38 H SER 38 0.111 11.452 -6.450 273 HA SER 38 HA SER 38 0.831 11.428 -9.338 274 1HB SER 38 2HB SER 38 2.675 11.728 -6.920 275 2HB SER 38 3HB SER 38 3.203 11.417 -8.595 276 HG SER 38 HG SER 38 1.525 13.588 -7.933 277 H LYS 39 H LYS 39 2.787 9.647 -7.085 278 HA LYS 39 HA LYS 39 1.168 7.219 -7.252 279 1HB LYS 39 2HB LYS 39 2.763 6.069 -8.752 280 2HB LYS 39 3HB LYS 39 1.909 7.397 -9.531 281 1HG LYS 39 2HG LYS 39 4.040 8.829 -8.998 282 2HG LYS 39 3HG LYS 39 4.801 7.280 -8.616 283 1HD LYS 39 2HD LYS 39 3.458 6.886 -11.088 284 2HD LYS 39 3HD LYS 39 4.077 8.514 -11.215 285 1HE LYS 39 2HE LYS 39 5.737 6.025 -10.471 286 2HE LYS 39 3HE LYS 39 5.587 6.657 -12.114 287 1HZ LYS 39 1HZ LYS 39 6.631 8.680 -11.398 288 2HZ LYS 39 2HZ LYS 39 6.761 8.128 -9.849 289 3HZ LYS 39 3HZ LYS 39 7.590 7.389 -11.057 290 H LYS 40 H LYS 40 2.555 8.788 -5.079 291 HA LYS 40 HA LYS 40 4.630 6.788 -4.307 292 1HB LYS 40 2HB LYS 40 5.740 8.349 -3.044 293 2HB LYS 40 3HB LYS 40 5.378 9.156 -4.561 294 1HG LYS 40 2HG LYS 40 5.002 10.752 -2.898 295 2HG LYS 40 3HG LYS 40 3.385 10.250 -3.391 296 1HD LYS 40 2HD LYS 40 2.894 9.402 -1.353 297 2HD LYS 40 3HD LYS 40 4.465 8.607 -1.153 298 1HE LYS 40 2HE LYS 40 5.501 10.556 -0.283 299 2HE LYS 40 3HE LYS 40 4.139 11.591 -0.771 300 1HZ LYS 40 1HZ LYS 40 4.020 11.081 1.551 301 2HZ LYS 40 2HZ LYS 40 2.740 10.505 0.699 302 3HZ LYS 40 3HZ LYS 40 3.934 9.455 1.258 303 H VAL 41 H VAL 41 4.472 5.890 -2.194 304 HA VAL 41 HA VAL 41 2.061 6.554 -0.640 305 HB VAL 41 HB VAL 41 1.303 4.722 -2.055 306 1HG1 VAL 41 1HG1 VAL 41 3.485 3.698 -2.664 307 2HG1 VAL 41 2HG1 VAL 41 3.667 3.156 -0.978 308 3HG1 VAL 41 3HG1 VAL 41 2.372 2.496 -1.992 309 1HG2 VAL 41 1HG2 VAL 41 1.982 3.527 0.635 310 2HG2 VAL 41 2HG2 VAL 41 0.766 4.795 0.470 311 3HG2 VAL 41 3HG2 VAL 41 0.536 3.228 -0.347 312 H THR 42 H THR 42 2.304 6.228 1.576 313 HA THR 42 HA THR 42 4.984 5.378 2.503 314 HB THR 42 HB THR 42 3.451 7.839 3.423 315 HG1 THR 42 1HG THR 42 5.423 7.485 1.463 316 1HG2 THR 42 1HG2 THR 42 5.004 6.956 5.097 317 2HG2 THR 42 2HG2 THR 42 6.307 6.858 3.898 318 3HG2 THR 42 3HG2 THR 42 5.675 8.440 4.403 319 H ILE 43 H ILE 43 4.752 3.800 4.013 320 HA ILE 43 HA ILE 43 2.184 3.688 5.590 321 HB ILE 43 HB ILE 43 3.888 1.508 4.447 322 1HG1 ILE 43 2HG1 ILE 43 1.601 0.518 4.032 323 2HG1 ILE 43 3HG1 ILE 43 0.863 1.938 4.740 324 1HG2 ILE 43 1HG2 ILE 43 3.778 0.864 6.800 325 2HG2 ILE 43 2HG2 ILE 43 2.038 1.257 6.863 326 3HG2 ILE 43 3HG2 ILE 43 2.617 -0.111 5.905 327 1HD1 ILE 43 1HD1 ILE 43 0.940 1.802 2.202 328 2HD1 ILE 43 2HD1 ILE 43 1.517 3.309 2.919 329 3HD1 ILE 43 3HD1 ILE 43 2.691 2.097 2.326 330 H THR 44 H THR 44 2.362 4.147 7.624 331 HA THR 44 HA THR 44 4.975 3.932 9.037 332 HB THR 44 HB THR 44 2.531 5.607 9.695 333 HG1 THR 44 1HG THR 44 3.811 6.227 7.843 334 1HG2 THR 44 1HG2 THR 44 4.014 6.683 11.330 335 2HG2 THR 44 2HG2 THR 44 3.886 4.957 11.708 336 3HG2 THR 44 3HG2 THR 44 5.341 5.589 10.902 337 H SER 45 H SER 45 4.624 1.668 8.922 338 HA SER 45 HA SER 45 3.414 0.867 11.472 339 1HB SER 45 2HB SER 45 2.948 -1.371 10.612 340 2HB SER 45 3HB SER 45 1.968 -0.207 9.728 341 HG SER 45 HG SER 45 3.094 -1.823 8.435 342 H ALA 46 H ALA 46 4.672 -1.135 12.178 343 HA ALA 46 HA ALA 46 7.534 -0.870 11.885 344 1HB ALA 46 1HB ALA 46 7.561 -3.052 13.068 345 2HB ALA 46 2HB ALA 46 6.515 -1.874 13.884 346 3HB ALA 46 3HB ALA 46 5.799 -3.170 12.904 347 H LEU 47 H LEU 47 5.032 -3.015 10.547 348 HA LEU 47 HA LEU 47 6.978 -4.399 8.783 349 1HB LEU 47 2HB LEU 47 5.154 -6.155 8.680 350 2HB LEU 47 3HB LEU 47 6.107 -5.988 10.140 351 HG LEU 47 HG LEU 47 4.135 -4.673 11.181 352 1HD1 LEU 47 1HD1 LEU 47 2.706 -4.244 9.254 353 2HD1 LEU 47 2HD1 LEU 47 2.744 -5.975 8.806 354 3HD1 LEU 47 3HD1 LEU 47 1.915 -5.441 10.270 355 1HD2 LEU 47 1HD2 LEU 47 3.014 -6.702 11.820 356 2HD2 LEU 47 2HD2 LEU 47 3.786 -7.594 10.489 357 3HD2 LEU 47 3HD2 LEU 47 4.772 -6.942 11.824 358 H GLY 48 H GLY 48 6.877 -2.331 7.730 359 1HA GLY 48 2HA GLY 48 4.424 -1.649 6.211 360 2HA GLY 48 3HA GLY 48 5.968 -0.782 6.167 361 H GLU 49 H GLU 49 7.788 -1.956 5.209 362 HA GLU 49 HA GLU 49 7.297 -2.322 2.526 363 1HB GLU 49 2HB GLU 49 9.462 -1.740 3.731 364 2HB GLU 49 3HB GLU 49 9.713 -3.459 4.028 365 1HG GLU 49 2HG GLU 49 9.675 -3.846 1.568 366 2HG GLU 49 3HG GLU 49 9.423 -2.106 1.322 367 H GLU 50 H GLU 50 8.144 -4.873 4.851 368 HA GLU 50 HA GLU 50 8.145 -7.019 3.058 369 1HB GLU 50 2HB GLU 50 8.941 -6.596 5.648 370 2HB GLU 50 3HB GLU 50 7.466 -7.518 5.958 371 1HG GLU 50 2HG GLU 50 8.362 -9.321 4.483 372 2HG GLU 50 3HG GLU 50 9.797 -8.316 4.170 373 H GLN 51 H GLN 51 5.606 -5.900 5.344 374 HA GLN 51 HA GLN 51 3.701 -7.870 4.726 375 1HB GLN 51 2HB GLN 51 3.772 -6.162 6.676 376 2HB GLN 51 3HB GLN 51 3.074 -5.002 5.535 377 1HG GLN 51 2HG GLN 51 1.389 -6.997 5.035 378 2HG GLN 51 3HG GLN 51 1.974 -7.618 6.586 379 1HE2 GLN 51 1HE2 GLN 51 -0.747 -7.085 6.263 380 2HE2 GLN 51 2HE2 GLN 51 -1.183 -5.615 7.119 381 H LEU 52 H LEU 52 4.065 -4.473 3.549 382 HA LEU 52 HA LEU 52 2.003 -4.402 1.707 383 1HB LEU 52 2HB LEU 52 4.744 -3.113 1.754 384 2HB LEU 52 3HB LEU 52 3.579 -2.712 0.500 385 HG LEU 52 HG LEU 52 2.778 -2.569 3.408 386 1HD1 LEU 52 1HD1 LEU 52 3.634 -0.499 3.717 387 2HD1 LEU 52 2HD1 LEU 52 4.936 -1.178 2.758 388 3HD1 LEU 52 3HD1 LEU 52 3.762 -0.102 1.983 389 1HD2 LEU 52 1HD2 LEU 52 1.101 -1.003 2.572 390 2HD2 LEU 52 2HD2 LEU 52 1.834 -0.995 0.963 391 3HD2 LEU 52 3HD2 LEU 52 1.027 -2.448 1.572 392 H ARG 53 H ARG 53 5.363 -5.558 1.150 393 HA ARG 53 HA ARG 53 5.260 -6.202 -1.515 394 1HB ARG 53 2HB ARG 53 6.999 -6.785 0.516 395 2HB ARG 53 3HB ARG 53 6.274 -8.369 0.318 396 1HG ARG 53 2HG ARG 53 8.068 -8.493 -1.114 397 2HG ARG 53 3HG ARG 53 6.791 -8.013 -2.246 398 1HD ARG 53 2HD ARG 53 7.566 -5.581 -1.910 399 2HD ARG 53 3HD ARG 53 8.807 -6.187 -0.834 400 HE ARG 53 HE ARG 53 10.062 -7.026 -2.537 401 1HH1 ARG 53 2HH2 ARG 53 7.013 -5.826 -3.857 402 2HH1 ARG 53 1HH2 ARG 53 7.574 -5.717 -5.492 403 1HH2 ARG 53 2HH1 ARG 53 10.783 -7.076 -4.719 404 2HH2 ARG 53 1HH1 ARG 53 9.735 -6.566 -6.004 405 H THR 54 H THR 54 4.015 -8.229 1.148 406 HA THR 54 HA THR 54 2.961 -10.267 -0.620 407 HB THR 54 HB THR 54 2.466 -9.836 2.358 408 HG1 THR 54 1HG THR 54 4.666 -9.988 1.979 409 1HG2 THR 54 1HG2 THR 54 2.160 -12.304 2.339 410 2HG2 THR 54 2HG2 THR 54 0.931 -11.489 1.355 411 3HG2 THR 54 3HG2 THR 54 2.301 -12.307 0.570 412 H ALA 55 H ALA 55 1.463 -7.771 1.478 413 HA ALA 55 HA ALA 55 -1.232 -8.402 0.957 414 1HB ALA 55 1HB ALA 55 -1.705 -6.144 1.831 415 2HB ALA 55 2HB ALA 55 -0.492 -6.977 2.823 416 3HB ALA 55 3HB ALA 55 0.012 -5.713 1.682 417 H ILE 56 H ILE 56 0.794 -5.817 -0.507 418 HA ILE 56 HA ILE 56 -0.974 -5.022 -2.561 419 HB ILE 56 HB ILE 56 2.066 -5.163 -2.664 420 1HG1 ILE 56 2HG1 ILE 56 0.210 -2.800 -2.062 421 2HG1 ILE 56 3HG1 ILE 56 1.029 -3.729 -0.800 422 1HG2 ILE 56 1HG2 ILE 56 1.057 -4.986 -4.923 423 2HG2 ILE 56 2HG2 ILE 56 0.084 -3.609 -4.354 424 3HG2 ILE 56 3HG2 ILE 56 1.859 -3.508 -4.457 425 1HD1 ILE 56 1HD1 ILE 56 2.372 -2.045 -2.924 426 2HD1 ILE 56 2HD1 ILE 56 2.296 -1.745 -1.198 427 3HD1 ILE 56 3HD1 ILE 56 3.233 -3.128 -1.815 428 H ALA 57 H ALA 57 1.491 -7.712 -2.646 429 HA ALA 57 HA ALA 57 0.954 -8.460 -5.293 430 1HB ALA 57 1HB ALA 57 1.782 -10.273 -2.998 431 2HB ALA 57 2HB ALA 57 1.890 -10.643 -4.725 432 3HB ALA 57 3HB ALA 57 2.858 -9.326 -4.050 433 H SER 58 H SER 58 -1.080 -9.033 -2.451 434 HA SER 58 HA SER 58 -2.703 -11.114 -3.521 435 1HB SER 58 2HB SER 58 -2.728 -10.120 -1.147 436 2HB SER 58 3HB SER 58 -3.731 -8.814 -1.813 437 HG SER 58 HG SER 58 -4.346 -11.582 -1.983 438 H ALA 59 H ALA 59 -2.726 -7.582 -4.014 439 HA ALA 59 HA ALA 59 -5.109 -7.654 -5.770 440 1HB ALA 59 1HB ALA 59 -3.263 -5.458 -4.771 441 2HB ALA 59 2HB ALA 59 -4.570 -5.187 -5.938 442 3HB ALA 59 3HB ALA 59 -4.947 -5.765 -4.302 443 H GLY 60 H GLY 60 -1.588 -7.227 -5.931 444 1HA GLY 60 2HA GLY 60 -0.164 -7.793 -7.680 445 2HA GLY 60 3HA GLY 60 -1.538 -8.008 -8.769 446 H HIS 61 H HIS 61 0.129 -5.418 -6.898 447 HA HIS 61 HA HIS 61 -0.012 -3.661 -9.321 448 1HB HIS 61 2HB HIS 61 0.325 -2.851 -6.433 449 2HB HIS 61 3HB HIS 61 0.451 -1.768 -7.813 450 HD1 HIS 61 1HD HIS 61 -1.808 -0.573 -8.440 451 HD2 HIS 61 2HD HIS 61 -2.093 -3.861 -5.830 452 HE1 HIS 61 1HE HIS 61 -4.104 -0.450 -7.349 453 H GLU 62 H GLU 62 1.845 -2.812 -10.042 454 HA GLU 62 HA GLU 62 4.323 -4.210 -9.632 455 1HB GLU 62 2HB GLU 62 3.552 -1.842 -11.418 456 2HB GLU 62 3HB GLU 62 4.976 -2.875 -11.601 457 1HG GLU 62 2HG GLU 62 2.077 -3.840 -11.894 458 2HG GLU 62 3HG GLU 62 3.187 -3.450 -13.207 459 H VAL 63 H VAL 63 3.964 -3.147 -7.299 460 HA VAL 63 HA VAL 63 4.821 -0.370 -7.121 461 HB VAL 63 HB VAL 63 4.338 -2.369 -4.888 462 1HG1 VAL 63 1HG1 VAL 63 5.658 -0.344 -4.182 463 2HG1 VAL 63 2HG1 VAL 63 4.342 0.679 -4.798 464 3HG1 VAL 63 3HG1 VAL 63 4.055 -0.423 -3.449 465 1HG2 VAL 63 1HG2 VAL 63 2.102 -1.035 -4.841 466 2HG2 VAL 63 2HG2 VAL 63 2.576 -0.416 -6.425 467 3HG2 VAL 63 3HG2 VAL 63 2.358 -2.147 -6.196 468 H GLU 64 H GLU 64 6.712 0.484 -6.661 469 HA GLU 64 HA GLU 64 9.157 -1.180 -6.376 470 1HB GLU 64 2HB GLU 64 8.654 1.770 -6.961 471 2HB GLU 64 3HB GLU 64 10.250 1.027 -6.862 472 1HG GLU 64 2HG GLU 64 9.933 -0.187 -8.884 473 2HG GLU 64 3HG GLU 64 8.179 0.041 -8.873 Start of MODEL 9 1 1H MET 1 H1 MET 1 12.257 3.751 8.343 2 2H MET 1 H2 MET 1 12.494 2.936 9.780 3 3H MET 1 H3 MET 1 11.397 2.396 8.659 4 HA MET 1 HA MET 1 10.080 3.444 10.209 5 1HB MET 1 2HB MET 1 10.593 5.625 11.149 6 2HB MET 1 3HB MET 1 11.958 4.534 11.381 7 1HG MET 1 2HG MET 1 12.864 5.681 9.143 8 2HG MET 1 3HG MET 1 11.725 6.953 9.598 9 1HE MET 1 1HE MET 1 15.249 8.415 10.514 10 2HE MET 1 2HE MET 1 14.781 7.435 9.104 11 3HE MET 1 3HE MET 1 13.706 8.735 9.687 12 H THR 2 H THR 2 8.269 4.626 9.426 13 HA THR 2 HA THR 2 6.871 5.347 7.774 14 HB THR 2 HB THR 2 7.268 7.660 7.216 15 HG1 THR 2 1HG THR 2 9.590 7.291 6.815 16 1HG2 THR 2 1HG2 THR 2 7.519 8.584 9.433 17 2HG2 THR 2 2HG2 THR 2 6.638 7.050 9.564 18 3HG2 THR 2 3HG2 THR 2 8.354 7.137 10.019 19 H ILE 3 H ILE 3 7.129 3.602 6.196 20 HA ILE 3 HA ILE 3 9.437 3.795 4.398 21 HB ILE 3 HB ILE 3 7.219 1.727 4.415 22 1HG1 ILE 3 2HG1 ILE 3 8.085 1.753 6.689 23 2HG1 ILE 3 3HG1 ILE 3 8.597 0.322 5.820 24 1HG2 ILE 3 1HG2 ILE 3 8.962 0.317 3.387 25 2HG2 ILE 3 2HG2 ILE 3 8.659 1.767 2.429 26 3HG2 ILE 3 3HG2 ILE 3 10.106 1.675 3.433 27 1HD1 ILE 3 1HD1 ILE 3 10.362 2.756 6.301 28 2HD1 ILE 3 2HD1 ILE 3 10.393 1.232 7.215 29 3HD1 ILE 3 3HD1 ILE 3 10.859 1.242 5.512 30 H GLN 4 H GLN 4 9.366 4.570 2.368 31 HA GLN 4 HA GLN 4 6.776 5.276 1.113 32 1HB GLN 4 2HB GLN 4 9.601 6.290 0.843 33 2HB GLN 4 3HB GLN 4 8.435 6.513 -0.477 34 1HG GLN 4 2HG GLN 4 6.874 7.643 0.903 35 2HG GLN 4 3HG GLN 4 7.781 7.290 2.382 36 1HE2 GLN 4 1HE2 GLN 4 6.993 9.866 1.860 37 2HE2 GLN 4 2HE2 GLN 4 8.416 10.833 1.474 38 H LEU 5 H LEU 5 5.995 3.875 -0.303 39 HA LEU 5 HA LEU 5 7.788 2.167 -1.996 40 1HB LEU 5 2HB LEU 5 5.128 1.801 -0.658 41 2HB LEU 5 3HB LEU 5 5.271 1.175 -2.300 42 HG LEU 5 HG LEU 5 7.061 -0.296 -1.666 43 1HD1 LEU 5 1HD1 LEU 5 6.899 0.989 1.097 44 2HD1 LEU 5 2HD1 LEU 5 7.792 -0.502 0.728 45 3HD1 LEU 5 3HD1 LEU 5 8.301 1.023 -0.004 46 1HD2 LEU 5 1HD2 LEU 5 4.693 -0.956 -1.194 47 2HD2 LEU 5 2HD2 LEU 5 5.812 -1.706 -0.040 48 3HD2 LEU 5 3HD2 LEU 5 4.851 -0.287 0.439 49 H THR 6 H THR 6 7.185 2.025 -4.244 50 HA THR 6 HA THR 6 5.875 4.529 -5.264 51 HB THR 6 HB THR 6 8.178 2.889 -6.365 52 HG1 THR 6 1HG THR 6 9.336 4.238 -5.260 53 1HG2 THR 6 1HG2 THR 6 6.891 5.488 -7.322 54 2HG2 THR 6 2HG2 THR 6 8.411 4.809 -7.948 55 3HG2 THR 6 3HG2 THR 6 6.890 3.935 -8.200 56 H VAL 7 H VAL 7 3.950 4.089 -6.087 57 HA VAL 7 HA VAL 7 3.350 1.438 -7.318 58 HB VAL 7 HB VAL 7 2.358 1.672 -5.202 59 1HG1 VAL 7 1HG1 VAL 7 1.076 4.289 -6.043 60 2HG1 VAL 7 2HG1 VAL 7 0.761 3.388 -4.552 61 3HG1 VAL 7 3HG1 VAL 7 2.349 4.092 -4.848 62 1HG2 VAL 7 1HG2 VAL 7 0.996 0.560 -6.911 63 2HG2 VAL 7 2HG2 VAL 7 0.028 1.319 -5.647 64 3HG2 VAL 7 3HG2 VAL 7 0.155 2.079 -7.237 65 HA PRO 8 HA PRO 8 2.910 4.627 -10.659 66 1HB PRO 8 2HB PRO 8 3.589 3.081 -12.787 67 2HB PRO 8 3HB PRO 8 4.789 3.828 -11.696 68 1HG PRO 8 2HG PRO 8 3.746 0.989 -11.609 69 2HG PRO 8 3HG PRO 8 5.444 1.537 -11.534 70 1HD PRO 8 2HD PRO 8 4.027 0.918 -9.312 71 2HD PRO 8 3HD PRO 8 5.206 2.251 -9.300 72 H THR 9 H THR 9 1.570 1.460 -10.179 73 HA THR 9 HA THR 9 -0.610 1.753 -12.081 74 HB THR 9 HB THR 9 0.400 -0.354 -11.885 75 HG1 THR 9 1HG THR 9 -2.013 -0.400 -11.732 76 1HG2 THR 9 1HG2 THR 9 1.630 -0.381 -9.870 77 2HG2 THR 9 2HG2 THR 9 0.158 -0.066 -8.900 78 3HG2 THR 9 3HG2 THR 9 0.396 -1.609 -9.732 79 H ILE 10 H ILE 10 -0.215 3.339 -9.103 80 HA ILE 10 HA ILE 10 -2.599 3.027 -7.861 81 HB ILE 10 HB ILE 10 -0.627 5.161 -8.096 82 1HG1 ILE 10 2HG1 ILE 10 -2.773 4.421 -6.098 83 2HG1 ILE 10 3HG1 ILE 10 -1.148 3.760 -6.145 84 1HG2 ILE 10 1HG2 ILE 10 -2.363 6.556 -9.152 85 2HG2 ILE 10 2HG2 ILE 10 -3.481 6.198 -7.806 86 3HG2 ILE 10 3HG2 ILE 10 -2.001 7.112 -7.527 87 1HD1 ILE 10 1HD1 ILE 10 -1.080 5.347 -4.420 88 2HD1 ILE 10 2HD1 ILE 10 -0.315 6.191 -5.776 89 3HD1 ILE 10 3HD1 ILE 10 -1.999 6.559 -5.328 90 H ALA 11 H ALA 11 -4.672 3.583 -8.021 91 HA ALA 11 HA ALA 11 -6.675 3.905 -8.974 92 1HB ALA 11 1HB ALA 11 -5.302 6.072 -10.612 93 2HB ALA 11 2HB ALA 11 -7.033 5.928 -10.262 94 3HB ALA 11 3HB ALA 11 -5.893 6.258 -8.946 95 H CYS 12 H CYS 12 -4.445 2.187 -10.532 96 HA CYS 12 HA CYS 12 -6.208 1.710 -12.901 97 1HB CYS 12 2HB CYS 12 -4.039 2.916 -13.407 98 2HB CYS 12 3HB CYS 12 -3.175 1.470 -12.843 99 HG CYS 12 HG CYS 12 -3.309 1.592 -15.469 100 H GLU 13 H GLU 13 -6.872 0.527 -10.704 101 HA GLU 13 HA GLU 13 -6.972 -2.093 -11.466 102 1HB GLU 13 2HB GLU 13 -4.559 -1.899 -10.148 103 2HB GLU 13 3HB GLU 13 -5.593 -2.400 -8.816 104 1HG GLU 13 2HG GLU 13 -5.257 -3.782 -11.492 105 2HG GLU 13 3HG GLU 13 -4.626 -4.313 -9.927 106 H ALA 14 H ALA 14 -6.894 -1.337 -7.967 107 HA ALA 14 HA ALA 14 -9.831 -0.770 -7.997 108 1HB ALA 14 1HB ALA 14 -8.355 -2.698 -6.160 109 2HB ALA 14 2HB ALA 14 -10.091 -2.318 -6.123 110 3HB ALA 14 3HB ALA 14 -9.402 -3.170 -7.517 111 H CYS 15 H CYS 15 -7.334 0.888 -7.661 112 HA CYS 15 HA CYS 15 -6.716 2.724 -6.552 113 1HB CYS 15 2HB CYS 15 -9.119 3.269 -6.182 114 2HB CYS 15 3HB CYS 15 -9.056 2.381 -4.637 115 HG CYS 15 HG CYS 15 -8.866 4.760 -3.923 116 H ALA 16 H ALA 16 -5.056 3.063 -5.146 117 HA ALA 16 HA ALA 16 -3.938 0.920 -3.727 118 1HB ALA 16 1HB ALA 16 -2.593 2.764 -4.461 119 2HB ALA 16 2HB ALA 16 -3.500 3.913 -3.441 120 3HB ALA 16 3HB ALA 16 -2.470 2.663 -2.699 121 H GLU 17 H GLU 17 -6.330 3.329 -2.575 122 HA GLU 17 HA GLU 17 -5.971 2.870 0.164 123 1HB GLU 17 2HB GLU 17 -8.036 3.882 0.532 124 2HB GLU 17 3HB GLU 17 -7.317 4.658 -0.868 125 1HG GLU 17 2HG GLU 17 -9.439 4.442 -1.674 126 2HG GLU 17 3HG GLU 17 -8.868 2.839 -2.173 127 H ALA 18 H ALA 18 -7.447 0.760 -2.275 128 HA ALA 18 HA ALA 18 -8.731 -1.119 -0.620 129 1HB ALA 18 1HB ALA 18 -8.296 -2.708 -2.424 130 2HB ALA 18 2HB ALA 18 -8.753 -1.131 -3.103 131 3HB ALA 18 3HB ALA 18 -7.053 -1.645 -3.113 132 H VAL 19 H VAL 19 -5.207 -0.737 -1.388 133 HA VAL 19 HA VAL 19 -4.600 -3.182 0.030 134 HB VAL 19 HB VAL 19 -3.200 -2.004 -1.861 135 1HG1 VAL 19 1HG1 VAL 19 -1.677 -1.167 0.665 136 2HG1 VAL 19 2HG1 VAL 19 -1.144 -1.013 -1.013 137 3HG1 VAL 19 3HG1 VAL 19 -2.484 -0.026 -0.430 138 1HG2 VAL 19 1HG2 VAL 19 -2.952 -4.291 -0.885 139 2HG2 VAL 19 2HG2 VAL 19 -1.399 -3.516 -1.131 140 3HG2 VAL 19 3HG2 VAL 19 -2.074 -3.593 0.496 141 H THR 20 H THR 20 -4.693 0.267 0.826 142 HA THR 20 HA THR 20 -3.605 0.155 3.485 143 HB THR 20 HB THR 20 -5.716 1.870 2.157 144 HG1 THR 20 1HG THR 20 -3.467 2.179 1.883 145 1HG2 THR 20 1HG2 THR 20 -6.666 1.617 4.372 146 2HG2 THR 20 2HG2 THR 20 -5.112 2.037 5.109 147 3HG2 THR 20 3HG2 THR 20 -6.010 3.213 4.114 148 H LYS 21 H LYS 21 -7.000 -0.385 2.348 149 HA LYS 21 HA LYS 21 -8.011 -1.114 4.885 150 1HB LYS 21 2HB LYS 21 -8.971 -2.186 2.209 151 2HB LYS 21 3HB LYS 21 -9.880 -2.105 3.714 152 1HG LYS 21 2HG LYS 21 -8.913 0.575 3.028 153 2HG LYS 21 3HG LYS 21 -9.655 -0.170 1.621 154 1HD LYS 21 2HD LYS 21 -11.674 -0.713 3.092 155 2HD LYS 21 3HD LYS 21 -10.911 0.288 4.357 156 1HE LYS 21 2HE LYS 21 -10.797 2.186 2.656 157 2HE LYS 21 3HE LYS 21 -11.673 1.146 1.511 158 1HZ LYS 21 1HZ LYS 21 -12.732 2.141 4.052 159 2HZ LYS 21 2HZ LYS 21 -13.097 2.661 2.531 160 3HZ LYS 21 3HZ LYS 21 -13.522 1.141 2.994 161 H ALA 22 H ALA 22 -6.638 -3.172 2.285 162 HA ALA 22 HA ALA 22 -7.104 -5.663 3.556 163 1HB ALA 22 1HB ALA 22 -6.475 -5.426 1.184 164 2HB ALA 22 2HB ALA 22 -4.845 -4.898 1.673 165 3HB ALA 22 3HB ALA 22 -5.393 -6.543 2.052 166 H VAL 23 H VAL 23 -4.149 -3.651 3.523 167 HA VAL 23 HA VAL 23 -2.528 -5.352 5.111 168 HB VAL 23 HB VAL 23 -2.448 -2.372 4.533 169 1HG1 VAL 23 1HG1 VAL 23 -1.030 -2.768 6.503 170 2HG1 VAL 23 2HG1 VAL 23 -0.265 -4.161 5.701 171 3HG1 VAL 23 3HG1 VAL 23 -0.010 -2.525 5.073 172 1HG2 VAL 23 1HG2 VAL 23 -2.191 -4.306 2.675 173 2HG2 VAL 23 2HG2 VAL 23 -1.168 -2.868 2.689 174 3HG2 VAL 23 3HG2 VAL 23 -0.561 -4.405 3.336 175 H GLN 24 H GLN 24 -4.671 -2.580 5.957 176 HA GLN 24 HA GLN 24 -4.166 -2.542 8.741 177 1HB GLN 24 2HB GLN 24 -6.594 -1.854 7.076 178 2HB GLN 24 3HB GLN 24 -6.534 -1.561 8.805 179 1HG GLN 24 2HG GLN 24 -4.257 -0.519 7.093 180 2HG GLN 24 3HG GLN 24 -5.822 0.277 6.991 181 1HE2 GLN 24 1HE2 GLN 24 -3.206 1.311 8.037 182 2HE2 GLN 24 2HE2 GLN 24 -3.520 1.783 9.704 183 H ASN 25 H ASN 25 -5.730 -5.143 6.917 184 HA ASN 25 HA ASN 25 -7.326 -6.128 9.123 185 1HB ASN 25 2HB ASN 25 -5.894 -7.693 6.931 186 2HB ASN 25 3HB ASN 25 -7.039 -8.351 8.087 187 1HD2 ASN 25 1HD2 ASN 25 -7.020 -7.856 5.007 188 2HD2 ASN 25 2HD2 ASN 25 -8.663 -7.269 4.753 189 H GLU 26 H GLU 26 -3.973 -6.876 8.017 190 HA GLU 26 HA GLU 26 -3.341 -8.326 10.472 191 1HB GLU 26 2HB GLU 26 -1.592 -7.333 8.173 192 2HB GLU 26 3HB GLU 26 -1.059 -8.374 9.503 193 1HG GLU 26 2HG GLU 26 -3.255 -9.111 7.504 194 2HG GLU 26 3HG GLU 26 -1.568 -9.632 7.425 195 H ASP 27 H ASP 27 -2.062 -5.319 8.970 196 HA ASP 27 HA ASP 27 -0.725 -4.693 11.499 197 1HB ASP 27 2HB ASP 27 0.294 -4.564 9.100 198 2HB ASP 27 3HB ASP 27 -0.556 -3.034 8.947 199 H ALA 28 H ALA 28 -3.070 -4.571 12.302 200 HA ALA 28 HA ALA 28 -4.835 -2.484 11.451 201 1HB ALA 28 1HB ALA 28 -5.578 -4.574 12.562 202 2HB ALA 28 2HB ALA 28 -4.784 -4.058 14.067 203 3HB ALA 28 3HB ALA 28 -6.162 -3.137 13.424 204 H GLN 29 H GLN 29 -2.156 -2.472 13.561 205 HA GLN 29 HA GLN 29 -2.905 -0.004 14.986 206 1HB GLN 29 2HB GLN 29 -0.708 -0.418 16.080 207 2HB GLN 29 3HB GLN 29 -1.899 -1.695 16.323 208 1HG GLN 29 2HG GLN 29 -0.764 -3.177 14.811 209 2HG GLN 29 3HG GLN 29 0.221 -1.857 14.150 210 1HE2 GLN 29 1HE2 GLN 29 2.148 -3.028 14.596 211 2HE2 GLN 29 2HE2 GLN 29 2.752 -3.166 16.246 212 H ALA 30 H ALA 30 -1.647 -0.657 11.885 213 HA ALA 30 HA ALA 30 0.468 1.372 11.959 214 1HB ALA 30 1HB ALA 30 -0.758 -0.229 9.682 215 2HB ALA 30 2HB ALA 30 0.630 0.856 9.529 216 3HB ALA 30 3HB ALA 30 0.754 -0.557 10.571 217 H THR 31 H THR 31 0.464 2.949 10.040 218 HA THR 31 HA THR 31 -2.200 4.171 9.523 219 HB THR 31 HB THR 31 0.268 5.459 10.721 220 HG1 THR 31 1HG THR 31 -1.801 4.431 11.805 221 1HG2 THR 31 1HG2 THR 31 -0.485 7.020 8.997 222 2HG2 THR 31 2HG2 THR 31 -2.175 6.856 9.544 223 3HG2 THR 31 3HG2 THR 31 -0.962 7.621 10.591 224 H VAL 32 H VAL 32 -2.281 5.278 7.578 225 HA VAL 32 HA VAL 32 -0.104 4.658 5.640 226 HB VAL 32 HB VAL 32 -1.999 4.535 3.989 227 1HG1 VAL 32 1HG1 VAL 32 -1.301 2.404 4.397 228 2HG1 VAL 32 2HG1 VAL 32 -1.537 2.502 6.160 229 3HG1 VAL 32 3HG1 VAL 32 -2.905 2.253 5.077 230 1HG2 VAL 32 1HG2 VAL 32 -3.700 5.749 5.481 231 2HG2 VAL 32 2HG2 VAL 32 -4.234 4.310 4.651 232 3HG2 VAL 32 3HG2 VAL 32 -3.852 4.223 6.382 233 H GLN 33 H GLN 33 0.320 6.318 4.097 234 HA GLN 33 HA GLN 33 -1.615 8.488 3.807 235 1HB GLN 33 2HB GLN 33 1.328 8.966 4.474 236 2HB GLN 33 3HB GLN 33 0.318 10.106 3.580 237 1HG GLN 33 2HG GLN 33 -1.345 9.850 5.627 238 2HG GLN 33 3HG GLN 33 0.078 9.224 6.470 239 1HE2 GLN 33 1HE2 GLN 33 -0.914 11.965 4.316 240 2HE2 GLN 33 2HE2 GLN 33 -0.022 13.182 5.210 241 H VAL 34 H VAL 34 -2.177 7.996 1.772 242 HA VAL 34 HA VAL 34 -0.026 7.459 -0.210 243 HB VAL 34 HB VAL 34 -1.405 5.493 0.096 244 1HG1 VAL 34 1HG1 VAL 34 -3.816 7.140 -0.728 245 2HG1 VAL 34 2HG1 VAL 34 -3.758 5.392 -0.470 246 3HG1 VAL 34 3HG1 VAL 34 -3.525 6.488 0.900 247 1HG2 VAL 34 1HG2 VAL 34 -0.531 6.245 -2.172 248 2HG2 VAL 34 2HG2 VAL 34 -1.890 5.107 -2.197 249 3HG2 VAL 34 3HG2 VAL 34 -2.163 6.831 -2.528 250 H ASP 35 H ASP 35 0.185 8.911 -1.812 251 HA ASP 35 HA ASP 35 -1.673 11.240 -1.813 252 1HB ASP 35 2HB ASP 35 0.915 10.606 -3.186 253 2HB ASP 35 3HB ASP 35 -0.058 11.996 -3.644 254 H LEU 36 H LEU 36 -3.561 10.451 -2.700 255 HA LEU 36 HA LEU 36 -3.646 9.095 -5.299 256 1HB LEU 36 2HB LEU 36 -5.914 10.527 -3.856 257 2HB LEU 36 3HB LEU 36 -5.996 9.430 -5.239 258 HG LEU 36 HG LEU 36 -4.763 7.767 -3.489 259 1HD1 LEU 36 1HD1 LEU 36 -6.599 9.559 -1.805 260 2HD1 LEU 36 2HD1 LEU 36 -5.908 8.018 -1.280 261 3HD1 LEU 36 3HD1 LEU 36 -4.852 9.402 -1.587 262 1HD2 LEU 36 1HD2 LEU 36 -6.805 7.284 -4.763 263 2HD2 LEU 36 2HD2 LEU 36 -7.022 6.839 -3.060 264 3HD2 LEU 36 3HD2 LEU 36 -7.754 8.330 -3.685 265 H THR 37 H THR 37 -2.046 10.624 -6.009 266 HA THR 37 HA THR 37 -3.162 12.902 -7.538 267 HB THR 37 HB THR 37 -0.922 13.245 -5.497 268 HG1 THR 37 1HG THR 37 -3.597 13.539 -5.368 269 1HG2 THR 37 1HG2 THR 37 -1.030 15.648 -6.143 270 2HG2 THR 37 2HG2 THR 37 -0.432 14.626 -7.461 271 3HG2 THR 37 3HG2 THR 37 -2.109 15.224 -7.491 272 H SER 38 H SER 38 -0.261 10.858 -6.767 273 HA SER 38 HA SER 38 0.051 10.591 -9.670 274 1HB SER 38 2HB SER 38 2.424 11.476 -7.974 275 2HB SER 38 3HB SER 38 2.417 11.068 -9.711 276 HG SER 38 HG SER 38 0.552 12.826 -9.492 277 H LYS 39 H LYS 39 2.746 9.423 -7.784 278 HA LYS 39 HA LYS 39 1.446 6.826 -7.284 279 1HB LYS 39 2HB LYS 39 3.207 5.747 -8.722 280 2HB LYS 39 3HB LYS 39 1.854 6.547 -9.516 281 1HG LYS 39 2HG LYS 39 3.558 7.133 -10.839 282 2HG LYS 39 3HG LYS 39 3.456 8.576 -9.883 283 1HD LYS 39 2HD LYS 39 5.445 8.086 -8.699 284 2HD LYS 39 3HD LYS 39 5.372 6.357 -9.069 285 1HE LYS 39 2HE LYS 39 6.304 6.534 -11.129 286 2HE LYS 39 3HE LYS 39 5.604 8.122 -11.470 287 1HZ LYS 39 1HZ LYS 39 7.864 7.679 -9.637 288 2HZ LYS 39 2HZ LYS 39 7.990 8.179 -11.199 289 3HZ LYS 39 3HZ LYS 39 7.229 9.131 -10.097 290 H LYS 40 H LYS 40 1.981 7.848 -5.153 291 HA LYS 40 HA LYS 40 4.614 6.927 -4.192 292 1HB LYS 40 2HB LYS 40 5.059 9.127 -3.146 293 2HB LYS 40 3HB LYS 40 5.000 9.229 -4.912 294 1HG LYS 40 2HG LYS 40 2.408 9.746 -4.357 295 2HG LYS 40 3HG LYS 40 3.103 10.363 -2.865 296 1HD LYS 40 2HD LYS 40 4.017 11.249 -5.659 297 2HD LYS 40 3HD LYS 40 2.549 11.859 -4.905 298 1HE LYS 40 2HE LYS 40 4.204 13.487 -4.469 299 2HE LYS 40 3HE LYS 40 3.791 12.695 -2.950 300 1HZ LYS 40 1HZ LYS 40 6.106 12.971 -3.122 301 2HZ LYS 40 2HZ LYS 40 5.757 11.362 -3.154 302 3HZ LYS 40 3HZ LYS 40 6.188 12.144 -4.545 303 H VAL 41 H VAL 41 4.259 5.812 -2.283 304 HA VAL 41 HA VAL 41 1.854 6.509 -0.693 305 HB VAL 41 HB VAL 41 1.107 4.707 -2.098 306 1HG1 VAL 41 1HG1 VAL 41 2.189 2.500 -2.171 307 2HG1 VAL 41 2HG1 VAL 41 3.246 3.746 -2.846 308 3HG1 VAL 41 3HG1 VAL 41 3.532 3.137 -1.209 309 1HG2 VAL 41 1HG2 VAL 41 1.899 3.421 0.529 310 2HG2 VAL 41 2HG2 VAL 41 0.618 4.638 0.423 311 3HG2 VAL 41 3HG2 VAL 41 0.457 3.094 -0.444 312 H THR 42 H THR 42 2.214 6.483 1.487 313 HA THR 42 HA THR 42 4.894 5.624 2.414 314 HB THR 42 HB THR 42 3.247 7.994 3.374 315 HG1 THR 42 1HG THR 42 4.090 8.330 1.314 316 1HG2 THR 42 1HG2 THR 42 5.379 8.602 4.524 317 2HG2 THR 42 2HG2 THR 42 4.699 7.082 5.132 318 3HG2 THR 42 3HG2 THR 42 6.080 7.050 4.017 319 H ILE 43 H ILE 43 4.658 4.010 3.924 320 HA ILE 43 HA ILE 43 2.157 3.994 5.594 321 HB ILE 43 HB ILE 43 3.723 1.659 4.510 322 1HG1 ILE 43 2HG1 ILE 43 1.304 0.783 4.368 323 2HG1 ILE 43 3HG1 ILE 43 0.780 2.364 4.911 324 1HG2 ILE 43 1HG2 ILE 43 1.980 1.694 7.018 325 2HG2 ILE 43 2HG2 ILE 43 2.530 0.231 6.189 326 3HG2 ILE 43 3HG2 ILE 43 3.718 1.304 6.923 327 1HD1 ILE 43 1HD1 ILE 43 0.646 1.895 2.418 328 2HD1 ILE 43 2HD1 ILE 43 1.507 3.374 2.844 329 3HD1 ILE 43 3HD1 ILE 43 2.423 1.912 2.385 330 H THR 44 H THR 44 2.335 4.408 7.628 331 HA THR 44 HA THR 44 4.982 4.636 8.941 332 HB THR 44 HB THR 44 2.199 5.532 9.736 333 HG1 THR 44 1HG THR 44 4.214 6.857 8.312 334 1HG2 THR 44 1HG2 THR 44 3.826 5.359 11.642 335 2HG2 THR 44 2HG2 THR 44 4.877 6.511 10.794 336 3HG2 THR 44 3HG2 THR 44 3.262 7.008 11.319 337 H SER 45 H SER 45 5.273 2.316 9.007 338 HA SER 45 HA SER 45 3.870 1.055 11.274 339 1HB SER 45 2HB SER 45 3.633 -1.050 10.090 340 2HB SER 45 3HB SER 45 2.794 0.157 9.153 341 HG SER 45 HG SER 45 5.300 -1.042 8.638 342 H ALA 46 H ALA 46 5.119 -1.085 11.688 343 HA ALA 46 HA ALA 46 8.038 -0.839 11.082 344 1HB ALA 46 1HB ALA 46 6.682 -2.223 13.424 345 2HB ALA 46 2HB ALA 46 8.427 -2.170 13.086 346 3HB ALA 46 3HB ALA 46 7.557 -0.675 13.475 347 H LEU 47 H LEU 47 5.134 -2.941 10.917 348 HA LEU 47 HA LEU 47 6.845 -5.115 9.772 349 1HB LEU 47 2HB LEU 47 5.456 -6.698 10.588 350 2HB LEU 47 3HB LEU 47 5.436 -5.492 11.860 351 HG LEU 47 HG LEU 47 3.240 -4.642 10.796 352 1HD1 LEU 47 1HD1 LEU 47 3.713 -7.165 9.201 353 2HD1 LEU 47 2HD1 LEU 47 2.070 -6.891 9.790 354 3HD1 LEU 47 3HD1 LEU 47 2.819 -5.699 8.747 355 1HD2 LEU 47 1HD2 LEU 47 1.913 -6.284 12.016 356 2HD2 LEU 47 2HD2 LEU 47 3.319 -7.374 12.102 357 3HD2 LEU 47 3HD2 LEU 47 3.345 -5.797 12.930 358 H GLY 48 H GLY 48 3.890 -3.155 9.189 359 1HA GLY 48 2HA GLY 48 2.862 -3.948 6.953 360 2HA GLY 48 3HA GLY 48 3.227 -2.247 7.207 361 H GLU 49 H GLU 49 6.130 -2.446 7.005 362 HA GLU 49 HA GLU 49 6.679 -2.033 4.376 363 1HB GLU 49 2HB GLU 49 8.117 -1.749 6.439 364 2HB GLU 49 3HB GLU 49 8.537 -3.450 6.362 365 1HG GLU 49 2HG GLU 49 8.920 -1.885 3.821 366 2HG GLU 49 3HG GLU 49 9.985 -1.464 5.174 367 H GLU 50 H GLU 50 7.196 -5.229 5.960 368 HA GLU 50 HA GLU 50 7.721 -6.534 3.422 369 1HB GLU 50 2HB GLU 50 8.134 -7.170 6.168 370 2HB GLU 50 3HB GLU 50 6.953 -8.354 5.601 371 1HG GLU 50 2HG GLU 50 8.500 -8.786 3.626 372 2HG GLU 50 3HG GLU 50 9.689 -7.742 4.438 373 H GLN 51 H GLN 51 4.988 -6.386 5.703 374 HA GLN 51 HA GLN 51 3.403 -8.335 4.524 375 1HB GLN 51 2HB GLN 51 3.216 -7.019 6.749 376 2HB GLN 51 3HB GLN 51 2.212 -5.873 5.857 377 1HG GLN 51 2HG GLN 51 1.747 -8.884 6.049 378 2HG GLN 51 3HG GLN 51 1.025 -7.706 7.149 379 1HE2 GLN 51 1HE2 GLN 51 -0.507 -9.524 5.517 380 2HE2 GLN 51 2HE2 GLN 51 -1.441 -8.525 4.423 381 H LEU 52 H LEU 52 3.416 -4.824 3.852 382 HA LEU 52 HA LEU 52 1.558 -4.545 1.829 383 1HB LEU 52 2HB LEU 52 4.298 -3.324 2.325 384 2HB LEU 52 3HB LEU 52 3.305 -2.782 0.987 385 HG LEU 52 HG LEU 52 2.157 -2.807 3.776 386 1HD1 LEU 52 1HD1 LEU 52 2.991 -0.628 4.182 387 2HD1 LEU 52 2HD1 LEU 52 4.399 -1.542 3.665 388 3HD1 LEU 52 3HD1 LEU 52 3.614 -0.436 2.529 389 1HD2 LEU 52 1HD2 LEU 52 1.628 -0.963 1.404 390 2HD2 LEU 52 2HD2 LEU 52 0.737 -2.462 1.679 391 3HD2 LEU 52 3HD2 LEU 52 0.658 -1.153 2.879 392 H ARG 53 H ARG 53 4.991 -5.622 1.555 393 HA ARG 53 HA ARG 53 5.138 -5.655 -1.240 394 1HB ARG 53 2HB ARG 53 6.829 -6.381 0.832 395 2HB ARG 53 3HB ARG 53 6.428 -7.963 0.177 396 1HG ARG 53 2HG ARG 53 8.386 -7.305 -0.936 397 2HG ARG 53 3HG ARG 53 7.110 -6.975 -2.125 398 1HD ARG 53 2HD ARG 53 7.101 -4.582 -1.334 399 2HD ARG 53 3HD ARG 53 8.434 -4.963 -0.224 400 HE ARG 53 HE ARG 53 9.389 -5.768 -2.682 401 1HH1 ARG 53 2HH2 ARG 53 8.235 -2.669 -1.313 402 2HH1 ARG 53 1HH2 ARG 53 8.959 -1.752 -2.650 403 1HH2 ARG 53 2HH1 ARG 53 10.405 -4.350 -4.361 404 2HH2 ARG 53 1HH1 ARG 53 10.110 -2.621 -4.173 405 H THR 54 H THR 54 4.132 -8.323 0.926 406 HA THR 54 HA THR 54 3.310 -10.025 -1.212 407 HB THR 54 HB THR 54 2.576 -10.154 1.739 408 HG1 THR 54 1HG THR 54 4.532 -11.272 1.904 409 1HG2 THR 54 1HG2 THR 54 1.340 -11.791 0.333 410 2HG2 THR 54 2HG2 THR 54 2.867 -12.306 -0.418 411 3HG2 THR 54 3HG2 THR 54 2.573 -12.615 1.306 412 H ALA 55 H ALA 55 1.441 -7.930 1.036 413 HA ALA 55 HA ALA 55 -1.140 -8.830 0.220 414 1HB ALA 55 1HB ALA 55 -0.760 -7.676 2.339 415 2HB ALA 55 2HB ALA 55 -0.300 -6.187 1.489 416 3HB ALA 55 3HB ALA 55 -1.964 -6.801 1.381 417 H ILE 56 H ILE 56 0.758 -5.950 -0.728 418 HA ILE 56 HA ILE 56 -0.905 -4.995 -2.804 419 HB ILE 56 HB ILE 56 2.146 -5.007 -2.695 420 1HG1 ILE 56 2HG1 ILE 56 0.332 -2.644 -2.049 421 2HG1 ILE 56 3HG1 ILE 56 0.850 -3.739 -0.761 422 1HG2 ILE 56 1HG2 ILE 56 1.235 -4.573 -4.955 423 2HG2 ILE 56 2HG2 ILE 56 0.110 -3.370 -4.240 424 3HG2 ILE 56 3HG2 ILE 56 1.870 -3.107 -4.249 425 1HD1 ILE 56 1HD1 ILE 56 3.234 -3.236 -1.375 426 2HD1 ILE 56 2HD1 ILE 56 2.641 -2.043 -2.545 427 3HD1 ILE 56 3HD1 ILE 56 2.296 -1.820 -0.837 428 H ALA 57 H ALA 57 1.755 -7.504 -2.984 429 HA ALA 57 HA ALA 57 1.357 -8.049 -5.723 430 1HB ALA 57 1HB ALA 57 2.454 -10.179 -5.323 431 2HB ALA 57 2HB ALA 57 3.283 -8.879 -4.447 432 3HB ALA 57 3HB ALA 57 2.233 -10.017 -3.573 433 H SER 58 H SER 58 -0.391 -9.342 -2.889 434 HA SER 58 HA SER 58 -2.010 -11.233 -4.225 435 1HB SER 58 2HB SER 58 -1.795 -10.763 -1.691 436 2HB SER 58 3HB SER 58 -3.040 -9.516 -1.942 437 HG SER 58 HG SER 58 -3.990 -11.487 -1.392 438 H ALA 59 H ALA 59 -2.541 -7.705 -3.711 439 HA ALA 59 HA ALA 59 -5.024 -7.589 -5.176 440 1HB ALA 59 1HB ALA 59 -4.293 -5.789 -3.651 441 2HB ALA 59 2HB ALA 59 -2.955 -5.389 -4.754 442 3HB ALA 59 3HB ALA 59 -4.633 -5.183 -5.285 443 H GLY 60 H GLY 60 -1.624 -7.149 -6.122 444 1HA GLY 60 2HA GLY 60 -0.723 -7.912 -8.177 445 2HA GLY 60 3HA GLY 60 -2.295 -7.757 -8.964 446 H HIS 61 H HIS 61 0.094 -5.700 -7.200 447 HA HIS 61 HA HIS 61 -0.107 -3.696 -9.400 448 1HB HIS 61 2HB HIS 61 0.036 -3.289 -6.414 449 2HB HIS 61 3HB HIS 61 0.489 -2.018 -7.520 450 HD1 HIS 61 1HD HIS 61 -1.742 -1.386 -9.345 451 HD2 HIS 61 2HD HIS 61 -2.230 -2.818 -5.414 452 HE1 HIS 61 1HE HIS 61 -3.857 -0.321 -8.431 453 H GLU 62 H GLU 62 1.820 -2.888 -10.131 454 HA GLU 62 HA GLU 62 4.199 -4.475 -9.627 455 1HB GLU 62 2HB GLU 62 3.626 -2.205 -11.592 456 2HB GLU 62 3HB GLU 62 5.005 -3.314 -11.632 457 1HG GLU 62 2HG GLU 62 2.082 -4.176 -11.973 458 2HG GLU 62 3HG GLU 62 3.248 -3.918 -13.272 459 H VAL 63 H VAL 63 3.943 -3.377 -7.388 460 HA VAL 63 HA VAL 63 4.972 -0.653 -7.206 461 HB VAL 63 HB VAL 63 4.383 -2.692 -5.023 462 1HG1 VAL 63 1HG1 VAL 63 4.336 -0.756 -3.503 463 2HG1 VAL 63 2HG1 VAL 63 5.952 -0.961 -4.176 464 3HG1 VAL 63 3HG1 VAL 63 4.877 0.312 -4.800 465 1HG2 VAL 63 1HG2 VAL 63 2.376 -2.140 -6.208 466 2HG2 VAL 63 2HG2 VAL 63 2.365 -1.042 -4.803 467 3HG2 VAL 63 3HG2 VAL 63 2.861 -0.457 -6.390 468 H GLU 64 H GLU 64 6.941 0.098 -6.755 469 HA GLU 64 HA GLU 64 9.189 -1.822 -6.370 470 1HB GLU 64 2HB GLU 64 9.083 0.189 -8.191 471 2HB GLU 64 3HB GLU 64 9.638 1.103 -6.779 472 1HG GLU 64 2HG GLU 64 11.633 0.442 -7.804 473 2HG GLU 64 3HG GLU 64 11.439 -0.802 -6.560 Start of MODEL 10 1 1H MET 1 H1 MET 1 10.433 2.922 9.950 2 2H MET 1 H2 MET 1 10.466 2.485 11.545 3 3H MET 1 H3 MET 1 9.278 1.901 10.538 4 HA MET 1 HA MET 1 8.344 3.511 11.911 5 1HB MET 1 2HB MET 1 10.600 5.314 10.915 6 2HB MET 1 3HB MET 1 9.103 5.917 11.650 7 1HG MET 1 2HG MET 1 10.743 5.763 13.401 8 2HG MET 1 3HG MET 1 9.515 4.526 13.650 9 1HE MET 1 1HE MET 1 11.477 3.829 15.481 10 2HE MET 1 2HE MET 1 10.402 2.545 14.872 11 3HE MET 1 3HE MET 1 12.148 2.246 15.020 12 H THR 2 H THR 2 9.573 5.246 8.999 13 HA THR 2 HA THR 2 6.876 4.924 7.782 14 HB THR 2 HB THR 2 7.215 7.150 8.694 15 HG1 THR 2 1HG THR 2 6.685 8.196 6.781 16 1HG2 THR 2 1HG2 THR 2 9.484 7.522 6.689 17 2HG2 THR 2 2HG2 THR 2 8.826 8.720 7.808 18 3HG2 THR 2 3HG2 THR 2 9.728 7.336 8.439 19 H ILE 3 H ILE 3 6.929 3.826 5.884 20 HA ILE 3 HA ILE 3 9.496 3.630 4.378 21 HB ILE 3 HB ILE 3 7.066 1.802 4.290 22 1HG1 ILE 3 2HG1 ILE 3 7.909 1.526 6.525 23 2HG1 ILE 3 3HG1 ILE 3 8.333 0.129 5.545 24 1HG2 ILE 3 1HG2 ILE 3 8.610 0.276 3.136 25 2HG2 ILE 3 2HG2 ILE 3 8.477 1.826 2.291 26 3HG2 ILE 3 3HG2 ILE 3 9.911 1.483 3.261 27 1HD1 ILE 3 1HD1 ILE 3 10.245 2.382 6.309 28 2HD1 ILE 3 2HD1 ILE 3 10.179 0.760 7.013 29 3HD1 ILE 3 3HD1 ILE 3 10.665 0.962 5.325 30 H GLN 4 H GLN 4 9.433 4.649 2.411 31 HA GLN 4 HA GLN 4 6.825 5.625 1.328 32 1HB GLN 4 2HB GLN 4 9.640 6.694 1.256 33 2HB GLN 4 3HB GLN 4 8.517 7.069 -0.065 34 1HG GLN 4 2HG GLN 4 6.937 8.091 1.352 35 2HG GLN 4 3HG GLN 4 7.669 7.425 2.807 36 1HE2 GLN 4 1HE2 GLN 4 8.078 9.842 0.206 37 2HE2 GLN 4 2HE2 GLN 4 9.220 10.836 1.099 38 H LEU 5 H LEU 5 6.073 4.090 -0.049 39 HA LEU 5 HA LEU 5 8.008 2.727 -1.867 40 1HB LEU 5 2HB LEU 5 5.098 2.009 -1.419 41 2HB LEU 5 3HB LEU 5 6.339 1.143 -2.279 42 HG LEU 5 HG LEU 5 7.584 0.894 -0.046 43 1HD1 LEU 5 1HD1 LEU 5 4.838 1.774 1.014 44 2HD1 LEU 5 2HD1 LEU 5 6.051 0.893 1.969 45 3HD1 LEU 5 3HD1 LEU 5 6.390 2.514 1.423 46 1HD2 LEU 5 1HD2 LEU 5 4.817 -0.303 -0.403 47 2HD2 LEU 5 2HD2 LEU 5 6.305 -0.892 -1.181 48 3HD2 LEU 5 3HD2 LEU 5 6.132 -1.008 0.577 49 H THR 6 H THR 6 7.375 2.539 -4.091 50 HA THR 6 HA THR 6 5.923 4.932 -5.143 51 HB THR 6 HB THR 6 8.196 3.308 -6.358 52 HG1 THR 6 1HG THR 6 9.458 4.778 -5.525 53 1HG2 THR 6 1HG2 THR 6 6.745 4.317 -8.099 54 2HG2 THR 6 2HG2 THR 6 6.830 5.888 -7.271 55 3HG2 THR 6 3HG2 THR 6 8.288 5.181 -7.997 56 H VAL 7 H VAL 7 4.117 4.478 -6.266 57 HA VAL 7 HA VAL 7 3.533 1.667 -7.175 58 HB VAL 7 HB VAL 7 2.327 1.991 -5.206 59 1HG1 VAL 7 1HG1 VAL 7 1.223 4.630 -6.239 60 2HG1 VAL 7 2HG1 VAL 7 0.720 3.778 -4.776 61 3HG1 VAL 7 3HG1 VAL 7 2.360 4.418 -4.891 62 1HG2 VAL 7 1HG2 VAL 7 1.109 0.993 -7.200 63 2HG2 VAL 7 2HG2 VAL 7 0.079 1.645 -5.914 64 3HG2 VAL 7 3HG2 VAL 7 0.327 2.565 -7.401 65 HA PRO 8 HA PRO 8 3.569 4.605 -10.689 66 1HB PRO 8 2HB PRO 8 4.651 2.975 -12.590 67 2HB PRO 8 3HB PRO 8 5.638 3.771 -11.328 68 1HG PRO 8 2HG PRO 8 4.573 0.941 -11.302 69 2HG PRO 8 3HG PRO 8 6.239 1.489 -10.968 70 1HD PRO 8 2HD PRO 8 4.463 0.992 -8.990 71 2HD PRO 8 3HD PRO 8 5.633 2.331 -8.846 72 H THR 9 H THR 9 2.299 1.320 -10.433 73 HA THR 9 HA THR 9 0.674 1.525 -12.812 74 HB THR 9 HB THR 9 1.673 -0.531 -12.186 75 HG1 THR 9 1HG THR 9 -0.530 -0.578 -13.069 76 1HG2 THR 9 1HG2 THR 9 1.037 -1.866 -10.326 77 2HG2 THR 9 2HG2 THR 9 1.870 -0.423 -9.758 78 3HG2 THR 9 3HG2 THR 9 0.096 -0.553 -9.606 79 H ILE 10 H ILE 10 -0.080 1.570 -9.274 80 HA ILE 10 HA ILE 10 -1.804 2.069 -8.128 81 HB ILE 10 HB ILE 10 -1.425 4.219 -9.889 82 1HG1 ILE 10 2HG1 ILE 10 -2.883 3.836 -7.305 83 2HG1 ILE 10 3HG1 ILE 10 -1.191 4.294 -7.531 84 1HG2 ILE 10 1HG2 ILE 10 -3.530 5.243 -10.293 85 2HG2 ILE 10 2HG2 ILE 10 -3.596 3.639 -11.011 86 3HG2 ILE 10 3HG2 ILE 10 -4.412 3.960 -9.455 87 1HD1 ILE 10 1HD1 ILE 10 -1.965 6.455 -8.569 88 2HD1 ILE 10 2HD1 ILE 10 -3.626 6.036 -8.072 89 3HD1 ILE 10 3HD1 ILE 10 -2.366 6.262 -6.850 90 H ALA 11 H ALA 11 -3.612 1.158 -7.428 91 HA ALA 11 HA ALA 11 -4.724 -0.813 -9.210 92 1HB ALA 11 1HB ALA 11 -5.998 -0.259 -6.566 93 2HB ALA 11 2HB ALA 11 -5.666 -1.784 -7.364 94 3HB ALA 11 3HB ALA 11 -4.342 -0.900 -6.579 95 H CYS 12 H CYS 12 -5.408 2.361 -9.036 96 HA CYS 12 HA CYS 12 -7.037 3.692 -9.879 97 1HB CYS 12 2HB CYS 12 -5.668 2.941 -11.683 98 2HB CYS 12 3HB CYS 12 -6.563 1.449 -11.847 99 HG CYS 12 HG CYS 12 -7.555 4.589 -12.225 100 H GLU 13 H GLU 13 -8.494 0.609 -11.025 101 HA GLU 13 HA GLU 13 -11.200 1.495 -10.769 102 1HB GLU 13 2HB GLU 13 -10.052 -1.349 -10.742 103 2HB GLU 13 3HB GLU 13 -11.728 -0.881 -11.026 104 1HG GLU 13 2HG GLU 13 -11.076 -1.134 -13.187 105 2HG GLU 13 3HG GLU 13 -10.609 0.562 -13.013 106 H ALA 14 H ALA 14 -9.068 -0.517 -8.776 107 HA ALA 14 HA ALA 14 -10.942 -0.561 -6.481 108 1HB ALA 14 1HB ALA 14 -9.706 -2.611 -7.119 109 2HB ALA 14 2HB ALA 14 -8.169 -1.769 -6.826 110 3HB ALA 14 3HB ALA 14 -9.296 -2.060 -5.484 111 H CYS 15 H CYS 15 -8.210 1.210 -7.696 112 HA CYS 15 HA CYS 15 -6.961 2.909 -6.939 113 1HB CYS 15 2HB CYS 15 -9.228 3.226 -4.967 114 2HB CYS 15 3HB CYS 15 -7.697 4.050 -4.662 115 HG CYS 15 HG CYS 15 -9.406 4.081 -7.465 116 H ALA 16 H ALA 16 -5.121 3.254 -5.823 117 HA ALA 16 HA ALA 16 -3.773 1.059 -4.795 118 1HB ALA 16 1HB ALA 16 -2.226 2.756 -3.675 119 2HB ALA 16 2HB ALA 16 -2.449 2.918 -5.410 120 3HB ALA 16 3HB ALA 16 -3.305 4.021 -4.297 121 H GLU 17 H GLU 17 -5.828 3.309 -2.945 122 HA GLU 17 HA GLU 17 -4.942 2.521 -0.396 123 1HB GLU 17 2HB GLU 17 -6.608 3.855 0.454 124 2HB GLU 17 3HB GLU 17 -6.278 4.570 -1.112 125 1HG GLU 17 2HG GLU 17 -8.598 4.563 -1.105 126 2HG GLU 17 3HG GLU 17 -8.296 3.034 -1.942 127 H ALA 18 H ALA 18 -6.843 0.706 -2.662 128 HA ALA 18 HA ALA 18 -8.096 -1.222 -1.093 129 1HB ALA 18 1HB ALA 18 -7.460 -2.784 -2.902 130 2HB ALA 18 2HB ALA 18 -8.008 -1.225 -3.555 131 3HB ALA 18 3HB ALA 18 -6.277 -1.606 -3.516 132 H VAL 19 H VAL 19 -4.550 -0.806 -1.725 133 HA VAL 19 HA VAL 19 -3.754 -3.106 -0.256 134 HB VAL 19 HB VAL 19 -2.297 -1.686 -1.812 135 1HG1 VAL 19 1HG1 VAL 19 -2.452 0.508 -0.468 136 2HG1 VAL 19 2HG1 VAL 19 -1.490 -0.301 0.787 137 3HG1 VAL 19 3HG1 VAL 19 -0.822 -0.072 -0.832 138 1HG2 VAL 19 1HG2 VAL 19 -1.415 -2.806 0.887 139 2HG2 VAL 19 2HG2 VAL 19 -1.469 -3.667 -0.659 140 3HG2 VAL 19 3HG2 VAL 19 -0.275 -2.379 -0.361 141 H THR 20 H THR 20 -4.372 0.282 0.703 142 HA THR 20 HA THR 20 -3.449 0.106 3.402 143 HB THR 20 HB THR 20 -5.288 1.954 1.889 144 HG1 THR 20 1HG THR 20 -3.001 2.141 2.056 145 1HG2 THR 20 1HG2 THR 20 -5.210 1.898 4.906 146 2HG2 THR 20 2HG2 THR 20 -5.762 3.249 3.881 147 3HG2 THR 20 3HG2 THR 20 -6.631 1.721 3.859 148 H LYS 21 H LYS 21 -6.755 -0.430 2.024 149 HA LYS 21 HA LYS 21 -7.822 -1.217 4.561 150 1HB LYS 21 2HB LYS 21 -8.828 -2.071 1.819 151 2HB LYS 21 3HB LYS 21 -9.704 -2.095 3.361 152 1HG LYS 21 2HG LYS 21 -8.794 0.507 3.281 153 2HG LYS 21 3HG LYS 21 -9.037 0.175 1.557 154 1HD LYS 21 2HD LYS 21 -11.381 -0.601 2.100 155 2HD LYS 21 3HD LYS 21 -11.099 -0.216 3.804 156 1HE LYS 21 2HE LYS 21 -11.453 1.662 1.449 157 2HE LYS 21 3HE LYS 21 -12.356 1.603 2.964 158 1HZ LYS 21 1HZ LYS 21 -10.886 3.450 2.968 159 2HZ LYS 21 2HZ LYS 21 -10.225 2.372 4.032 160 3HZ LYS 21 3HZ LYS 21 -9.632 2.575 2.497 161 H ALA 22 H ALA 22 -6.302 -3.139 1.981 162 HA ALA 22 HA ALA 22 -6.811 -5.708 3.146 163 1HB ALA 22 1HB ALA 22 -5.953 -5.463 0.860 164 2HB ALA 22 2HB ALA 22 -4.407 -4.844 1.495 165 3HB ALA 22 3HB ALA 22 -4.910 -6.506 1.862 166 H VAL 23 H VAL 23 -3.858 -3.696 3.352 167 HA VAL 23 HA VAL 23 -2.422 -5.297 5.161 168 HB VAL 23 HB VAL 23 -2.329 -2.305 4.621 169 1HG1 VAL 23 1HG1 VAL 23 -1.026 -2.798 6.695 170 2HG1 VAL 23 2HG1 VAL 23 -0.232 -4.164 5.861 171 3HG1 VAL 23 3HG1 VAL 23 0.082 -2.509 5.330 172 1HG2 VAL 23 1HG2 VAL 23 -1.898 -3.984 2.689 173 2HG2 VAL 23 2HG2 VAL 23 -0.653 -2.771 3.036 174 3HG2 VAL 23 3HG2 VAL 23 -0.444 -4.447 3.569 175 H GLN 24 H GLN 24 -4.685 -2.557 5.768 176 HA GLN 24 HA GLN 24 -4.456 -2.419 8.565 177 1HB GLN 24 2HB GLN 24 -6.832 -1.984 6.744 178 2HB GLN 24 3HB GLN 24 -6.857 -1.592 8.456 179 1HG GLN 24 2HG GLN 24 -4.581 -0.446 6.851 180 2HG GLN 24 3HG GLN 24 -6.200 0.178 6.517 181 1HE2 GLN 24 1HE2 GLN 24 -3.605 1.212 7.963 182 2HE2 GLN 24 2HE2 GLN 24 -4.261 1.947 9.408 183 H ASN 25 H ASN 25 -5.854 -5.107 6.683 184 HA ASN 25 HA ASN 25 -7.520 -6.063 8.887 185 1HB ASN 25 2HB ASN 25 -6.313 -7.520 6.494 186 2HB ASN 25 3HB ASN 25 -7.194 -8.310 7.782 187 1HD2 ASN 25 1HD2 ASN 25 -7.729 -5.426 5.550 188 2HD2 ASN 25 2HD2 ASN 25 -9.410 -5.853 5.336 189 H GLU 26 H GLU 26 -4.194 -6.836 7.749 190 HA GLU 26 HA GLU 26 -3.669 -8.547 10.043 191 1HB GLU 26 2HB GLU 26 -1.782 -7.451 7.910 192 2HB GLU 26 3HB GLU 26 -1.418 -8.703 9.108 193 1HG GLU 26 2HG GLU 26 -3.293 -10.098 8.166 194 2HG GLU 26 3HG GLU 26 -3.522 -8.883 6.895 195 H ASP 27 H ASP 27 -2.416 -5.371 8.948 196 HA ASP 27 HA ASP 27 -1.289 -4.883 11.639 197 1HB ASP 27 2HB ASP 27 0.123 -4.706 9.502 198 2HB ASP 27 3HB ASP 27 -0.781 -3.257 9.109 199 H ALA 28 H ALA 28 -3.587 -4.614 12.345 200 HA ALA 28 HA ALA 28 -5.217 -2.466 11.303 201 1HB ALA 28 1HB ALA 28 -5.394 -3.962 13.951 202 2HB ALA 28 2HB ALA 28 -6.663 -2.950 13.226 203 3HB ALA 28 3HB ALA 28 -6.160 -4.452 12.421 204 H GLN 29 H GLN 29 -2.516 -2.482 13.376 205 HA GLN 29 HA GLN 29 -3.213 0.100 14.661 206 1HB GLN 29 2HB GLN 29 -1.213 -0.372 16.003 207 2HB GLN 29 3HB GLN 29 -2.457 -1.608 16.174 208 1HG GLN 29 2HG GLN 29 -1.211 -3.176 14.826 209 2HG GLN 29 3HG GLN 29 -0.132 -1.888 14.250 210 1HE2 GLN 29 1HE2 GLN 29 1.718 -3.023 14.877 211 2HE2 GLN 29 2HE2 GLN 29 2.182 -3.136 16.574 212 H ALA 30 H ALA 30 -2.138 -0.665 11.648 213 HA ALA 30 HA ALA 30 0.266 0.968 11.555 214 1HB ALA 30 1HB ALA 30 -0.117 -0.828 9.925 215 2HB ALA 30 2HB ALA 30 -1.601 -0.042 9.364 216 3HB ALA 30 3HB ALA 30 -0.022 0.721 9.091 217 H THR 31 H THR 31 0.473 2.915 10.241 218 HA THR 31 HA THR 31 -2.032 4.502 9.855 219 HB THR 31 HB THR 31 0.705 5.393 10.807 220 HG1 THR 31 1HG THR 31 -1.055 4.520 12.217 221 1HG2 THR 31 1HG2 THR 31 -0.140 7.088 9.201 222 2HG2 THR 31 2HG2 THR 31 -1.722 7.079 10.018 223 3HG2 THR 31 3HG2 THR 31 -0.284 7.685 10.861 224 H VAL 32 H VAL 32 -2.180 5.534 7.897 225 HA VAL 32 HA VAL 32 -0.306 4.650 5.752 226 HB VAL 32 HB VAL 32 -2.478 4.465 4.416 227 1HG1 VAL 32 1HG1 VAL 32 -1.733 2.544 6.645 228 2HG1 VAL 32 2HG1 VAL 32 -3.123 2.218 5.606 229 3HG1 VAL 32 3HG1 VAL 32 -1.544 2.400 4.882 230 1HG2 VAL 32 1HG2 VAL 32 -4.550 4.102 5.575 231 2HG2 VAL 32 2HG2 VAL 32 -3.799 4.294 7.157 232 3HG2 VAL 32 3HG2 VAL 32 -3.963 5.685 6.055 233 H GLN 33 H GLN 33 0.251 6.341 4.266 234 HA GLN 33 HA GLN 33 -1.626 8.618 4.027 235 1HB GLN 33 2HB GLN 33 1.326 8.830 4.763 236 2HB GLN 33 3HB GLN 33 0.416 10.131 3.976 237 1HG GLN 33 2HG GLN 33 -1.219 10.074 5.886 238 2HG GLN 33 3HG GLN 33 -0.176 8.898 6.702 239 1HE2 GLN 33 1HE2 GLN 33 1.418 9.739 8.050 240 2HE2 GLN 33 2HE2 GLN 33 1.926 11.418 7.998 241 H VAL 34 H VAL 34 -2.234 8.072 1.970 242 HA VAL 34 HA VAL 34 -0.084 7.552 -0.021 243 HB VAL 34 HB VAL 34 -1.459 5.583 0.332 244 1HG1 VAL 34 1HG1 VAL 34 -3.581 6.595 1.072 245 2HG1 VAL 34 2HG1 VAL 34 -3.843 7.224 -0.567 246 3HG1 VAL 34 3HG1 VAL 34 -3.804 5.477 -0.285 247 1HG2 VAL 34 1HG2 VAL 34 -0.535 6.229 -1.940 248 2HG2 VAL 34 2HG2 VAL 34 -1.929 5.133 -1.984 249 3HG2 VAL 34 3HG2 VAL 34 -2.135 6.857 -2.354 250 H ASP 35 H ASP 35 0.039 8.803 -1.783 251 HA ASP 35 HA ASP 35 -1.688 11.225 -1.824 252 1HB ASP 35 2HB ASP 35 1.087 10.602 -2.298 253 2HB ASP 35 3HB ASP 35 0.409 11.326 -3.768 254 H LEU 36 H LEU 36 -3.572 10.323 -2.691 255 HA LEU 36 HA LEU 36 -3.623 9.110 -5.366 256 1HB LEU 36 2HB LEU 36 -5.839 10.336 -3.676 257 2HB LEU 36 3HB LEU 36 -6.035 9.628 -5.279 258 HG LEU 36 HG LEU 36 -4.640 7.621 -3.914 259 1HD1 LEU 36 1HD1 LEU 36 -5.880 7.250 -1.838 260 2HD1 LEU 36 2HD1 LEU 36 -5.056 8.824 -1.765 261 3HD1 LEU 36 3HD1 LEU 36 -6.803 8.745 -2.079 262 1HD2 LEU 36 1HD2 LEU 36 -7.645 7.912 -4.318 263 2HD2 LEU 36 2HD2 LEU 36 -6.482 7.289 -5.510 264 3HD2 LEU 36 3HD2 LEU 36 -6.772 6.397 -4.006 265 H THR 37 H THR 37 -2.087 10.613 -6.009 266 HA THR 37 HA THR 37 -3.137 12.923 -7.509 267 HB THR 37 HB THR 37 -0.968 13.245 -5.380 268 HG1 THR 37 1HG THR 37 -3.643 13.544 -5.329 269 1HG2 THR 37 1HG2 THR 37 -2.104 15.240 -7.392 270 2HG2 THR 37 2HG2 THR 37 -1.054 15.652 -6.023 271 3HG2 THR 37 3HG2 THR 37 -0.431 14.643 -7.337 272 H SER 38 H SER 38 -0.275 10.821 -6.646 273 HA SER 38 HA SER 38 0.148 10.648 -9.542 274 1HB SER 38 2HB SER 38 2.489 11.390 -7.744 275 2HB SER 38 3HB SER 38 2.483 11.133 -9.504 276 HG SER 38 HG SER 38 0.687 12.890 -9.244 277 H LYS 39 H LYS 39 2.564 9.427 -7.232 278 HA LYS 39 HA LYS 39 1.477 6.716 -7.412 279 1HB LYS 39 2HB LYS 39 3.451 5.972 -8.832 280 2HB LYS 39 3HB LYS 39 2.145 6.857 -9.619 281 1HG LYS 39 2HG LYS 39 3.668 8.948 -9.392 282 2HG LYS 39 3HG LYS 39 4.950 7.829 -8.928 283 1HD LYS 39 2HD LYS 39 3.447 7.014 -11.373 284 2HD LYS 39 3HD LYS 39 4.148 8.623 -11.514 285 1HE LYS 39 2HE LYS 39 6.387 7.784 -11.030 286 2HE LYS 39 3HE LYS 39 5.758 6.169 -10.663 287 1HZ LYS 39 1HZ LYS 39 5.615 7.483 -13.303 288 2HZ LYS 39 2HZ LYS 39 6.686 6.313 -12.876 289 3HZ LYS 39 3HZ LYS 39 5.081 5.967 -12.952 290 H LYS 40 H LYS 40 2.020 8.126 -5.170 291 HA LYS 40 HA LYS 40 4.569 7.023 -4.089 292 1HB LYS 40 2HB LYS 40 4.951 9.187 -2.972 293 2HB LYS 40 3HB LYS 40 4.992 9.312 -4.728 294 1HG LYS 40 2HG LYS 40 2.301 9.845 -4.070 295 2HG LYS 40 3HG LYS 40 3.198 10.600 -2.768 296 1HD LYS 40 2HD LYS 40 4.055 11.132 -5.626 297 2HD LYS 40 3HD LYS 40 2.515 11.790 -5.090 298 1HE LYS 40 2HE LYS 40 4.601 12.360 -3.100 299 2HE LYS 40 3HE LYS 40 5.080 12.926 -4.703 300 1HZ LYS 40 1HZ LYS 40 3.822 14.588 -3.479 301 2HZ LYS 40 2HZ LYS 40 2.996 14.143 -4.829 302 3HZ LYS 40 3HZ LYS 40 2.529 13.598 -3.369 303 H VAL 41 H VAL 41 4.317 6.057 -2.052 304 HA VAL 41 HA VAL 41 1.865 6.681 -0.530 305 HB VAL 41 HB VAL 41 1.173 4.797 -1.891 306 1HG1 VAL 41 1HG1 VAL 41 2.283 2.610 -1.806 307 2HG1 VAL 41 2HG1 VAL 41 3.351 3.828 -2.517 308 3HG1 VAL 41 3HG1 VAL 41 3.574 3.317 -0.823 309 1HG2 VAL 41 1HG2 VAL 41 0.597 4.881 0.601 310 2HG2 VAL 41 2HG2 VAL 41 0.510 3.270 -0.146 311 3HG2 VAL 41 3HG2 VAL 41 1.895 3.714 0.863 312 H THR 42 H THR 42 2.195 6.727 1.650 313 HA THR 42 HA THR 42 4.906 5.967 2.594 314 HB THR 42 HB THR 42 3.071 8.236 3.466 315 HG1 THR 42 1HG THR 42 4.509 9.534 2.419 316 1HG2 THR 42 1HG2 THR 42 4.457 7.420 5.328 317 2HG2 THR 42 2HG2 THR 42 5.899 7.470 4.298 318 3HG2 THR 42 3HG2 THR 42 5.079 8.978 4.757 319 H ILE 43 H ILE 43 4.710 4.221 3.908 320 HA ILE 43 HA ILE 43 2.177 3.832 5.477 321 HB ILE 43 HB ILE 43 4.204 1.817 4.468 322 1HG1 ILE 43 2HG1 ILE 43 2.696 2.585 2.695 323 2HG1 ILE 43 3HG1 ILE 43 2.293 0.943 3.170 324 1HG2 ILE 43 1HG2 ILE 43 2.520 0.159 5.472 325 2HG2 ILE 43 2HG2 ILE 43 3.538 1.050 6.607 326 3HG2 ILE 43 3HG2 ILE 43 1.850 1.530 6.376 327 1HD1 ILE 43 1HD1 ILE 43 0.722 3.427 3.857 328 2HD1 ILE 43 2HD1 ILE 43 0.248 2.051 2.852 329 3HD1 ILE 43 3HD1 ILE 43 0.470 1.818 4.595 330 H THR 44 H THR 44 2.319 4.193 7.545 331 HA THR 44 HA THR 44 4.978 4.330 8.840 332 HB THR 44 HB THR 44 2.369 5.705 9.461 333 HG1 THR 44 1HG THR 44 3.816 6.397 7.704 334 1HG2 THR 44 1HG2 THR 44 3.689 6.925 11.187 335 2HG2 THR 44 2HG2 THR 44 3.563 5.203 11.582 336 3HG2 THR 44 3HG2 THR 44 5.068 5.848 10.888 337 H SER 45 H SER 45 5.246 2.161 9.355 338 HA SER 45 HA SER 45 3.769 1.217 11.639 339 1HB SER 45 2HB SER 45 3.203 -0.992 10.654 340 2HB SER 45 3HB SER 45 2.296 0.292 9.880 341 HG SER 45 HG SER 45 3.310 -1.257 8.449 342 H ALA 46 H ALA 46 4.774 -1.059 12.185 343 HA ALA 46 HA ALA 46 7.705 -0.972 11.940 344 1HB ALA 46 1HB ALA 46 6.673 -1.734 14.034 345 2HB ALA 46 2HB ALA 46 5.814 -3.027 13.168 346 3HB ALA 46 3HB ALA 46 7.587 -3.049 13.266 347 H LEU 47 H LEU 47 4.936 -2.914 10.748 348 HA LEU 47 HA LEU 47 6.734 -4.416 8.907 349 1HB LEU 47 2HB LEU 47 5.003 -6.130 8.841 350 2HB LEU 47 3HB LEU 47 5.828 -5.960 10.376 351 HG LEU 47 HG LEU 47 3.473 -4.344 10.603 352 1HD1 LEU 47 1HD1 LEU 47 1.737 -6.134 10.263 353 2HD1 LEU 47 2HD1 LEU 47 2.424 -5.470 8.776 354 3HD1 LEU 47 3HD1 LEU 47 2.937 -7.073 9.359 355 1HD2 LEU 47 1HD2 LEU 47 4.087 -7.113 11.711 356 2HD2 LEU 47 2HD2 LEU 47 4.617 -5.571 12.427 357 3HD2 LEU 47 3HD2 LEU 47 2.890 -5.964 12.345 358 H GLY 48 H GLY 48 6.690 -2.410 7.794 359 1HA GLY 48 2HA GLY 48 4.227 -1.785 6.231 360 2HA GLY 48 3HA GLY 48 5.767 -0.911 6.187 361 H GLU 49 H GLU 49 7.628 -2.097 5.354 362 HA GLU 49 HA GLU 49 7.223 -2.545 2.699 363 1HB GLU 49 2HB GLU 49 9.349 -1.955 3.984 364 2HB GLU 49 3HB GLU 49 9.622 -3.688 4.195 365 1HG GLU 49 2HG GLU 49 9.597 -3.933 1.702 366 2HG GLU 49 3HG GLU 49 9.346 -2.179 1.561 367 H GLU 50 H GLU 50 8.118 -5.193 4.950 368 HA GLU 50 HA GLU 50 7.859 -7.367 3.206 369 1HB GLU 50 2HB GLU 50 7.540 -7.022 6.212 370 2HB GLU 50 3HB GLU 50 7.297 -8.598 5.454 371 1HG GLU 50 2HG GLU 50 9.528 -8.616 4.536 372 2HG GLU 50 3HG GLU 50 9.846 -6.965 5.094 373 H GLN 51 H GLN 51 5.383 -5.977 5.395 374 HA GLN 51 HA GLN 51 3.407 -7.908 4.778 375 1HB GLN 51 2HB GLN 51 3.640 -5.922 6.636 376 2HB GLN 51 3HB GLN 51 2.512 -5.132 5.542 377 1HG GLN 51 2HG GLN 51 2.220 -7.778 7.008 378 2HG GLN 51 3HG GLN 51 1.212 -6.332 7.176 379 1HE2 GLN 51 1HE2 GLN 51 0.988 -9.377 6.124 380 2HE2 GLN 51 2HE2 GLN 51 -0.301 -9.144 5.024 381 H LEU 52 H LEU 52 3.922 -4.583 3.589 382 HA LEU 52 HA LEU 52 1.882 -4.400 1.713 383 1HB LEU 52 2HB LEU 52 4.692 -3.264 1.678 384 2HB LEU 52 3HB LEU 52 3.450 -2.770 0.526 385 HG LEU 52 HG LEU 52 2.882 -2.622 3.500 386 1HD1 LEU 52 1HD1 LEU 52 5.084 -1.402 2.813 387 2HD1 LEU 52 2HD1 LEU 52 4.011 -0.290 1.950 388 3HD1 LEU 52 3HD1 LEU 52 3.867 -0.512 3.710 389 1HD2 LEU 52 1HD2 LEU 52 1.225 -1.025 2.855 390 2HD2 LEU 52 2HD2 LEU 52 1.891 -0.869 1.212 391 3HD2 LEU 52 3HD2 LEU 52 1.076 -2.352 1.700 392 H ARG 53 H ARG 53 5.158 -5.848 1.318 393 HA ARG 53 HA ARG 53 5.021 -6.478 -1.380 394 1HB ARG 53 2HB ARG 53 6.725 -7.152 0.691 395 2HB ARG 53 3HB ARG 53 5.959 -8.704 0.412 396 1HG ARG 53 2HG ARG 53 7.904 -8.687 -0.920 397 2HG ARG 53 3HG ARG 53 6.581 -8.409 -2.077 398 1HD ARG 53 2HD ARG 53 7.038 -5.963 -1.989 399 2HD ARG 53 3HD ARG 53 8.269 -6.238 -0.733 400 HE ARG 53 HE ARG 53 8.982 -7.741 -3.034 401 1HH1 ARG 53 2HH2 ARG 53 8.607 -4.432 -1.896 402 2HH1 ARG 53 1HH2 ARG 53 9.647 -3.681 -3.024 403 1HH2 ARG 53 2HH1 ARG 53 10.585 -6.826 -4.538 404 2HH2 ARG 53 1HH1 ARG 53 10.889 -5.111 -4.495 405 H THR 54 H THR 54 3.750 -8.545 1.276 406 HA THR 54 HA THR 54 2.548 -10.436 -0.502 407 HB THR 54 HB THR 54 2.023 -9.873 2.451 408 HG1 THR 54 1HG THR 54 3.911 -11.490 1.079 409 1HG2 THR 54 1HG2 THR 54 1.534 -12.343 0.717 410 2HG2 THR 54 2HG2 THR 54 1.493 -12.324 2.494 411 3HG2 THR 54 3HG2 THR 54 0.314 -11.374 1.575 412 H ALA 55 H ALA 55 1.169 -7.724 1.418 413 HA ALA 55 HA ALA 55 -1.539 -8.122 0.674 414 1HB ALA 55 1HB ALA 55 -1.197 -6.671 2.467 415 2HB ALA 55 2HB ALA 55 0.040 -5.725 1.609 416 3HB ALA 55 3HB ALA 55 -1.671 -5.588 1.143 417 H ILE 56 H ILE 56 0.754 -5.696 -0.704 418 HA ILE 56 HA ILE 56 -0.747 -5.012 -2.978 419 HB ILE 56 HB ILE 56 2.273 -5.351 -2.824 420 1HG1 ILE 56 2HG1 ILE 56 1.301 -3.574 -1.308 421 2HG1 ILE 56 3HG1 ILE 56 2.465 -3.017 -2.500 422 1HG2 ILE 56 1HG2 ILE 56 0.486 -4.198 -4.940 423 2HG2 ILE 56 2HG2 ILE 56 2.224 -3.801 -4.828 424 3HG2 ILE 56 3HG2 ILE 56 1.726 -5.458 -5.136 425 1HD1 ILE 56 1HD1 ILE 56 0.560 -1.467 -2.332 426 2HD1 ILE 56 2HD1 ILE 56 0.664 -2.154 -3.948 427 3HD1 ILE 56 3HD1 ILE 56 -0.553 -2.763 -2.829 428 H ALA 57 H ALA 57 1.546 -7.841 -2.697 429 HA ALA 57 HA ALA 57 1.196 -8.746 -5.312 430 1HB ALA 57 1HB ALA 57 1.619 -10.441 -2.826 431 2HB ALA 57 2HB ALA 57 1.864 -10.961 -4.500 432 3HB ALA 57 3HB ALA 57 2.880 -9.678 -3.823 433 H SER 58 H SER 58 -1.112 -9.021 -2.633 434 HA SER 58 HA SER 58 -2.824 -10.997 -3.729 435 1HB SER 58 2HB SER 58 -2.925 -9.816 -1.425 436 2HB SER 58 3HB SER 58 -3.807 -8.523 -2.262 437 HG SER 58 HG SER 58 -4.540 -11.266 -2.170 438 H ALA 59 H ALA 59 -2.468 -7.524 -4.461 439 HA ALA 59 HA ALA 59 -4.702 -7.513 -6.398 440 1HB ALA 59 1HB ALA 59 -2.639 -5.392 -5.686 441 2HB ALA 59 2HB ALA 59 -4.072 -5.176 -6.714 442 3HB ALA 59 3HB ALA 59 -4.269 -5.528 -4.986 443 H GLY 60 H GLY 60 -1.142 -7.393 -6.309 444 1HA GLY 60 2HA GLY 60 0.371 -8.194 -7.903 445 2HA GLY 60 3HA GLY 60 -0.938 -8.437 -9.065 446 H HIS 61 H HIS 61 0.909 -5.880 -7.356 447 HA HIS 61 HA HIS 61 0.854 -4.202 -9.822 448 1HB HIS 61 2HB HIS 61 0.412 -3.396 -6.931 449 2HB HIS 61 3HB HIS 61 0.874 -2.234 -8.140 450 HD1 HIS 61 1HD HIS 61 -1.056 -2.691 -10.499 451 HD2 HIS 61 2HD HIS 61 -2.070 -3.217 -6.437 452 HE1 HIS 61 1HE HIS 61 -3.591 -2.561 -10.367 453 H GLU 62 H GLU 62 2.716 -3.010 -10.213 454 HA GLU 62 HA GLU 62 5.155 -4.239 -9.195 455 1HB GLU 62 2HB GLU 62 4.722 -2.069 -11.305 456 2HB GLU 62 3HB GLU 62 6.192 -3.015 -11.022 457 1HG GLU 62 2HG GLU 62 3.516 -4.129 -12.007 458 2HG GLU 62 3HG GLU 62 4.989 -3.900 -12.954 459 H VAL 63 H VAL 63 4.208 -3.181 -7.090 460 HA VAL 63 HA VAL 63 5.140 -0.404 -6.710 461 HB VAL 63 HB VAL 63 4.019 -2.363 -4.669 462 1HG1 VAL 63 1HG1 VAL 63 4.343 0.664 -4.525 463 2HG1 VAL 63 2HG1 VAL 63 3.607 -0.379 -3.297 464 3HG1 VAL 63 3HG1 VAL 63 5.332 -0.524 -3.648 465 1HG2 VAL 63 1HG2 VAL 63 2.775 -0.323 -6.531 466 2HG2 VAL 63 2HG2 VAL 63 2.267 -1.984 -6.235 467 3HG2 VAL 63 3HG2 VAL 63 1.979 -0.732 -5.008 468 H GLU 64 H GLU 64 7.080 0.140 -5.775 469 HA GLU 64 HA GLU 64 9.091 -2.009 -5.700 470 1HB GLU 64 2HB GLU 64 9.426 0.300 -6.777 471 2HB GLU 64 3HB GLU 64 9.487 0.941 -5.120 472 1HG GLU 64 2HG GLU 64 11.399 -0.604 -4.640 473 2HG GLU 64 3HG GLU 64 11.330 -1.183 -6.310 Start of MODEL 11 1 1H MET 1 H1 MET 1 11.446 4.460 10.965 2 2H MET 1 H2 MET 1 13.036 4.892 11.064 3 3H MET 1 H3 MET 1 11.904 5.994 10.582 4 HA MET 1 HA MET 1 13.161 5.261 8.736 5 1HB MET 1 2HB MET 1 12.267 2.530 9.703 6 2HB MET 1 3HB MET 1 12.587 2.829 7.988 7 1HG MET 1 2HG MET 1 14.835 3.662 8.496 8 2HG MET 1 3HG MET 1 14.598 3.315 10.218 9 1HE MET 1 1HE MET 1 16.987 2.066 10.012 10 2HE MET 1 2HE MET 1 17.274 0.728 8.874 11 3HE MET 1 3HE MET 1 17.019 2.374 8.256 12 H THR 2 H THR 2 10.072 3.498 9.264 13 HA THR 2 HA THR 2 8.114 3.527 8.278 14 HB THR 2 HB THR 2 7.015 5.381 7.377 15 HG1 THR 2 1HG THR 2 8.053 7.296 6.811 16 1HG2 THR 2 1HG2 THR 2 7.226 7.066 9.076 17 2HG2 THR 2 2HG2 THR 2 7.503 5.483 9.826 18 3HG2 THR 2 3HG2 THR 2 8.877 6.557 9.474 19 H ILE 3 H ILE 3 7.079 3.593 5.970 20 HA ILE 3 HA ILE 3 9.105 2.424 4.086 21 HB ILE 3 HB ILE 3 6.168 1.865 4.639 22 1HG1 ILE 3 2HG1 ILE 3 6.918 -0.456 4.837 23 2HG1 ILE 3 3HG1 ILE 3 8.611 0.046 4.708 24 1HG2 ILE 3 1HG2 ILE 3 6.386 0.175 2.753 25 2HG2 ILE 3 2HG2 ILE 3 6.335 1.862 2.267 26 3HG2 ILE 3 3HG2 ILE 3 7.893 0.984 2.301 27 1HD1 ILE 3 1HD1 ILE 3 8.497 1.098 6.884 28 2HD1 ILE 3 2HD1 ILE 3 6.713 1.016 6.904 29 3HD1 ILE 3 3HD1 ILE 3 7.693 -0.455 7.050 30 H GLN 4 H GLN 4 9.151 3.296 2.030 31 HA GLN 4 HA GLN 4 6.973 5.092 1.122 32 1HB GLN 4 2HB GLN 4 9.851 5.781 1.499 33 2HB GLN 4 3HB GLN 4 9.206 6.152 -0.107 34 1HG GLN 4 2HG GLN 4 7.417 7.451 0.774 35 2HG GLN 4 3HG GLN 4 7.787 6.977 2.436 36 1HE2 GLN 4 1HE2 GLN 4 9.648 8.319 -0.389 37 2HE2 GLN 4 2HE2 GLN 4 10.362 9.623 0.544 38 H LEU 5 H LEU 5 6.065 3.855 -0.431 39 HA LEU 5 HA LEU 5 7.862 2.620 -2.503 40 1HB LEU 5 2HB LEU 5 5.045 1.782 -1.757 41 2HB LEU 5 3HB LEU 5 6.147 0.951 -2.851 42 HG LEU 5 HG LEU 5 6.617 1.319 0.143 43 1HD1 LEU 5 1HD1 LEU 5 5.596 -1.088 -1.369 44 2HD1 LEU 5 2HD1 LEU 5 6.012 -1.032 0.362 45 3HD1 LEU 5 3HD1 LEU 5 4.673 -0.041 -0.254 46 1HD2 LEU 5 1HD2 LEU 5 8.067 -0.348 -1.948 47 2HD2 LEU 5 2HD2 LEU 5 8.697 1.065 -1.067 48 3HD2 LEU 5 3HD2 LEU 5 8.347 -0.432 -0.192 49 H THR 6 H THR 6 6.821 2.499 -4.679 50 HA THR 6 HA THR 6 4.902 4.685 -5.204 51 HB THR 6 HB THR 6 7.718 4.499 -6.146 52 HG1 THR 6 1HG THR 6 5.753 6.546 -6.006 53 1HG2 THR 6 1HG2 THR 6 7.253 5.700 -8.246 54 2HG2 THR 6 2HG2 THR 6 6.716 4.020 -8.307 55 3HG2 THR 6 3HG2 THR 6 5.524 5.327 -8.097 56 H VAL 7 H VAL 7 3.295 4.150 -6.369 57 HA VAL 7 HA VAL 7 3.173 1.447 -7.644 58 HB VAL 7 HB VAL 7 1.882 1.403 -5.769 59 1HG1 VAL 7 1HG1 VAL 7 0.772 4.151 -6.389 60 2HG1 VAL 7 2HG1 VAL 7 0.088 3.037 -5.185 61 3HG1 VAL 7 3HG1 VAL 7 1.730 3.644 -4.988 62 1HG2 VAL 7 1HG2 VAL 7 0.799 0.567 -7.847 63 2HG2 VAL 7 2HG2 VAL 7 -0.283 0.928 -6.489 64 3HG2 VAL 7 3HG2 VAL 7 -0.181 2.049 -7.846 65 HA PRO 8 HA PRO 8 2.862 4.639 -10.897 66 1HB PRO 8 2HB PRO 8 3.855 3.190 -13.020 67 2HB PRO 8 3HB PRO 8 4.907 3.955 -11.788 68 1HG PRO 8 2HG PRO 8 3.946 1.085 -11.846 69 2HG PRO 8 3HG PRO 8 5.619 1.674 -11.630 70 1HD PRO 8 2HD PRO 8 4.087 1.010 -9.519 71 2HD PRO 8 3HD PRO 8 5.161 2.432 -9.430 72 H THR 9 H THR 9 1.658 1.334 -10.776 73 HA THR 9 HA THR 9 -0.454 1.980 -12.707 74 HB THR 9 HB THR 9 0.879 -0.168 -12.662 75 HG1 THR 9 1HG THR 9 -1.002 -1.269 -13.399 76 1HG2 THR 9 1HG2 THR 9 -1.163 -1.018 -10.574 77 2HG2 THR 9 2HG2 THR 9 -0.030 -2.026 -11.440 78 3HG2 THR 9 3HG2 THR 9 0.584 -0.807 -10.285 79 H ILE 10 H ILE 10 -0.290 3.319 -9.852 80 HA ILE 10 HA ILE 10 -2.542 2.791 -8.541 81 HB ILE 10 HB ILE 10 -0.853 5.048 -8.945 82 1HG1 ILE 10 2HG1 ILE 10 -3.158 4.449 -7.121 83 2HG1 ILE 10 3HG1 ILE 10 -1.465 4.009 -6.889 84 1HG2 ILE 10 1HG2 ILE 10 -2.234 6.982 -9.084 85 2HG2 ILE 10 2HG2 ILE 10 -2.579 5.985 -10.499 86 3HG2 ILE 10 3HG2 ILE 10 -3.720 6.013 -9.131 87 1HD1 ILE 10 1HD1 ILE 10 -2.537 6.860 -6.826 88 2HD1 ILE 10 2HD1 ILE 10 -2.055 5.882 -5.428 89 3HD1 ILE 10 3HD1 ILE 10 -0.845 6.367 -6.625 90 H ALA 11 H ALA 11 -4.725 3.473 -8.555 91 HA ALA 11 HA ALA 11 -6.811 3.601 -9.370 92 1HB ALA 11 1HB ALA 11 -7.291 5.121 -11.181 93 2HB ALA 11 2HB ALA 11 -6.002 5.805 -10.177 94 3HB ALA 11 3HB ALA 11 -5.616 5.071 -11.751 95 H CYS 12 H CYS 12 -4.926 1.334 -10.310 96 HA CYS 12 HA CYS 12 -6.716 0.269 -12.465 97 1HB CYS 12 2HB CYS 12 -4.348 0.847 -13.086 98 2HB CYS 12 3HB CYS 12 -3.798 -0.371 -11.929 99 HG CYS 12 HG CYS 12 -5.103 -2.373 -13.036 100 H GLU 13 H GLU 13 -6.526 0.089 -9.261 101 HA GLU 13 HA GLU 13 -7.584 -2.594 -9.180 102 1HB GLU 13 2HB GLU 13 -4.831 -2.517 -8.898 103 2HB GLU 13 3HB GLU 13 -5.337 -2.370 -7.213 104 1HG GLU 13 2HG GLU 13 -6.196 -4.548 -9.153 105 2HG GLU 13 3HG GLU 13 -4.993 -4.701 -7.868 106 H ALA 14 H ALA 14 -9.334 -1.199 -8.650 107 HA ALA 14 HA ALA 14 -10.691 0.149 -7.389 108 1HB ALA 14 1HB ALA 14 -11.222 -0.913 -5.240 109 2HB ALA 14 2HB ALA 14 -10.956 -2.125 -6.505 110 3HB ALA 14 3HB ALA 14 -9.695 -1.820 -5.297 111 H CYS 15 H CYS 15 -8.207 1.448 -7.622 112 HA CYS 15 HA CYS 15 -6.973 3.133 -6.886 113 1HB CYS 15 2HB CYS 15 -9.178 3.480 -4.823 114 2HB CYS 15 3HB CYS 15 -7.626 4.296 -4.618 115 HG CYS 15 HG CYS 15 -9.617 4.374 -7.215 116 H ALA 16 H ALA 16 -5.157 3.467 -5.655 117 HA ALA 16 HA ALA 16 -3.870 1.206 -4.670 118 1HB ALA 16 1HB ALA 16 -2.618 3.158 -5.233 119 2HB ALA 16 2HB ALA 16 -3.389 4.125 -3.949 120 3HB ALA 16 3HB ALA 16 -2.286 2.789 -3.541 121 H GLU 17 H GLU 17 -6.081 3.339 -2.861 122 HA GLU 17 HA GLU 17 -5.321 2.531 -0.296 123 1HB GLU 17 2HB GLU 17 -7.384 3.286 0.526 124 2HB GLU 17 3HB GLU 17 -6.869 4.418 -0.725 125 1HG GLU 17 2HG GLU 17 -8.544 3.557 -2.263 126 2HG GLU 17 3HG GLU 17 -8.920 2.194 -1.200 127 H ALA 18 H ALA 18 -6.996 0.664 -2.761 128 HA ALA 18 HA ALA 18 -8.131 -1.447 -1.388 129 1HB ALA 18 1HB ALA 18 -7.332 -2.836 -3.271 130 2HB ALA 18 2HB ALA 18 -7.944 -1.268 -3.836 131 3HB ALA 18 3HB ALA 18 -6.199 -1.554 -3.751 132 H VAL 19 H VAL 19 -4.568 -0.913 -1.953 133 HA VAL 19 HA VAL 19 -3.910 -3.313 -0.522 134 HB VAL 19 HB VAL 19 -2.379 -2.102 -2.161 135 1HG1 VAL 19 1HG1 VAL 19 -1.375 -0.750 0.398 136 2HG1 VAL 19 2HG1 VAL 19 -0.663 -0.675 -1.217 137 3HG1 VAL 19 3HG1 VAL 19 -2.210 0.120 -0.906 138 1HG2 VAL 19 1HG2 VAL 19 -1.880 -4.165 -0.911 139 2HG2 VAL 19 2HG2 VAL 19 -0.462 -3.114 -0.934 140 3HG2 VAL 19 3HG2 VAL 19 -1.434 -3.223 0.525 141 H THR 20 H THR 20 -4.065 0.160 0.402 142 HA THR 20 HA THR 20 -3.176 0.008 3.029 143 HB THR 20 HB THR 20 -5.379 1.727 1.807 144 HG1 THR 20 1HG THR 20 -3.703 3.035 1.299 145 1HG2 THR 20 1HG2 THR 20 -3.892 2.028 4.381 146 2HG2 THR 20 2HG2 THR 20 -4.727 3.366 3.550 147 3HG2 THR 20 3HG2 THR 20 -5.644 1.966 4.134 148 H LYS 21 H LYS 21 -6.496 -0.551 1.798 149 HA LYS 21 HA LYS 21 -7.699 -0.987 4.351 150 1HB LYS 21 2HB LYS 21 -8.605 -2.144 1.699 151 2HB LYS 21 3HB LYS 21 -9.595 -1.817 3.119 152 1HG LYS 21 2HG LYS 21 -8.278 0.661 2.192 153 2HG LYS 21 3HG LYS 21 -9.078 -0.164 0.863 154 1HD LYS 21 2HD LYS 21 -10.560 1.396 1.723 155 2HD LYS 21 3HD LYS 21 -11.202 -0.179 2.196 156 1HE LYS 21 2HE LYS 21 -10.910 0.251 4.455 157 2HE LYS 21 3HE LYS 21 -9.348 1.037 4.208 158 1HZ LYS 21 1HZ LYS 21 -10.931 2.615 4.968 159 2HZ LYS 21 2HZ LYS 21 -10.491 2.991 3.418 160 3HZ LYS 21 3HZ LYS 21 -11.951 2.301 3.713 161 H ALA 22 H ALA 22 -6.213 -3.175 1.909 162 HA ALA 22 HA ALA 22 -6.793 -5.614 3.276 163 1HB ALA 22 1HB ALA 22 -4.997 -6.574 1.930 164 2HB ALA 22 2HB ALA 22 -6.027 -5.515 0.936 165 3HB ALA 22 3HB ALA 22 -4.430 -4.957 1.481 166 H VAL 23 H VAL 23 -3.889 -3.554 3.332 167 HA VAL 23 HA VAL 23 -2.298 -5.028 5.120 168 HB VAL 23 HB VAL 23 -2.422 -2.031 4.580 169 1HG1 VAL 23 1HG1 VAL 23 -0.020 -2.010 5.188 170 2HG1 VAL 23 2HG1 VAL 23 -1.043 -2.425 6.582 171 3HG1 VAL 23 3HG1 VAL 23 -0.135 -3.691 5.714 172 1HG2 VAL 23 1HG2 VAL 23 -1.091 -2.316 2.755 173 2HG2 VAL 23 2HG2 VAL 23 -0.274 -3.752 3.390 174 3HG2 VAL 23 3HG2 VAL 23 -1.870 -3.907 2.679 175 H GLN 24 H GLN 24 -4.685 -2.423 5.683 176 HA GLN 24 HA GLN 24 -4.439 -2.325 8.522 177 1HB GLN 24 2HB GLN 24 -6.681 -1.573 6.629 178 2HB GLN 24 3HB GLN 24 -6.710 -1.201 8.350 179 1HG GLN 24 2HG GLN 24 -4.262 -0.339 6.804 180 2HG GLN 24 3HG GLN 24 -5.767 0.515 6.508 181 1HE2 GLN 24 1HE2 GLN 24 -3.034 0.600 8.375 182 2HE2 GLN 24 2HE2 GLN 24 -3.656 1.604 9.670 183 H ASN 25 H ASN 25 -5.748 -4.956 6.648 184 HA ASN 25 HA ASN 25 -7.691 -5.784 8.669 185 1HB ASN 25 2HB ASN 25 -6.129 -7.453 6.648 186 2HB ASN 25 3HB ASN 25 -7.419 -8.035 7.692 187 1HD2 ASN 25 1HD2 ASN 25 -7.213 -7.874 4.687 188 2HD2 ASN 25 2HD2 ASN 25 -8.702 -7.055 4.230 189 H GLU 26 H GLU 26 -4.343 -6.791 7.868 190 HA GLU 26 HA GLU 26 -3.964 -8.213 10.373 191 1HB GLU 26 2HB GLU 26 -2.017 -7.353 8.187 192 2HB GLU 26 3HB GLU 26 -1.645 -8.470 9.509 193 1HG GLU 26 2HG GLU 26 -3.882 -9.035 7.499 194 2HG GLU 26 3HG GLU 26 -2.212 -9.531 7.245 195 H ASP 27 H ASP 27 -2.374 -5.345 8.903 196 HA ASP 27 HA ASP 27 -1.162 -4.658 11.486 197 1HB ASP 27 2HB ASP 27 0.023 -4.718 9.194 198 2HB ASP 27 3HB ASP 27 -0.815 -3.219 8.813 199 H ALA 28 H ALA 28 -3.618 -4.449 12.032 200 HA ALA 28 HA ALA 28 -5.180 -2.310 10.944 201 1HB ALA 28 1HB ALA 28 -6.140 -4.319 12.037 202 2HB ALA 28 2HB ALA 28 -5.466 -3.798 13.597 203 3HB ALA 28 3HB ALA 28 -6.726 -2.827 12.800 204 H GLN 29 H GLN 29 -2.834 -2.445 13.432 205 HA GLN 29 HA GLN 29 -3.477 0.144 14.633 206 1HB GLN 29 2HB GLN 29 -1.431 -0.351 15.951 207 2HB GLN 29 3HB GLN 29 -2.710 -1.552 16.107 208 1HG GLN 29 2HG GLN 29 -1.500 -3.137 14.722 209 2HG GLN 29 3HG GLN 29 -0.337 -1.889 14.227 210 1HE2 GLN 29 1HE2 GLN 29 1.366 -3.314 14.971 211 2HE2 GLN 29 2HE2 GLN 29 1.686 -3.468 16.696 212 H ALA 30 H ALA 30 -2.149 -0.558 11.627 213 HA ALA 30 HA ALA 30 0.205 1.118 11.781 214 1HB ALA 30 1HB ALA 30 -1.401 0.080 9.405 215 2HB ALA 30 2HB ALA 30 0.179 0.863 9.298 216 3HB ALA 30 3HB ALA 30 0.004 -0.686 10.140 217 H THR 31 H THR 31 0.540 3.112 10.683 218 HA THR 31 HA THR 31 -1.904 4.739 10.085 219 HB THR 31 HB THR 31 0.890 5.553 10.936 220 HG1 THR 31 1HG THR 31 -0.684 4.786 12.500 221 1HG2 THR 31 1HG2 THR 31 -1.506 7.233 10.061 222 2HG2 THR 31 2HG2 THR 31 -0.130 7.875 10.982 223 3HG2 THR 31 3HG2 THR 31 0.128 7.235 9.348 224 H VAL 32 H VAL 32 -2.016 5.636 8.035 225 HA VAL 32 HA VAL 32 -0.097 4.618 6.002 226 HB VAL 32 HB VAL 32 -2.016 3.970 4.646 227 1HG1 VAL 32 1HG1 VAL 32 -0.903 2.525 6.677 228 2HG1 VAL 32 2HG1 VAL 32 -2.593 2.529 7.190 229 3HG1 VAL 32 3HG1 VAL 32 -2.133 1.883 5.604 230 1HG2 VAL 32 1HG2 VAL 32 -3.686 4.826 7.067 231 2HG2 VAL 32 2HG2 VAL 32 -3.818 5.395 5.392 232 3HG2 VAL 32 3HG2 VAL 32 -4.294 3.752 5.825 233 H GLN 33 H GLN 33 0.380 6.162 4.368 234 HA GLN 33 HA GLN 33 -1.461 8.479 4.032 235 1HB GLN 33 2HB GLN 33 1.541 8.589 4.558 236 2HB GLN 33 3HB GLN 33 0.554 9.946 3.989 237 1HG GLN 33 2HG GLN 33 -0.827 9.803 6.063 238 2HG GLN 33 3HG GLN 33 0.174 8.461 6.634 239 1HE2 GLN 33 1HE2 GLN 33 0.221 11.960 5.925 240 2HE2 GLN 33 2HE2 GLN 33 1.637 12.263 6.916 241 H VAL 34 H VAL 34 -2.128 8.066 1.964 242 HA VAL 34 HA VAL 34 -0.072 7.368 -0.075 243 HB VAL 34 HB VAL 34 -1.630 5.540 0.312 244 1HG1 VAL 34 1HG1 VAL 34 -3.652 6.826 1.026 245 2HG1 VAL 34 2HG1 VAL 34 -3.885 7.332 -0.663 246 3HG1 VAL 34 3HG1 VAL 34 -3.964 5.621 -0.230 247 1HG2 VAL 34 1HG2 VAL 34 -2.220 5.152 -2.005 248 2HG2 VAL 34 2HG2 VAL 34 -2.119 6.884 -2.380 249 3HG2 VAL 34 3HG2 VAL 34 -0.656 5.983 -1.946 250 H ASP 35 H ASP 35 0.282 8.820 -1.657 251 HA ASP 35 HA ASP 35 -1.606 11.145 -1.837 252 1HB ASP 35 2HB ASP 35 1.292 10.831 -2.374 253 2HB ASP 35 3HB ASP 35 0.400 11.765 -3.566 254 H LEU 36 H LEU 36 -3.255 9.882 -2.722 255 HA LEU 36 HA LEU 36 -3.184 8.753 -5.361 256 1HB LEU 36 2HB LEU 36 -5.290 10.092 -3.651 257 2HB LEU 36 3HB LEU 36 -5.650 9.732 -5.340 258 HG LEU 36 HG LEU 36 -4.539 7.554 -3.547 259 1HD1 LEU 36 1HD1 LEU 36 -6.498 8.436 -2.354 260 2HD1 LEU 36 2HD1 LEU 36 -7.471 8.339 -3.839 261 3HD1 LEU 36 3HD1 LEU 36 -6.869 6.857 -3.068 262 1HD2 LEU 36 1HD2 LEU 36 -6.422 7.508 -5.960 263 2HD2 LEU 36 2HD2 LEU 36 -4.683 7.197 -6.047 264 3HD2 LEU 36 3HD2 LEU 36 -5.729 6.096 -5.138 265 H THR 37 H THR 37 -2.985 12.087 -4.183 266 HA THR 37 HA THR 37 -3.268 13.679 -6.351 267 HB THR 37 HB THR 37 -0.779 13.740 -4.619 268 HG1 THR 37 1HG THR 37 -1.839 13.875 -2.850 269 1HG2 THR 37 1HG2 THR 37 -1.243 15.653 -6.131 270 2HG2 THR 37 2HG2 THR 37 -2.825 15.881 -5.354 271 3HG2 THR 37 3HG2 THR 37 -1.331 16.125 -4.424 272 H SER 38 H SER 38 -0.790 11.154 -5.891 273 HA SER 38 HA SER 38 0.262 11.649 -8.588 274 1HB SER 38 2HB SER 38 2.041 11.803 -6.111 275 2HB SER 38 3HB SER 38 2.584 11.845 -7.810 276 HG SER 38 HG SER 38 0.736 13.672 -7.635 277 H LYS 39 H LYS 39 2.459 9.822 -6.769 278 HA LYS 39 HA LYS 39 1.083 7.284 -7.015 279 1HB LYS 39 2HB LYS 39 2.618 6.413 -8.810 280 2HB LYS 39 3HB LYS 39 1.377 7.554 -9.299 281 1HG LYS 39 2HG LYS 39 3.202 9.397 -9.129 282 2HG LYS 39 3HG LYS 39 4.371 8.079 -9.069 283 1HD LYS 39 2HD LYS 39 2.226 8.213 -11.232 284 2HD LYS 39 3HD LYS 39 3.624 9.279 -11.339 285 1HE LYS 39 2HE LYS 39 5.164 7.569 -11.651 286 2HE LYS 39 3HE LYS 39 4.152 6.349 -10.896 287 1HZ LYS 39 1HZ LYS 39 2.721 6.384 -12.824 288 2HZ LYS 39 2HZ LYS 39 3.599 7.596 -13.515 289 3HZ LYS 39 3HZ LYS 39 4.269 6.114 -13.301 290 H LYS 40 H LYS 40 2.045 8.377 -4.761 291 HA LYS 40 HA LYS 40 4.263 6.533 -4.171 292 1HB LYS 40 2HB LYS 40 5.412 8.095 -2.800 293 2HB LYS 40 3HB LYS 40 5.179 8.837 -4.380 294 1HG LYS 40 2HG LYS 40 4.602 10.608 -3.004 295 2HG LYS 40 3HG LYS 40 3.044 9.907 -3.346 296 1HD LYS 40 2HD LYS 40 2.670 9.743 -1.126 297 2HD LYS 40 3HD LYS 40 3.904 8.509 -1.009 298 1HE LYS 40 2HE LYS 40 4.424 11.510 -0.788 299 2HE LYS 40 3HE LYS 40 4.181 10.418 0.582 300 1HZ LYS 40 1HZ LYS 40 6.516 10.792 0.073 301 2HZ LYS 40 2HZ LYS 40 6.074 9.208 0.027 302 3HZ LYS 40 3HZ LYS 40 6.328 10.044 -1.384 303 H VAL 41 H VAL 41 4.080 5.589 -2.130 304 HA VAL 41 HA VAL 41 1.743 6.322 -0.498 305 HB VAL 41 HB VAL 41 1.009 4.363 -1.766 306 1HG1 VAL 41 1HG1 VAL 41 3.430 2.920 -0.623 307 2HG1 VAL 41 2HG1 VAL 41 2.106 2.179 -1.539 308 3HG1 VAL 41 3HG1 VAL 41 3.178 3.340 -2.337 309 1HG2 VAL 41 1HG2 VAL 41 1.720 3.515 1.069 310 2HG2 VAL 41 2HG2 VAL 41 0.421 4.654 0.683 311 3HG2 VAL 41 3HG2 VAL 41 0.341 2.983 0.091 312 H THR 42 H THR 42 2.196 6.264 1.695 313 HA THR 42 HA THR 42 4.916 5.428 2.430 314 HB THR 42 HB THR 42 3.544 8.092 3.011 315 HG1 THR 42 1HG THR 42 5.311 7.115 1.192 316 1HG2 THR 42 1HG2 THR 42 4.765 7.451 5.012 317 2HG2 THR 42 2HG2 THR 42 6.188 6.991 4.067 318 3HG2 THR 42 3HG2 THR 42 5.690 8.693 4.154 319 H ILE 43 H ILE 43 4.817 4.072 4.137 320 HA ILE 43 HA ILE 43 2.262 3.957 5.715 321 HB ILE 43 HB ILE 43 3.996 1.638 4.832 322 1HG1 ILE 43 2HG1 ILE 43 2.767 2.356 2.913 323 2HG1 ILE 43 3HG1 ILE 43 2.018 0.903 3.547 324 1HG2 ILE 43 1HG2 ILE 43 2.144 0.242 5.792 325 2HG2 ILE 43 2HG2 ILE 43 3.116 1.111 6.981 326 3HG2 ILE 43 3HG2 ILE 43 1.502 1.715 6.555 327 1HD1 ILE 43 1HD1 ILE 43 0.907 3.701 3.806 328 2HD1 ILE 43 2HD1 ILE 43 0.268 2.338 2.881 329 3HD1 ILE 43 3HD1 ILE 43 0.256 2.274 4.647 330 H THR 44 H THR 44 2.442 3.912 7.847 331 HA THR 44 HA THR 44 5.150 3.923 9.105 332 HB THR 44 HB THR 44 2.680 5.588 9.687 333 HG1 THR 44 1HG THR 44 3.895 7.249 8.870 334 1HG2 THR 44 1HG2 THR 44 5.450 5.703 10.970 335 2HG2 THR 44 2HG2 THR 44 4.094 6.798 11.302 336 3HG2 THR 44 3HG2 THR 44 3.986 5.093 11.770 337 H SER 45 H SER 45 5.009 1.679 9.509 338 HA SER 45 HA SER 45 3.661 1.178 12.022 339 1HB SER 45 2HB SER 45 2.755 -0.977 11.427 340 2HB SER 45 3HB SER 45 2.177 0.126 10.194 341 HG SER 45 HG SER 45 3.010 -1.827 9.409 342 H ALA 46 H ALA 46 4.614 -1.218 12.605 343 HA ALA 46 HA ALA 46 7.530 -0.961 12.454 344 1HB ALA 46 1HB ALA 46 7.512 -2.883 13.977 345 2HB ALA 46 2HB ALA 46 6.453 -1.583 14.561 346 3HB ALA 46 3HB ALA 46 5.749 -3.030 13.798 347 H LEU 47 H LEU 47 4.960 -3.012 10.995 348 HA LEU 47 HA LEU 47 7.118 -4.726 9.791 349 1HB LEU 47 2HB LEU 47 5.700 -6.524 9.719 350 2HB LEU 47 3HB LEU 47 5.592 -5.907 11.357 351 HG LEU 47 HG LEU 47 3.485 -4.901 9.438 352 1HD1 LEU 47 1HD1 LEU 47 3.492 -7.785 10.395 353 2HD1 LEU 47 2HD1 LEU 47 2.189 -6.951 9.516 354 3HD1 LEU 47 3HD1 LEU 47 3.738 -7.258 8.717 355 1HD2 LEU 47 1HD2 LEU 47 3.402 -4.306 11.819 356 2HD2 LEU 47 2HD2 LEU 47 2.026 -5.326 11.368 357 3HD2 LEU 47 3HD2 LEU 47 3.384 -6.029 12.264 358 H GLY 48 H GLY 48 5.515 -2.116 8.916 359 1HA GLY 48 2HA GLY 48 3.722 -2.493 7.004 360 2HA GLY 48 3HA GLY 48 4.924 -1.191 6.914 361 H GLU 49 H GLU 49 7.248 -2.402 6.336 362 HA GLU 49 HA GLU 49 7.104 -2.692 3.577 363 1HB GLU 49 2HB GLU 49 9.091 -2.172 5.196 364 2HB GLU 49 3HB GLU 49 9.345 -3.913 5.236 365 1HG GLU 49 2HG GLU 49 9.535 -3.907 2.731 366 2HG GLU 49 3HG GLU 49 9.274 -2.152 2.733 367 H GLU 50 H GLU 50 7.531 -5.248 6.029 368 HA GLU 50 HA GLU 50 7.622 -7.472 4.307 369 1HB GLU 50 2HB GLU 50 8.066 -7.015 6.970 370 2HB GLU 50 3HB GLU 50 6.465 -7.745 7.086 371 1HG GLU 50 2HG GLU 50 7.355 -9.680 5.732 372 2HG GLU 50 3HG GLU 50 8.945 -8.883 5.748 373 H GLN 51 H GLN 51 4.930 -6.044 6.180 374 HA GLN 51 HA GLN 51 2.930 -7.862 5.393 375 1HB GLN 51 2HB GLN 51 3.016 -5.804 7.133 376 2HB GLN 51 3HB GLN 51 2.222 -4.940 5.838 377 1HG GLN 51 2HG GLN 51 1.309 -7.589 7.067 378 2HG GLN 51 3HG GLN 51 0.659 -5.996 7.470 379 1HE2 GLN 51 1HE2 GLN 51 -0.931 -8.205 6.487 380 2HE2 GLN 51 2HE2 GLN 51 -1.597 -7.673 4.958 381 H LEU 52 H LEU 52 3.642 -4.627 4.089 382 HA LEU 52 HA LEU 52 1.893 -4.547 1.977 383 1HB LEU 52 2HB LEU 52 4.664 -3.359 2.328 384 2HB LEU 52 3HB LEU 52 3.637 -2.910 0.975 385 HG LEU 52 HG LEU 52 2.589 -2.656 3.797 386 1HD1 LEU 52 1HD1 LEU 52 3.559 -0.561 4.084 387 2HD1 LEU 52 2HD1 LEU 52 4.884 -1.460 3.380 388 3HD1 LEU 52 3HD1 LEU 52 3.952 -0.362 2.355 389 1HD2 LEU 52 1HD2 LEU 52 1.062 -2.475 1.767 390 2HD2 LEU 52 2HD2 LEU 52 1.092 -1.043 2.803 391 3HD2 LEU 52 3HD2 LEU 52 1.988 -1.056 1.267 392 H ARG 53 H ARG 53 5.255 -5.811 2.006 393 HA ARG 53 HA ARG 53 5.638 -6.466 -0.626 394 1HB ARG 53 2HB ARG 53 7.021 -7.032 1.626 395 2HB ARG 53 3HB ARG 53 6.226 -8.585 1.459 396 1HG ARG 53 2HG ARG 53 8.295 -8.822 0.417 397 2HG ARG 53 3HG ARG 53 7.161 -8.651 -0.932 398 1HD ARG 53 2HD ARG 53 7.848 -6.210 -1.128 399 2HD ARG 53 3HD ARG 53 8.820 -6.391 0.321 400 HE ARG 53 HE ARG 53 10.515 -7.286 -0.844 401 1HH1 ARG 53 2HH2 ARG 53 7.617 -7.524 -2.820 402 2HH1 ARG 53 1HH2 ARG 53 8.427 -8.026 -4.273 403 1HH2 ARG 53 2HH1 ARG 53 11.648 -8.007 -2.725 404 2HH2 ARG 53 1HH1 ARG 53 10.791 -8.334 -4.197 405 H THR 54 H THR 54 3.743 -8.307 1.764 406 HA THR 54 HA THR 54 2.887 -10.310 -0.179 407 HB THR 54 HB THR 54 1.798 -9.822 2.621 408 HG1 THR 54 1HG THR 54 4.026 -10.131 2.731 409 1HG2 THR 54 1HG2 THR 54 0.439 -11.353 1.230 410 2HG2 THR 54 2HG2 THR 54 1.898 -12.264 0.782 411 3HG2 THR 54 3HG2 THR 54 1.329 -12.267 2.461 412 H ALA 55 H ALA 55 1.265 -7.603 1.600 413 HA ALA 55 HA ALA 55 -1.280 -8.141 0.535 414 1HB ALA 55 1HB ALA 55 -1.906 -5.899 1.305 415 2HB ALA 55 2HB ALA 55 -0.985 -6.811 2.512 416 3HB ALA 55 3HB ALA 55 -0.192 -5.514 1.582 417 H ILE 56 H ILE 56 1.099 -5.699 -0.583 418 HA ILE 56 HA ILE 56 -0.275 -4.718 -2.846 419 HB ILE 56 HB ILE 56 2.706 -5.309 -2.594 420 1HG1 ILE 56 2HG1 ILE 56 1.265 -2.646 -2.182 421 2HG1 ILE 56 3HG1 ILE 56 1.703 -3.702 -0.832 422 1HG2 ILE 56 1HG2 ILE 56 1.222 -3.352 -4.381 423 2HG2 ILE 56 2HG2 ILE 56 2.981 -3.662 -4.376 424 3HG2 ILE 56 3HG2 ILE 56 1.890 -4.893 -4.967 425 1HD1 ILE 56 1HD1 ILE 56 3.647 -2.377 -2.756 426 2HD1 ILE 56 2HD1 ILE 56 3.322 -1.958 -1.078 427 3HD1 ILE 56 3HD1 ILE 56 4.088 -3.518 -1.462 428 H ALA 57 H ALA 57 1.724 -7.702 -2.584 429 HA ALA 57 HA ALA 57 1.370 -8.449 -5.338 430 1HB ALA 57 1HB ALA 57 2.180 -10.681 -4.574 431 2HB ALA 57 2HB ALA 57 3.229 -9.341 -4.060 432 3HB ALA 57 3HB ALA 57 2.133 -10.113 -2.894 433 H SER 58 H SER 58 -0.471 -9.116 -2.370 434 HA SER 58 HA SER 58 -2.408 -10.895 -3.597 435 1HB SER 58 2HB SER 58 -1.885 -10.881 -1.160 436 2HB SER 58 3HB SER 58 -2.586 -9.251 -1.046 437 HG SER 58 HG SER 58 -4.534 -10.109 -1.814 438 H ALA 59 H ALA 59 -2.227 -8.886 -5.369 439 HA ALA 59 HA ALA 59 -4.846 -7.871 -5.771 440 1HB ALA 59 1HB ALA 59 -2.726 -5.880 -4.837 441 2HB ALA 59 2HB ALA 59 -4.224 -5.429 -5.674 442 3HB ALA 59 3HB ALA 59 -4.299 -6.189 -4.074 443 H GLY 60 H GLY 60 -1.370 -7.069 -6.242 444 1HA GLY 60 2HA GLY 60 -0.116 -7.875 -8.095 445 2HA GLY 60 3HA GLY 60 -1.574 -7.994 -9.083 446 H HIS 61 H HIS 61 0.317 -5.558 -7.262 447 HA HIS 61 HA HIS 61 -0.202 -3.540 -9.419 448 1HB HIS 61 2HB HIS 61 0.678 -3.294 -6.544 449 2HB HIS 61 3HB HIS 61 0.805 -1.971 -7.712 450 HD1 HIS 61 1HD HIS 61 -1.520 -0.882 -8.579 451 HD2 HIS 61 2HD HIS 61 -1.570 -3.453 -5.251 452 HE1 HIS 61 1HE HIS 61 -3.583 -0.275 -7.231 453 H GLU 62 H GLU 62 1.476 -2.730 -10.544 454 HA GLU 62 HA GLU 62 4.003 -4.112 -10.698 455 1HB GLU 62 2HB GLU 62 2.943 -1.624 -12.132 456 2HB GLU 62 3HB GLU 62 4.326 -2.609 -12.621 457 1HG GLU 62 2HG GLU 62 1.437 -3.625 -12.537 458 2HG GLU 62 3HG GLU 62 2.298 -3.058 -13.970 459 H VAL 63 H VAL 63 4.050 -3.248 -8.262 460 HA VAL 63 HA VAL 63 5.049 -0.500 -7.946 461 HB VAL 63 HB VAL 63 4.978 -2.778 -5.929 462 1HG1 VAL 63 1HG1 VAL 63 6.438 -0.767 -5.330 463 2HG1 VAL 63 2HG1 VAL 63 4.953 0.211 -5.390 464 3HG1 VAL 63 3HG1 VAL 63 5.104 -1.105 -4.224 465 1HG2 VAL 63 1HG2 VAL 63 2.861 -1.463 -5.175 466 2HG2 VAL 63 2HG2 VAL 63 2.904 -0.717 -6.784 467 3HG2 VAL 63 3HG2 VAL 63 2.756 -2.477 -6.623 468 H GLU 64 H GLU 64 7.148 0.131 -7.719 469 HA GLU 64 HA GLU 64 9.280 -1.785 -8.454 470 1HB GLU 64 2HB GLU 64 8.885 0.498 -9.598 471 2HB GLU 64 3HB GLU 64 9.442 1.231 -8.084 472 1HG GLU 64 2HG GLU 64 11.621 0.091 -8.354 473 2HG GLU 64 3HG GLU 64 11.028 -0.719 -9.815 Start of MODEL 12 1 1H MET 1 H1 MET 1 11.272 5.652 10.756 2 2H MET 1 H2 MET 1 12.097 7.094 10.790 3 3H MET 1 H3 MET 1 10.427 7.037 10.760 4 HA MET 1 HA MET 1 11.325 7.626 8.596 5 1HB MET 1 2HB MET 1 12.459 4.826 8.953 6 2HB MET 1 3HB MET 1 12.184 5.500 7.342 7 1HG MET 1 2HG MET 1 13.744 7.217 7.606 8 2HG MET 1 3HG MET 1 13.769 7.094 9.368 9 1HE MET 1 1HE MET 1 16.365 7.407 7.552 10 2HE MET 1 2HE MET 1 16.337 7.376 9.334 11 3HE MET 1 3HE MET 1 17.440 6.304 8.442 12 H THR 2 H THR 2 10.251 6.114 6.559 13 HA THR 2 HA THR 2 7.762 4.896 7.523 14 HB THR 2 HB THR 2 6.409 6.329 6.049 15 HG1 THR 2 1HG THR 2 8.799 7.854 5.824 16 1HG2 THR 2 1HG2 THR 2 6.601 6.924 8.478 17 2HG2 THR 2 2HG2 THR 2 7.882 8.082 8.063 18 3HG2 THR 2 3HG2 THR 2 6.249 8.311 7.424 19 H ILE 3 H ILE 3 6.765 3.659 5.780 20 HA ILE 3 HA ILE 3 8.809 2.648 3.929 21 HB ILE 3 HB ILE 3 5.979 1.681 4.380 22 1HG1 ILE 3 2HG1 ILE 3 6.954 1.633 6.578 23 2HG1 ILE 3 3HG1 ILE 3 6.850 0.006 5.929 24 1HG2 ILE 3 1HG2 ILE 3 7.043 0.835 2.377 25 2HG2 ILE 3 2HG2 ILE 3 8.482 0.343 3.284 26 3HG2 ILE 3 3HG2 ILE 3 6.924 -0.458 3.573 27 1HD1 ILE 3 1HD1 ILE 3 9.395 1.691 6.033 28 2HD1 ILE 3 2HD1 ILE 3 8.958 0.368 7.125 29 3HD1 ILE 3 3HD1 ILE 3 9.277 0.026 5.419 30 H GLN 4 H GLN 4 8.974 4.471 2.583 31 HA GLN 4 HA GLN 4 6.671 5.385 0.992 32 1HB GLN 4 2HB GLN 4 9.449 6.290 1.493 33 2HB GLN 4 3HB GLN 4 8.933 6.452 -0.190 34 1HG GLN 4 2HG GLN 4 6.947 7.665 0.419 35 2HG GLN 4 3HG GLN 4 7.305 7.486 2.142 36 1HE2 GLN 4 1HE2 GLN 4 6.909 9.982 0.740 37 2HE2 GLN 4 2HE2 GLN 4 8.434 10.864 0.816 38 H LEU 5 H LEU 5 5.927 3.906 -0.447 39 HA LEU 5 HA LEU 5 7.934 2.525 -2.208 40 1HB LEU 5 2HB LEU 5 5.048 1.841 -1.666 41 2HB LEU 5 3HB LEU 5 6.147 0.934 -2.697 42 HG LEU 5 HG LEU 5 6.843 1.412 0.225 43 1HD1 LEU 5 1HD1 LEU 5 5.019 -0.742 -0.870 44 2HD1 LEU 5 2HD1 LEU 5 5.726 -0.718 0.762 45 3HD1 LEU 5 3HD1 LEU 5 4.600 0.569 0.265 46 1HD2 LEU 5 1HD2 LEU 5 8.062 -0.699 -0.043 47 2HD2 LEU 5 2HD2 LEU 5 7.491 -0.844 -1.719 48 3HD2 LEU 5 3HD2 LEU 5 8.588 0.478 -1.258 49 H THR 6 H THR 6 7.680 2.575 -4.408 50 HA THR 6 HA THR 6 6.151 4.891 -5.505 51 HB THR 6 HB THR 6 8.548 3.367 -6.616 52 HG1 THR 6 1HG THR 6 8.985 4.626 -4.751 53 1HG2 THR 6 1HG2 THR 6 7.201 4.418 -8.404 54 2HG2 THR 6 2HG2 THR 6 7.181 5.953 -7.503 55 3HG2 THR 6 3HG2 THR 6 8.708 5.315 -8.146 56 H VAL 7 H VAL 7 4.182 4.155 -6.163 57 HA VAL 7 HA VAL 7 3.959 1.478 -7.492 58 HB VAL 7 HB VAL 7 2.951 1.290 -5.449 59 1HG1 VAL 7 1HG1 VAL 7 1.501 3.911 -5.847 60 2HG1 VAL 7 2HG1 VAL 7 1.198 2.743 -4.541 61 3HG1 VAL 7 3HG1 VAL 7 2.758 3.559 -4.657 62 1HG2 VAL 7 1HG2 VAL 7 1.683 0.461 -7.455 63 2HG2 VAL 7 2HG2 VAL 7 0.744 0.669 -5.965 64 3HG2 VAL 7 3HG2 VAL 7 0.614 1.848 -7.274 65 HA PRO 8 HA PRO 8 3.226 4.927 -10.456 66 1HB PRO 8 2HB PRO 8 3.836 3.592 -12.785 67 2HB PRO 8 3HB PRO 8 5.046 4.340 -11.701 68 1HG PRO 8 2HG PRO 8 4.176 1.441 -11.757 69 2HG PRO 8 3HG PRO 8 5.842 2.087 -11.746 70 1HD PRO 8 2HD PRO 8 4.666 1.249 -9.487 71 2HD PRO 8 3HD PRO 8 5.668 2.722 -9.464 72 H THR 9 H THR 9 1.990 1.650 -10.362 73 HA THR 9 HA THR 9 -0.269 2.196 -12.134 74 HB THR 9 HB THR 9 0.988 0.064 -12.168 75 HG1 THR 9 1HG THR 9 -1.735 0.022 -11.412 76 1HG2 THR 9 1HG2 THR 9 1.638 -0.435 -9.968 77 2HG2 THR 9 2HG2 THR 9 0.027 -0.136 -9.294 78 3HG2 THR 9 3HG2 THR 9 0.291 -1.555 -10.298 79 H ILE 10 H ILE 10 0.108 3.329 -8.993 80 HA ILE 10 HA ILE 10 -2.225 2.564 -7.768 81 HB ILE 10 HB ILE 10 -0.410 4.843 -7.686 82 1HG1 ILE 10 2HG1 ILE 10 -2.397 3.619 -5.767 83 2HG1 ILE 10 3HG1 ILE 10 -0.744 3.098 -5.993 84 1HG2 ILE 10 1HG2 ILE 10 -1.851 6.597 -6.849 85 2HG2 ILE 10 2HG2 ILE 10 -2.343 6.182 -8.489 86 3HG2 ILE 10 3HG2 ILE 10 -3.290 5.592 -7.098 87 1HD1 ILE 10 1HD1 ILE 10 -0.686 4.424 -4.021 88 2HD1 ILE 10 2HD1 ILE 10 -0.043 5.502 -5.271 89 3HD1 ILE 10 3HD1 ILE 10 -1.722 5.683 -4.721 90 H ALA 11 H ALA 11 -4.333 3.435 -7.617 91 HA ALA 11 HA ALA 11 -6.386 3.889 -8.455 92 1HB ALA 11 1HB ALA 11 -4.900 6.057 -9.985 93 2HB ALA 11 2HB ALA 11 -6.629 6.026 -9.591 94 3HB ALA 11 3HB ALA 11 -5.433 6.157 -8.291 95 H CYS 12 H CYS 12 -4.741 1.929 -9.938 96 HA CYS 12 HA CYS 12 -5.523 2.115 -12.712 97 1HB CYS 12 2HB CYS 12 -3.534 1.019 -12.281 98 2HB CYS 12 3HB CYS 12 -4.206 0.055 -10.955 99 HG CYS 12 HG CYS 12 -4.774 -1.836 -12.330 100 H GLU 13 H GLU 13 -6.438 -0.531 -10.412 101 HA GLU 13 HA GLU 13 -9.275 -0.300 -11.230 102 1HB GLU 13 2HB GLU 13 -9.320 -2.625 -12.026 103 2HB GLU 13 3HB GLU 13 -8.285 -1.596 -13.010 104 1HG GLU 13 2HG GLU 13 -6.694 -3.166 -12.807 105 2HG GLU 13 3HG GLU 13 -6.480 -2.671 -11.120 106 H ALA 14 H ALA 14 -7.789 0.048 -8.757 107 HA ALA 14 HA ALA 14 -9.350 -1.667 -6.971 108 1HB ALA 14 1HB ALA 14 -6.299 -1.893 -7.008 109 2HB ALA 14 2HB ALA 14 -7.386 -2.603 -5.798 110 3HB ALA 14 3HB ALA 14 -7.444 -3.168 -7.477 111 H CYS 15 H CYS 15 -6.536 0.526 -7.278 112 HA CYS 15 HA CYS 15 -6.147 2.541 -6.480 113 1HB CYS 15 2HB CYS 15 -8.862 2.723 -6.321 114 2HB CYS 15 3HB CYS 15 -8.473 2.707 -4.585 115 HG CYS 15 HG CYS 15 -7.812 4.739 -7.013 116 H ALA 16 H ALA 16 -5.096 3.378 -4.611 117 HA ALA 16 HA ALA 16 -3.831 1.386 -3.061 118 1HB ALA 16 1HB ALA 16 -2.825 3.549 -3.463 119 2HB ALA 16 2HB ALA 16 -4.072 4.357 -2.479 120 3HB ALA 16 3HB ALA 16 -2.917 3.229 -1.721 121 H GLU 17 H GLU 17 -6.812 3.142 -2.377 122 HA GLU 17 HA GLU 17 -7.185 2.530 0.305 123 1HB GLU 17 2HB GLU 17 -8.977 2.934 -2.065 124 2HB GLU 17 3HB GLU 17 -9.695 2.105 -0.683 125 1HG GLU 17 2HG GLU 17 -8.170 4.729 -0.385 126 2HG GLU 17 3HG GLU 17 -9.927 4.617 -0.597 127 H ALA 18 H ALA 18 -7.427 0.290 -2.487 128 HA ALA 18 HA ALA 18 -8.570 -1.906 -1.090 129 1HB ALA 18 1HB ALA 18 -7.615 -3.267 -2.895 130 2HB ALA 18 2HB ALA 18 -8.356 -1.790 -3.543 131 3HB ALA 18 3HB ALA 18 -6.590 -1.914 -3.412 132 H VAL 19 H VAL 19 -5.083 -1.088 -1.693 133 HA VAL 19 HA VAL 19 -4.246 -3.326 -0.118 134 HB VAL 19 HB VAL 19 -2.871 -2.057 -1.879 135 1HG1 VAL 19 1HG1 VAL 19 -1.863 -0.654 0.657 136 2HG1 VAL 19 2HG1 VAL 19 -1.107 -0.627 -0.938 137 3HG1 VAL 19 3HG1 VAL 19 -2.677 0.149 -0.706 138 1HG2 VAL 19 1HG2 VAL 19 -2.295 -4.140 -0.496 139 2HG2 VAL 19 2HG2 VAL 19 -0.938 -3.141 -0.970 140 3HG2 VAL 19 3HG2 VAL 19 -1.541 -3.048 0.677 141 H THR 20 H THR 20 -4.877 0.075 0.594 142 HA THR 20 HA THR 20 -3.873 0.270 3.218 143 HB THR 20 HB THR 20 -6.407 1.490 2.056 144 HG1 THR 20 1HG THR 20 -4.544 2.056 0.946 145 1HG2 THR 20 1HG2 THR 20 -6.160 3.209 3.774 146 2HG2 THR 20 2HG2 THR 20 -6.590 1.637 4.440 147 3HG2 THR 20 3HG2 THR 20 -4.920 2.203 4.580 148 H LYS 21 H LYS 21 -7.126 -0.860 2.143 149 HA LYS 21 HA LYS 21 -8.090 -1.507 4.744 150 1HB LYS 21 2HB LYS 21 -8.725 -2.654 1.993 151 2HB LYS 21 3HB LYS 21 -9.683 -3.009 3.436 152 1HG LYS 21 2HG LYS 21 -9.103 -0.139 2.670 153 2HG LYS 21 3HG LYS 21 -10.347 -1.034 1.797 154 1HD LYS 21 2HD LYS 21 -11.754 -1.177 3.666 155 2HD LYS 21 3HD LYS 21 -10.418 -1.155 4.811 156 1HE LYS 21 2HE LYS 21 -11.736 0.896 4.987 157 2HE LYS 21 3HE LYS 21 -10.057 1.225 4.541 158 1HZ LYS 21 1HZ LYS 21 -10.727 1.715 2.321 159 2HZ LYS 21 2HZ LYS 21 -12.272 1.177 2.576 160 3HZ LYS 21 3HZ LYS 21 -11.644 2.530 3.272 161 H ALA 22 H ALA 22 -6.412 -3.476 2.316 162 HA ALA 22 HA ALA 22 -6.500 -5.952 3.765 163 1HB ALA 22 1HB ALA 22 -5.895 -5.815 1.384 164 2HB ALA 22 2HB ALA 22 -4.388 -4.969 1.812 165 3HB ALA 22 3HB ALA 22 -4.634 -6.650 2.327 166 H VAL 23 H VAL 23 -3.898 -3.539 3.556 167 HA VAL 23 HA VAL 23 -2.091 -4.783 5.344 168 HB VAL 23 HB VAL 23 -2.404 -1.883 4.493 169 1HG1 VAL 23 1HG1 VAL 23 0.011 -3.342 5.685 170 2HG1 VAL 23 2HG1 VAL 23 0.035 -1.703 5.021 171 3HG1 VAL 23 3HG1 VAL 23 -0.902 -2.041 6.492 172 1HG2 VAL 23 1HG2 VAL 23 -0.331 -3.843 3.447 173 2HG2 VAL 23 2HG2 VAL 23 -1.929 -3.791 2.721 174 3HG2 VAL 23 3HG2 VAL 23 -0.932 -2.324 2.749 175 H GLN 24 H GLN 24 -4.661 -2.270 5.878 176 HA GLN 24 HA GLN 24 -4.192 -1.995 8.675 177 1HB GLN 24 2HB GLN 24 -6.658 -1.658 6.945 178 2HB GLN 24 3HB GLN 24 -6.635 -1.259 8.661 179 1HG GLN 24 2HG GLN 24 -4.450 -0.111 6.895 180 2HG GLN 24 3HG GLN 24 -6.064 0.555 6.781 181 1HE2 GLN 24 1HE2 GLN 24 -3.188 1.126 8.213 182 2HE2 GLN 24 2HE2 GLN 24 -3.736 1.886 9.692 183 H ASN 25 H ASN 25 -5.998 -4.513 6.828 184 HA ASN 25 HA ASN 25 -7.418 -5.509 9.108 185 1HB ASN 25 2HB ASN 25 -6.488 -7.000 6.618 186 2HB ASN 25 3HB ASN 25 -7.491 -7.693 7.881 187 1HD2 ASN 25 1HD2 ASN 25 -8.219 -7.385 5.082 188 2HD2 ASN 25 2HD2 ASN 25 -9.666 -6.387 5.100 189 H GLU 26 H GLU 26 -4.222 -6.476 7.765 190 HA GLU 26 HA GLU 26 -3.657 -8.218 10.037 191 1HB GLU 26 2HB GLU 26 -1.804 -7.069 7.907 192 2HB GLU 26 3HB GLU 26 -1.400 -8.310 9.101 193 1HG GLU 26 2HG GLU 26 -3.756 -9.300 7.928 194 2HG GLU 26 3HG GLU 26 -2.903 -8.565 6.571 195 H ASP 27 H ASP 27 -2.392 -5.060 8.993 196 HA ASP 27 HA ASP 27 -1.072 -4.646 11.600 197 1HB ASP 27 2HB ASP 27 0.177 -4.483 9.372 198 2HB ASP 27 3HB ASP 27 -0.739 -3.030 9.021 199 H ALA 28 H ALA 28 -3.351 -4.338 12.457 200 HA ALA 28 HA ALA 28 -4.956 -2.119 11.517 201 1HB ALA 28 1HB ALA 28 -6.409 -2.661 13.411 202 2HB ALA 28 2HB ALA 28 -5.930 -4.143 12.561 203 3HB ALA 28 3HB ALA 28 -5.157 -3.713 14.105 204 H GLN 29 H GLN 29 -2.244 -2.248 13.553 205 HA GLN 29 HA GLN 29 -2.945 0.188 15.055 206 1HB GLN 29 2HB GLN 29 -0.804 -0.194 16.135 207 2HB GLN 29 3HB GLN 29 -1.896 -1.564 16.290 208 1HG GLN 29 2HG GLN 29 -0.604 -2.855 14.673 209 2HG GLN 29 3HG GLN 29 0.349 -1.431 14.227 210 1HE2 GLN 29 1HE2 GLN 29 -0.509 -3.348 17.192 211 2HE2 GLN 29 2HE2 GLN 29 1.099 -3.214 17.885 212 H ALA 30 H ALA 30 -1.677 -0.495 11.926 213 HA ALA 30 HA ALA 30 0.341 1.618 11.985 214 1HB ALA 30 1HB ALA 30 0.516 1.050 9.540 215 2HB ALA 30 2HB ALA 30 0.782 -0.267 10.689 216 3HB ALA 30 3HB ALA 30 -0.753 -0.165 9.786 217 H THR 31 H THR 31 0.407 3.232 10.229 218 HA THR 31 HA THR 31 -2.249 4.531 9.709 219 HB THR 31 HB THR 31 0.424 5.749 10.470 220 HG1 THR 31 1HG THR 31 -1.013 4.849 12.118 221 1HG2 THR 31 1HG2 THR 31 -2.184 7.148 9.745 222 2HG2 THR 31 2HG2 THR 31 -0.753 7.928 10.440 223 3HG2 THR 31 3HG2 THR 31 -0.664 7.226 8.823 224 H VAL 32 H VAL 32 -2.454 5.380 7.605 225 HA VAL 32 HA VAL 32 -0.272 4.713 5.676 226 HB VAL 32 HB VAL 32 -1.990 4.342 4.028 227 1HG1 VAL 32 1HG1 VAL 32 -1.184 2.506 5.684 228 2HG1 VAL 32 2HG1 VAL 32 -2.771 2.655 6.439 229 3HG1 VAL 32 3HG1 VAL 32 -2.640 2.175 4.733 230 1HG2 VAL 32 1HG2 VAL 32 -4.137 4.539 6.186 231 2HG2 VAL 32 2HG2 VAL 32 -3.786 5.871 5.073 232 3HG2 VAL 32 3HG2 VAL 32 -4.323 4.346 4.432 233 H GLN 33 H GLN 33 0.240 6.305 4.082 234 HA GLN 33 HA GLN 33 -1.404 8.755 3.965 235 1HB GLN 33 2HB GLN 33 1.572 8.631 4.648 236 2HB GLN 33 3HB GLN 33 0.731 10.080 4.066 237 1HG GLN 33 2HG GLN 33 -0.805 9.944 6.031 238 2HG GLN 33 3HG GLN 33 0.117 8.563 6.647 239 1HE2 GLN 33 1HE2 GLN 33 2.344 8.868 7.377 240 2HE2 GLN 33 2HE2 GLN 33 2.849 10.492 7.818 241 H VAL 34 H VAL 34 -2.066 7.965 1.929 242 HA VAL 34 HA VAL 34 0.100 7.533 -0.072 243 HB VAL 34 HB VAL 34 -1.111 5.560 0.098 244 1HG1 VAL 34 1HG1 VAL 34 -3.685 7.142 0.028 245 2HG1 VAL 34 2HG1 VAL 34 -3.577 5.391 -0.234 246 3HG1 VAL 34 3HG1 VAL 34 -3.079 6.083 1.310 247 1HG2 VAL 34 1HG2 VAL 34 -0.622 6.512 -2.194 248 2HG2 VAL 34 2HG2 VAL 34 -1.872 5.283 -2.119 249 3HG2 VAL 34 3HG2 VAL 34 -2.334 6.985 -2.289 250 H ASP 35 H ASP 35 0.419 8.999 -1.607 251 HA ASP 35 HA ASP 35 -1.477 11.277 -1.758 252 1HB ASP 35 2HB ASP 35 1.163 10.766 -3.128 253 2HB ASP 35 3HB ASP 35 0.199 12.230 -3.263 254 H LEU 36 H LEU 36 -3.170 9.774 -2.531 255 HA LEU 36 HA LEU 36 -3.188 8.467 -5.031 256 1HB LEU 36 2HB LEU 36 -5.406 10.033 -3.631 257 2HB LEU 36 3HB LEU 36 -5.614 9.165 -5.148 258 HG LEU 36 HG LEU 36 -4.518 7.151 -3.692 259 1HD1 LEU 36 1HD1 LEU 36 -5.576 7.108 -1.483 260 2HD1 LEU 36 2HD1 LEU 36 -4.523 8.531 -1.591 261 3HD1 LEU 36 3HD1 LEU 36 -6.276 8.718 -1.738 262 1HD2 LEU 36 1HD2 LEU 36 -7.456 7.960 -3.770 263 2HD2 LEU 36 2HD2 LEU 36 -6.569 7.110 -5.051 264 3HD2 LEU 36 3HD2 LEU 36 -6.820 6.327 -3.471 265 H THR 37 H THR 37 -3.192 11.928 -4.378 266 HA THR 37 HA THR 37 -3.756 13.145 -6.750 267 HB THR 37 HB THR 37 -1.310 13.605 -4.981 268 HG1 THR 37 1HG THR 37 -2.796 13.980 -3.536 269 1HG2 THR 37 1HG2 THR 37 -2.895 15.491 -6.783 270 2HG2 THR 37 2HG2 THR 37 -1.680 16.008 -5.593 271 3HG2 THR 37 3HG2 THR 37 -1.193 15.011 -6.971 272 H SER 38 H SER 38 -0.906 11.095 -6.075 273 HA SER 38 HA SER 38 -0.109 11.288 -8.930 274 1HB SER 38 2HB SER 38 1.816 11.454 -6.577 275 2HB SER 38 3HB SER 38 2.225 11.479 -8.316 276 HG SER 38 HG SER 38 0.650 13.370 -8.269 277 H LYS 39 H LYS 39 2.117 9.447 -7.177 278 HA LYS 39 HA LYS 39 0.564 6.985 -7.228 279 1HB LYS 39 2HB LYS 39 1.677 5.989 -9.137 280 2HB LYS 39 3HB LYS 39 0.784 7.419 -9.589 281 1HG LYS 39 2HG LYS 39 3.102 8.672 -9.381 282 2HG LYS 39 3HG LYS 39 3.774 7.034 -9.461 283 1HD LYS 39 2HD LYS 39 2.201 6.741 -11.539 284 2HD LYS 39 3HD LYS 39 1.990 8.495 -11.458 285 1HE LYS 39 2HE LYS 39 4.486 8.774 -11.688 286 2HE LYS 39 3HE LYS 39 4.659 7.013 -11.775 287 1HZ LYS 39 1HZ LYS 39 3.310 7.053 -13.777 288 2HZ LYS 39 2HZ LYS 39 3.218 8.694 -13.718 289 3HZ LYS 39 3HZ LYS 39 4.669 7.960 -13.946 290 H LYS 40 H LYS 40 1.702 8.020 -5.142 291 HA LYS 40 HA LYS 40 4.100 6.383 -4.522 292 1HB LYS 40 2HB LYS 40 5.043 8.355 -3.350 293 2HB LYS 40 3HB LYS 40 4.847 8.635 -5.085 294 1HG LYS 40 2HG LYS 40 2.516 9.671 -4.382 295 2HG LYS 40 3HG LYS 40 3.226 9.784 -2.779 296 1HD LYS 40 2HD LYS 40 4.526 10.874 -5.310 297 2HD LYS 40 3HD LYS 40 3.274 11.781 -4.470 298 1HE LYS 40 2HE LYS 40 5.760 10.818 -2.996 299 2HE LYS 40 3HE LYS 40 5.753 12.336 -3.907 300 1HZ LYS 40 1HZ LYS 40 3.972 13.136 -2.538 301 2HZ LYS 40 2HZ LYS 40 3.826 11.749 -1.737 302 3HZ LYS 40 3HZ LYS 40 5.191 12.643 -1.554 303 H VAL 41 H VAL 41 3.956 5.451 -2.448 304 HA VAL 41 HA VAL 41 1.594 6.220 -0.803 305 HB VAL 41 HB VAL 41 1.016 4.256 -2.104 306 1HG1 VAL 41 1HG1 VAL 41 3.299 3.286 -2.430 307 2HG1 VAL 41 2HG1 VAL 41 3.292 2.802 -0.720 308 3HG1 VAL 41 3HG1 VAL 41 2.115 2.108 -1.847 309 1HG2 VAL 41 1HG2 VAL 41 1.311 2.848 0.454 310 2HG2 VAL 41 2HG2 VAL 41 0.743 4.502 0.678 311 3HG2 VAL 41 3HG2 VAL 41 -0.141 3.386 -0.389 312 H THR 42 H THR 42 2.094 6.582 1.359 313 HA THR 42 HA THR 42 4.810 5.735 2.249 314 HB THR 42 HB THR 42 3.193 8.197 3.065 315 HG1 THR 42 1HG THR 42 4.037 8.426 1.029 316 1HG2 THR 42 1HG2 THR 42 5.921 7.190 3.883 317 2HG2 THR 42 2HG2 THR 42 5.312 8.829 4.198 318 3HG2 THR 42 3HG2 THR 42 4.499 7.431 4.918 319 H ILE 43 H ILE 43 4.423 3.945 3.499 320 HA ILE 43 HA ILE 43 1.934 3.910 5.183 321 HB ILE 43 HB ILE 43 3.790 1.681 4.352 322 1HG1 ILE 43 2HG1 ILE 43 2.313 2.620 2.524 323 2HG1 ILE 43 3HG1 ILE 43 2.149 0.917 2.877 324 1HG2 ILE 43 1HG2 ILE 43 1.962 0.241 5.388 325 2HG2 ILE 43 2HG2 ILE 43 2.936 1.179 6.525 326 3HG2 ILE 43 3HG2 ILE 43 1.305 1.722 6.111 327 1HD1 ILE 43 1HD1 ILE 43 -0.036 1.956 2.492 328 2HD1 ILE 43 2HD1 ILE 43 0.073 1.318 4.132 329 3HD1 ILE 43 3HD1 ILE 43 0.234 3.071 3.840 330 H THR 44 H THR 44 2.137 4.302 7.329 331 HA THR 44 HA THR 44 4.874 4.505 8.477 332 HB THR 44 HB THR 44 2.231 5.643 9.401 333 HG1 THR 44 1HG THR 44 4.280 6.706 7.796 334 1HG2 THR 44 1HG2 THR 44 3.880 5.422 11.221 335 2HG2 THR 44 2HG2 THR 44 5.108 6.239 10.232 336 3HG2 THR 44 3HG2 THR 44 3.669 7.125 10.777 337 H SER 45 H SER 45 5.256 2.366 8.915 338 HA SER 45 HA SER 45 3.933 1.165 11.224 339 1HB SER 45 2HB SER 45 3.767 -1.049 9.995 340 2HB SER 45 3HB SER 45 2.628 0.108 9.397 341 HG SER 45 HG SER 45 5.190 -0.374 8.243 342 H ALA 46 H ALA 46 5.269 -0.850 11.762 343 HA ALA 46 HA ALA 46 8.085 -0.726 10.742 344 1HB ALA 46 1HB ALA 46 6.944 -2.166 13.165 345 2HB ALA 46 2HB ALA 46 8.638 -2.168 12.626 346 3HB ALA 46 3HB ALA 46 7.889 -0.658 13.180 347 H LEU 47 H LEU 47 5.195 -2.866 11.146 348 HA LEU 47 HA LEU 47 6.764 -5.116 10.054 349 1HB LEU 47 2HB LEU 47 5.106 -6.552 10.769 350 2HB LEU 47 3HB LEU 47 5.246 -5.325 12.017 351 HG LEU 47 HG LEU 47 3.211 -4.188 10.872 352 1HD1 LEU 47 1HD1 LEU 47 3.241 -6.901 9.499 353 2HD1 LEU 47 2HD1 LEU 47 1.691 -6.174 9.926 354 3HD1 LEU 47 3HD1 LEU 47 2.769 -5.318 8.840 355 1HD2 LEU 47 1HD2 LEU 47 3.132 -5.267 13.069 356 2HD2 LEU 47 2HD2 LEU 47 1.649 -5.570 12.157 357 3HD2 LEU 47 3HD2 LEU 47 2.876 -6.850 12.294 358 H GLY 48 H GLY 48 4.398 -2.793 9.026 359 1HA GLY 48 2HA GLY 48 3.208 -3.855 6.851 360 2HA GLY 48 3HA GLY 48 3.696 -2.176 6.929 361 H GLU 49 H GLU 49 6.686 -2.865 6.991 362 HA GLU 49 HA GLU 49 7.271 -2.644 4.315 363 1HB GLU 49 2HB GLU 49 8.812 -2.425 6.352 364 2HB GLU 49 3HB GLU 49 8.943 -4.188 6.358 365 1HG GLU 49 2HG GLU 49 9.748 -4.008 3.933 366 2HG GLU 49 3HG GLU 49 9.792 -2.251 4.175 367 H GLU 50 H GLU 50 7.282 -5.727 6.148 368 HA GLU 50 HA GLU 50 7.580 -7.355 3.783 369 1HB GLU 50 2HB GLU 50 8.037 -7.636 6.507 370 2HB GLU 50 3HB GLU 50 6.555 -8.572 6.335 371 1HG GLU 50 2HG GLU 50 8.811 -9.050 4.375 372 2HG GLU 50 3HG GLU 50 9.029 -9.550 6.047 373 H GLN 51 H GLN 51 4.872 -6.630 6.021 374 HA GLN 51 HA GLN 51 3.013 -8.350 4.917 375 1HB GLN 51 2HB GLN 51 2.974 -6.806 7.019 376 2HB GLN 51 3HB GLN 51 2.193 -5.619 5.960 377 1HG GLN 51 2HG GLN 51 1.261 -8.464 6.511 378 2HG GLN 51 3HG GLN 51 0.611 -7.012 7.281 379 1HE2 GLN 51 1HE2 GLN 51 -0.691 -9.081 5.513 380 2HE2 GLN 51 2HE2 GLN 51 -1.405 -8.170 4.184 381 H LEU 52 H LEU 52 3.613 -4.944 3.993 382 HA LEU 52 HA LEU 52 1.761 -4.578 1.957 383 1HB LEU 52 2HB LEU 52 4.619 -3.602 2.315 384 2HB LEU 52 3HB LEU 52 3.612 -3.033 0.999 385 HG LEU 52 HG LEU 52 2.567 -2.833 3.825 386 1HD1 LEU 52 1HD1 LEU 52 3.596 -0.730 4.153 387 2HD1 LEU 52 2HD1 LEU 52 4.902 -1.756 3.567 388 3HD1 LEU 52 3HD1 LEU 52 4.133 -0.608 2.465 389 1HD2 LEU 52 1HD2 LEU 52 1.174 -1.116 2.890 390 2HD2 LEU 52 2HD2 LEU 52 2.104 -1.077 1.374 391 3HD2 LEU 52 3HD2 LEU 52 1.104 -2.479 1.763 392 H ARG 53 H ARG 53 4.950 -6.249 1.828 393 HA ARG 53 HA ARG 53 5.091 -6.375 -1.007 394 1HB ARG 53 2HB ARG 53 6.705 -7.239 1.089 395 2HB ARG 53 3HB ARG 53 6.059 -8.768 0.509 396 1HG ARG 53 2HG ARG 53 8.035 -8.456 -0.712 397 2HG ARG 53 3HG ARG 53 6.782 -7.949 -1.856 398 1HD ARG 53 2HD ARG 53 7.148 -5.555 -1.088 399 2HD ARG 53 3HD ARG 53 8.463 -6.090 -0.066 400 HE ARG 53 HE ARG 53 8.459 -5.595 -2.919 401 1HH1 ARG 53 2HH2 ARG 53 10.000 -7.574 -0.461 402 2HH1 ARG 53 1HH2 ARG 53 11.514 -7.751 -1.295 403 1HH2 ARG 53 2HH1 ARG 53 10.465 -5.711 -4.043 404 2HH2 ARG 53 1HH1 ARG 53 11.752 -6.698 -3.437 405 H THR 54 H THR 54 3.714 -8.663 1.373 406 HA THR 54 HA THR 54 2.647 -10.410 -0.615 407 HB THR 54 HB THR 54 1.928 -10.114 2.330 408 HG1 THR 54 1HG THR 54 3.711 -11.332 2.647 409 1HG2 THR 54 1HG2 THR 54 1.410 -12.554 2.140 410 2HG2 THR 54 2HG2 THR 54 0.325 -11.579 1.132 411 3HG2 THR 54 3HG2 THR 54 1.675 -12.465 0.386 412 H ALA 55 H ALA 55 1.110 -7.852 1.392 413 HA ALA 55 HA ALA 55 -1.554 -8.305 0.490 414 1HB ALA 55 1HB ALA 55 -0.259 -5.784 1.606 415 2HB ALA 55 2HB ALA 55 -2.005 -6.022 1.365 416 3HB ALA 55 3HB ALA 55 -1.124 -7.050 2.501 417 H ILE 56 H ILE 56 0.797 -5.764 -0.519 418 HA ILE 56 HA ILE 56 -0.618 -4.805 -2.759 419 HB ILE 56 HB ILE 56 2.401 -5.154 -2.548 420 1HG1 ILE 56 2HG1 ILE 56 0.812 -2.592 -2.041 421 2HG1 ILE 56 3HG1 ILE 56 1.277 -3.656 -0.709 422 1HG2 ILE 56 1HG2 ILE 56 2.476 -3.428 -4.255 423 2HG2 ILE 56 2HG2 ILE 56 1.473 -4.730 -4.862 424 3HG2 ILE 56 3HG2 ILE 56 0.703 -3.265 -4.205 425 1HD1 ILE 56 1HD1 ILE 56 2.852 -1.870 -0.883 426 2HD1 ILE 56 2HD1 ILE 56 3.677 -3.357 -1.404 427 3HD1 ILE 56 3HD1 ILE 56 3.135 -2.155 -2.597 428 H ALA 57 H ALA 57 1.783 -7.583 -2.668 429 HA ALA 57 HA ALA 57 1.476 -8.292 -5.356 430 1HB ALA 57 1HB ALA 57 3.217 -9.251 -3.952 431 2HB ALA 57 2HB ALA 57 2.001 -10.139 -2.998 432 3HB ALA 57 3HB ALA 57 2.255 -10.530 -4.708 433 H SER 58 H SER 58 -0.647 -9.153 -2.615 434 HA SER 58 HA SER 58 -2.235 -11.071 -3.906 435 1HB SER 58 2HB SER 58 -2.305 -10.354 -1.446 436 2HB SER 58 3HB SER 58 -3.349 -9.014 -1.966 437 HG SER 58 HG SER 58 -4.658 -10.731 -2.990 438 H ALA 59 H ALA 59 -2.261 -7.535 -4.263 439 HA ALA 59 HA ALA 59 -4.662 -7.617 -6.027 440 1HB ALA 59 1HB ALA 59 -4.257 -5.159 -6.157 441 2HB ALA 59 2HB ALA 59 -4.559 -5.753 -4.510 442 3HB ALA 59 3HB ALA 59 -2.908 -5.363 -5.016 443 H GLY 60 H GLY 60 -1.134 -7.203 -6.094 444 1HA GLY 60 2HA GLY 60 0.311 -7.854 -7.787 445 2HA GLY 60 3HA GLY 60 -1.048 -8.085 -8.895 446 H HIS 61 H HIS 61 0.509 -5.415 -7.045 447 HA HIS 61 HA HIS 61 0.111 -3.581 -9.351 448 1HB HIS 61 2HB HIS 61 1.026 -3.075 -6.515 449 2HB HIS 61 3HB HIS 61 0.906 -1.840 -7.753 450 HD1 HIS 61 1HD HIS 61 -1.578 -0.916 -8.264 451 HD2 HIS 61 2HD HIS 61 -1.197 -3.892 -5.320 452 HE1 HIS 61 1HE HIS 61 -3.706 -0.838 -6.868 453 H GLU 62 H GLU 62 1.826 -2.638 -10.386 454 HA GLU 62 HA GLU 62 4.336 -4.004 -10.539 455 1HB GLU 62 2HB GLU 62 3.365 -1.426 -11.869 456 2HB GLU 62 3HB GLU 62 4.675 -2.474 -12.421 457 1HG GLU 62 2HG GLU 62 1.723 -3.312 -12.326 458 2HG GLU 62 3HG GLU 62 2.577 -2.698 -13.736 459 H VAL 63 H VAL 63 4.367 -3.214 -8.065 460 HA VAL 63 HA VAL 63 5.614 -0.552 -7.707 461 HB VAL 63 HB VAL 63 5.385 -2.748 -5.614 462 1HG1 VAL 63 1HG1 VAL 63 6.800 -0.722 -5.075 463 2HG1 VAL 63 2HG1 VAL 63 5.361 0.287 -5.336 464 3HG1 VAL 63 3HG1 VAL 63 5.386 -0.913 -4.034 465 1HG2 VAL 63 1HG2 VAL 63 3.312 -0.797 -6.632 466 2HG2 VAL 63 2HG2 VAL 63 3.164 -2.542 -6.350 467 3HG2 VAL 63 3HG2 VAL 63 3.246 -1.423 -4.975 468 H GLU 64 H GLU 64 7.794 -0.195 -7.320 469 HA GLU 64 HA GLU 64 9.697 -2.439 -7.744 470 1HB GLU 64 2HB GLU 64 9.751 -0.020 -8.910 471 2HB GLU 64 3HB GLU 64 10.477 0.447 -7.367 472 1HG GLU 64 2HG GLU 64 12.319 -0.070 -8.728 473 2HG GLU 64 3HG GLU 64 12.106 -1.569 -7.812 Start of MODEL 13 1 1H MET 1 H1 MET 1 9.613 5.428 11.782 2 2H MET 1 H2 MET 1 11.267 5.592 11.904 3 3H MET 1 H3 MET 1 10.368 6.636 10.978 4 HA MET 1 HA MET 1 11.341 5.123 9.464 5 1HB MET 1 2HB MET 1 10.170 3.074 11.397 6 2HB MET 1 3HB MET 1 10.664 2.658 9.753 7 1HG MET 1 2HG MET 1 12.951 3.191 10.174 8 2HG MET 1 3HG MET 1 12.582 3.955 11.727 9 1HE MET 1 1HE MET 1 14.549 2.685 12.840 10 2HE MET 1 2HE MET 1 14.724 0.915 12.812 11 3HE MET 1 3HE MET 1 14.922 1.847 11.311 12 H THR 2 H THR 2 10.043 4.756 7.559 13 HA THR 2 HA THR 2 7.301 4.055 7.797 14 HB THR 2 HB THR 2 7.265 6.599 8.177 15 HG1 THR 2 1HG THR 2 5.780 5.086 6.490 16 1HG2 THR 2 1HG2 THR 2 7.482 8.065 6.260 17 2HG2 THR 2 2HG2 THR 2 9.025 7.226 6.512 18 3HG2 THR 2 3HG2 THR 2 7.936 6.723 5.203 19 H ILE 3 H ILE 3 6.664 3.164 5.762 20 HA ILE 3 HA ILE 3 8.980 2.544 4.028 21 HB ILE 3 HB ILE 3 6.259 1.220 4.210 22 1HG1 ILE 3 2HG1 ILE 3 7.135 1.052 6.436 23 2HG1 ILE 3 3HG1 ILE 3 7.321 -0.485 5.622 24 1HG2 ILE 3 1HG2 ILE 3 8.941 0.253 3.138 25 2HG2 ILE 3 2HG2 ILE 3 7.418 -0.662 3.183 26 3HG2 ILE 3 3HG2 ILE 3 7.550 0.784 2.181 27 1HD1 ILE 3 1HD1 ILE 3 9.569 1.515 6.083 28 2HD1 ILE 3 2HD1 ILE 3 9.276 0.017 6.975 29 3HD1 ILE 3 3HD1 ILE 3 9.733 -0.056 5.267 30 H GLN 4 H GLN 4 9.143 3.967 2.400 31 HA GLN 4 HA GLN 4 6.748 5.017 1.007 32 1HB GLN 4 2HB GLN 4 9.473 6.029 1.570 33 2HB GLN 4 3HB GLN 4 9.022 6.187 -0.136 34 1HG GLN 4 2HG GLN 4 6.976 7.303 0.397 35 2HG GLN 4 3HG GLN 4 7.242 7.065 2.144 36 1HE2 GLN 4 1HE2 GLN 4 6.693 9.500 1.718 37 2HE2 GLN 4 2HE2 GLN 4 8.114 10.544 1.617 38 H LEU 5 H LEU 5 6.050 3.637 -0.523 39 HA LEU 5 HA LEU 5 8.089 2.311 -2.300 40 1HB LEU 5 2HB LEU 5 5.210 1.454 -1.948 41 2HB LEU 5 3HB LEU 5 6.518 0.622 -2.789 42 HG LEU 5 HG LEU 5 6.307 1.064 0.221 43 1HD1 LEU 5 1HD1 LEU 5 6.066 -1.450 -1.476 44 2HD1 LEU 5 2HD1 LEU 5 6.004 -1.372 0.299 45 3HD1 LEU 5 3HD1 LEU 5 4.735 -0.591 -0.667 46 1HD2 LEU 5 1HD2 LEU 5 8.290 -0.519 0.278 47 2HD2 LEU 5 2HD2 LEU 5 8.444 -0.309 -1.478 48 3HD2 LEU 5 3HD2 LEU 5 8.655 1.077 -0.383 49 H THR 6 H THR 6 7.679 2.264 -4.569 50 HA THR 6 HA THR 6 6.087 4.612 -5.531 51 HB THR 6 HB THR 6 8.463 3.161 -6.745 52 HG1 THR 6 1HG THR 6 8.314 4.957 -4.854 53 1HG2 THR 6 1HG2 THR 6 8.470 5.074 -8.327 54 2HG2 THR 6 2HG2 THR 6 6.982 4.129 -8.497 55 3HG2 THR 6 3HG2 THR 6 6.958 5.677 -7.614 56 H VAL 7 H VAL 7 4.128 3.931 -6.113 57 HA VAL 7 HA VAL 7 3.735 1.274 -7.442 58 HB VAL 7 HB VAL 7 2.723 1.212 -5.375 59 1HG1 VAL 7 1HG1 VAL 7 1.059 2.805 -4.520 60 2HG1 VAL 7 2HG1 VAL 7 2.670 3.509 -4.645 61 3HG1 VAL 7 3HG1 VAL 7 1.445 3.915 -5.850 62 1HG2 VAL 7 1HG2 VAL 7 0.461 0.756 -5.860 63 2HG2 VAL 7 2HG2 VAL 7 0.441 1.856 -7.242 64 3HG2 VAL 7 3HG2 VAL 7 1.395 0.376 -7.318 65 HA PRO 8 HA PRO 8 3.262 4.699 -10.473 66 1HB PRO 8 2HB PRO 8 3.723 3.261 -12.773 67 2HB PRO 8 3HB PRO 8 5.014 3.912 -11.722 68 1HG PRO 8 2HG PRO 8 3.890 1.102 -11.726 69 2HG PRO 8 3HG PRO 8 5.604 1.603 -11.718 70 1HD PRO 8 2HD PRO 8 4.307 0.901 -9.461 71 2HD PRO 8 3HD PRO 8 5.514 2.209 -9.451 72 H THR 9 H THR 9 1.852 1.440 -10.474 73 HA THR 9 HA THR 9 -0.377 2.202 -12.162 74 HB THR 9 HB THR 9 0.770 -0.024 -12.192 75 HG1 THR 9 1HG THR 9 -1.998 0.082 -11.597 76 1HG2 THR 9 1HG2 THR 9 -0.722 -0.472 -9.579 77 2HG2 THR 9 2HG2 THR 9 0.075 -1.695 -10.547 78 3HG2 THR 9 3HG2 THR 9 1.050 -0.427 -9.780 79 H ILE 10 H ILE 10 0.017 3.261 -9.019 80 HA ILE 10 HA ILE 10 -2.326 2.652 -7.766 81 HB ILE 10 HB ILE 10 -0.426 4.858 -7.782 82 1HG1 ILE 10 2HG1 ILE 10 -2.496 3.842 -5.830 83 2HG1 ILE 10 3HG1 ILE 10 -0.861 3.244 -5.997 84 1HG2 ILE 10 1HG2 ILE 10 -1.811 6.725 -7.079 85 2HG2 ILE 10 2HG2 ILE 10 -2.278 6.227 -8.706 86 3HG2 ILE 10 3HG2 ILE 10 -3.283 5.765 -7.309 87 1HD1 ILE 10 1HD1 ILE 10 -1.746 5.945 -4.900 88 2HD1 ILE 10 2HD1 ILE 10 -0.803 4.680 -4.095 89 3HD1 ILE 10 3HD1 ILE 10 -0.066 5.636 -5.388 90 H ALA 11 H ALA 11 -4.426 3.506 -7.661 91 HA ALA 11 HA ALA 11 -6.442 4.083 -8.456 92 1HB ALA 11 1HB ALA 11 -6.630 6.188 -9.652 93 2HB ALA 11 2HB ALA 11 -5.412 6.309 -8.372 94 3HB ALA 11 3HB ALA 11 -4.907 6.149 -10.073 95 H CYS 12 H CYS 12 -4.521 2.320 -10.320 96 HA CYS 12 HA CYS 12 -5.476 2.228 -12.901 97 1HB CYS 12 2HB CYS 12 -3.751 0.834 -12.216 98 2HB CYS 12 3HB CYS 12 -4.658 0.157 -10.855 99 HG CYS 12 HG CYS 12 -6.482 -1.064 -12.434 100 H GLU 13 H GLU 13 -6.905 0.525 -10.119 101 HA GLU 13 HA GLU 13 -9.617 1.130 -10.911 102 1HB GLU 13 2HB GLU 13 -8.500 -1.582 -11.530 103 2HB GLU 13 3HB GLU 13 -9.986 -1.601 -10.576 104 1HG GLU 13 2HG GLU 13 -11.156 -0.247 -12.217 105 2HG GLU 13 3HG GLU 13 -9.701 -0.150 -13.224 106 H ALA 14 H ALA 14 -7.944 -1.419 -9.071 107 HA ALA 14 HA ALA 14 -9.551 -1.501 -6.863 108 1HB ALA 14 1HB ALA 14 -7.750 -3.109 -7.365 109 2HB ALA 14 2HB ALA 14 -6.527 -1.900 -6.911 110 3HB ALA 14 3HB ALA 14 -7.648 -2.536 -5.691 111 H CYS 15 H CYS 15 -6.817 0.724 -7.339 112 HA CYS 15 HA CYS 15 -6.151 2.583 -6.364 113 1HB CYS 15 2HB CYS 15 -8.704 2.622 -4.680 114 2HB CYS 15 3HB CYS 15 -7.496 3.899 -4.808 115 HG CYS 15 HG CYS 15 -9.341 2.607 -7.198 116 H ALA 16 H ALA 16 -4.939 3.221 -4.591 117 HA ALA 16 HA ALA 16 -3.852 1.150 -2.999 118 1HB ALA 16 1HB ALA 16 -2.616 3.165 -3.508 119 2HB ALA 16 2HB ALA 16 -3.798 4.143 -2.590 120 3HB ALA 16 3HB ALA 16 -2.745 2.973 -1.747 121 H GLU 17 H GLU 17 -6.744 3.119 -2.342 122 HA GLU 17 HA GLU 17 -6.976 2.562 0.392 123 1HB GLU 17 2HB GLU 17 -8.994 3.005 -1.794 124 2HB GLU 17 3HB GLU 17 -9.536 2.118 -0.374 125 1HG GLU 17 2HG GLU 17 -8.491 4.007 1.053 126 2HG GLU 17 3HG GLU 17 -8.478 4.943 -0.447 127 H ALA 18 H ALA 18 -7.413 0.334 -2.407 128 HA ALA 18 HA ALA 18 -8.540 -1.824 -0.965 129 1HB ALA 18 1HB ALA 18 -6.633 -1.930 -3.343 130 2HB ALA 18 2HB ALA 18 -7.720 -3.220 -2.789 131 3HB ALA 18 3HB ALA 18 -8.394 -1.707 -3.427 132 H VAL 19 H VAL 19 -5.045 -1.131 -1.685 133 HA VAL 19 HA VAL 19 -4.214 -3.390 -0.155 134 HB VAL 19 HB VAL 19 -2.803 -2.090 -1.892 135 1HG1 VAL 19 1HG1 VAL 19 -2.651 0.095 -0.639 136 2HG1 VAL 19 2HG1 VAL 19 -1.769 -0.752 0.657 137 3HG1 VAL 19 3HG1 VAL 19 -1.088 -0.651 -0.973 138 1HG2 VAL 19 1HG2 VAL 19 -0.753 -2.933 -0.439 139 2HG2 VAL 19 2HG2 VAL 19 -1.974 -3.468 0.678 140 3HG2 VAL 19 3HG2 VAL 19 -1.985 -4.106 -0.972 141 H THR 20 H THR 20 -4.695 0.036 0.660 142 HA THR 20 HA THR 20 -3.755 0.093 3.304 143 HB THR 20 HB THR 20 -6.233 1.410 2.132 144 HG1 THR 20 1HG THR 20 -4.370 2.004 1.087 145 1HG2 THR 20 1HG2 THR 20 -6.512 1.471 4.498 146 2HG2 THR 20 2HG2 THR 20 -4.845 2.023 4.733 147 3HG2 THR 20 3HG2 THR 20 -6.034 3.060 3.903 148 H LYS 21 H LYS 21 -7.079 -0.854 2.200 149 HA LYS 21 HA LYS 21 -7.942 -1.530 4.833 150 1HB LYS 21 2HB LYS 21 -9.077 -2.762 2.314 151 2HB LYS 21 3HB LYS 21 -9.895 -2.470 3.855 152 1HG LYS 21 2HG LYS 21 -8.877 0.052 2.910 153 2HG LYS 21 3HG LYS 21 -9.615 -0.792 1.535 154 1HD LYS 21 2HD LYS 21 -11.761 -0.860 2.744 155 2HD LYS 21 3HD LYS 21 -10.990 -0.058 4.147 156 1HE LYS 21 2HE LYS 21 -10.202 1.795 2.601 157 2HE LYS 21 3HE LYS 21 -11.052 1.020 1.261 158 1HZ LYS 21 1HZ LYS 21 -12.096 2.853 2.107 159 2HZ LYS 21 2HZ LYS 21 -13.106 1.556 2.330 160 3HZ LYS 21 3HZ LYS 21 -12.304 2.233 3.625 161 H ALA 22 H ALA 22 -6.443 -3.455 2.217 162 HA ALA 22 HA ALA 22 -6.751 -5.998 3.395 163 1HB ALA 22 1HB ALA 22 -4.487 -5.021 1.639 164 2HB ALA 22 2HB ALA 22 -4.892 -6.707 2.016 165 3HB ALA 22 3HB ALA 22 -6.040 -5.704 1.092 166 H VAL 23 H VAL 23 -3.932 -3.805 3.491 167 HA VAL 23 HA VAL 23 -2.309 -5.372 5.221 168 HB VAL 23 HB VAL 23 -2.310 -2.418 4.489 169 1HG1 VAL 23 1HG1 VAL 23 -0.088 -4.077 5.770 170 2HG1 VAL 23 2HG1 VAL 23 0.094 -2.437 5.134 171 3HG1 VAL 23 3HG1 VAL 23 -0.937 -2.718 6.556 172 1HG2 VAL 23 1HG2 VAL 23 -0.668 -3.018 2.851 173 2HG2 VAL 23 2HG2 VAL 23 -0.457 -4.644 3.533 174 3HG2 VAL 23 3HG2 VAL 23 -1.946 -4.234 2.683 175 H GLN 24 H GLN 24 -4.567 -2.632 5.848 176 HA GLN 24 HA GLN 24 -4.215 -2.434 8.626 177 1HB GLN 24 2HB GLN 24 -6.625 -1.992 6.852 178 2HB GLN 24 3HB GLN 24 -6.617 -1.581 8.561 179 1HG GLN 24 2HG GLN 24 -4.358 -0.511 6.859 180 2HG GLN 24 3HG GLN 24 -5.963 0.181 6.653 181 1HE2 GLN 24 1HE2 GLN 24 -3.185 0.919 8.073 182 2HE2 GLN 24 2HE2 GLN 24 -3.777 1.726 9.515 183 H ASN 25 H ASN 25 -5.705 -5.170 6.851 184 HA ASN 25 HA ASN 25 -7.357 -6.036 9.051 185 1HB ASN 25 2HB ASN 25 -5.796 -7.730 7.056 186 2HB ASN 25 3HB ASN 25 -6.949 -8.342 8.232 187 1HD2 ASN 25 1HD2 ASN 25 -6.642 -7.265 5.102 188 2HD2 ASN 25 2HD2 ASN 25 -8.369 -7.116 4.730 189 H GLU 26 H GLU 26 -3.870 -6.672 8.254 190 HA GLU 26 HA GLU 26 -3.427 -8.088 10.772 191 1HB GLU 26 2HB GLU 26 -1.651 -7.083 8.540 192 2HB GLU 26 3HB GLU 26 -1.092 -8.094 9.888 193 1HG GLU 26 2HG GLU 26 -3.407 -9.151 8.251 194 2HG GLU 26 3HG GLU 26 -1.837 -9.042 7.454 195 H ASP 27 H ASP 27 -2.257 -5.070 9.205 196 HA ASP 27 HA ASP 27 -1.141 -4.171 11.760 197 1HB ASP 27 2HB ASP 27 -0.146 -4.002 9.248 198 2HB ASP 27 3HB ASP 27 -0.939 -2.469 9.267 199 H ALA 28 H ALA 28 -3.501 -4.199 12.466 200 HA ALA 28 HA ALA 28 -5.366 -2.254 11.478 201 1HB ALA 28 1HB ALA 28 -5.251 -3.642 14.187 202 2HB ALA 28 2HB ALA 28 -6.667 -2.829 13.480 203 3HB ALA 28 3HB ALA 28 -6.006 -4.289 12.711 204 H GLN 29 H GLN 29 -2.667 -1.974 13.547 205 HA GLN 29 HA GLN 29 -3.455 0.641 14.680 206 1HB GLN 29 2HB GLN 29 -1.294 0.319 15.893 207 2HB GLN 29 3HB GLN 29 -2.519 -0.893 16.260 208 1HG GLN 29 2HG GLN 29 -1.364 -2.600 15.156 209 2HG GLN 29 3HG GLN 29 -0.551 -1.475 14.056 210 1HE2 GLN 29 1HE2 GLN 29 1.563 -1.875 14.342 211 2HE2 GLN 29 2HE2 GLN 29 2.384 -1.773 15.905 212 H ALA 30 H ALA 30 -2.279 -0.240 11.667 213 HA ALA 30 HA ALA 30 0.069 1.484 11.606 214 1HB ALA 30 1HB ALA 30 -1.564 0.183 9.384 215 2HB ALA 30 2HB ALA 30 -0.042 1.065 9.148 216 3HB ALA 30 3HB ALA 30 -0.069 -0.412 10.107 217 H THR 31 H THR 31 0.286 3.414 10.373 218 HA THR 31 HA THR 31 -2.259 4.893 9.770 219 HB THR 31 HB THR 31 0.484 5.985 10.465 220 HG1 THR 31 1HG THR 31 -0.795 5.003 12.187 221 1HG2 THR 31 1HG2 THR 31 -0.812 7.497 8.963 222 2HG2 THR 31 2HG2 THR 31 -2.199 7.391 10.074 223 3HG2 THR 31 3HG2 THR 31 -0.688 8.157 10.603 224 H VAL 32 H VAL 32 -2.454 5.567 7.636 225 HA VAL 32 HA VAL 32 -0.257 4.817 5.752 226 HB VAL 32 HB VAL 32 -1.949 4.425 4.092 227 1HG1 VAL 32 1HG1 VAL 32 -2.651 2.317 4.847 228 2HG1 VAL 32 2HG1 VAL 32 -1.248 2.647 5.867 229 3HG1 VAL 32 3HG1 VAL 32 -2.876 2.864 6.524 230 1HG2 VAL 32 1HG2 VAL 32 -4.051 4.985 6.244 231 2HG2 VAL 32 2HG2 VAL 32 -3.718 6.012 4.833 232 3HG2 VAL 32 3HG2 VAL 32 -4.346 4.388 4.603 233 H GLN 33 H GLN 33 0.248 6.337 4.096 234 HA GLN 33 HA GLN 33 -1.249 8.894 4.025 235 1HB GLN 33 2HB GLN 33 1.752 8.609 4.529 236 2HB GLN 33 3HB GLN 33 0.920 10.104 4.072 237 1HG GLN 33 2HG GLN 33 -0.510 9.843 6.147 238 2HG GLN 33 3HG GLN 33 0.551 8.509 6.643 239 1HE2 GLN 33 1HE2 GLN 33 0.012 11.449 7.633 240 2HE2 GLN 33 2HE2 GLN 33 1.649 12.039 7.864 241 H VAL 34 H VAL 34 -1.982 7.654 2.083 242 HA VAL 34 HA VAL 34 0.082 7.316 0.006 243 HB VAL 34 HB VAL 34 -1.474 5.507 0.315 244 1HG1 VAL 34 1HG1 VAL 34 -3.515 6.695 1.041 245 2HG1 VAL 34 2HG1 VAL 34 -3.697 7.376 -0.588 246 3HG1 VAL 34 3HG1 VAL 34 -3.814 5.629 -0.337 247 1HG2 VAL 34 1HG2 VAL 34 -0.440 6.075 -1.913 248 2HG2 VAL 34 2HG2 VAL 34 -1.948 5.191 -2.025 249 3HG2 VAL 34 3HG2 VAL 34 -1.930 6.928 -2.349 250 H ASP 35 H ASP 35 0.391 8.639 -1.694 251 HA ASP 35 HA ASP 35 -1.283 11.112 -1.887 252 1HB ASP 35 2HB ASP 35 1.522 10.352 -2.490 253 2HB ASP 35 3HB ASP 35 0.752 11.486 -3.623 254 H LEU 36 H LEU 36 -3.031 9.730 -2.671 255 HA LEU 36 HA LEU 36 -3.036 8.486 -5.252 256 1HB LEU 36 2HB LEU 36 -5.196 9.961 -3.707 257 2HB LEU 36 3HB LEU 36 -5.501 9.100 -5.215 258 HG LEU 36 HG LEU 36 -4.057 7.450 -3.222 259 1HD1 LEU 36 1HD1 LEU 36 -6.037 7.059 -1.808 260 2HD1 LEU 36 2HD1 LEU 36 -5.463 8.731 -1.667 261 3HD1 LEU 36 3HD1 LEU 36 -6.903 8.368 -2.644 262 1HD2 LEU 36 1HD2 LEU 36 -5.703 5.785 -3.940 263 2HD2 LEU 36 2HD2 LEU 36 -6.633 7.028 -4.797 264 3HD2 LEU 36 3HD2 LEU 36 -5.005 6.592 -5.361 265 H THR 37 H THR 37 -2.902 11.879 -4.284 266 HA THR 37 HA THR 37 -3.447 13.289 -6.572 267 HB THR 37 HB THR 37 -1.045 13.616 -4.721 268 HG1 THR 37 1HG THR 37 -3.751 14.349 -4.266 269 1HG2 THR 37 1HG2 THR 37 -2.859 15.665 -6.097 270 2HG2 THR 37 2HG2 THR 37 -1.579 16.039 -4.923 271 3HG2 THR 37 3HG2 THR 37 -1.159 15.336 -6.491 272 H SER 38 H SER 38 -0.828 10.916 -6.140 273 HA SER 38 HA SER 38 -0.146 11.315 -8.951 274 1HB SER 38 2HB SER 38 1.999 11.503 -6.792 275 2HB SER 38 3HB SER 38 2.271 11.421 -8.553 276 HG SER 38 HG SER 38 0.535 13.350 -8.158 277 H LYS 39 H LYS 39 2.168 9.442 -7.202 278 HA LYS 39 HA LYS 39 0.611 6.998 -7.307 279 1HB LYS 39 2HB LYS 39 1.752 5.966 -9.188 280 2HB LYS 39 3HB LYS 39 0.851 7.384 -9.673 281 1HG LYS 39 2HG LYS 39 3.143 8.655 -9.467 282 2HG LYS 39 3HG LYS 39 3.842 7.018 -9.496 283 1HD LYS 39 2HD LYS 39 2.345 6.618 -11.576 284 2HD LYS 39 3HD LYS 39 2.043 8.351 -11.583 285 1HE LYS 39 2HE LYS 39 4.770 6.959 -11.842 286 2HE LYS 39 3HE LYS 39 3.842 7.660 -13.173 287 1HZ LYS 39 1HZ LYS 39 4.981 9.161 -10.910 288 2HZ LYS 39 2HZ LYS 39 5.558 9.135 -12.446 289 3HZ LYS 39 3HZ LYS 39 4.094 9.815 -12.138 290 H LYS 40 H LYS 40 1.870 8.094 -5.199 291 HA LYS 40 HA LYS 40 4.072 6.163 -4.677 292 1HB LYS 40 2HB LYS 40 5.307 7.875 -3.497 293 2HB LYS 40 3HB LYS 40 4.979 8.426 -5.146 294 1HG LYS 40 2HG LYS 40 2.842 9.548 -4.010 295 2HG LYS 40 3HG LYS 40 3.799 9.368 -2.532 296 1HD LYS 40 2HD LYS 40 5.676 10.585 -3.919 297 2HD LYS 40 3HD LYS 40 4.341 10.936 -5.058 298 1HE LYS 40 2HE LYS 40 3.051 11.913 -3.151 299 2HE LYS 40 3HE LYS 40 4.423 11.669 -2.061 300 1HZ LYS 40 1HZ LYS 40 4.251 13.872 -2.783 301 2HZ LYS 40 2HZ LYS 40 5.601 13.264 -3.511 302 3HZ LYS 40 3HZ LYS 40 4.202 13.479 -4.374 303 H VAL 41 H VAL 41 4.000 5.256 -2.593 304 HA VAL 41 HA VAL 41 1.612 5.961 -0.943 305 HB VAL 41 HB VAL 41 1.189 3.882 -2.161 306 1HG1 VAL 41 1HG1 VAL 41 2.489 1.842 -1.710 307 2HG1 VAL 41 2HG1 VAL 41 3.493 3.063 -2.494 308 3HG1 VAL 41 3HG1 VAL 41 3.653 2.773 -0.748 309 1HG2 VAL 41 1HG2 VAL 41 0.572 2.489 -0.284 310 2HG2 VAL 41 2HG2 VAL 41 1.732 3.306 0.776 311 3HG2 VAL 41 3HG2 VAL 41 0.320 4.184 0.160 312 H THR 42 H THR 42 1.950 5.889 1.352 313 HA THR 42 HA THR 42 4.689 5.252 2.214 314 HB THR 42 HB THR 42 3.216 7.845 2.843 315 HG1 THR 42 1HG THR 42 4.785 7.215 0.891 316 1HG2 THR 42 1HG2 THR 42 5.802 6.708 3.965 317 2HG2 THR 42 2HG2 THR 42 5.292 8.404 4.120 318 3HG2 THR 42 3HG2 THR 42 4.328 7.122 4.866 319 H ILE 43 H ILE 43 4.517 3.855 3.853 320 HA ILE 43 HA ILE 43 1.954 3.677 5.420 321 HB ILE 43 HB ILE 43 3.968 1.599 4.525 322 1HG1 ILE 43 2HG1 ILE 43 2.379 2.294 2.749 323 2HG1 ILE 43 3HG1 ILE 43 2.147 0.632 3.236 324 1HG2 ILE 43 1HG2 ILE 43 1.643 1.239 6.424 325 2HG2 ILE 43 2HG2 ILE 43 2.440 -0.095 5.546 326 3HG2 ILE 43 3HG2 ILE 43 3.370 0.908 6.659 327 1HD1 ILE 43 1HD1 ILE 43 0.362 2.939 4.048 328 2HD1 ILE 43 2HD1 ILE 43 0.000 1.641 2.904 329 3HD1 ILE 43 3HD1 ILE 43 0.195 1.255 4.616 330 H THR 44 H THR 44 2.152 4.143 7.544 331 HA THR 44 HA THR 44 4.879 4.211 8.755 332 HB THR 44 HB THR 44 2.398 5.738 9.558 333 HG1 THR 44 1HG THR 44 4.489 6.439 7.793 334 1HG2 THR 44 1HG2 THR 44 5.352 6.127 10.220 335 2HG2 THR 44 2HG2 THR 44 4.010 7.159 10.760 336 3HG2 THR 44 3HG2 THR 44 4.118 5.483 11.328 337 H SER 45 H SER 45 4.984 2.115 9.444 338 HA SER 45 HA SER 45 3.332 1.371 11.770 339 1HB SER 45 2HB SER 45 3.275 -1.002 10.673 340 2HB SER 45 3HB SER 45 2.125 0.200 10.111 341 HG SER 45 HG SER 45 4.589 -0.456 8.850 342 H ALA 46 H ALA 46 4.350 -0.710 12.714 343 HA ALA 46 HA ALA 46 7.175 -0.339 13.161 344 1HB ALA 46 1HB ALA 46 5.336 -2.694 13.785 345 2HB ALA 46 2HB ALA 46 6.972 -2.448 14.431 346 3HB ALA 46 3HB ALA 46 5.672 -1.314 14.857 347 H LEU 47 H LEU 47 5.213 -2.492 11.140 348 HA LEU 47 HA LEU 47 7.627 -3.551 9.723 349 1HB LEU 47 2HB LEU 47 6.325 -5.336 8.968 350 2HB LEU 47 3HB LEU 47 6.321 -5.340 10.714 351 HG LEU 47 HG LEU 47 3.943 -4.171 9.194 352 1HD1 LEU 47 1HD1 LEU 47 2.927 -6.361 9.213 353 2HD1 LEU 47 2HD1 LEU 47 4.452 -6.443 8.308 354 3HD1 LEU 47 3HD1 LEU 47 4.365 -7.085 9.956 355 1HD2 LEU 47 1HD2 LEU 47 4.242 -5.495 11.928 356 2HD2 LEU 47 2HD2 LEU 47 3.847 -3.789 11.619 357 3HD2 LEU 47 3HD2 LEU 47 2.702 -5.049 11.171 358 H GLY 48 H GLY 48 5.569 -4.115 7.545 359 1HA GLY 48 2HA GLY 48 3.998 -2.439 6.479 360 2HA GLY 48 3HA GLY 48 5.377 -1.334 6.422 361 H GLU 49 H GLU 49 7.489 -2.481 5.523 362 HA GLU 49 HA GLU 49 6.971 -2.914 2.822 363 1HB GLU 49 2HB GLU 49 9.181 -2.226 3.961 364 2HB GLU 49 3HB GLU 49 9.488 -3.956 4.181 365 1HG GLU 49 2HG GLU 49 9.162 -4.272 1.714 366 2HG GLU 49 3HG GLU 49 8.891 -2.524 1.555 367 H GLU 50 H GLU 50 7.584 -5.301 5.339 368 HA GLU 50 HA GLU 50 7.666 -7.675 3.825 369 1HB GLU 50 2HB GLU 50 7.697 -6.880 6.589 370 2HB GLU 50 3HB GLU 50 6.319 -7.952 6.459 371 1HG GLU 50 2HG GLU 50 7.874 -9.616 5.317 372 2HG GLU 50 3HG GLU 50 9.206 -8.504 5.726 373 H GLN 51 H GLN 51 4.914 -6.232 5.583 374 HA GLN 51 HA GLN 51 3.110 -8.164 4.604 375 1HB GLN 51 2HB GLN 51 3.100 -6.419 6.656 376 2HB GLN 51 3HB GLN 51 2.088 -5.474 5.568 377 1HG GLN 51 2HG GLN 51 0.422 -7.194 5.543 378 2HG GLN 51 3HG GLN 51 1.593 -8.434 6.049 379 1HE2 GLN 51 1HE2 GLN 51 0.545 -5.243 7.420 380 2HE2 GLN 51 2HE2 GLN 51 0.417 -5.893 9.041 381 H LEU 52 H LEU 52 3.840 -4.831 3.568 382 HA LEU 52 HA LEU 52 1.904 -4.588 1.582 383 1HB LEU 52 2HB LEU 52 4.737 -3.530 1.827 384 2HB LEU 52 3HB LEU 52 3.681 -3.021 0.515 385 HG LEU 52 HG LEU 52 2.771 -2.771 3.390 386 1HD1 LEU 52 1HD1 LEU 52 4.130 -0.500 1.903 387 2HD1 LEU 52 2HD1 LEU 52 3.809 -0.695 3.647 388 3HD1 LEU 52 3HD1 LEU 52 5.063 -1.640 2.879 389 1HD2 LEU 52 1HD2 LEU 52 1.193 -1.217 2.539 390 2HD2 LEU 52 2HD2 LEU 52 2.048 -1.048 0.991 391 3HD2 LEU 52 3HD2 LEU 52 1.172 -2.535 1.375 392 H ARG 53 H ARG 53 5.183 -6.111 1.456 393 HA ARG 53 HA ARG 53 5.281 -6.729 -1.243 394 1HB ARG 53 2HB ARG 53 6.699 -7.467 1.095 395 2HB ARG 53 3HB ARG 53 6.086 -8.979 0.497 396 1HG ARG 53 2HG ARG 53 8.252 -8.649 -0.404 397 2HG ARG 53 3HG ARG 53 7.146 -8.375 -1.763 398 1HD ARG 53 2HD ARG 53 7.391 -5.946 -1.515 399 2HD ARG 53 3HD ARG 53 8.274 -6.151 0.015 400 HE ARG 53 HE ARG 53 9.713 -7.550 -1.943 401 1HH1 ARG 53 2HH2 ARG 53 8.886 -4.211 -1.141 402 2HH1 ARG 53 1HH2 ARG 53 10.261 -3.507 -1.915 403 1HH2 ARG 53 2HH1 ARG 53 11.599 -6.648 -2.938 404 2HH2 ARG 53 1HH1 ARG 53 11.830 -4.927 -2.954 405 H THR 54 H THR 54 3.813 -8.831 1.317 406 HA THR 54 HA THR 54 2.728 -10.644 -0.607 407 HB THR 54 HB THR 54 1.886 -10.205 2.291 408 HG1 THR 54 1HG THR 54 3.975 -11.748 1.148 409 1HG2 THR 54 1HG2 THR 54 1.406 -12.645 2.206 410 2HG2 THR 54 2HG2 THR 54 0.373 -11.739 1.088 411 3HG2 THR 54 3HG2 THR 54 1.761 -12.658 0.465 412 H ALA 55 H ALA 55 1.188 -8.067 1.324 413 HA ALA 55 HA ALA 55 -1.478 -8.551 0.486 414 1HB ALA 55 1HB ALA 55 -0.233 -5.977 1.531 415 2HB ALA 55 2HB ALA 55 -1.969 -6.342 1.453 416 3HB ALA 55 3HB ALA 55 -0.921 -7.279 2.528 417 H ILE 56 H ILE 56 0.869 -6.033 -0.631 418 HA ILE 56 HA ILE 56 -0.682 -5.153 -2.846 419 HB ILE 56 HB ILE 56 2.358 -5.294 -2.728 420 1HG1 ILE 56 2HG1 ILE 56 0.468 -2.950 -2.201 421 2HG1 ILE 56 3HG1 ILE 56 1.243 -3.875 -0.900 422 1HG2 ILE 56 1HG2 ILE 56 1.427 -5.059 -5.031 423 2HG2 ILE 56 2HG2 ILE 56 0.454 -3.681 -4.457 424 3HG2 ILE 56 3HG2 ILE 56 2.234 -3.609 -4.488 425 1HD1 ILE 56 1HD1 ILE 56 2.515 -1.901 -1.195 426 2HD1 ILE 56 2HD1 ILE 56 3.482 -3.210 -1.914 427 3HD1 ILE 56 3HD1 ILE 56 2.573 -2.073 -2.938 428 H ALA 57 H ALA 57 1.841 -7.834 -2.742 429 HA ALA 57 HA ALA 57 1.573 -8.524 -5.433 430 1HB ALA 57 1HB ALA 57 2.123 -10.376 -3.083 431 2HB ALA 57 2HB ALA 57 2.374 -10.773 -4.791 432 3HB ALA 57 3HB ALA 57 3.321 -9.476 -4.049 433 H SER 58 H SER 58 -0.518 -9.513 -2.725 434 HA SER 58 HA SER 58 -2.133 -11.393 -4.028 435 1HB SER 58 2HB SER 58 -2.157 -10.629 -1.562 436 2HB SER 58 3HB SER 58 -3.222 -9.314 -2.092 437 HG SER 58 HG SER 58 -3.706 -12.088 -2.467 438 H ALA 59 H ALA 59 -2.270 -7.825 -4.173 439 HA ALA 59 HA ALA 59 -4.644 -7.807 -5.925 440 1HB ALA 59 1HB ALA 59 -4.200 -5.348 -5.932 441 2HB ALA 59 2HB ALA 59 -4.426 -6.031 -4.306 442 3HB ALA 59 3HB ALA 59 -2.794 -5.640 -4.880 443 H GLY 60 H GLY 60 -1.128 -7.495 -6.151 444 1HA GLY 60 2HA GLY 60 0.251 -7.948 -7.932 445 2HA GLY 60 3HA GLY 60 -1.152 -8.168 -8.982 446 H HIS 61 H HIS 61 0.513 -5.542 -7.159 447 HA HIS 61 HA HIS 61 0.170 -3.709 -9.504 448 1HB HIS 61 2HB HIS 61 0.947 -3.155 -6.633 449 2HB HIS 61 3HB HIS 61 0.907 -1.943 -7.904 450 HD1 HIS 61 1HD HIS 61 -1.216 -0.503 -7.623 451 HD2 HIS 61 2HD HIS 61 -1.562 -4.425 -6.196 452 HE1 HIS 61 1HE HIS 61 -3.486 -0.651 -6.481 453 H GLU 62 H GLU 62 1.952 -2.876 -10.546 454 HA GLU 62 HA GLU 62 4.487 -4.176 -10.414 455 1HB GLU 62 2HB GLU 62 3.424 -1.762 -11.967 456 2HB GLU 62 3HB GLU 62 5.003 -2.503 -12.231 457 1HG GLU 62 2HG GLU 62 3.505 -3.320 -13.909 458 2HG GLU 62 3HG GLU 62 3.944 -4.639 -12.814 459 H VAL 63 H VAL 63 4.361 -3.310 -8.007 460 HA VAL 63 HA VAL 63 5.302 -0.584 -7.626 461 HB VAL 63 HB VAL 63 5.168 -2.856 -5.602 462 1HG1 VAL 63 1HG1 VAL 63 6.534 -0.958 -4.774 463 2HG1 VAL 63 2HG1 VAL 63 5.212 0.163 -5.169 464 3HG1 VAL 63 3HG1 VAL 63 4.998 -1.076 -3.920 465 1HG2 VAL 63 1HG2 VAL 63 3.013 -2.610 -6.457 466 2HG2 VAL 63 2HG2 VAL 63 2.974 -1.532 -5.050 467 3HG2 VAL 63 3HG2 VAL 63 3.159 -0.860 -6.673 468 H GLU 64 H GLU 64 7.263 0.216 -7.092 469 HA GLU 64 HA GLU 64 9.623 -1.602 -6.902 470 1HB GLU 64 2HB GLU 64 9.467 1.345 -7.650 471 2HB GLU 64 3HB GLU 64 10.948 0.399 -7.474 472 1HG GLU 64 2HG GLU 64 10.368 -0.972 -9.405 473 2HG GLU 64 3HG GLU 64 8.767 -0.226 -9.527 Start of MODEL 14 1 1H MET 1 H1 MET 1 9.763 1.577 9.508 2 2H MET 1 H2 MET 1 9.833 1.662 11.162 3 3H MET 1 H3 MET 1 8.385 1.716 10.355 4 HA MET 1 HA MET 1 9.030 3.909 11.126 5 1HB MET 1 2HB MET 1 11.422 3.258 9.365 6 2HB MET 1 3HB MET 1 10.918 4.934 9.570 7 1HG MET 1 2HG MET 1 11.092 4.782 11.988 8 2HG MET 1 3HG MET 1 11.677 3.113 11.864 9 1HE MET 1 1HE MET 1 13.089 5.659 13.381 10 2HE MET 1 2HE MET 1 13.685 3.980 13.457 11 3HE MET 1 3HE MET 1 14.785 5.299 12.991 12 H THR 2 H THR 2 9.264 5.786 8.984 13 HA THR 2 HA THR 2 6.741 5.343 7.626 14 HB THR 2 HB THR 2 7.299 7.638 6.794 15 HG1 THR 2 1HG THR 2 9.589 7.290 6.837 16 1HG2 THR 2 1HG2 THR 2 6.194 7.328 9.040 17 2HG2 THR 2 2HG2 THR 2 7.790 7.414 9.803 18 3HG2 THR 2 3HG2 THR 2 7.156 8.805 8.908 19 H ILE 3 H ILE 3 7.078 3.601 6.118 20 HA ILE 3 HA ILE 3 9.433 3.652 4.352 21 HB ILE 3 HB ILE 3 6.973 1.868 4.253 22 1HG1 ILE 3 2HG1 ILE 3 7.806 1.559 6.472 23 2HG1 ILE 3 3HG1 ILE 3 8.250 0.178 5.487 24 1HG2 ILE 3 1HG2 ILE 3 8.349 1.847 2.234 25 2HG2 ILE 3 2HG2 ILE 3 9.804 1.522 3.187 26 3HG2 ILE 3 3HG2 ILE 3 8.504 0.312 3.100 27 1HD1 ILE 3 1HD1 ILE 3 10.574 1.045 5.285 28 2HD1 ILE 3 2HD1 ILE 3 10.130 2.448 6.287 29 3HD1 ILE 3 3HD1 ILE 3 10.086 0.814 6.969 30 H GLN 4 H GLN 4 9.414 4.761 2.443 31 HA GLN 4 HA GLN 4 6.846 5.748 1.289 32 1HB GLN 4 2HB GLN 4 9.693 6.726 1.248 33 2HB GLN 4 3HB GLN 4 8.624 7.091 -0.116 34 1HG GLN 4 2HG GLN 4 7.029 8.207 1.232 35 2HG GLN 4 3HG GLN 4 7.748 7.609 2.729 36 1HE2 GLN 4 1HE2 GLN 4 8.870 9.395 -0.228 37 2HE2 GLN 4 2HE2 GLN 4 9.752 10.612 0.683 38 H LEU 5 H LEU 5 6.057 4.262 -0.119 39 HA LEU 5 HA LEU 5 7.940 2.957 -2.029 40 1HB LEU 5 2HB LEU 5 5.045 2.192 -1.618 41 2HB LEU 5 3HB LEU 5 6.346 1.330 -2.401 42 HG LEU 5 HG LEU 5 7.487 1.221 -0.071 43 1HD1 LEU 5 1HD1 LEU 5 6.007 2.762 1.267 44 2HD1 LEU 5 2HD1 LEU 5 4.598 1.803 0.800 45 3HD1 LEU 5 3HD1 LEU 5 5.863 1.119 1.837 46 1HD2 LEU 5 1HD2 LEU 5 6.455 -0.680 -1.252 47 2HD2 LEU 5 2HD2 LEU 5 6.143 -0.776 0.489 48 3HD2 LEU 5 3HD2 LEU 5 4.864 -0.202 -0.612 49 H THR 6 H THR 6 7.186 2.842 -4.268 50 HA THR 6 HA THR 6 5.754 5.313 -5.175 51 HB THR 6 HB THR 6 8.312 4.011 -6.209 52 HG1 THR 6 1HG THR 6 7.676 6.356 -4.783 53 1HG2 THR 6 1HG2 THR 6 8.391 5.928 -7.784 54 2HG2 THR 6 2HG2 THR 6 7.038 4.843 -8.126 55 3HG2 THR 6 3HG2 THR 6 6.747 6.391 -7.291 56 H VAL 7 H VAL 7 3.979 4.767 -6.330 57 HA VAL 7 HA VAL 7 3.808 1.969 -7.348 58 HB VAL 7 HB VAL 7 2.424 2.170 -5.503 59 1HG1 VAL 7 1HG1 VAL 7 2.210 4.571 -5.182 60 2HG1 VAL 7 2HG1 VAL 7 1.172 4.707 -6.619 61 3HG1 VAL 7 3HG1 VAL 7 0.625 3.801 -5.203 62 1HG2 VAL 7 1HG2 VAL 7 0.484 2.535 -7.792 63 2HG2 VAL 7 2HG2 VAL 7 1.438 1.060 -7.571 64 3HG2 VAL 7 3HG2 VAL 7 0.290 1.576 -6.323 65 HA PRO 8 HA PRO 8 3.620 4.681 -11.053 66 1HB PRO 8 2HB PRO 8 4.664 2.988 -12.908 67 2HB PRO 8 3HB PRO 8 5.689 3.833 -11.710 68 1HG PRO 8 2HG PRO 8 4.586 1.014 -11.521 69 2HG PRO 8 3HG PRO 8 6.280 1.533 -11.296 70 1HD PRO 8 2HD PRO 8 4.598 1.177 -9.208 71 2HD PRO 8 3HD PRO 8 5.791 2.504 -9.201 72 H THR 9 H THR 9 2.212 1.549 -10.332 73 HA THR 9 HA THR 9 0.448 1.474 -12.599 74 HB THR 9 HB THR 9 0.371 0.015 -10.067 75 HG1 THR 9 1HG THR 9 1.562 -0.651 -12.511 76 1HG2 THR 9 1HG2 THR 9 -1.782 -0.171 -11.250 77 2HG2 THR 9 2HG2 THR 9 -0.940 -0.533 -12.769 78 3HG2 THR 9 3HG2 THR 9 -0.893 -1.696 -11.429 79 H ILE 10 H ILE 10 -0.734 1.421 -9.198 80 HA ILE 10 HA ILE 10 -2.610 2.077 -8.369 81 HB ILE 10 HB ILE 10 -1.187 4.430 -9.185 82 1HG1 ILE 10 2HG1 ILE 10 -3.242 3.816 -7.061 83 2HG1 ILE 10 3HG1 ILE 10 -1.495 3.626 -6.958 84 1HG2 ILE 10 1HG2 ILE 10 -4.163 4.993 -9.225 85 2HG2 ILE 10 2HG2 ILE 10 -2.818 6.120 -9.474 86 3HG2 ILE 10 3HG2 ILE 10 -3.154 4.886 -10.691 87 1HD1 ILE 10 1HD1 ILE 10 -1.234 6.116 -7.234 88 2HD1 ILE 10 2HD1 ILE 10 -3.005 6.269 -7.137 89 3HD1 ILE 10 3HD1 ILE 10 -2.095 5.638 -5.757 90 H ALA 11 H ALA 11 -4.885 2.880 -8.691 91 HA ALA 11 HA ALA 11 -6.914 2.411 -9.605 92 1HB ALA 11 1HB ALA 11 -7.308 3.669 -11.663 93 2HB ALA 11 2HB ALA 11 -6.231 4.571 -10.585 94 3HB ALA 11 3HB ALA 11 -5.565 3.719 -11.997 95 H CYS 12 H CYS 12 -4.877 0.223 -10.085 96 HA CYS 12 HA CYS 12 -5.748 -1.083 -12.572 97 1HB CYS 12 2HB CYS 12 -3.501 -1.478 -11.981 98 2HB CYS 12 3HB CYS 12 -3.905 -1.763 -10.276 99 HG CYS 12 HG CYS 12 -3.208 -4.058 -11.151 100 H GLU 13 H GLU 13 -5.990 -1.694 -9.082 101 HA GLU 13 HA GLU 13 -8.553 -3.155 -9.453 102 1HB GLU 13 2HB GLU 13 -6.566 -4.245 -8.198 103 2HB GLU 13 3HB GLU 13 -6.850 -3.057 -6.929 104 1HG GLU 13 2HG GLU 13 -9.402 -4.264 -7.602 105 2HG GLU 13 3HG GLU 13 -8.211 -5.566 -7.513 106 H ALA 14 H ALA 14 -8.981 -2.237 -6.463 107 HA ALA 14 HA ALA 14 -10.437 0.179 -7.267 108 1HB ALA 14 1HB ALA 14 -11.529 -0.065 -5.106 109 2HB ALA 14 2HB ALA 14 -11.519 -1.617 -5.968 110 3HB ALA 14 3HB ALA 14 -10.383 -1.335 -4.632 111 H CYS 15 H CYS 15 -7.711 0.621 -7.425 112 HA CYS 15 HA CYS 15 -6.371 2.319 -7.124 113 1HB CYS 15 2HB CYS 15 -8.691 3.496 -6.310 114 2HB CYS 15 3HB CYS 15 -7.765 3.594 -4.797 115 HG CYS 15 HG CYS 15 -7.553 5.816 -6.120 116 H ALA 16 H ALA 16 -4.818 3.177 -5.597 117 HA ALA 16 HA ALA 16 -3.446 1.207 -4.160 118 1HB ALA 16 1HB ALA 16 -2.178 3.028 -3.052 119 2HB ALA 16 2HB ALA 16 -2.334 3.257 -4.796 120 3HB ALA 16 3HB ALA 16 -3.348 4.212 -3.686 121 H GLU 17 H GLU 17 -5.866 3.525 -2.801 122 HA GLU 17 HA GLU 17 -5.836 2.896 -0.176 123 1HB GLU 17 2HB GLU 17 -7.656 4.056 -2.047 124 2HB GLU 17 3HB GLU 17 -8.597 2.862 -1.159 125 1HG GLU 17 2HG GLU 17 -6.784 4.844 0.282 126 2HG GLU 17 3HG GLU 17 -8.399 5.261 -0.270 127 H ALA 18 H ALA 18 -7.029 0.695 -2.753 128 HA ALA 18 HA ALA 18 -8.280 -1.260 -1.199 129 1HB ALA 18 1HB ALA 18 -7.628 -2.831 -2.939 130 2HB ALA 18 2HB ALA 18 -8.120 -1.292 -3.673 131 3HB ALA 18 3HB ALA 18 -6.397 -1.716 -3.554 132 H VAL 19 H VAL 19 -4.712 -0.814 -1.789 133 HA VAL 19 HA VAL 19 -4.170 -3.197 -0.289 134 HB VAL 19 HB VAL 19 -2.621 -2.163 -2.016 135 1HG1 VAL 19 1HG1 VAL 19 -0.724 -0.872 -1.149 136 2HG1 VAL 19 2HG1 VAL 19 -2.193 0.079 -0.944 137 3HG1 VAL 19 3HG1 VAL 19 -1.467 -0.739 0.446 138 1HG2 VAL 19 1HG2 VAL 19 -1.104 -3.651 -1.253 139 2HG2 VAL 19 2HG2 VAL 19 -1.029 -3.002 0.392 140 3HG2 VAL 19 3HG2 VAL 19 -2.310 -4.115 -0.087 141 H THR 20 H THR 20 -4.332 0.257 0.422 142 HA THR 20 HA THR 20 -3.270 0.246 3.063 143 HB THR 20 HB THR 20 -5.501 1.945 1.864 144 HG1 THR 20 1HG THR 20 -3.452 2.125 0.892 145 1HG2 THR 20 1HG2 THR 20 -4.024 2.236 4.469 146 2HG2 THR 20 2HG2 THR 20 -4.921 3.546 3.653 147 3HG2 THR 20 3HG2 THR 20 -5.777 2.108 4.222 148 H LYS 21 H LYS 21 -6.706 -0.155 2.043 149 HA LYS 21 HA LYS 21 -7.607 -0.808 4.671 150 1HB LYS 21 2HB LYS 21 -8.898 -1.568 2.024 151 2HB LYS 21 3HB LYS 21 -9.659 -1.496 3.629 152 1HG LYS 21 2HG LYS 21 -8.609 1.010 3.554 153 2HG LYS 21 3HG LYS 21 -8.757 0.749 1.825 154 1HD LYS 21 2HD LYS 21 -11.001 0.460 3.866 155 2HD LYS 21 3HD LYS 21 -10.697 1.901 2.873 156 1HE LYS 21 2HE LYS 21 -11.161 0.753 0.823 157 2HE LYS 21 3HE LYS 21 -11.192 -0.836 1.610 158 1HZ LYS 21 1HZ LYS 21 -13.127 1.317 2.112 159 2HZ LYS 21 2HZ LYS 21 -13.390 -0.004 1.165 160 3HZ LYS 21 3HZ LYS 21 -13.151 -0.189 2.781 161 H ALA 22 H ALA 22 -6.550 -2.891 1.965 162 HA ALA 22 HA ALA 22 -7.093 -5.395 3.156 163 1HB ALA 22 1HB ALA 22 -5.319 -6.313 1.800 164 2HB ALA 22 2HB ALA 22 -6.311 -5.178 0.848 165 3HB ALA 22 3HB ALA 22 -4.700 -4.693 1.440 166 H VAL 23 H VAL 23 -4.021 -3.586 3.258 167 HA VAL 23 HA VAL 23 -2.536 -5.240 4.954 168 HB VAL 23 HB VAL 23 -2.433 -2.275 4.316 169 1HG1 VAL 23 1HG1 VAL 23 -0.180 -2.139 5.081 170 2HG1 VAL 23 2HG1 VAL 23 -1.143 -2.705 6.462 171 3HG1 VAL 23 3HG1 VAL 23 -0.136 -3.840 5.520 172 1HG2 VAL 23 1HG2 VAL 23 -2.028 -4.057 2.479 173 2HG2 VAL 23 2HG2 VAL 23 -0.697 -2.931 2.777 174 3HG2 VAL 23 3HG2 VAL 23 -0.635 -4.583 3.421 175 H GLN 24 H GLN 24 -4.616 -2.408 5.729 176 HA GLN 24 HA GLN 24 -4.287 -2.404 8.518 177 1HB GLN 24 2HB GLN 24 -6.613 -1.645 6.740 178 2HB GLN 24 3HB GLN 24 -6.606 -1.324 8.468 179 1HG GLN 24 2HG GLN 24 -4.232 -0.401 6.824 180 2HG GLN 24 3HG GLN 24 -5.751 0.474 6.692 181 1HE2 GLN 24 1HE2 GLN 24 -2.890 0.802 8.124 182 2HE2 GLN 24 2HE2 GLN 24 -3.383 1.543 9.636 183 H ASN 25 H ASN 25 -5.815 -5.006 6.701 184 HA ASN 25 HA ASN 25 -7.561 -5.819 8.905 185 1HB ASN 25 2HB ASN 25 -6.290 -7.467 6.679 186 2HB ASN 25 3HB ASN 25 -7.321 -8.117 7.948 187 1HD2 ASN 25 1HD2 ASN 25 -7.286 -5.870 5.220 188 2HD2 ASN 25 2HD2 ASN 25 -9.028 -5.882 4.958 189 H GLU 26 H GLU 26 -4.249 -6.778 7.865 190 HA GLU 26 HA GLU 26 -3.791 -8.222 10.362 191 1HB GLU 26 2HB GLU 26 -1.743 -7.554 8.248 192 2HB GLU 26 3HB GLU 26 -1.665 -8.787 9.497 193 1HG GLU 26 2HG GLU 26 -3.669 -9.916 8.427 194 2HG GLU 26 3HG GLU 26 -3.523 -8.784 7.071 195 H ASP 27 H ASP 27 -2.169 -5.373 8.787 196 HA ASP 27 HA ASP 27 -0.933 -4.756 11.396 197 1HB ASP 27 2HB ASP 27 0.317 -4.716 9.142 198 2HB ASP 27 3HB ASP 27 -0.482 -3.183 8.837 199 H ALA 28 H ALA 28 -3.282 -4.519 12.060 200 HA ALA 28 HA ALA 28 -4.895 -2.338 11.109 201 1HB ALA 28 1HB ALA 28 -5.811 -4.380 12.195 202 2HB ALA 28 2HB ALA 28 -5.056 -3.896 13.729 203 3HB ALA 28 3HB ALA 28 -6.343 -2.900 13.017 204 H GLN 29 H GLN 29 -2.254 -2.477 13.258 205 HA GLN 29 HA GLN 29 -2.896 0.063 14.617 206 1HB GLN 29 2HB GLN 29 -0.916 -0.464 15.932 207 2HB GLN 29 3HB GLN 29 -2.132 -1.735 15.998 208 1HG GLN 29 2HG GLN 29 -0.782 -3.131 14.455 209 2HG GLN 29 3HG GLN 29 0.376 -1.810 14.251 210 1HE2 GLN 29 1HE2 GLN 29 -1.228 -3.603 16.973 211 2HE2 GLN 29 2HE2 GLN 29 0.253 -3.767 17.904 212 H ALA 30 H ALA 30 -1.696 -0.671 11.568 213 HA ALA 30 HA ALA 30 0.617 1.101 11.620 214 1HB ALA 30 1HB ALA 30 -0.998 -0.071 9.315 215 2HB ALA 30 2HB ALA 30 0.524 0.825 9.152 216 3HB ALA 30 3HB ALA 30 0.503 -0.716 10.008 217 H THR 31 H THR 31 0.765 3.073 10.416 218 HA THR 31 HA THR 31 -1.815 4.561 10.014 219 HB THR 31 HB THR 31 0.886 5.542 10.968 220 HG1 THR 31 1HG THR 31 -0.725 4.571 12.411 221 1HG2 THR 31 1HG2 THR 31 -1.597 7.150 10.216 222 2HG2 THR 31 2HG2 THR 31 -0.189 7.787 11.088 223 3HG2 THR 31 3HG2 THR 31 -0.007 7.238 9.416 224 H VAL 32 H VAL 32 -1.927 5.765 8.085 225 HA VAL 32 HA VAL 32 -0.072 4.895 5.920 226 HB VAL 32 HB VAL 32 -2.187 4.481 4.618 227 1HG1 VAL 32 1HG1 VAL 32 -2.553 2.446 6.669 228 2HG1 VAL 32 2HG1 VAL 32 -1.852 2.311 5.050 229 3HG1 VAL 32 3HG1 VAL 32 -0.831 2.757 6.417 230 1HG2 VAL 32 1HG2 VAL 32 -4.289 4.020 5.866 231 2HG2 VAL 32 2HG2 VAL 32 -3.555 4.565 7.362 232 3HG2 VAL 32 3HG2 VAL 32 -3.827 5.706 6.029 233 H GLN 33 H GLN 33 0.350 6.556 4.388 234 HA GLN 33 HA GLN 33 -1.718 8.641 4.054 235 1HB GLN 33 2HB GLN 33 1.245 9.200 4.546 236 2HB GLN 33 3HB GLN 33 0.060 10.353 3.923 237 1HG GLN 33 2HG GLN 33 -1.288 9.954 6.068 238 2HG GLN 33 3HG GLN 33 0.106 9.040 6.671 239 1HE2 GLN 33 1HE2 GLN 33 -0.953 12.265 5.509 240 2HE2 GLN 33 2HE2 GLN 33 0.294 13.144 6.376 241 H VAL 34 H VAL 34 -2.263 8.329 1.940 242 HA VAL 34 HA VAL 34 -0.125 7.576 0.010 243 HB VAL 34 HB VAL 34 -1.490 5.672 0.436 244 1HG1 VAL 34 1HG1 VAL 34 -3.531 6.593 1.328 245 2HG1 VAL 34 2HG1 VAL 34 -3.941 7.328 -0.232 246 3HG1 VAL 34 3HG1 VAL 34 -3.887 5.565 -0.064 247 1HG2 VAL 34 1HG2 VAL 34 -0.711 6.230 -1.900 248 2HG2 VAL 34 2HG2 VAL 34 -2.091 5.121 -1.795 249 3HG2 VAL 34 3HG2 VAL 34 -2.335 6.818 -2.249 250 H ASP 35 H ASP 35 0.182 8.916 -1.674 251 HA ASP 35 HA ASP 35 -1.556 11.328 -1.674 252 1HB ASP 35 2HB ASP 35 1.162 11.058 -1.410 253 2HB ASP 35 3HB ASP 35 1.004 11.352 -3.150 254 H LEU 36 H LEU 36 -3.202 10.123 -2.832 255 HA LEU 36 HA LEU 36 -2.930 8.903 -5.360 256 1HB LEU 36 2HB LEU 36 -5.289 10.385 -4.120 257 2HB LEU 36 3HB LEU 36 -5.335 9.658 -5.725 258 HG LEU 36 HG LEU 36 -4.654 7.442 -4.665 259 1HD1 LEU 36 1HD1 LEU 36 -3.977 8.281 -2.429 260 2HD1 LEU 36 2HD1 LEU 36 -5.616 8.892 -2.147 261 3HD1 LEU 36 3HD1 LEU 36 -5.324 7.146 -2.301 262 1HD2 LEU 36 1HD2 LEU 36 -6.912 7.938 -5.528 263 2HD2 LEU 36 2HD2 LEU 36 -6.995 6.948 -4.059 264 3HD2 LEU 36 3HD2 LEU 36 -7.350 8.687 -3.977 265 H THR 37 H THR 37 -2.886 12.321 -4.546 266 HA THR 37 HA THR 37 -3.052 13.816 -6.726 267 HB THR 37 HB THR 37 -0.597 13.588 -4.937 268 HG1 THR 37 1HG THR 37 -1.788 14.134 -3.329 269 1HG2 THR 37 1HG2 THR 37 -0.468 15.384 -6.650 270 2HG2 THR 37 2HG2 THR 37 -2.032 16.024 -6.087 271 3HG2 THR 37 3HG2 THR 37 -0.620 16.045 -5.009 272 H SER 38 H SER 38 -0.393 11.403 -6.178 273 HA SER 38 HA SER 38 0.100 11.402 -9.079 274 1HB SER 38 2HB SER 38 2.376 11.804 -7.094 275 2HB SER 38 3HB SER 38 2.509 11.607 -8.862 276 HG SER 38 HG SER 38 1.280 13.585 -8.999 277 H LYS 39 H LYS 39 2.570 9.801 -7.319 278 HA LYS 39 HA LYS 39 1.059 7.277 -7.121 279 1HB LYS 39 2HB LYS 39 2.717 6.302 -8.756 280 2HB LYS 39 3HB LYS 39 1.445 7.321 -9.392 281 1HG LYS 39 2HG LYS 39 3.206 7.907 -10.633 282 2HG LYS 39 3HG LYS 39 3.236 9.220 -9.482 283 1HD LYS 39 2HD LYS 39 5.244 8.490 -8.519 284 2HD LYS 39 3HD LYS 39 4.852 6.793 -8.767 285 1HE LYS 39 2HE LYS 39 6.739 7.281 -10.147 286 2HE LYS 39 3HE LYS 39 5.336 6.849 -11.127 287 1HZ LYS 39 1HZ LYS 39 5.012 9.204 -11.564 288 2HZ LYS 39 2HZ LYS 39 6.354 9.580 -10.680 289 3HZ LYS 39 3HZ LYS 39 6.493 8.693 -12.057 290 H LYS 40 H LYS 40 1.825 8.341 -4.925 291 HA LYS 40 HA LYS 40 4.363 7.051 -4.075 292 1HB LYS 40 2HB LYS 40 5.009 9.130 -2.903 293 2HB LYS 40 3HB LYS 40 4.916 9.349 -4.656 294 1HG LYS 40 2HG LYS 40 2.395 10.066 -4.026 295 2HG LYS 40 3HG LYS 40 3.144 10.461 -2.486 296 1HD LYS 40 2HD LYS 40 4.117 11.485 -5.199 297 2HD LYS 40 3HD LYS 40 2.852 12.288 -4.252 298 1HE LYS 40 2HE LYS 40 4.380 12.581 -2.347 299 2HE LYS 40 3HE LYS 40 5.695 11.813 -3.262 300 1HZ LYS 40 1HZ LYS 40 5.783 14.214 -3.357 301 2HZ LYS 40 2HZ LYS 40 5.504 13.615 -4.863 302 3HZ LYS 40 3HZ LYS 40 4.274 14.294 -3.998 303 H VAL 41 H VAL 41 4.241 6.176 -1.983 304 HA VAL 41 HA VAL 41 1.845 6.788 -0.377 305 HB VAL 41 HB VAL 41 1.092 4.966 -1.778 306 1HG1 VAL 41 1HG1 VAL 41 3.469 3.376 -0.814 307 2HG1 VAL 41 2HG1 VAL 41 2.152 2.770 -1.829 308 3HG1 VAL 41 3HG1 VAL 41 3.259 3.991 -2.474 309 1HG2 VAL 41 1HG2 VAL 41 0.419 3.408 -0.078 310 2HG2 VAL 41 2HG2 VAL 41 1.848 3.758 0.909 311 3HG2 VAL 41 3HG2 VAL 41 0.583 4.980 0.737 312 H THR 42 H THR 42 2.240 6.820 1.757 313 HA THR 42 HA THR 42 4.951 6.019 2.645 314 HB THR 42 HB THR 42 3.195 8.336 3.545 315 HG1 THR 42 1HG THR 42 4.679 9.581 2.459 316 1HG2 THR 42 1HG2 THR 42 5.263 9.049 4.771 317 2HG2 THR 42 2HG2 THR 42 4.603 7.529 5.394 318 3HG2 THR 42 3HG2 THR 42 6.028 7.505 4.334 319 H ILE 43 H ILE 43 4.734 4.269 3.985 320 HA ILE 43 HA ILE 43 2.234 3.976 5.621 321 HB ILE 43 HB ILE 43 4.095 1.806 4.614 322 1HG1 ILE 43 2HG1 ILE 43 2.894 2.736 2.711 323 2HG1 ILE 43 3HG1 ILE 43 2.295 1.139 3.104 324 1HG2 ILE 43 1HG2 ILE 43 2.154 0.340 5.411 325 2HG2 ILE 43 2HG2 ILE 43 3.090 1.136 6.680 326 3HG2 ILE 43 3HG2 ILE 43 1.506 1.774 6.224 327 1HD1 ILE 43 1HD1 ILE 43 0.340 2.140 4.270 328 2HD1 ILE 43 2HD1 ILE 43 0.883 3.754 3.756 329 3HD1 ILE 43 3HD1 ILE 43 0.420 2.543 2.554 330 H THR 44 H THR 44 2.505 4.219 7.731 331 HA THR 44 HA THR 44 5.237 4.228 8.903 332 HB THR 44 HB THR 44 2.589 5.369 9.784 333 HG1 THR 44 1HG THR 44 3.466 7.316 9.146 334 1HG2 THR 44 1HG2 THR 44 5.395 5.760 10.928 335 2HG2 THR 44 2HG2 THR 44 3.946 6.653 11.437 336 3HG2 THR 44 3HG2 THR 44 4.054 4.911 11.730 337 H SER 45 H SER 45 5.628 2.122 9.364 338 HA SER 45 HA SER 45 4.008 0.780 11.430 339 1HB SER 45 2HB SER 45 3.949 -1.331 9.983 340 2HB SER 45 3HB SER 45 2.885 -0.073 9.446 341 HG SER 45 HG SER 45 5.485 -0.637 8.419 342 H ALA 46 H ALA 46 5.106 -1.413 11.857 343 HA ALA 46 HA ALA 46 8.065 -1.348 11.428 344 1HB ALA 46 1HB ALA 46 7.393 -1.642 13.765 345 2HB ALA 46 2HB ALA 46 6.389 -3.043 13.320 346 3HB ALA 46 3HB ALA 46 8.154 -3.110 13.118 347 H LEU 47 H LEU 47 5.086 -3.385 11.045 348 HA LEU 47 HA LEU 47 6.764 -5.386 9.605 349 1HB LEU 47 2HB LEU 47 5.196 -7.032 10.139 350 2HB LEU 47 3HB LEU 47 5.580 -6.114 11.587 351 HG LEU 47 HG LEU 47 3.359 -4.805 11.091 352 1HD1 LEU 47 1HD1 LEU 47 1.632 -6.393 10.062 353 2HD1 LEU 47 2HD1 LEU 47 2.722 -5.697 8.877 354 3HD1 LEU 47 3HD1 LEU 47 2.973 -7.360 9.437 355 1HD2 LEU 47 1HD2 LEU 47 2.099 -6.485 12.364 356 2HD2 LEU 47 2HD2 LEU 47 3.346 -7.702 12.006 357 3HD2 LEU 47 3HD2 LEU 47 3.735 -6.285 13.009 358 H GLY 48 H GLY 48 3.886 -3.323 9.171 359 1HA GLY 48 2HA GLY 48 2.873 -3.833 6.827 360 2HA GLY 48 3HA GLY 48 3.387 -2.200 7.223 361 H GLU 49 H GLU 49 6.257 -2.635 7.134 362 HA GLU 49 HA GLU 49 6.954 -2.131 4.538 363 1HB GLU 49 2HB GLU 49 8.279 -1.940 6.668 364 2HB GLU 49 3HB GLU 49 8.636 -3.660 6.590 365 1HG GLU 49 2HG GLU 49 9.282 -1.827 4.243 366 2HG GLU 49 3HG GLU 49 10.334 -1.883 5.665 367 H GLU 50 H GLU 50 7.340 -5.426 6.002 368 HA GLU 50 HA GLU 50 7.669 -6.668 3.412 369 1HB GLU 50 2HB GLU 50 8.251 -7.403 6.054 370 2HB GLU 50 3HB GLU 50 6.828 -8.391 5.697 371 1HG GLU 50 2HG GLU 50 8.039 -9.021 3.510 372 2HG GLU 50 3HG GLU 50 9.459 -8.219 4.219 373 H GLN 51 H GLN 51 4.967 -6.348 5.745 374 HA GLN 51 HA GLN 51 3.333 -8.257 4.584 375 1HB GLN 51 2HB GLN 51 3.101 -6.887 6.801 376 2HB GLN 51 3HB GLN 51 2.220 -5.726 5.799 377 1HG GLN 51 2HG GLN 51 1.139 -8.263 5.122 378 2HG GLN 51 3HG GLN 51 1.428 -8.360 6.861 379 1HE2 GLN 51 1HE2 GLN 51 -1.204 -8.392 5.592 380 2HE2 GLN 51 2HE2 GLN 51 -2.012 -6.902 6.019 381 H LEU 52 H LEU 52 3.613 -4.781 3.793 382 HA LEU 52 HA LEU 52 1.663 -4.417 1.865 383 1HB LEU 52 2HB LEU 52 4.538 -3.455 2.113 384 2HB LEU 52 3HB LEU 52 3.504 -2.880 0.815 385 HG LEU 52 HG LEU 52 2.543 -2.641 3.668 386 1HD1 LEU 52 1HD1 LEU 52 4.896 -1.652 3.403 387 2HD1 LEU 52 2HD1 LEU 52 4.208 -0.549 2.203 388 3HD1 LEU 52 3HD1 LEU 52 3.645 -0.515 3.891 389 1HD2 LEU 52 1HD2 LEU 52 2.072 -0.854 1.251 390 2HD2 LEU 52 2HD2 LEU 52 1.062 -2.250 1.627 391 3HD2 LEU 52 3HD2 LEU 52 1.165 -0.909 2.782 392 H ARG 53 H ARG 53 4.953 -5.844 1.531 393 HA ARG 53 HA ARG 53 5.010 -6.005 -1.280 394 1HB ARG 53 2HB ARG 53 6.754 -6.641 0.712 395 2HB ARG 53 3HB ARG 53 6.175 -8.259 0.345 396 1HG ARG 53 2HG ARG 53 8.080 -8.004 -0.945 397 2HG ARG 53 3HG ARG 53 6.788 -7.732 -2.126 398 1HD ARG 53 2HD ARG 53 7.169 -5.319 -2.056 399 2HD ARG 53 3HD ARG 53 8.169 -5.453 -0.619 400 HE ARG 53 HE ARG 53 9.916 -6.522 -1.825 401 1HH1 ARG 53 2HH2 ARG 53 7.852 -4.387 -3.794 402 2HH1 ARG 53 1HH2 ARG 53 8.543 -4.970 -5.294 403 1HH2 ARG 53 2HH1 ARG 53 11.259 -6.489 -3.727 404 2HH2 ARG 53 1HH1 ARG 53 10.756 -5.487 -5.061 405 H THR 54 H THR 54 3.832 -8.312 1.139 406 HA THR 54 HA THR 54 2.898 -10.280 -0.764 407 HB THR 54 HB THR 54 2.138 -9.908 2.167 408 HG1 THR 54 1HG THR 54 4.379 -10.148 1.866 409 1HG2 THR 54 1HG2 THR 54 1.736 -12.355 2.072 410 2HG2 THR 54 2HG2 THR 54 0.620 -11.480 1.007 411 3HG2 THR 54 3HG2 THR 54 2.021 -12.337 0.320 412 H ALA 55 H ALA 55 1.166 -7.826 1.215 413 HA ALA 55 HA ALA 55 -1.451 -8.512 0.397 414 1HB ALA 55 1HB ALA 55 -2.073 -6.309 1.302 415 2HB ALA 55 2HB ALA 55 -0.933 -7.140 2.379 416 3HB ALA 55 3HB ALA 55 -0.360 -5.826 1.330 417 H ILE 56 H ILE 56 0.662 -5.864 -0.753 418 HA ILE 56 HA ILE 56 -0.820 -4.989 -2.992 419 HB ILE 56 HB ILE 56 2.190 -5.313 -2.757 420 1HG1 ILE 56 2HG1 ILE 56 0.625 -2.726 -2.304 421 2HG1 ILE 56 3HG1 ILE 56 1.081 -3.773 -0.967 422 1HG2 ILE 56 1HG2 ILE 56 2.424 -4.038 -4.624 423 2HG2 ILE 56 2HG2 ILE 56 0.961 -4.833 -5.120 424 3HG2 ILE 56 3HG2 ILE 56 0.838 -3.217 -4.441 425 1HD1 ILE 56 1HD1 ILE 56 2.686 -1.989 -1.212 426 2HD1 ILE 56 2HD1 ILE 56 3.466 -3.548 -1.570 427 3HD1 ILE 56 3HD1 ILE 56 3.019 -2.448 -2.881 428 H ALA 57 H ALA 57 1.710 -7.651 -2.937 429 HA ALA 57 HA ALA 57 1.344 -8.290 -5.640 430 1HB ALA 57 1HB ALA 57 3.199 -9.178 -4.285 431 2HB ALA 57 2HB ALA 57 2.069 -10.174 -3.342 432 3HB ALA 57 3HB ALA 57 2.315 -10.501 -5.067 433 H SER 58 H SER 58 -0.559 -9.379 -2.827 434 HA SER 58 HA SER 58 -2.210 -11.257 -4.131 435 1HB SER 58 2HB SER 58 -2.074 -10.553 -1.608 436 2HB SER 58 3HB SER 58 -3.308 -9.355 -2.043 437 HG SER 58 HG SER 58 -3.494 -12.158 -2.458 438 H ALA 59 H ALA 59 -2.390 -7.682 -4.098 439 HA ALA 59 HA ALA 59 -4.951 -7.563 -5.503 440 1HB ALA 59 1HB ALA 59 -4.183 -5.779 -3.944 441 2HB ALA 59 2HB ALA 59 -2.849 -5.402 -5.065 442 3HB ALA 59 3HB ALA 59 -4.531 -5.170 -5.575 443 H GLY 60 H GLY 60 -1.518 -7.028 -6.326 444 1HA GLY 60 2HA GLY 60 -0.487 -7.505 -8.403 445 2HA GLY 60 3HA GLY 60 -2.052 -7.533 -9.216 446 H HIS 61 H HIS 61 0.243 -5.369 -7.537 447 HA HIS 61 HA HIS 61 -0.305 -3.247 -9.592 448 1HB HIS 61 2HB HIS 61 0.366 -2.867 -6.656 449 2HB HIS 61 3HB HIS 61 0.226 -1.573 -7.847 450 HD1 HIS 61 1HD HIS 61 -2.435 -1.425 -8.897 451 HD2 HIS 61 2HD HIS 61 -1.683 -3.199 -5.164 452 HE1 HIS 61 1HE HIS 61 -4.617 -1.282 -7.557 453 H GLU 62 H GLU 62 1.631 -2.377 -10.547 454 HA GLU 62 HA GLU 62 4.038 -3.935 -10.011 455 1HB GLU 62 2HB GLU 62 3.741 -1.643 -11.974 456 2HB GLU 62 3HB GLU 62 4.880 -2.985 -11.997 457 1HG GLU 62 2HG GLU 62 1.864 -3.230 -12.477 458 2HG GLU 62 3HG GLU 62 3.145 -3.263 -13.687 459 H VAL 63 H VAL 63 3.547 -2.602 -7.746 460 HA VAL 63 HA VAL 63 5.339 -0.221 -7.593 461 HB VAL 63 HB VAL 63 3.196 0.094 -6.567 462 1HG1 VAL 63 1HG1 VAL 63 2.328 -1.253 -4.741 463 2HG1 VAL 63 2HG1 VAL 63 2.395 -2.129 -6.268 464 3HG1 VAL 63 3HG1 VAL 63 3.655 -2.413 -5.037 465 1HG2 VAL 63 1HG2 VAL 63 3.799 0.635 -4.270 466 2HG2 VAL 63 2HG2 VAL 63 5.047 -0.615 -4.237 467 3HG2 VAL 63 3HG2 VAL 63 5.288 0.837 -5.205 468 H GLU 64 H GLU 64 7.158 -0.350 -6.247 469 HA GLU 64 HA GLU 64 7.989 -3.090 -5.577 470 1HB GLU 64 2HB GLU 64 9.548 -0.554 -5.994 471 2HB GLU 64 3HB GLU 64 10.182 -1.812 -4.925 472 1HG GLU 64 2HG GLU 64 9.325 -2.394 -7.788 473 2HG GLU 64 3HG GLU 64 10.991 -2.024 -7.302 Start of MODEL 15 1 1H MET 1 H1 MET 1 8.093 3.445 12.095 2 2H MET 1 H2 MET 1 9.586 3.388 12.840 3 3H MET 1 H3 MET 1 9.006 4.797 12.182 4 HA MET 1 HA MET 1 10.541 3.938 10.612 5 1HB MET 1 2HB MET 1 8.789 1.441 10.793 6 2HB MET 1 3HB MET 1 10.076 1.693 9.610 7 1HG MET 1 2HG MET 1 11.757 1.732 11.390 8 2HG MET 1 3HG MET 1 10.499 1.581 12.631 9 1HE MET 1 1HE MET 1 11.741 -0.382 13.785 10 2HE MET 1 2HE MET 1 12.290 -1.832 12.915 11 3HE MET 1 3HE MET 1 13.035 -0.255 12.565 12 H THR 2 H THR 2 9.949 4.376 8.314 13 HA THR 2 HA THR 2 7.070 4.462 7.740 14 HB THR 2 HB THR 2 7.789 6.724 8.620 15 HG1 THR 2 1HG THR 2 5.964 6.634 7.482 16 1HG2 THR 2 1HG2 THR 2 10.023 6.852 7.471 17 2HG2 THR 2 2HG2 THR 2 9.168 7.004 5.917 18 3HG2 THR 2 3HG2 THR 2 8.965 8.244 7.161 19 H ILE 3 H ILE 3 6.737 3.473 5.900 20 HA ILE 3 HA ILE 3 9.054 2.698 4.190 21 HB ILE 3 HB ILE 3 6.414 1.365 4.939 22 1HG1 ILE 3 2HG1 ILE 3 7.886 -0.507 5.599 23 2HG1 ILE 3 3HG1 ILE 3 9.320 0.452 5.240 24 1HG2 ILE 3 1HG2 ILE 3 7.143 -0.500 3.447 25 2HG2 ILE 3 2HG2 ILE 3 6.705 0.954 2.566 26 3HG2 ILE 3 3HG2 ILE 3 8.424 0.544 2.809 27 1HD1 ILE 3 1HD1 ILE 3 7.240 1.261 7.325 28 2HD1 ILE 3 2HD1 ILE 3 8.613 0.195 7.681 29 3HD1 ILE 3 3HD1 ILE 3 8.921 1.846 7.156 30 H GLN 4 H GLN 4 9.094 4.268 2.612 31 HA GLN 4 HA GLN 4 6.598 5.126 1.301 32 1HB GLN 4 2HB GLN 4 8.190 6.876 2.059 33 2HB GLN 4 3HB GLN 4 9.428 6.151 1.013 34 1HG GLN 4 2HG GLN 4 7.351 6.465 -0.784 35 2HG GLN 4 3HG GLN 4 7.044 7.809 0.303 36 1HE2 GLN 4 1HE2 GLN 4 8.787 9.443 0.571 37 2HE2 GLN 4 2HE2 GLN 4 9.961 9.619 -0.728 38 H LEU 5 H LEU 5 6.041 3.941 -0.463 39 HA LEU 5 HA LEU 5 8.133 2.767 -2.255 40 1HB LEU 5 2HB LEU 5 5.597 1.691 -1.051 41 2HB LEU 5 3HB LEU 5 5.918 1.294 -2.736 42 HG LEU 5 HG LEU 5 7.904 0.166 -2.247 43 1HD1 LEU 5 1HD1 LEU 5 9.108 1.414 -0.635 44 2HD1 LEU 5 2HD1 LEU 5 7.780 1.323 0.550 45 3HD1 LEU 5 3HD1 LEU 5 8.745 -0.114 0.153 46 1HD2 LEU 5 1HD2 LEU 5 7.085 -1.593 -0.707 47 2HD2 LEU 5 2HD2 LEU 5 5.935 -0.427 -0.012 48 3HD2 LEU 5 3HD2 LEU 5 5.738 -0.982 -1.690 49 H THR 6 H THR 6 7.305 2.480 -4.475 50 HA THR 6 HA THR 6 5.780 4.874 -5.416 51 HB THR 6 HB THR 6 8.200 3.415 -6.558 52 HG1 THR 6 1HG THR 6 7.815 5.570 -4.960 53 1HG2 THR 6 1HG2 THR 6 6.549 5.716 -7.703 54 2HG2 THR 6 2HG2 THR 6 8.161 5.233 -8.280 55 3HG2 THR 6 3HG2 THR 6 6.803 4.113 -8.437 56 H VAL 7 H VAL 7 3.911 4.341 -6.308 57 HA VAL 7 HA VAL 7 3.466 1.580 -7.418 58 HB VAL 7 HB VAL 7 2.359 1.701 -5.394 59 1HG1 VAL 7 1HG1 VAL 7 2.322 4.076 -4.880 60 2HG1 VAL 7 2HG1 VAL 7 1.123 4.362 -6.140 61 3HG1 VAL 7 3HG1 VAL 7 0.716 3.372 -4.724 62 1HG2 VAL 7 1HG2 VAL 7 1.108 0.752 -7.355 63 2HG2 VAL 7 2HG2 VAL 7 0.114 1.245 -5.973 64 3HG2 VAL 7 3HG2 VAL 7 0.193 2.255 -7.417 65 HA PRO 8 HA PRO 8 3.139 4.800 -10.691 66 1HB PRO 8 2HB PRO 8 3.840 3.267 -12.853 67 2HB PRO 8 3HB PRO 8 5.021 4.011 -11.736 68 1HG PRO 8 2HG PRO 8 3.985 1.168 -11.688 69 2HG PRO 8 3HG PRO 8 5.678 1.723 -11.565 70 1HD PRO 8 2HD PRO 8 4.203 1.084 -9.387 71 2HD PRO 8 3HD PRO 8 5.382 2.416 -9.331 72 H THR 9 H THR 9 1.817 1.536 -10.485 73 HA THR 9 HA THR 9 -0.354 2.048 -12.355 74 HB THR 9 HB THR 9 0.784 -0.106 -12.202 75 HG1 THR 9 1HG THR 9 -1.950 -0.018 -11.507 76 1HG2 THR 9 1HG2 THR 9 0.123 -1.552 -10.191 77 2HG2 THR 9 2HG2 THR 9 1.493 -0.442 -10.010 78 3HG2 THR 9 3HG2 THR 9 -0.082 -0.027 -9.311 79 H ILE 10 H ILE 10 -0.052 3.479 -9.357 80 HA ILE 10 HA ILE 10 -2.329 2.866 -8.056 81 HB ILE 10 HB ILE 10 -0.470 5.035 -8.067 82 1HG1 ILE 10 2HG1 ILE 10 -2.774 4.215 -6.348 83 2HG1 ILE 10 3HG1 ILE 10 -1.129 3.648 -6.193 84 1HG2 ILE 10 1HG2 ILE 10 -3.275 6.197 -7.993 85 2HG2 ILE 10 2HG2 ILE 10 -1.745 7.029 -7.687 86 3HG2 ILE 10 3HG2 ILE 10 -2.093 6.444 -9.307 87 1HD1 ILE 10 1HD1 ILE 10 -2.180 6.406 -5.501 88 2HD1 ILE 10 2HD1 ILE 10 -1.423 5.215 -4.437 89 3HD1 ILE 10 3HD1 ILE 10 -0.442 6.061 -5.648 90 H ALA 11 H ALA 11 -4.479 3.417 -8.051 91 HA ALA 11 HA ALA 11 -6.522 3.610 -8.978 92 1HB ALA 11 1HB ALA 11 -7.023 5.633 -10.220 93 2HB ALA 11 2HB ALA 11 -5.883 6.009 -8.916 94 3HB ALA 11 3HB ALA 11 -5.311 5.888 -10.594 95 H CYS 12 H CYS 12 -4.310 1.956 -10.521 96 HA CYS 12 HA CYS 12 -6.094 1.415 -12.849 97 1HB CYS 12 2HB CYS 12 -3.998 2.760 -13.448 98 2HB CYS 12 3HB CYS 12 -3.057 1.333 -12.973 99 HG CYS 12 HG CYS 12 -5.465 1.682 -15.190 100 H GLU 13 H GLU 13 -6.664 0.163 -10.764 101 HA GLU 13 HA GLU 13 -6.437 -2.527 -11.343 102 1HB GLU 13 2HB GLU 13 -4.128 -2.180 -10.210 103 2HB GLU 13 3HB GLU 13 -5.019 -1.977 -8.704 104 1HG GLU 13 2HG GLU 13 -5.161 -4.427 -10.531 105 2HG GLU 13 3HG GLU 13 -4.090 -4.271 -9.135 106 H ALA 14 H ALA 14 -6.848 -2.395 -7.946 107 HA ALA 14 HA ALA 14 -9.690 -1.539 -8.222 108 1HB ALA 14 1HB ALA 14 -10.065 -3.045 -6.369 109 2HB ALA 14 2HB ALA 14 -9.148 -3.888 -7.633 110 3HB ALA 14 3HB ALA 14 -8.319 -3.308 -6.174 111 H CYS 15 H CYS 15 -7.630 0.468 -7.883 112 HA CYS 15 HA CYS 15 -7.432 2.449 -6.846 113 1HB CYS 15 2HB CYS 15 -9.818 2.506 -6.391 114 2HB CYS 15 3HB CYS 15 -9.609 1.593 -4.879 115 HG CYS 15 HG CYS 15 -8.308 3.179 -3.570 116 H ALA 16 H ALA 16 -6.033 3.316 -5.356 117 HA ALA 16 HA ALA 16 -4.046 1.725 -4.318 118 1HB ALA 16 1HB ALA 16 -4.078 4.282 -4.595 119 2HB ALA 16 2HB ALA 16 -4.814 4.354 -2.989 120 3HB ALA 16 3HB ALA 16 -3.206 3.631 -3.194 121 H GLU 17 H GLU 17 -6.736 3.118 -2.392 122 HA GLU 17 HA GLU 17 -6.306 2.098 0.013 123 1HB GLU 17 2HB GLU 17 -8.727 2.955 -1.420 124 2HB GLU 17 3HB GLU 17 -9.085 1.608 -0.351 125 1HG GLU 17 2HG GLU 17 -7.719 2.972 1.436 126 2HG GLU 17 3HG GLU 17 -8.058 4.343 0.381 127 H ALA 18 H ALA 18 -7.129 0.010 -2.725 128 HA ALA 18 HA ALA 18 -8.034 -2.307 -1.443 129 1HB ALA 18 1HB ALA 18 -6.014 -2.055 -3.719 130 2HB ALA 18 2HB ALA 18 -6.926 -3.515 -3.286 131 3HB ALA 18 3HB ALA 18 -7.784 -2.085 -3.881 132 H VAL 19 H VAL 19 -4.683 -0.982 -1.692 133 HA VAL 19 HA VAL 19 -3.584 -3.271 -0.293 134 HB VAL 19 HB VAL 19 -2.306 -1.670 -1.848 135 1HG1 VAL 19 1HG1 VAL 19 -1.686 -0.267 0.792 136 2HG1 VAL 19 2HG1 VAL 19 -0.936 -0.005 -0.788 137 3HG1 VAL 19 3HG1 VAL 19 -2.623 0.479 -0.531 138 1HG2 VAL 19 1HG2 VAL 19 -1.263 -2.764 0.790 139 2HG2 VAL 19 2HG2 VAL 19 -1.338 -3.582 -0.779 140 3HG2 VAL 19 3HG2 VAL 19 -0.235 -2.213 -0.534 141 H THR 20 H THR 20 -4.510 0.061 0.642 142 HA THR 20 HA THR 20 -3.678 0.143 3.286 143 HB THR 20 HB THR 20 -6.214 1.282 2.042 144 HG1 THR 20 1HG THR 20 -3.599 2.332 2.387 145 1HG2 THR 20 1HG2 THR 20 -6.072 3.029 3.776 146 2HG2 THR 20 2HG2 THR 20 -6.528 1.443 4.386 147 3HG2 THR 20 3HG2 THR 20 -4.878 2.025 4.645 148 H LYS 21 H LYS 21 -6.818 -1.086 2.029 149 HA LYS 21 HA LYS 21 -7.988 -1.642 4.552 150 1HB LYS 21 2HB LYS 21 -8.358 -3.228 1.990 151 2HB LYS 21 3HB LYS 21 -9.493 -3.123 3.334 152 1HG LYS 21 2HG LYS 21 -8.828 -0.456 2.166 153 2HG LYS 21 3HG LYS 21 -9.443 -1.618 0.986 154 1HD LYS 21 2HD LYS 21 -11.394 -1.977 2.685 155 2HD LYS 21 3HD LYS 21 -10.746 -0.530 3.491 156 1HE LYS 21 2HE LYS 21 -10.805 0.232 0.787 157 2HE LYS 21 3HE LYS 21 -12.217 -0.824 0.890 158 1HZ LYS 21 1HZ LYS 21 -12.805 1.418 1.338 159 2HZ LYS 21 2HZ LYS 21 -12.857 0.682 2.822 160 3HZ LYS 21 3HZ LYS 21 -11.554 1.624 2.353 161 H ALA 22 H ALA 22 -5.858 -3.587 2.439 162 HA ALA 22 HA ALA 22 -6.111 -6.031 4.009 163 1HB ALA 22 1HB ALA 22 -4.195 -6.770 2.620 164 2HB ALA 22 2HB ALA 22 -5.516 -6.086 1.638 165 3HB ALA 22 3HB ALA 22 -4.068 -5.118 1.975 166 H VAL 23 H VAL 23 -3.707 -3.418 3.705 167 HA VAL 23 HA VAL 23 -1.861 -4.468 5.577 168 HB VAL 23 HB VAL 23 -2.298 -1.531 4.938 169 1HG1 VAL 23 1HG1 VAL 23 -0.610 -2.038 6.744 170 2HG1 VAL 23 2HG1 VAL 23 0.229 -3.116 5.593 171 3HG1 VAL 23 3HG1 VAL 23 0.153 -1.384 5.273 172 1HG2 VAL 23 1HG2 VAL 23 -0.161 -2.912 3.406 173 2HG2 VAL 23 2HG2 VAL 23 -1.757 -3.431 2.943 174 3HG2 VAL 23 3HG2 VAL 23 -1.340 -1.701 2.898 175 H GLN 24 H GLN 24 -4.666 -2.311 6.008 176 HA GLN 24 HA GLN 24 -4.298 -2.030 8.859 177 1HB GLN 24 2HB GLN 24 -6.671 -1.626 7.016 178 2HB GLN 24 3HB GLN 24 -6.663 -1.170 8.722 179 1HG GLN 24 2HG GLN 24 -4.433 -0.151 6.908 180 2HG GLN 24 3HG GLN 24 -6.017 0.572 6.824 181 1HE2 GLN 24 1HE2 GLN 24 -3.067 0.989 8.211 182 2HE2 GLN 24 2HE2 GLN 24 -3.564 1.830 9.671 183 H ASN 25 H ASN 25 -5.755 -4.585 6.849 184 HA ASN 25 HA ASN 25 -7.311 -5.730 9.019 185 1HB ASN 25 2HB ASN 25 -6.146 -7.060 6.533 186 2HB ASN 25 3HB ASN 25 -7.191 -7.842 7.709 187 1HD2 ASN 25 1HD2 ASN 25 -7.741 -7.514 4.876 188 2HD2 ASN 25 2HD2 ASN 25 -9.220 -6.567 4.796 189 H GLU 26 H GLU 26 -4.067 -6.504 7.646 190 HA GLU 26 HA GLU 26 -3.458 -8.369 9.780 191 1HB GLU 26 2HB GLU 26 -1.791 -7.061 7.598 192 2HB GLU 26 3HB GLU 26 -1.201 -8.347 8.664 193 1HG GLU 26 2HG GLU 26 -3.776 -8.845 7.131 194 2HG GLU 26 3HG GLU 26 -2.260 -8.908 6.259 195 H ASP 27 H ASP 27 -2.094 -5.186 8.884 196 HA ASP 27 HA ASP 27 -0.726 -4.967 11.511 197 1HB ASP 27 2HB ASP 27 0.474 -4.836 9.257 198 2HB ASP 27 3HB ASP 27 -0.333 -3.295 8.979 199 H ALA 28 H ALA 28 -3.054 -4.661 12.303 200 HA ALA 28 HA ALA 28 -4.655 -2.469 11.398 201 1HB ALA 28 1HB ALA 28 -6.051 -2.943 13.365 202 2HB ALA 28 2HB ALA 28 -5.573 -4.456 12.568 203 3HB ALA 28 3HB ALA 28 -4.759 -3.945 14.067 204 H GLN 29 H GLN 29 -2.157 -2.645 13.709 205 HA GLN 29 HA GLN 29 -2.522 -0.026 14.921 206 1HB GLN 29 2HB GLN 29 -0.168 -0.555 15.727 207 2HB GLN 29 3HB GLN 29 -1.441 -1.656 16.248 208 1HG GLN 29 2HG GLN 29 -0.563 -3.434 15.125 209 2HG GLN 29 3HG GLN 29 -0.170 -2.459 13.706 210 1HE2 GLN 29 1HE2 GLN 29 1.847 -2.901 13.201 211 2HE2 GLN 29 2HE2 GLN 29 3.208 -2.797 14.342 212 H ALA 30 H ALA 30 -1.756 -0.741 11.720 213 HA ALA 30 HA ALA 30 0.519 1.034 11.401 214 1HB ALA 30 1HB ALA 30 0.093 0.611 8.981 215 2HB ALA 30 2HB ALA 30 0.103 -0.903 9.913 216 3HB ALA 30 3HB ALA 30 -1.429 -0.178 9.388 217 H THR 31 H THR 31 0.479 2.926 9.964 218 HA THR 31 HA THR 31 -2.173 4.250 9.584 219 HB THR 31 HB THR 31 0.432 5.430 10.625 220 HG1 THR 31 1HG THR 31 -1.480 4.405 11.885 221 1HG2 THR 31 1HG2 THR 31 -0.445 7.037 8.988 222 2HG2 THR 31 2HG2 THR 31 -2.079 6.888 9.684 223 3HG2 THR 31 3HG2 THR 31 -0.763 7.615 10.629 224 H VAL 32 H VAL 32 -2.343 5.345 7.598 225 HA VAL 32 HA VAL 32 -0.183 4.755 5.637 226 HB VAL 32 HB VAL 32 -1.749 4.201 3.995 227 1HG1 VAL 32 1HG1 VAL 32 -2.884 2.777 6.426 228 2HG1 VAL 32 2HG1 VAL 32 -2.604 2.147 4.789 229 3HG1 VAL 32 3HG1 VAL 32 -1.235 2.477 5.858 230 1HG2 VAL 32 1HG2 VAL 32 -4.184 4.186 4.310 231 2HG2 VAL 32 2HG2 VAL 32 -4.008 4.922 5.915 232 3HG2 VAL 32 3HG2 VAL 32 -3.561 5.813 4.442 233 H GLN 33 H GLN 33 0.251 6.355 4.135 234 HA GLN 33 HA GLN 33 -1.450 8.756 3.898 235 1HB GLN 33 2HB GLN 33 1.458 8.690 4.796 236 2HB GLN 33 3HB GLN 33 0.801 10.070 3.904 237 1HG GLN 33 2HG GLN 33 -0.848 10.515 5.626 238 2HG GLN 33 3HG GLN 33 -0.434 9.031 6.489 239 1HE2 GLN 33 1HE2 GLN 33 1.123 12.102 5.380 240 2HE2 GLN 33 2HE2 GLN 33 2.155 12.206 6.798 241 H VAL 34 H VAL 34 -2.021 8.080 1.820 242 HA VAL 34 HA VAL 34 0.205 7.546 -0.090 243 HB VAL 34 HB VAL 34 -0.970 5.527 0.198 244 1HG1 VAL 34 1HG1 VAL 34 -3.387 5.237 -0.219 245 2HG1 VAL 34 2HG1 VAL 34 -3.048 6.172 1.241 246 3HG1 VAL 34 3HG1 VAL 34 -3.591 6.995 -0.234 247 1HG2 VAL 34 1HG2 VAL 34 -0.392 6.248 -2.144 248 2HG2 VAL 34 2HG2 VAL 34 -1.708 5.069 -2.035 249 3HG2 VAL 34 3HG2 VAL 34 -2.074 6.777 -2.347 250 H ASP 35 H ASP 35 0.474 8.980 -1.688 251 HA ASP 35 HA ASP 35 -1.539 11.168 -1.883 252 1HB ASP 35 2HB ASP 35 1.195 10.816 -3.097 253 2HB ASP 35 3HB ASP 35 0.152 12.212 -3.334 254 H LEU 36 H LEU 36 -3.172 9.750 -2.828 255 HA LEU 36 HA LEU 36 -2.881 8.542 -5.410 256 1HB LEU 36 2HB LEU 36 -5.348 9.784 -4.115 257 2HB LEU 36 3HB LEU 36 -5.327 8.942 -5.663 258 HG LEU 36 HG LEU 36 -4.105 7.042 -4.137 259 1HD1 LEU 36 1HD1 LEU 36 -5.348 6.818 -2.033 260 2HD1 LEU 36 2HD1 LEU 36 -4.445 8.340 -2.031 261 3HD1 LEU 36 3HD1 LEU 36 -6.193 8.350 -2.331 262 1HD2 LEU 36 1HD2 LEU 36 -5.980 6.688 -5.679 263 2HD2 LEU 36 2HD2 LEU 36 -6.316 5.922 -4.120 264 3HD2 LEU 36 3HD2 LEU 36 -7.097 7.461 -4.532 265 H THR 37 H THR 37 -2.996 11.922 -4.488 266 HA THR 37 HA THR 37 -3.467 13.239 -6.858 267 HB THR 37 HB THR 37 -1.207 13.793 -4.898 268 HG1 THR 37 1HG THR 37 -3.983 14.267 -4.531 269 1HG2 THR 37 1HG2 THR 37 -3.148 15.637 -6.380 270 2HG2 THR 37 2HG2 THR 37 -1.975 16.158 -5.151 271 3HG2 THR 37 3HG2 THR 37 -1.405 15.475 -6.681 272 H SER 38 H SER 38 -0.786 11.002 -6.202 273 HA SER 38 HA SER 38 0.267 11.533 -8.881 274 1HB SER 38 2HB SER 38 2.004 11.813 -6.390 275 2HB SER 38 3HB SER 38 2.584 11.791 -8.079 276 HG SER 38 HG SER 38 0.646 13.574 -7.955 277 H LYS 39 H LYS 39 2.469 9.761 -6.944 278 HA LYS 39 HA LYS 39 1.086 7.217 -7.241 279 1HB LYS 39 2HB LYS 39 2.537 6.294 -8.968 280 2HB LYS 39 3HB LYS 39 1.548 7.624 -9.547 281 1HG LYS 39 2HG LYS 39 3.699 9.099 -9.146 282 2HG LYS 39 3HG LYS 39 4.529 7.523 -9.087 283 1HD LYS 39 2HD LYS 39 3.153 7.023 -11.275 284 2HD LYS 39 3HD LYS 39 2.878 8.754 -11.349 285 1HE LYS 39 2HE LYS 39 5.627 7.367 -11.280 286 2HE LYS 39 3HE LYS 39 4.797 7.852 -12.761 287 1HZ LYS 39 1HZ LYS 39 4.919 10.126 -12.055 288 2HZ LYS 39 2HZ LYS 39 5.678 9.706 -10.652 289 3HZ LYS 39 3HZ LYS 39 6.419 9.459 -12.099 290 H LYS 40 H LYS 40 2.152 8.508 -5.085 291 HA LYS 40 HA LYS 40 4.504 6.860 -4.289 292 1HB LYS 40 2HB LYS 40 5.232 8.775 -2.911 293 2HB LYS 40 3HB LYS 40 5.234 9.125 -4.645 294 1HG LYS 40 2HG LYS 40 2.852 10.130 -4.217 295 2HG LYS 40 3HG LYS 40 3.309 10.139 -2.513 296 1HD LYS 40 2HD LYS 40 4.900 11.414 -4.774 297 2HD LYS 40 3HD LYS 40 3.556 12.226 -3.946 298 1HE LYS 40 2HE LYS 40 4.647 12.152 -1.802 299 2HE LYS 40 3HE LYS 40 5.968 11.150 -2.419 300 1HZ LYS 40 1HZ LYS 40 6.674 12.984 -3.757 301 2HZ LYS 40 2HZ LYS 40 5.371 13.895 -3.309 302 3HZ LYS 40 3HZ LYS 40 6.517 13.498 -2.201 303 H VAL 41 H VAL 41 4.136 5.655 -2.503 304 HA VAL 41 HA VAL 41 1.677 6.187 -0.896 305 HB VAL 41 HB VAL 41 1.246 4.230 -2.203 306 1HG1 VAL 41 1HG1 VAL 41 3.963 3.191 -1.322 307 2HG1 VAL 41 2HG1 VAL 41 2.734 2.219 -2.151 308 3HG1 VAL 41 3HG1 VAL 41 3.474 3.586 -2.982 309 1HG2 VAL 41 1HG2 VAL 41 0.724 4.101 0.273 310 2HG2 VAL 41 2HG2 VAL 41 0.951 2.528 -0.512 311 3HG2 VAL 41 3HG2 VAL 41 2.249 3.220 0.476 312 H THR 42 H THR 42 1.990 6.123 1.410 313 HA THR 42 HA THR 42 4.634 5.184 2.341 314 HB THR 42 HB THR 42 3.384 7.890 2.907 315 HG1 THR 42 1HG THR 42 5.052 7.045 1.124 316 1HG2 THR 42 1HG2 THR 42 5.740 6.527 4.276 317 2HG2 THR 42 2HG2 THR 42 5.333 8.253 4.398 318 3HG2 THR 42 3HG2 THR 42 4.215 7.044 5.040 319 H ILE 43 H ILE 43 4.361 3.663 3.789 320 HA ILE 43 HA ILE 43 1.900 3.669 5.520 321 HB ILE 43 HB ILE 43 3.612 1.469 4.393 322 1HG1 ILE 43 2HG1 ILE 43 1.334 0.390 4.085 323 2HG1 ILE 43 3HG1 ILE 43 0.583 1.822 4.773 324 1HG2 ILE 43 1HG2 ILE 43 1.873 1.179 6.858 325 2HG2 ILE 43 2HG2 ILE 43 2.557 -0.157 5.903 326 3HG2 ILE 43 3HG2 ILE 43 3.636 0.934 6.756 327 1HD1 ILE 43 1HD1 ILE 43 0.467 1.669 2.283 328 2HD1 ILE 43 2HD1 ILE 43 1.233 3.154 2.847 329 3HD1 ILE 43 3HD1 ILE 43 2.238 1.813 2.230 330 H THR 44 H THR 44 2.286 4.132 7.580 331 HA THR 44 HA THR 44 5.072 3.930 8.669 332 HB THR 44 HB THR 44 2.774 5.734 9.501 333 HG1 THR 44 1HG THR 44 3.769 6.393 7.609 334 1HG2 THR 44 1HG2 THR 44 5.649 5.661 10.508 335 2HG2 THR 44 2HG2 THR 44 4.375 6.779 11.007 336 3HG2 THR 44 3HG2 THR 44 4.246 5.060 11.421 337 H SER 45 H SER 45 4.997 1.754 9.221 338 HA SER 45 HA SER 45 3.394 1.219 11.617 339 1HB SER 45 2HB SER 45 2.540 -0.838 10.868 340 2HB SER 45 3HB SER 45 2.225 0.240 9.514 341 HG SER 45 HG SER 45 3.232 -1.889 9.158 342 H ALA 46 H ALA 46 4.212 -1.361 12.025 343 HA ALA 46 HA ALA 46 7.095 -1.102 12.545 344 1HB ALA 46 1HB ALA 46 6.794 -3.182 13.794 345 2HB ALA 46 2HB ALA 46 5.602 -1.967 14.298 346 3HB ALA 46 3HB ALA 46 5.115 -3.307 13.232 347 H LEU 47 H LEU 47 4.862 -3.002 10.431 348 HA LEU 47 HA LEU 47 7.280 -4.432 9.332 349 1HB LEU 47 2HB LEU 47 6.045 -6.422 9.116 350 2HB LEU 47 3HB LEU 47 6.001 -5.922 10.795 351 HG LEU 47 HG LEU 47 3.681 -4.949 9.184 352 1HD1 LEU 47 1HD1 LEU 47 3.987 -7.933 9.672 353 2HD1 LEU 47 2HD1 LEU 47 2.546 -7.097 9.047 354 3HD1 LEU 47 3HD1 LEU 47 4.035 -7.137 8.087 355 1HD2 LEU 47 1HD2 LEU 47 2.421 -5.781 11.129 356 2HD2 LEU 47 2HD2 LEU 47 3.891 -6.522 11.786 357 3HD2 LEU 47 3HD2 LEU 47 3.770 -4.753 11.646 358 H GLY 48 H GLY 48 5.976 -1.978 8.401 359 1HA GLY 48 2HA GLY 48 4.038 -2.121 6.569 360 2HA GLY 48 3HA GLY 48 5.409 -1.009 6.399 361 H GLU 49 H GLU 49 7.512 -2.547 5.726 362 HA GLU 49 HA GLU 49 7.118 -2.919 2.979 363 1HB GLU 49 2HB GLU 49 9.231 -2.406 4.369 364 2HB GLU 49 3HB GLU 49 9.378 -4.150 4.606 365 1HG GLU 49 2HG GLU 49 9.394 -4.432 2.102 366 2HG GLU 49 3HG GLU 49 9.271 -2.668 1.932 367 H GLU 50 H GLU 50 7.404 -5.342 5.584 368 HA GLU 50 HA GLU 50 7.222 -7.688 3.952 369 1HB GLU 50 2HB GLU 50 7.245 -7.040 6.841 370 2HB GLU 50 3HB GLU 50 6.080 -8.307 6.468 371 1HG GLU 50 2HG GLU 50 7.815 -9.596 5.277 372 2HG GLU 50 3HG GLU 50 9.019 -8.361 5.707 373 H GLN 51 H GLN 51 4.784 -5.923 5.905 374 HA GLN 51 HA GLN 51 2.592 -7.503 5.253 375 1HB GLN 51 2HB GLN 51 2.917 -5.423 6.915 376 2HB GLN 51 3HB GLN 51 2.290 -4.489 5.572 377 1HG GLN 51 2HG GLN 51 1.007 -6.844 7.003 378 2HG GLN 51 3HG GLN 51 0.444 -5.164 6.994 379 1HE2 GLN 51 1HE2 GLN 51 -0.449 -8.094 5.813 380 2HE2 GLN 51 2HE2 GLN 51 -1.123 -7.594 4.278 381 H LEU 52 H LEU 52 3.599 -4.399 3.737 382 HA LEU 52 HA LEU 52 1.804 -4.338 1.653 383 1HB LEU 52 2HB LEU 52 4.655 -3.334 1.943 384 2HB LEU 52 3HB LEU 52 3.696 -2.960 0.523 385 HG LEU 52 HG LEU 52 2.702 -2.332 3.322 386 1HD1 LEU 52 1HD1 LEU 52 4.875 -1.224 2.879 387 2HD1 LEU 52 2HD1 LEU 52 4.201 -0.529 1.383 388 3HD1 LEU 52 3HD1 LEU 52 3.527 -0.080 2.952 389 1HD2 LEU 52 1HD2 LEU 52 1.245 -0.745 2.131 390 2HD2 LEU 52 2HD2 LEU 52 1.967 -1.192 0.579 391 3HD2 LEU 52 3HD2 LEU 52 0.995 -2.362 1.486 392 H ARG 53 H ARG 53 4.991 -6.026 1.718 393 HA ARG 53 HA ARG 53 5.110 -6.929 -0.879 394 1HB ARG 53 2HB ARG 53 6.374 -7.583 1.536 395 2HB ARG 53 3HB ARG 53 5.530 -9.064 1.164 396 1HG ARG 53 2HG ARG 53 7.670 -9.273 0.215 397 2HG ARG 53 3HG ARG 53 6.627 -8.915 -1.174 398 1HD ARG 53 2HD ARG 53 7.343 -6.487 -1.021 399 2HD ARG 53 3HD ARG 53 8.232 -6.860 0.442 400 HE ARG 53 HE ARG 53 9.982 -7.664 -0.716 401 1HH1 ARG 53 2HH2 ARG 53 7.236 -7.462 -2.902 402 2HH1 ARG 53 1HH2 ARG 53 8.134 -7.782 -4.354 403 1HH2 ARG 53 2HH1 ARG 53 11.221 -8.173 -2.597 404 2HH2 ARG 53 1HH1 ARG 53 10.469 -8.235 -4.159 405 H THR 54 H THR 54 3.187 -8.432 1.768 406 HA THR 54 HA THR 54 1.971 -10.352 -0.001 407 HB THR 54 HB THR 54 1.169 -9.466 2.808 408 HG1 THR 54 1HG THR 54 2.896 -11.500 1.842 409 1HG2 THR 54 1HG2 THR 54 0.184 -11.749 2.937 410 2HG2 THR 54 2HG2 THR 54 -0.641 -10.740 1.739 411 3HG2 THR 54 3HG2 THR 54 0.512 -11.986 1.207 412 H ALA 55 H ALA 55 0.710 -7.364 1.615 413 HA ALA 55 HA ALA 55 -1.920 -7.603 0.570 414 1HB ALA 55 1HB ALA 55 -0.344 -5.196 1.543 415 2HB ALA 55 2HB ALA 55 -2.050 -5.130 1.075 416 3HB ALA 55 3HB ALA 55 -1.549 -6.167 2.422 417 H ILE 56 H ILE 56 0.740 -5.492 -0.572 418 HA ILE 56 HA ILE 56 -0.458 -4.516 -2.925 419 HB ILE 56 HB ILE 56 2.457 -5.272 -2.501 420 1HG1 ILE 56 2HG1 ILE 56 1.050 -2.574 -2.350 421 2HG1 ILE 56 3HG1 ILE 56 1.549 -3.526 -0.937 422 1HG2 ILE 56 1HG2 ILE 56 2.971 -3.896 -4.415 423 2HG2 ILE 56 2HG2 ILE 56 1.830 -5.089 -4.951 424 3HG2 ILE 56 3HG2 ILE 56 1.251 -3.453 -4.563 425 1HD1 ILE 56 1HD1 ILE 56 3.191 -1.797 -1.363 426 2HD1 ILE 56 2HD1 ILE 56 3.919 -3.389 -1.713 427 3HD1 ILE 56 3HD1 ILE 56 3.393 -2.323 -3.022 428 H ALA 57 H ALA 57 1.335 -7.653 -2.526 429 HA ALA 57 HA ALA 57 0.996 -8.403 -5.267 430 1HB ALA 57 1HB ALA 57 1.399 -10.153 -2.803 431 2HB ALA 57 2HB ALA 57 1.578 -10.670 -4.491 432 3HB ALA 57 3HB ALA 57 2.677 -9.449 -3.821 433 H SER 58 H SER 58 -1.004 -8.924 -2.371 434 HA SER 58 HA SER 58 -2.880 -10.723 -3.464 435 1HB SER 58 2HB SER 58 -2.584 -10.040 -1.024 436 2HB SER 58 3HB SER 58 -3.505 -8.570 -1.398 437 HG SER 58 HG SER 58 -4.419 -11.230 -1.809 438 H ALA 59 H ALA 59 -2.876 -7.123 -3.427 439 HA ALA 59 HA ALA 59 -5.272 -6.856 -5.048 440 1HB ALA 59 1HB ALA 59 -2.923 -4.950 -4.651 441 2HB ALA 59 2HB ALA 59 -4.473 -4.551 -5.420 442 3HB ALA 59 3HB ALA 59 -4.424 -4.995 -3.702 443 H GLY 60 H GLY 60 -1.802 -6.645 -5.812 444 1HA GLY 60 2HA GLY 60 -0.751 -7.745 -7.630 445 2HA GLY 60 3HA GLY 60 -2.247 -7.691 -8.569 446 H HIS 61 H HIS 61 -0.112 -5.341 -6.838 447 HA HIS 61 HA HIS 61 -0.259 -3.538 -9.234 448 1HB HIS 61 2HB HIS 61 0.186 -2.942 -6.310 449 2HB HIS 61 3HB HIS 61 0.527 -1.782 -7.585 450 HD1 HIS 61 1HD HIS 61 -1.831 -1.195 -9.151 451 HD2 HIS 61 2HD HIS 61 -1.934 -2.326 -5.105 452 HE1 HIS 61 1HE HIS 61 -3.768 0.062 -8.088 453 H GLU 62 H GLU 62 1.618 -2.776 -10.129 454 HA GLU 62 HA GLU 62 4.064 -4.283 -9.751 455 1HB GLU 62 2HB GLU 62 3.354 -1.983 -11.637 456 2HB GLU 62 3HB GLU 62 4.739 -3.074 -11.777 457 1HG GLU 62 2HG GLU 62 1.816 -3.959 -11.980 458 2HG GLU 62 3HG GLU 62 2.886 -3.621 -13.340 459 H VAL 63 H VAL 63 3.862 -3.172 -7.476 460 HA VAL 63 HA VAL 63 4.895 -0.429 -7.337 461 HB VAL 63 HB VAL 63 4.561 -2.445 -5.091 462 1HG1 VAL 63 1HG1 VAL 63 5.921 -0.505 -4.412 463 2HG1 VAL 63 2HG1 VAL 63 4.679 0.598 -5.046 464 3HG1 VAL 63 3HG1 VAL 63 4.331 -0.418 -3.657 465 1HG2 VAL 63 1HG2 VAL 63 2.349 -1.161 -4.750 466 2HG2 VAL 63 2HG2 VAL 63 2.645 -0.454 -6.347 467 3HG2 VAL 63 3HG2 VAL 63 2.417 -2.196 -6.183 468 H GLU 64 H GLU 64 6.922 0.272 -6.585 469 HA GLU 64 HA GLU 64 9.022 -1.750 -6.045 470 1HB GLU 64 2HB GLU 64 9.333 0.791 -7.710 471 2HB GLU 64 3HB GLU 64 10.649 -0.238 -7.125 472 1HG GLU 64 2HG GLU 64 9.748 -2.144 -8.450 473 2HG GLU 64 3HG GLU 64 8.464 -1.098 -9.078 Start of MODEL 16 1 1H MET 1 H1 MET 1 8.948 5.185 11.630 2 2H MET 1 H2 MET 1 10.464 5.787 11.898 3 3H MET 1 H3 MET 1 9.475 6.485 10.767 4 HA MET 1 HA MET 1 11.127 5.155 9.697 5 1HB MET 1 2HB MET 1 11.044 3.603 11.874 6 2HB MET 1 3HB MET 1 9.897 2.667 10.924 7 1HG MET 1 2HG MET 1 12.772 3.386 10.225 8 2HG MET 1 3HG MET 1 12.153 1.804 10.705 9 1HE MET 1 1HE MET 1 13.493 0.729 8.743 10 2HE MET 1 2HE MET 1 13.346 1.239 7.046 11 3HE MET 1 3HE MET 1 14.079 2.335 8.241 12 H THR 2 H THR 2 9.782 6.084 8.014 13 HA THR 2 HA THR 2 7.099 4.853 7.651 14 HB THR 2 HB THR 2 7.259 7.301 8.132 15 HG1 THR 2 1HG THR 2 5.443 6.524 7.245 16 1HG2 THR 2 1HG2 THR 2 8.229 7.540 5.252 17 2HG2 THR 2 2HG2 THR 2 7.812 8.847 6.366 18 3HG2 THR 2 3HG2 THR 2 9.247 7.853 6.676 19 H ILE 3 H ILE 3 6.729 3.611 5.910 20 HA ILE 3 HA ILE 3 8.974 3.077 4.078 21 HB ILE 3 HB ILE 3 6.305 1.661 4.404 22 1HG1 ILE 3 2HG1 ILE 3 7.330 1.541 6.575 23 2HG1 ILE 3 3HG1 ILE 3 7.491 -0.011 5.768 24 1HG2 ILE 3 1HG2 ILE 3 8.945 0.795 3.156 25 2HG2 ILE 3 2HG2 ILE 3 7.515 -0.235 3.381 26 3HG2 ILE 3 3HG2 ILE 3 7.436 1.169 2.313 27 1HD1 ILE 3 1HD1 ILE 3 9.533 0.559 6.962 28 2HD1 ILE 3 2HD1 ILE 3 9.873 0.517 5.227 29 3HD1 ILE 3 3HD1 ILE 3 9.698 2.074 6.068 30 H GLN 4 H GLN 4 8.995 4.739 2.616 31 HA GLN 4 HA GLN 4 6.554 5.549 1.156 32 1HB GLN 4 2HB GLN 4 9.293 6.658 1.543 33 2HB GLN 4 3HB GLN 4 8.631 6.830 -0.088 34 1HG GLN 4 2HG GLN 4 6.614 7.885 0.737 35 2HG GLN 4 3HG GLN 4 7.131 7.655 2.411 36 1HE2 GLN 4 1HE2 GLN 4 8.046 9.258 -0.681 37 2HE2 GLN 4 2HE2 GLN 4 8.884 10.594 0.092 38 H LEU 5 H LEU 5 5.892 4.206 -0.412 39 HA LEU 5 HA LEU 5 7.916 2.999 -2.260 40 1HB LEU 5 2HB LEU 5 5.058 2.156 -1.728 41 2HB LEU 5 3HB LEU 5 6.242 1.294 -2.712 42 HG LEU 5 HG LEU 5 6.565 1.787 0.295 43 1HD1 LEU 5 1HD1 LEU 5 5.866 -0.533 0.584 44 2HD1 LEU 5 2HD1 LEU 5 4.583 0.507 -0.076 45 3HD1 LEU 5 3HD1 LEU 5 5.449 -0.629 -1.145 46 1HD2 LEU 5 1HD2 LEU 5 8.680 1.356 -0.888 47 2HD2 LEU 5 2HD2 LEU 5 8.236 -0.029 0.122 48 3HD2 LEU 5 3HD2 LEU 5 7.982 -0.102 -1.636 49 H THR 6 H THR 6 7.380 2.993 -4.495 50 HA THR 6 HA THR 6 5.698 5.296 -5.400 51 HB THR 6 HB THR 6 8.041 3.865 -6.731 52 HG1 THR 6 1HG THR 6 8.512 5.305 -4.971 53 1HG2 THR 6 1HG2 THR 6 6.359 6.251 -7.628 54 2HG2 THR 6 2HG2 THR 6 7.875 5.719 -8.388 55 3HG2 THR 6 3HG2 THR 6 6.456 4.663 -8.426 56 H VAL 7 H VAL 7 3.815 4.649 -6.393 57 HA VAL 7 HA VAL 7 3.607 1.787 -7.212 58 HB VAL 7 HB VAL 7 2.473 1.945 -5.190 59 1HG1 VAL 7 1HG1 VAL 7 2.304 4.308 -4.778 60 2HG1 VAL 7 2HG1 VAL 7 1.113 4.500 -6.072 61 3HG1 VAL 7 3HG1 VAL 7 0.715 3.566 -4.618 62 1HG2 VAL 7 1HG2 VAL 7 0.282 2.213 -7.248 63 2HG2 VAL 7 2HG2 VAL 7 1.241 0.753 -6.942 64 3HG2 VAL 7 3HG2 VAL 7 0.196 1.411 -5.676 65 HA PRO 8 HA PRO 8 3.010 4.553 -10.765 66 1HB PRO 8 2HB PRO 8 3.538 2.806 -12.802 67 2HB PRO 8 3HB PRO 8 4.819 3.532 -11.786 68 1HG PRO 8 2HG PRO 8 3.571 0.793 -11.501 69 2HG PRO 8 3HG PRO 8 5.301 1.224 -11.450 70 1HD PRO 8 2HD PRO 8 3.751 0.870 -9.221 71 2HD PRO 8 3HD PRO 8 5.139 1.981 -9.245 72 H THR 9 H THR 9 1.628 1.403 -10.162 73 HA THR 9 HA THR 9 -0.588 1.616 -11.965 74 HB THR 9 HB THR 9 0.657 -0.382 -11.585 75 HG1 THR 9 1HG THR 9 -0.884 -1.760 -11.442 76 1HG2 THR 9 1HG2 THR 9 -0.069 0.083 -8.690 77 2HG2 THR 9 2HG2 THR 9 0.134 -1.544 -9.327 78 3HG2 THR 9 3HG2 THR 9 1.489 -0.420 -9.405 79 H ILE 10 H ILE 10 -0.210 3.375 -9.119 80 HA ILE 10 HA ILE 10 -2.661 3.064 -7.891 81 HB ILE 10 HB ILE 10 -0.646 5.169 -8.110 82 1HG1 ILE 10 2HG1 ILE 10 -2.825 4.423 -6.150 83 2HG1 ILE 10 3HG1 ILE 10 -1.175 3.831 -6.157 84 1HG2 ILE 10 1HG2 ILE 10 -2.344 6.528 -9.260 85 2HG2 ILE 10 2HG2 ILE 10 -3.499 6.225 -7.933 86 3HG2 ILE 10 3HG2 ILE 10 -2.015 7.137 -7.647 87 1HD1 ILE 10 1HD1 ILE 10 -0.426 6.253 -5.723 88 2HD1 ILE 10 2HD1 ILE 10 -2.141 6.638 -5.455 89 3HD1 ILE 10 3HD1 ILE 10 -1.317 5.476 -4.410 90 H ALA 11 H ALA 11 -4.714 3.739 -8.184 91 HA ALA 11 HA ALA 11 -6.637 3.950 -9.321 92 1HB ALA 11 1HB ALA 11 -5.884 6.308 -9.237 93 2HB ALA 11 2HB ALA 11 -5.141 6.118 -10.842 94 3HB ALA 11 3HB ALA 11 -6.899 5.969 -10.651 95 H CYS 12 H CYS 12 -4.385 2.166 -10.602 96 HA CYS 12 HA CYS 12 -5.628 1.963 -13.312 97 1HB CYS 12 2HB CYS 12 -3.157 2.370 -13.127 98 2HB CYS 12 3HB CYS 12 -3.008 0.784 -12.337 99 HG CYS 12 HG CYS 12 -4.414 1.484 -15.229 100 H GLU 13 H GLU 13 -4.520 -0.024 -10.528 101 HA GLU 13 HA GLU 13 -5.937 -2.353 -11.606 102 1HB GLU 13 2HB GLU 13 -3.623 -2.070 -10.149 103 2HB GLU 13 3HB GLU 13 -4.756 -2.607 -8.890 104 1HG GLU 13 2HG GLU 13 -4.216 -4.001 -11.524 105 2HG GLU 13 3HG GLU 13 -3.611 -4.471 -9.932 106 H ALA 14 H ALA 14 -6.030 -1.292 -8.175 107 HA ALA 14 HA ALA 14 -8.952 -0.755 -8.390 108 1HB ALA 14 1HB ALA 14 -7.679 -2.689 -6.409 109 2HB ALA 14 2HB ALA 14 -9.399 -2.249 -6.504 110 3HB ALA 14 3HB ALA 14 -8.644 -3.160 -7.825 111 H CYS 15 H CYS 15 -6.459 0.861 -7.949 112 HA CYS 15 HA CYS 15 -5.855 2.690 -6.797 113 1HB CYS 15 2HB CYS 15 -8.445 2.438 -5.200 114 2HB CYS 15 3HB CYS 15 -7.297 3.773 -5.119 115 HG CYS 15 HG CYS 15 -9.364 4.492 -6.471 116 H ALA 16 H ALA 16 -4.382 3.086 -5.192 117 HA ALA 16 HA ALA 16 -3.512 0.862 -3.632 118 1HB ALA 16 1HB ALA 16 -1.961 2.575 -2.619 119 2HB ALA 16 2HB ALA 16 -1.927 2.466 -4.391 120 3HB ALA 16 3HB ALA 16 -2.805 3.798 -3.610 121 H GLU 17 H GLU 17 -5.985 3.270 -2.905 122 HA GLU 17 HA GLU 17 -5.863 2.963 -0.089 123 1HB GLU 17 2HB GLU 17 -8.077 3.791 0.019 124 2HB GLU 17 3HB GLU 17 -7.138 4.701 -1.153 125 1HG GLU 17 2HG GLU 17 -9.012 4.483 -2.416 126 2HG GLU 17 3HG GLU 17 -8.320 2.910 -2.849 127 H ALA 18 H ALA 18 -6.940 0.738 -2.650 128 HA ALA 18 HA ALA 18 -8.262 -1.177 -1.049 129 1HB ALA 18 1HB ALA 18 -8.192 -1.210 -3.525 130 2HB ALA 18 2HB ALA 18 -6.476 -1.664 -3.475 131 3HB ALA 18 3HB ALA 18 -7.698 -2.759 -2.814 132 H VAL 19 H VAL 19 -4.749 -1.071 -2.011 133 HA VAL 19 HA VAL 19 -4.056 -3.275 -0.405 134 HB VAL 19 HB VAL 19 -2.588 -2.169 -2.184 135 1HG1 VAL 19 1HG1 VAL 19 -0.700 -0.859 -1.313 136 2HG1 VAL 19 2HG1 VAL 19 -2.181 0.064 -1.113 137 3HG1 VAL 19 3HG1 VAL 19 -1.441 -0.748 0.284 138 1HG2 VAL 19 1HG2 VAL 19 -1.494 -3.239 0.463 139 2HG2 VAL 19 2HG2 VAL 19 -2.091 -4.219 -0.891 140 3HG2 VAL 19 3HG2 VAL 19 -0.640 -3.228 -1.076 141 H THR 20 H THR 20 -4.262 0.179 0.316 142 HA THR 20 HA THR 20 -3.185 0.221 2.903 143 HB THR 20 HB THR 20 -5.586 1.832 1.933 144 HG1 THR 20 1HG THR 20 -3.788 2.078 0.543 145 1HG2 THR 20 1HG2 THR 20 -4.748 3.512 3.512 146 2HG2 THR 20 2HG2 THR 20 -5.329 2.041 4.320 147 3HG2 THR 20 3HG2 THR 20 -3.583 2.306 4.105 148 H LYS 21 H LYS 21 -6.650 -0.471 2.019 149 HA LYS 21 HA LYS 21 -7.309 -0.976 4.780 150 1HB LYS 21 2HB LYS 21 -9.023 -2.241 2.688 151 2HB LYS 21 3HB LYS 21 -9.444 -1.418 4.194 152 1HG LYS 21 2HG LYS 21 -8.387 0.690 2.839 153 2HG LYS 21 3HG LYS 21 -8.843 -0.380 1.485 154 1HD LYS 21 2HD LYS 21 -11.213 -0.365 2.536 155 2HD LYS 21 3HD LYS 21 -10.603 0.993 3.528 156 1HE LYS 21 2HE LYS 21 -9.655 1.899 1.224 157 2HE LYS 21 3HE LYS 21 -10.752 0.721 0.488 158 1HZ LYS 21 1HZ LYS 21 -11.546 2.918 0.559 159 2HZ LYS 21 2HZ LYS 21 -12.578 1.942 1.408 160 3HZ LYS 21 3HZ LYS 21 -11.546 2.984 2.198 161 H ALA 22 H ALA 22 -6.267 -3.072 2.088 162 HA ALA 22 HA ALA 22 -6.703 -5.586 3.337 163 1HB ALA 22 1HB ALA 22 -4.426 -4.790 1.482 164 2HB ALA 22 2HB ALA 22 -4.984 -6.435 1.830 165 3HB ALA 22 3HB ALA 22 -6.048 -5.303 0.962 166 H VAL 23 H VAL 23 -3.779 -3.517 3.335 167 HA VAL 23 HA VAL 23 -2.166 -5.082 5.039 168 HB VAL 23 HB VAL 23 -2.266 -2.076 4.559 169 1HG1 VAL 23 1HG1 VAL 23 0.156 -2.106 5.199 170 2HG1 VAL 23 2HG1 VAL 23 -0.919 -2.447 6.569 171 3HG1 VAL 23 3HG1 VAL 23 -0.037 -3.770 5.768 172 1HG2 VAL 23 1HG2 VAL 23 -0.887 -2.367 2.768 173 2HG2 VAL 23 2HG2 VAL 23 -0.153 -3.866 3.383 174 3HG2 VAL 23 3HG2 VAL 23 -1.747 -3.907 2.641 175 H GLN 24 H GLN 24 -4.472 -2.429 5.764 176 HA GLN 24 HA GLN 24 -4.136 -2.447 8.587 177 1HB GLN 24 2HB GLN 24 -6.512 -1.703 6.870 178 2HB GLN 24 3HB GLN 24 -6.427 -1.386 8.597 179 1HG GLN 24 2HG GLN 24 -4.112 -0.400 6.924 180 2HG GLN 24 3HG GLN 24 -5.662 0.405 6.728 181 1HE2 GLN 24 1HE2 GLN 24 -2.827 0.516 8.523 182 2HE2 GLN 24 2HE2 GLN 24 -3.456 1.536 9.803 183 H ASN 25 H ASN 25 -5.561 -5.010 6.659 184 HA ASN 25 HA ASN 25 -7.378 -5.994 8.685 185 1HB ASN 25 2HB ASN 25 -5.728 -7.607 6.681 186 2HB ASN 25 3HB ASN 25 -7.078 -8.189 7.643 187 1HD2 ASN 25 1HD2 ASN 25 -8.563 -5.488 7.132 188 2HD2 ASN 25 2HD2 ASN 25 -9.197 -5.746 5.521 189 H GLU 26 H GLU 26 -3.926 -6.728 7.978 190 HA GLU 26 HA GLU 26 -3.577 -8.186 10.495 191 1HB GLU 26 2HB GLU 26 -1.628 -7.193 8.363 192 2HB GLU 26 3HB GLU 26 -1.188 -8.208 9.743 193 1HG GLU 26 2HG GLU 26 -3.340 -9.145 7.798 194 2HG GLU 26 3HG GLU 26 -1.630 -9.292 7.408 195 H ASP 27 H ASP 27 -2.329 -5.165 9.015 196 HA ASP 27 HA ASP 27 -1.001 -4.454 11.483 197 1HB ASP 27 2HB ASP 27 -0.096 -4.394 9.055 198 2HB ASP 27 3HB ASP 27 -1.091 -2.960 8.817 199 H ALA 28 H ALA 28 -3.394 -4.377 12.317 200 HA ALA 28 HA ALA 28 -5.191 -2.397 11.316 201 1HB ALA 28 1HB ALA 28 -5.901 -4.490 12.428 202 2HB ALA 28 2HB ALA 28 -5.225 -3.906 13.967 203 3HB ALA 28 3HB ALA 28 -6.603 -3.066 13.221 204 H GLN 29 H GLN 29 -2.596 -2.148 13.491 205 HA GLN 29 HA GLN 29 -3.601 0.333 14.769 206 1HB GLN 29 2HB GLN 29 -1.725 -0.039 16.286 207 2HB GLN 29 3HB GLN 29 -2.873 -1.371 16.275 208 1HG GLN 29 2HG GLN 29 -1.313 -2.747 14.955 209 2HG GLN 29 3HG GLN 29 -0.218 -1.367 14.761 210 1HE2 GLN 29 1HE2 GLN 29 -1.918 -3.113 17.461 211 2HE2 GLN 29 2HE2 GLN 29 -0.504 -3.129 18.501 212 H ALA 30 H ALA 30 -2.007 -0.370 11.896 213 HA ALA 30 HA ALA 30 0.206 1.519 12.249 214 1HB ALA 30 1HB ALA 30 -0.789 -0.168 9.934 215 2HB ALA 30 2HB ALA 30 0.509 1.031 9.761 216 3HB ALA 30 3HB ALA 30 0.692 -0.281 10.927 217 H THR 31 H THR 31 0.599 3.226 10.664 218 HA THR 31 HA THR 31 -1.865 4.859 10.165 219 HB THR 31 HB THR 31 0.973 5.670 10.860 220 HG1 THR 31 1HG THR 31 -0.535 4.914 12.510 221 1HG2 THR 31 1HG2 THR 31 0.039 7.321 9.270 222 2HG2 THR 31 2HG2 THR 31 -1.457 7.407 10.231 223 3HG2 THR 31 3HG2 THR 31 0.075 7.988 10.909 224 H VAL 32 H VAL 32 -2.096 5.721 8.128 225 HA VAL 32 HA VAL 32 -0.287 4.692 5.995 226 HB VAL 32 HB VAL 32 -2.354 4.089 4.785 227 1HG1 VAL 32 1HG1 VAL 32 -1.162 2.312 5.930 228 2HG1 VAL 32 2HG1 VAL 32 -1.911 2.711 7.483 229 3HG1 VAL 32 3HG1 VAL 32 -2.890 2.036 6.191 230 1HG2 VAL 32 1HG2 VAL 32 -4.028 5.501 5.937 231 2HG2 VAL 32 2HG2 VAL 32 -4.484 3.802 6.019 232 3HG2 VAL 32 3HG2 VAL 32 -3.793 4.581 7.440 233 H GLN 33 H GLN 33 0.070 6.183 4.300 234 HA GLN 33 HA GLN 33 -1.792 8.466 3.979 235 1HB GLN 33 2HB GLN 33 1.140 8.556 4.738 236 2HB GLN 33 3HB GLN 33 0.528 9.758 3.599 237 1HG GLN 33 2HG GLN 33 -0.642 9.269 6.370 238 2HG GLN 33 3HG GLN 33 0.508 10.543 5.956 239 1HE2 GLN 33 1HE2 GLN 33 -2.621 10.332 6.682 240 2HE2 GLN 33 2HE2 GLN 33 -3.265 11.530 5.572 241 H VAL 34 H VAL 34 -2.509 7.998 1.960 242 HA VAL 34 HA VAL 34 -0.500 7.112 -0.055 243 HB VAL 34 HB VAL 34 -2.042 5.360 0.511 244 1HG1 VAL 34 1HG1 VAL 34 -4.302 7.086 -0.550 245 2HG1 VAL 34 2HG1 VAL 34 -4.386 5.391 -0.054 246 3HG1 VAL 34 3HG1 VAL 34 -4.062 6.644 1.156 247 1HG2 VAL 34 1HG2 VAL 34 -2.671 6.407 -2.272 248 2HG2 VAL 34 2HG2 VAL 34 -1.089 5.747 -1.819 249 3HG2 VAL 34 3HG2 VAL 34 -2.537 4.733 -1.683 250 H ASP 35 H ASP 35 -0.003 8.591 -1.538 251 HA ASP 35 HA ASP 35 -1.569 11.087 -1.410 252 1HB ASP 35 2HB ASP 35 0.927 10.936 -1.049 253 2HB ASP 35 3HB ASP 35 1.039 10.475 -2.758 254 H LEU 36 H LEU 36 -3.322 9.923 -2.508 255 HA LEU 36 HA LEU 36 -3.303 8.838 -5.071 256 1HB LEU 36 2HB LEU 36 -5.506 10.520 -3.822 257 2HB LEU 36 3HB LEU 36 -5.682 9.468 -5.225 258 HG LEU 36 HG LEU 36 -4.502 7.853 -3.170 259 1HD1 LEU 36 1HD1 LEU 36 -6.266 7.995 -1.426 260 2HD1 LEU 36 2HD1 LEU 36 -5.354 9.514 -1.528 261 3HD1 LEU 36 3HD1 LEU 36 -6.973 9.399 -2.243 262 1HD2 LEU 36 1HD2 LEU 36 -6.578 6.562 -3.417 263 2HD2 LEU 36 2HD2 LEU 36 -7.345 7.920 -4.268 264 3HD2 LEU 36 3HD2 LEU 36 -5.966 7.070 -5.003 265 H THR 37 H THR 37 -3.037 12.250 -4.229 266 HA THR 37 HA THR 37 -3.410 13.708 -6.456 267 HB THR 37 HB THR 37 -0.827 13.709 -4.864 268 HG1 THR 37 1HG THR 37 -1.887 13.904 -3.132 269 1HG2 THR 37 1HG2 THR 37 -1.133 16.144 -4.856 270 2HG2 THR 37 2HG2 THR 37 -1.071 15.523 -6.515 271 3HG2 THR 37 3HG2 THR 37 -2.633 15.979 -5.794 272 H SER 38 H SER 38 -0.896 11.164 -6.069 273 HA SER 38 HA SER 38 -0.278 11.470 -8.942 274 1HB SER 38 2HB SER 38 1.894 11.723 -6.830 275 2HB SER 38 3HB SER 38 2.137 11.608 -8.593 276 HG SER 38 HG SER 38 0.378 13.508 -8.241 277 H LYS 39 H LYS 39 1.995 9.639 -7.003 278 HA LYS 39 HA LYS 39 0.656 7.107 -7.545 279 1HB LYS 39 2HB LYS 39 2.269 6.370 -9.260 280 2HB LYS 39 3HB LYS 39 1.213 7.674 -9.780 281 1HG LYS 39 2HG LYS 39 3.246 9.238 -9.074 282 2HG LYS 39 3HG LYS 39 4.182 7.750 -9.213 283 1HD LYS 39 2HD LYS 39 2.397 9.023 -11.354 284 2HD LYS 39 3HD LYS 39 4.165 9.132 -11.284 285 1HE LYS 39 2HE LYS 39 4.305 6.634 -11.515 286 2HE LYS 39 3HE LYS 39 2.533 6.569 -11.665 287 1HZ LYS 39 1HZ LYS 39 3.631 6.516 -13.782 288 2HZ LYS 39 2HZ LYS 39 2.669 7.838 -13.650 289 3HZ LYS 39 3HZ LYS 39 4.306 7.993 -13.526 290 H LYS 40 H LYS 40 1.528 8.145 -5.162 291 HA LYS 40 HA LYS 40 3.871 6.474 -4.440 292 1HB LYS 40 2HB LYS 40 4.834 8.412 -3.242 293 2HB LYS 40 3HB LYS 40 4.704 8.676 -4.984 294 1HG LYS 40 2HG LYS 40 2.362 9.787 -4.334 295 2HG LYS 40 3HG LYS 40 3.100 9.911 -2.735 296 1HD LYS 40 2HD LYS 40 4.547 10.893 -5.209 297 2HD LYS 40 3HD LYS 40 3.183 11.821 -4.598 298 1HE LYS 40 2HE LYS 40 5.277 11.004 -2.587 299 2HE LYS 40 3HE LYS 40 5.712 12.275 -3.738 300 1HZ LYS 40 1HZ LYS 40 4.615 13.031 -1.598 301 2HZ LYS 40 2HZ LYS 40 3.975 13.620 -2.998 302 3HZ LYS 40 3HZ LYS 40 3.187 12.482 -2.242 303 H VAL 41 H VAL 41 3.868 5.733 -2.283 304 HA VAL 41 HA VAL 41 1.482 6.351 -0.651 305 HB VAL 41 HB VAL 41 0.830 4.484 -2.078 306 1HG1 VAL 41 1HG1 VAL 41 3.111 3.520 -2.525 307 2HG1 VAL 41 2HG1 VAL 41 3.093 2.863 -0.870 308 3HG1 VAL 41 3HG1 VAL 41 1.892 2.327 -2.058 309 1HG2 VAL 41 1HG2 VAL 41 0.083 4.596 0.325 310 2HG2 VAL 41 2HG2 VAL 41 0.089 2.958 -0.355 311 3HG2 VAL 41 3HG2 VAL 41 1.385 3.471 0.740 312 H THR 42 H THR 42 1.833 6.236 1.550 313 HA THR 42 HA THR 42 4.625 5.682 2.414 314 HB THR 42 HB THR 42 2.785 8.019 3.098 315 HG1 THR 42 1HG THR 42 3.731 8.103 1.039 316 1HG2 THR 42 1HG2 THR 42 4.125 7.526 5.026 317 2HG2 THR 42 2HG2 THR 42 5.588 7.319 4.038 318 3HG2 THR 42 3HG2 THR 42 4.845 8.925 4.211 319 H ILE 43 H ILE 43 4.485 3.999 3.833 320 HA ILE 43 HA ILE 43 2.025 3.741 5.549 321 HB ILE 43 HB ILE 43 3.901 1.604 4.521 322 1HG1 ILE 43 2HG1 ILE 43 2.524 2.561 2.680 323 2HG1 ILE 43 3HG1 ILE 43 2.135 0.891 3.031 324 1HG2 ILE 43 1HG2 ILE 43 2.113 0.047 5.367 325 2HG2 ILE 43 2HG2 ILE 43 2.992 0.917 6.630 326 3HG2 ILE 43 3HG2 ILE 43 1.358 1.435 6.180 327 1HD1 ILE 43 1HD1 ILE 43 0.462 3.245 3.977 328 2HD1 ILE 43 2HD1 ILE 43 0.130 2.212 2.581 329 3HD1 ILE 43 3HD1 ILE 43 0.104 1.511 4.199 330 H THR 44 H THR 44 2.372 4.215 7.621 331 HA THR 44 HA THR 44 5.128 4.023 8.754 332 HB THR 44 HB THR 44 2.684 5.612 9.541 333 HG1 THR 44 1HG THR 44 3.972 7.313 8.936 334 1HG2 THR 44 1HG2 THR 44 3.872 4.928 11.601 335 2HG2 THR 44 2HG2 THR 44 5.423 5.421 10.883 336 3HG2 THR 44 3HG2 THR 44 4.183 6.636 11.265 337 H SER 45 H SER 45 5.329 1.959 9.326 338 HA SER 45 HA SER 45 3.774 0.943 11.575 339 1HB SER 45 2HB SER 45 3.373 -1.244 10.509 340 2HB SER 45 3HB SER 45 2.642 -0.009 9.485 341 HG SER 45 HG SER 45 4.418 -0.066 8.152 342 H ALA 46 H ALA 46 5.052 -1.414 11.924 343 HA ALA 46 HA ALA 46 7.976 -0.846 11.796 344 1HB ALA 46 1HB ALA 46 6.428 -3.026 13.241 345 2HB ALA 46 2HB ALA 46 8.179 -2.735 13.324 346 3HB ALA 46 3HB ALA 46 7.051 -1.523 13.963 347 H LEU 47 H LEU 47 5.470 -2.956 10.442 348 HA LEU 47 HA LEU 47 7.546 -4.681 9.139 349 1HB LEU 47 2HB LEU 47 5.710 -6.423 9.184 350 2HB LEU 47 3HB LEU 47 6.509 -6.022 10.694 351 HG LEU 47 HG LEU 47 4.635 -4.797 11.528 352 1HD1 LEU 47 1HD1 LEU 47 3.725 -3.659 9.540 353 2HD1 LEU 47 2HD1 LEU 47 3.279 -5.222 8.832 354 3HD1 LEU 47 3HD1 LEU 47 2.479 -4.654 10.295 355 1HD2 LEU 47 1HD2 LEU 47 4.600 -7.273 11.696 356 2HD2 LEU 47 2HD2 LEU 47 2.964 -6.593 11.617 357 3HD2 LEU 47 3HD2 LEU 47 3.674 -7.356 10.182 358 H GLY 48 H GLY 48 5.780 -2.155 8.308 359 1HA GLY 48 2HA GLY 48 3.927 -2.621 6.489 360 2HA GLY 48 3HA GLY 48 5.112 -1.315 6.300 361 H GLU 49 H GLU 49 7.378 -2.271 5.500 362 HA GLU 49 HA GLU 49 7.157 -2.783 2.829 363 1HB GLU 49 2HB GLU 49 9.155 -2.106 4.237 364 2HB GLU 49 3HB GLU 49 9.399 -3.808 4.630 365 1HG GLU 49 2HG GLU 49 9.620 -4.295 2.172 366 2HG GLU 49 3HG GLU 49 9.385 -2.568 1.835 367 H GLU 50 H GLU 50 7.722 -5.275 5.336 368 HA GLU 50 HA GLU 50 7.707 -7.528 3.628 369 1HB GLU 50 2HB GLU 50 8.324 -7.024 6.272 370 2HB GLU 50 3HB GLU 50 6.776 -7.842 6.476 371 1HG GLU 50 2HG GLU 50 7.677 -9.720 5.060 372 2HG GLU 50 3HG GLU 50 9.225 -8.847 4.978 373 H GLN 51 H GLN 51 5.136 -6.192 5.755 374 HA GLN 51 HA GLN 51 3.180 -8.096 5.109 375 1HB GLN 51 2HB GLN 51 3.362 -6.236 6.939 376 2HB GLN 51 3HB GLN 51 2.502 -5.203 5.803 377 1HG GLN 51 2HG GLN 51 1.640 -7.894 6.956 378 2HG GLN 51 3HG GLN 51 0.972 -6.312 7.386 379 1HE2 GLN 51 1HE2 GLN 51 -0.146 -8.931 5.999 380 2HE2 GLN 51 2HE2 GLN 51 -1.029 -8.257 4.647 381 H LEU 52 H LEU 52 3.604 -4.804 3.813 382 HA LEU 52 HA LEU 52 1.784 -4.703 1.753 383 1HB LEU 52 2HB LEU 52 4.610 -3.613 1.961 384 2HB LEU 52 3HB LEU 52 3.522 -3.164 0.663 385 HG LEU 52 HG LEU 52 2.621 -2.809 3.520 386 1HD1 LEU 52 1HD1 LEU 52 4.921 -1.646 2.965 387 2HD1 LEU 52 2HD1 LEU 52 3.936 -0.559 1.985 388 3HD1 LEU 52 3HD1 LEU 52 3.627 -0.724 3.725 389 1HD2 LEU 52 1HD2 LEU 52 1.017 -2.622 1.556 390 2HD2 LEU 52 2HD2 LEU 52 1.151 -1.154 2.543 391 3HD2 LEU 52 3HD2 LEU 52 1.969 -1.259 0.969 392 H ARG 53 H ARG 53 5.132 -6.088 1.588 393 HA ARG 53 HA ARG 53 5.181 -6.786 -1.068 394 1HB ARG 53 2HB ARG 53 6.716 -7.425 1.172 395 2HB ARG 53 3HB ARG 53 6.032 -8.981 0.773 396 1HG ARG 53 2HG ARG 53 8.094 -8.865 -0.391 397 2HG ARG 53 3HG ARG 53 6.887 -8.513 -1.648 398 1HD ARG 53 2HD ARG 53 7.236 -6.053 -1.153 399 2HD ARG 53 3HD ARG 53 8.532 -6.488 -0.026 400 HE ARG 53 HE ARG 53 9.318 -7.693 -2.365 401 1HH1 ARG 53 2HH2 ARG 53 8.473 -4.337 -1.432 402 2HH1 ARG 53 1HH2 ARG 53 9.106 -3.681 -2.938 403 1HH2 ARG 53 2HH1 ARG 53 10.432 -6.620 -4.222 404 2HH2 ARG 53 1HH1 ARG 53 10.180 -4.872 -4.344 405 H THR 54 H THR 54 3.652 -8.747 1.525 406 HA THR 54 HA THR 54 2.508 -10.607 -0.367 407 HB THR 54 HB THR 54 1.703 -10.122 2.531 408 HG1 THR 54 1HG THR 54 3.833 -11.558 1.350 409 1HG2 THR 54 1HG2 THR 54 1.160 -12.547 2.442 410 2HG2 THR 54 2HG2 THR 54 0.171 -11.625 1.295 411 3HG2 THR 54 3HG2 THR 54 1.554 -12.578 0.711 412 H ALA 55 H ALA 55 1.082 -7.901 1.568 413 HA ALA 55 HA ALA 55 -1.583 -8.387 0.743 414 1HB ALA 55 1HB ALA 55 -1.088 -7.070 2.700 415 2HB ALA 55 2HB ALA 55 -0.294 -5.814 1.723 416 3HB ALA 55 3HB ALA 55 -2.043 -6.097 1.570 417 H ILE 56 H ILE 56 0.747 -5.969 -0.504 418 HA ILE 56 HA ILE 56 -0.651 -4.966 -2.735 419 HB ILE 56 HB ILE 56 2.271 -5.799 -2.609 420 1HG1 ILE 56 2HG1 ILE 56 1.195 -2.958 -2.315 421 2HG1 ILE 56 3HG1 ILE 56 1.526 -3.962 -0.909 422 1HG2 ILE 56 1HG2 ILE 56 1.171 -5.374 -4.962 423 2HG2 ILE 56 2HG2 ILE 56 1.076 -3.703 -4.403 424 3HG2 ILE 56 3HG2 ILE 56 2.646 -4.565 -4.536 425 1HD1 ILE 56 1HD1 ILE 56 3.599 -3.223 -3.021 426 2HD1 ILE 56 2HD1 ILE 56 3.398 -2.451 -1.456 427 3HD1 ILE 56 3HD1 ILE 56 3.888 -4.160 -1.553 428 H ALA 57 H ALA 57 1.494 -7.907 -2.687 429 HA ALA 57 HA ALA 57 0.936 -8.644 -5.333 430 1HB ALA 57 1HB ALA 57 1.673 -10.446 -2.989 431 2HB ALA 57 2HB ALA 57 1.804 -10.862 -4.708 432 3HB ALA 57 3HB ALA 57 2.803 -9.561 -4.036 433 H SER 58 H SER 58 -0.847 -9.426 -2.359 434 HA SER 58 HA SER 58 -2.626 -11.327 -3.453 435 1HB SER 58 2HB SER 58 -2.296 -10.752 -0.997 436 2HB SER 58 3HB SER 58 -3.339 -9.340 -1.269 437 HG SER 58 HG SER 58 -4.857 -10.970 -2.189 438 H ALA 59 H ALA 59 -2.568 -7.817 -3.858 439 HA ALA 59 HA ALA 59 -5.228 -7.830 -5.207 440 1HB ALA 59 1HB ALA 59 -4.797 -5.430 -5.525 441 2HB ALA 59 2HB ALA 59 -4.734 -5.893 -3.812 442 3HB ALA 59 3HB ALA 59 -3.231 -5.583 -4.703 443 H GLY 60 H GLY 60 -1.842 -6.938 -5.888 444 1HA GLY 60 2HA GLY 60 -0.588 -8.035 -7.624 445 2HA GLY 60 3HA GLY 60 -2.029 -8.100 -8.644 446 H HIS 61 H HIS 61 -0.237 -5.565 -6.805 447 HA HIS 61 HA HIS 61 -0.543 -3.693 -9.114 448 1HB HIS 61 2HB HIS 61 -0.165 -3.359 -6.136 449 2HB HIS 61 3HB HIS 61 0.265 -2.056 -7.219 450 HD1 HIS 61 1HD HIS 61 -1.867 -1.040 -8.756 451 HD2 HIS 61 2HD HIS 61 -2.511 -3.192 -5.196 452 HE1 HIS 61 1HE HIS 61 -4.008 -0.129 -7.734 453 H GLU 62 H GLU 62 1.240 -2.923 -10.170 454 HA GLU 62 HA GLU 62 3.791 -4.192 -9.871 455 1HB GLU 62 2HB GLU 62 2.848 -1.897 -11.675 456 2HB GLU 62 3HB GLU 62 4.296 -2.886 -11.870 457 1HG GLU 62 2HG GLU 62 2.843 -3.830 -13.384 458 2HG GLU 62 3HG GLU 62 2.724 -4.906 -11.987 459 H VAL 63 H VAL 63 3.461 -2.897 -7.523 460 HA VAL 63 HA VAL 63 5.187 -0.465 -7.580 461 HB VAL 63 HB VAL 63 3.247 -0.124 -6.381 462 1HG1 VAL 63 1HG1 VAL 63 2.189 -2.135 -6.167 463 2HG1 VAL 63 2HG1 VAL 63 3.538 -2.812 -5.217 464 3HG1 VAL 63 3HG1 VAL 63 2.441 -1.586 -4.509 465 1HG2 VAL 63 1HG2 VAL 63 5.412 0.438 -5.068 466 2HG2 VAL 63 2HG2 VAL 63 3.942 0.291 -4.092 467 3HG2 VAL 63 3HG2 VAL 63 5.117 -1.038 -4.143 468 H GLU 64 H GLU 64 7.204 -0.510 -6.836 469 HA GLU 64 HA GLU 64 8.492 -3.048 -6.800 470 1HB GLU 64 2HB GLU 64 9.482 -0.203 -6.370 471 2HB GLU 64 3HB GLU 64 10.544 -1.611 -6.405 472 1HG GLU 64 2HG GLU 64 10.589 -0.657 -8.593 473 2HG GLU 64 3HG GLU 64 9.715 -2.188 -8.690 Start of MODEL 17 1 1H MET 1 H1 MET 1 11.787 7.165 7.586 2 2H MET 1 H2 MET 1 13.371 6.865 7.951 3 3H MET 1 H3 MET 1 12.553 5.900 6.886 4 HA MET 1 HA MET 1 12.806 4.778 8.954 5 1HB MET 1 2HB MET 1 11.450 7.291 9.998 6 2HB MET 1 3HB MET 1 11.179 5.730 10.782 7 1HG MET 1 2HG MET 1 13.618 5.414 11.051 8 2HG MET 1 3HG MET 1 13.882 7.063 10.451 9 1HE MET 1 1HE MET 1 14.598 7.109 14.364 10 2HE MET 1 2HE MET 1 14.861 5.733 13.269 11 3HE MET 1 3HE MET 1 15.310 7.381 12.755 12 H THR 2 H THR 2 9.697 6.610 8.422 13 HA THR 2 HA THR 2 8.025 4.322 8.326 14 HB THR 2 HB THR 2 6.581 6.038 7.059 15 HG1 THR 2 1HG THR 2 8.313 7.265 6.182 16 1HG2 THR 2 1HG2 THR 2 6.279 7.452 9.048 17 2HG2 THR 2 2HG2 THR 2 6.616 5.781 9.568 18 3HG2 THR 2 3HG2 THR 2 7.880 7.015 9.660 19 H ILE 3 H ILE 3 6.986 3.454 6.368 20 HA ILE 3 HA ILE 3 9.099 2.709 4.461 21 HB ILE 3 HB ILE 3 6.266 1.747 5.048 22 1HG1 ILE 3 2HG1 ILE 3 7.393 -0.352 5.631 23 2HG1 ILE 3 3HG1 ILE 3 8.979 0.384 5.395 24 1HG2 ILE 3 1HG2 ILE 3 6.562 1.461 2.695 25 2HG2 ILE 3 2HG2 ILE 3 8.217 0.820 2.916 26 3HG2 ILE 3 3HG2 ILE 3 6.811 -0.116 3.444 27 1HD1 ILE 3 1HD1 ILE 3 6.920 1.335 7.447 28 2HD1 ILE 3 2HD1 ILE 3 8.158 0.110 7.783 29 3HD1 ILE 3 3HD1 ILE 3 8.657 1.752 7.378 30 H GLN 4 H GLN 4 9.057 3.284 2.272 31 HA GLN 4 HA GLN 4 6.824 4.912 1.198 32 1HB GLN 4 2HB GLN 4 9.658 5.757 1.677 33 2HB GLN 4 3HB GLN 4 8.992 6.156 0.087 34 1HG GLN 4 2HG GLN 4 7.193 7.397 0.981 35 2HG GLN 4 3HG GLN 4 7.457 6.753 2.605 36 1HE2 GLN 4 1HE2 GLN 4 8.999 8.812 0.076 37 2HE2 GLN 4 2HE2 GLN 4 9.833 9.834 1.233 38 H LEU 5 H LEU 5 6.127 3.816 -0.532 39 HA LEU 5 HA LEU 5 8.180 2.629 -2.389 40 1HB LEU 5 2HB LEU 5 5.421 1.539 -1.695 41 2HB LEU 5 3HB LEU 5 6.365 1.062 -3.093 42 HG LEU 5 HG LEU 5 6.544 -0.606 -1.494 43 1HD1 LEU 5 1HD1 LEU 5 9.202 0.880 -1.452 44 2HD1 LEU 5 2HD1 LEU 5 8.947 -0.861 -1.257 45 3HD1 LEU 5 3HD1 LEU 5 8.595 -0.090 -2.813 46 1HD2 LEU 5 1HD2 LEU 5 7.791 1.244 0.539 47 2HD2 LEU 5 2HD2 LEU 5 6.071 0.773 0.531 48 3HD2 LEU 5 3HD2 LEU 5 7.345 -0.455 0.721 49 H THR 6 H THR 6 7.463 2.448 -4.608 50 HA THR 6 HA THR 6 5.887 4.814 -5.507 51 HB THR 6 HB THR 6 8.257 3.374 -6.764 52 HG1 THR 6 1HG THR 6 8.738 4.742 -5.021 53 1HG2 THR 6 1HG2 THR 6 6.772 4.202 -8.533 54 2HG2 THR 6 2HG2 THR 6 6.602 5.769 -7.705 55 3HG2 THR 6 3HG2 THR 6 8.168 5.283 -8.392 56 H VAL 7 H VAL 7 4.010 4.245 -6.418 57 HA VAL 7 HA VAL 7 3.635 1.474 -7.488 58 HB VAL 7 HB VAL 7 2.566 1.514 -5.461 59 1HG1 VAL 7 1HG1 VAL 7 0.899 3.142 -4.715 60 2HG1 VAL 7 2HG1 VAL 7 2.511 3.839 -4.844 61 3HG1 VAL 7 3HG1 VAL 7 1.308 4.187 -6.095 62 1HG2 VAL 7 1HG2 VAL 7 0.305 1.041 -6.005 63 2HG2 VAL 7 2HG2 VAL 7 0.346 2.092 -7.427 64 3HG2 VAL 7 3HG2 VAL 7 1.287 0.605 -7.412 65 HA PRO 8 HA PRO 8 3.137 4.653 -10.740 66 1HB PRO 8 2HB PRO 8 3.838 3.169 -12.941 67 2HB PRO 8 3HB PRO 8 5.042 3.842 -11.799 68 1HG PRO 8 2HG PRO 8 3.903 1.039 -11.834 69 2HG PRO 8 3HG PRO 8 5.616 1.526 -11.710 70 1HD PRO 8 2HD PRO 8 4.106 0.887 -9.539 71 2HD PRO 8 3HD PRO 8 5.367 2.142 -9.446 72 H THR 9 H THR 9 1.746 1.522 -10.428 73 HA THR 9 HA THR 9 -0.397 1.863 -12.358 74 HB THR 9 HB THR 9 0.945 -0.162 -12.060 75 HG1 THR 9 1HG THR 9 -0.531 -1.634 -12.019 76 1HG2 THR 9 1HG2 THR 9 1.625 -0.335 -9.826 77 2HG2 THR 9 2HG2 THR 9 0.001 0.055 -9.195 78 3HG2 THR 9 3HG2 THR 9 0.324 -1.513 -9.907 79 H ILE 10 H ILE 10 -0.051 3.276 -9.282 80 HA ILE 10 HA ILE 10 -2.347 2.676 -7.987 81 HB ILE 10 HB ILE 10 -0.428 4.815 -7.958 82 1HG1 ILE 10 2HG1 ILE 10 -2.646 3.918 -6.143 83 2HG1 ILE 10 3HG1 ILE 10 -0.999 3.335 -6.129 84 1HG2 ILE 10 1HG2 ILE 10 -2.099 6.307 -9.018 85 2HG2 ILE 10 2HG2 ILE 10 -3.225 5.965 -7.676 86 3HG2 ILE 10 3HG2 ILE 10 -1.686 6.780 -7.377 87 1HD1 ILE 10 1HD1 ILE 10 -1.093 4.808 -4.296 88 2HD1 ILE 10 2HD1 ILE 10 -0.284 5.762 -5.549 89 3HD1 ILE 10 3HD1 ILE 10 -2.003 6.039 -5.187 90 H ALA 11 H ALA 11 -4.480 3.351 -7.933 91 HA ALA 11 HA ALA 11 -6.512 3.720 -8.836 92 1HB ALA 11 1HB ALA 11 -5.693 6.058 -8.711 93 2HB ALA 11 2HB ALA 11 -5.154 5.949 -10.400 94 3HB ALA 11 3HB ALA 11 -6.874 5.807 -10.007 95 H CYS 12 H CYS 12 -4.412 1.977 -10.497 96 HA CYS 12 HA CYS 12 -6.296 1.652 -12.803 97 1HB CYS 12 2HB CYS 12 -4.098 2.666 -13.435 98 2HB CYS 12 3HB CYS 12 -3.288 1.194 -12.854 99 HG CYS 12 HG CYS 12 -4.535 -0.459 -14.391 100 H GLU 13 H GLU 13 -6.797 0.517 -10.420 101 HA GLU 13 HA GLU 13 -7.067 -2.208 -11.154 102 1HB GLU 13 2HB GLU 13 -4.740 -2.220 -10.170 103 2HB GLU 13 3HB GLU 13 -5.425 -1.768 -8.613 104 1HG GLU 13 2HG GLU 13 -6.223 -4.279 -10.175 105 2HG GLU 13 3HG GLU 13 -4.882 -4.232 -9.028 106 H ALA 14 H ALA 14 -7.272 -1.859 -7.711 107 HA ALA 14 HA ALA 14 -10.022 -0.678 -7.904 108 1HB ALA 14 1HB ALA 14 -9.901 -3.080 -7.361 109 2HB ALA 14 2HB ALA 14 -8.859 -2.717 -5.976 110 3HB ALA 14 3HB ALA 14 -10.534 -2.125 -6.005 111 H CYS 15 H CYS 15 -7.565 0.890 -7.644 112 HA CYS 15 HA CYS 15 -6.878 2.739 -6.637 113 1HB CYS 15 2HB CYS 15 -9.459 2.506 -5.034 114 2HB CYS 15 3HB CYS 15 -8.225 3.704 -4.651 115 HG CYS 15 HG CYS 15 -10.067 4.836 -6.008 116 H ALA 16 H ALA 16 -5.573 3.426 -4.988 117 HA ALA 16 HA ALA 16 -4.134 1.544 -3.508 118 1HB ALA 16 1HB ALA 16 -3.293 3.387 -2.176 119 2HB ALA 16 2HB ALA 16 -3.324 3.822 -3.900 120 3HB ALA 16 3HB ALA 16 -4.559 4.475 -2.792 121 H GLU 17 H GLU 17 -7.224 3.031 -2.585 122 HA GLU 17 HA GLU 17 -7.289 2.304 0.121 123 1HB GLU 17 2HB GLU 17 -9.457 2.427 -1.988 124 2HB GLU 17 3HB GLU 17 -9.772 1.800 -0.376 125 1HG GLU 17 2HG GLU 17 -8.340 4.212 0.111 126 2HG GLU 17 3HG GLU 17 -9.458 4.589 -1.197 127 H ALA 18 H ALA 18 -7.617 0.163 -2.756 128 HA ALA 18 HA ALA 18 -8.415 -2.186 -1.429 129 1HB ALA 18 1HB ALA 18 -7.397 -3.369 -3.315 130 2HB ALA 18 2HB ALA 18 -8.281 -1.937 -3.871 131 3HB ALA 18 3HB ALA 18 -6.507 -1.914 -3.795 132 H VAL 19 H VAL 19 -5.036 -1.004 -2.076 133 HA VAL 19 HA VAL 19 -3.919 -3.164 -0.572 134 HB VAL 19 HB VAL 19 -2.675 -1.592 -2.252 135 1HG1 VAL 19 1HG1 VAL 19 -1.862 -0.310 0.417 136 2HG1 VAL 19 2HG1 VAL 19 -1.098 -0.073 -1.156 137 3HG1 VAL 19 3HG1 VAL 19 -2.735 0.537 -0.884 138 1HG2 VAL 19 1HG2 VAL 19 -1.833 -3.635 -1.131 139 2HG2 VAL 19 2HG2 VAL 19 -0.580 -2.385 -1.221 140 3HG2 VAL 19 3HG2 VAL 19 -1.418 -2.680 0.305 141 H THR 20 H THR 20 -4.930 0.131 0.278 142 HA THR 20 HA THR 20 -3.887 0.316 2.872 143 HB THR 20 HB THR 20 -6.588 1.339 1.906 144 HG1 THR 20 1HG THR 20 -4.850 2.080 0.634 145 1HG2 THR 20 1HG2 THR 20 -6.599 1.485 4.269 146 2HG2 THR 20 2HG2 THR 20 -4.937 2.078 4.302 147 3HG2 THR 20 3HG2 THR 20 -6.238 3.092 3.626 148 H LYS 21 H LYS 21 -7.118 -1.067 1.926 149 HA LYS 21 HA LYS 21 -7.729 -1.759 4.653 150 1HB LYS 21 2HB LYS 21 -8.906 -3.076 2.175 151 2HB LYS 21 3HB LYS 21 -9.572 -3.019 3.821 152 1HG LYS 21 2HG LYS 21 -9.224 -0.385 3.453 153 2HG LYS 21 3HG LYS 21 -9.358 -0.871 1.750 154 1HD LYS 21 2HD LYS 21 -11.548 -1.973 2.274 155 2HD LYS 21 3HD LYS 21 -11.465 -1.295 3.908 156 1HE LYS 21 2HE LYS 21 -11.464 0.260 1.264 157 2HE LYS 21 3HE LYS 21 -12.834 0.146 2.375 158 1HZ LYS 21 1HZ LYS 21 -10.238 1.352 3.102 159 2HZ LYS 21 2HZ LYS 21 -11.374 2.208 2.455 160 3HZ LYS 21 3HZ LYS 21 -11.662 1.497 3.933 161 H ALA 22 H ALA 22 -6.088 -3.532 2.040 162 HA ALA 22 HA ALA 22 -5.976 -6.067 3.399 163 1HB ALA 22 1HB ALA 22 -4.071 -6.524 1.921 164 2HB ALA 22 2HB ALA 22 -5.423 -5.792 1.018 165 3HB ALA 22 3HB ALA 22 -4.012 -4.807 1.465 166 H VAL 23 H VAL 23 -3.640 -3.356 3.262 167 HA VAL 23 HA VAL 23 -1.709 -4.416 5.034 168 HB VAL 23 HB VAL 23 -2.413 -1.523 4.440 169 1HG1 VAL 23 1HG1 VAL 23 -0.039 -1.092 5.100 170 2HG1 VAL 23 2HG1 VAL 23 -0.961 -1.724 6.482 171 3HG1 VAL 23 3HG1 VAL 23 0.137 -2.791 5.561 172 1HG2 VAL 23 1HG2 VAL 23 -0.128 -3.197 3.299 173 2HG2 VAL 23 2HG2 VAL 23 -1.663 -2.992 2.466 174 3HG2 VAL 23 3HG2 VAL 23 -0.662 -1.577 2.798 175 H GLN 24 H GLN 24 -4.480 -2.255 5.667 176 HA GLN 24 HA GLN 24 -4.018 -2.296 8.521 177 1HB GLN 24 2HB GLN 24 -6.412 -1.301 6.933 178 2HB GLN 24 3HB GLN 24 -6.133 -1.065 8.669 179 1HG GLN 24 2HG GLN 24 -3.842 -0.083 8.021 180 2HG GLN 24 3HG GLN 24 -4.442 0.023 6.380 181 1HE2 GLN 24 1HE2 GLN 24 -4.023 1.937 9.080 182 2HE2 GLN 24 2HE2 GLN 24 -5.333 3.047 8.725 183 H ASN 25 H ASN 25 -5.589 -4.674 6.500 184 HA ASN 25 HA ASN 25 -7.274 -5.712 8.638 185 1HB ASN 25 2HB ASN 25 -6.060 -7.014 6.166 186 2HB ASN 25 3HB ASN 25 -6.979 -7.908 7.371 187 1HD2 ASN 25 1HD2 ASN 25 -7.909 -8.004 4.844 188 2HD2 ASN 25 2HD2 ASN 25 -9.386 -7.058 4.729 189 H GLU 26 H GLU 26 -4.020 -6.647 7.428 190 HA GLU 26 HA GLU 26 -3.485 -8.309 9.750 191 1HB GLU 26 2HB GLU 26 -1.688 -7.261 7.533 192 2HB GLU 26 3HB GLU 26 -1.248 -8.516 8.709 193 1HG GLU 26 2HG GLU 26 -3.496 -8.710 6.635 194 2HG GLU 26 3HG GLU 26 -1.916 -9.490 6.545 195 H ASP 27 H ASP 27 -1.945 -5.299 8.533 196 HA ASP 27 HA ASP 27 -0.628 -4.874 11.123 197 1HB ASP 27 2HB ASP 27 0.537 -4.613 8.871 198 2HB ASP 27 3HB ASP 27 -0.423 -3.163 8.587 199 H ALA 28 H ALA 28 -2.996 -4.798 11.877 200 HA ALA 28 HA ALA 28 -4.693 -2.585 11.182 201 1HB ALA 28 1HB ALA 28 -6.075 -3.367 13.070 202 2HB ALA 28 2HB ALA 28 -5.534 -4.737 12.078 203 3HB ALA 28 3HB ALA 28 -4.741 -4.401 13.635 204 H GLN 29 H GLN 29 -2.007 -2.795 13.217 205 HA GLN 29 HA GLN 29 -2.682 -0.450 14.863 206 1HB GLN 29 2HB GLN 29 -0.487 -0.978 15.891 207 2HB GLN 29 3HB GLN 29 -1.682 -2.266 16.017 208 1HG GLN 29 2HG GLN 29 -0.556 -3.587 14.316 209 2HG GLN 29 3HG GLN 29 0.494 -2.220 13.894 210 1HE2 GLN 29 1HE2 GLN 29 2.377 -3.477 14.292 211 2HE2 GLN 29 2HE2 GLN 29 2.862 -3.893 15.933 212 H ALA 30 H ALA 30 -1.838 -0.694 11.677 213 HA ALA 30 HA ALA 30 0.343 1.283 11.712 214 1HB ALA 30 1HB ALA 30 0.412 0.852 9.308 215 2HB ALA 30 2HB ALA 30 0.405 -0.659 10.236 216 3HB ALA 30 3HB ALA 30 -1.067 -0.118 9.409 217 H THR 31 H THR 31 0.335 3.189 10.573 218 HA THR 31 HA THR 31 -2.328 4.354 9.798 219 HB THR 31 HB THR 31 0.260 5.734 10.569 220 HG1 THR 31 1HG THR 31 -1.091 4.766 12.234 221 1HG2 THR 31 1HG2 THR 31 -1.121 7.810 10.489 222 2HG2 THR 31 2HG2 THR 31 -0.925 7.086 8.887 223 3HG2 THR 31 3HG2 THR 31 -2.455 6.883 9.775 224 H VAL 32 H VAL 32 -2.494 5.132 7.686 225 HA VAL 32 HA VAL 32 -0.320 4.342 5.815 226 HB VAL 32 HB VAL 32 -2.015 4.029 4.146 227 1HG1 VAL 32 1HG1 VAL 32 -3.112 2.564 6.554 228 2HG1 VAL 32 2HG1 VAL 32 -2.806 1.962 4.911 229 3HG1 VAL 32 3HG1 VAL 32 -1.463 2.252 6.021 230 1HG2 VAL 32 1HG2 VAL 32 -4.095 4.752 6.272 231 2HG2 VAL 32 2HG2 VAL 32 -3.664 5.761 4.876 232 3HG2 VAL 32 3HG2 VAL 32 -4.418 4.202 4.624 233 H GLN 33 H GLN 33 0.115 5.838 3.996 234 HA GLN 33 HA GLN 33 -1.258 8.435 3.988 235 1HB GLN 33 2HB GLN 33 1.343 7.955 5.276 236 2HB GLN 33 3HB GLN 33 1.521 9.080 3.934 237 1HG GLN 33 2HG GLN 33 -0.589 9.445 6.084 238 2HG GLN 33 3HG GLN 33 1.044 10.121 6.163 239 1HE2 GLN 33 1HE2 GLN 33 -0.638 12.098 6.282 240 2HE2 GLN 33 2HE2 GLN 33 -0.860 12.874 4.721 241 H VAL 34 H VAL 34 -2.043 7.749 1.960 242 HA VAL 34 HA VAL 34 0.034 7.256 -0.117 243 HB VAL 34 HB VAL 34 -1.328 5.302 0.324 244 1HG1 VAL 34 1HG1 VAL 34 -3.466 6.357 1.014 245 2HG1 VAL 34 2HG1 VAL 34 -3.735 6.869 -0.665 246 3HG1 VAL 34 3HG1 VAL 34 -3.665 5.148 -0.263 247 1HG2 VAL 34 1HG2 VAL 34 -0.378 5.962 -1.958 248 2HG2 VAL 34 2HG2 VAL 34 -1.681 4.788 -1.967 249 3HG2 VAL 34 3HG2 VAL 34 -2.015 6.481 -2.398 250 H ASP 35 H ASP 35 0.227 8.610 -1.744 251 HA ASP 35 HA ASP 35 -1.675 10.899 -1.902 252 1HB ASP 35 2HB ASP 35 1.153 10.478 -2.924 253 2HB ASP 35 3HB ASP 35 0.145 11.884 -3.280 254 H LEU 36 H LEU 36 -3.326 9.563 -2.898 255 HA LEU 36 HA LEU 36 -3.034 8.333 -5.465 256 1HB LEU 36 2HB LEU 36 -5.476 9.728 -4.288 257 2HB LEU 36 3HB LEU 36 -5.445 8.728 -5.739 258 HG LEU 36 HG LEU 36 -4.250 7.058 -3.841 259 1HD1 LEU 36 1HD1 LEU 36 -5.833 7.040 -1.945 260 2HD1 LEU 36 2HD1 LEU 36 -4.971 8.588 -2.009 261 3HD1 LEU 36 3HD1 LEU 36 -6.646 8.478 -2.585 262 1HD2 LEU 36 1HD2 LEU 36 -5.839 6.384 -5.591 263 2HD2 LEU 36 2HD2 LEU 36 -6.372 5.794 -4.008 264 3HD2 LEU 36 3HD2 LEU 36 -7.159 7.208 -4.735 265 H THR 37 H THR 37 -3.141 11.730 -4.506 266 HA THR 37 HA THR 37 -3.444 13.176 -6.774 267 HB THR 37 HB THR 37 -1.074 13.427 -4.881 268 HG1 THR 37 1HG THR 37 -2.512 14.217 -3.354 269 1HG2 THR 37 1HG2 THR 37 -2.982 15.494 -6.070 270 2HG2 THR 37 2HG2 THR 37 -1.632 15.837 -4.965 271 3HG2 THR 37 3HG2 THR 37 -1.306 15.205 -6.585 272 H SER 38 H SER 38 -0.850 10.820 -6.129 273 HA SER 38 HA SER 38 0.225 11.265 -8.830 274 1HB SER 38 2HB SER 38 1.952 11.517 -6.330 275 2HB SER 38 3HB SER 38 2.529 11.519 -8.020 276 HG SER 38 HG SER 38 0.628 13.299 -7.942 277 H LYS 39 H LYS 39 2.415 9.486 -6.933 278 HA LYS 39 HA LYS 39 1.103 6.912 -7.394 279 1HB LYS 39 2HB LYS 39 2.787 6.260 -9.151 280 2HB LYS 39 3HB LYS 39 1.536 7.393 -9.629 281 1HG LYS 39 2HG LYS 39 3.296 9.270 -9.178 282 2HG LYS 39 3HG LYS 39 4.493 7.977 -9.169 283 1HD LYS 39 2HD LYS 39 2.454 8.390 -11.410 284 2HD LYS 39 3HD LYS 39 3.953 9.313 -11.364 285 1HE LYS 39 2HE LYS 39 5.292 7.570 -11.948 286 2HE LYS 39 3HE LYS 39 4.350 6.379 -11.072 287 1HZ LYS 39 1HZ LYS 39 4.216 6.078 -13.456 288 2HZ LYS 39 2HZ LYS 39 2.727 6.396 -12.840 289 3HZ LYS 39 3HZ LYS 39 3.557 7.569 -13.652 290 H LYS 40 H LYS 40 2.267 8.224 -5.097 291 HA LYS 40 HA LYS 40 4.351 6.207 -4.472 292 1HB LYS 40 2HB LYS 40 5.528 7.725 -3.092 293 2HB LYS 40 3HB LYS 40 5.326 8.486 -4.662 294 1HG LYS 40 2HG LYS 40 4.938 10.202 -3.165 295 2HG LYS 40 3HG LYS 40 3.317 9.754 -3.659 296 1HD LYS 40 2HD LYS 40 2.717 9.135 -1.560 297 2HD LYS 40 3HD LYS 40 4.223 8.252 -1.253 298 1HE LYS 40 2HE LYS 40 5.381 10.252 -0.587 299 2HE LYS 40 3HE LYS 40 4.050 11.283 -1.158 300 1HZ LYS 40 1HZ LYS 40 3.807 9.374 1.087 301 2HZ LYS 40 2HZ LYS 40 3.960 11.017 1.203 302 3HZ LYS 40 3HZ LYS 40 2.641 10.407 0.457 303 H VAL 41 H VAL 41 4.226 5.399 -2.313 304 HA VAL 41 HA VAL 41 1.763 6.056 -0.809 305 HB VAL 41 HB VAL 41 1.158 4.067 -2.040 306 1HG1 VAL 41 1HG1 VAL 41 3.661 2.731 -0.945 307 2HG1 VAL 41 2HG1 VAL 41 2.390 1.954 -1.902 308 3HG1 VAL 41 3HG1 VAL 41 3.408 3.194 -2.642 309 1HG2 VAL 41 1HG2 VAL 41 0.599 2.590 -0.224 310 2HG2 VAL 41 2HG2 VAL 41 1.958 3.164 0.759 311 3HG2 VAL 41 3HG2 VAL 41 0.593 4.238 0.432 312 H THR 42 H THR 42 2.129 6.128 1.437 313 HA THR 42 HA THR 42 4.823 5.374 2.310 314 HB THR 42 HB THR 42 3.127 7.765 3.188 315 HG1 THR 42 1HG THR 42 5.225 7.455 1.387 316 1HG2 THR 42 1HG2 THR 42 5.900 6.942 4.078 317 2HG2 THR 42 2HG2 THR 42 5.150 8.520 4.385 318 3HG2 THR 42 3HG2 THR 42 4.431 7.048 5.051 319 H ILE 43 H ILE 43 4.704 4.126 4.174 320 HA ILE 43 HA ILE 43 2.068 3.816 5.563 321 HB ILE 43 HB ILE 43 3.970 1.595 4.760 322 1HG1 ILE 43 2HG1 ILE 43 2.551 2.200 2.889 323 2HG1 ILE 43 3HG1 ILE 43 2.090 0.639 3.580 324 1HG2 ILE 43 1HG2 ILE 43 1.487 1.447 6.508 325 2HG2 ILE 43 2HG2 ILE 43 2.337 0.051 5.805 326 3HG2 ILE 43 3HG2 ILE 43 3.160 1.082 6.978 327 1HD1 ILE 43 1HD1 ILE 43 0.528 3.193 3.998 328 2HD1 ILE 43 2HD1 ILE 43 0.127 1.857 2.918 329 3HD1 ILE 43 3HD1 ILE 43 0.151 1.583 4.661 330 H THR 44 H THR 44 2.172 4.024 7.698 331 HA THR 44 HA THR 44 4.839 4.301 9.000 332 HB THR 44 HB THR 44 2.124 5.494 9.604 333 HG1 THR 44 1HG THR 44 4.448 6.553 8.422 334 1HG2 THR 44 1HG2 THR 44 3.322 6.943 11.206 335 2HG2 THR 44 2HG2 THR 44 3.422 5.242 11.683 336 3HG2 THR 44 3HG2 THR 44 4.819 6.035 10.932 337 H SER 45 H SER 45 5.114 2.094 9.442 338 HA SER 45 HA SER 45 3.910 1.389 11.946 339 1HB SER 45 2HB SER 45 3.193 -0.860 11.348 340 2HB SER 45 3HB SER 45 2.420 0.247 10.237 341 HG SER 45 HG SER 45 3.293 -1.520 9.214 342 H ALA 46 H ALA 46 5.105 -1.054 12.256 343 HA ALA 46 HA ALA 46 8.003 -0.578 11.794 344 1HB ALA 46 1HB ALA 46 6.558 -2.655 13.482 345 2HB ALA 46 2HB ALA 46 8.317 -2.421 13.367 346 3HB ALA 46 3HB ALA 46 7.300 -1.147 14.070 347 H LEU 47 H LEU 47 5.319 -2.814 10.912 348 HA LEU 47 HA LEU 47 7.309 -4.544 9.492 349 1HB LEU 47 2HB LEU 47 5.873 -6.321 9.661 350 2HB LEU 47 3HB LEU 47 5.888 -5.583 11.253 351 HG LEU 47 HG LEU 47 3.688 -4.488 9.615 352 1HD1 LEU 47 1HD1 LEU 47 2.353 -6.503 9.397 353 2HD1 LEU 47 2HD1 LEU 47 3.852 -6.690 8.467 354 3HD1 LEU 47 3HD1 LEU 47 3.677 -7.501 10.035 355 1HD2 LEU 47 1HD2 LEU 47 3.724 -6.113 12.187 356 2HD2 LEU 47 2HD2 LEU 47 3.751 -4.336 12.055 357 3HD2 LEU 47 3HD2 LEU 47 2.328 -5.249 11.518 358 H GLY 48 H GLY 48 5.524 -1.942 8.728 359 1HA GLY 48 2HA GLY 48 3.723 -2.330 6.859 360 2HA GLY 48 3HA GLY 48 4.925 -1.031 6.733 361 H GLU 49 H GLU 49 7.243 -2.434 6.170 362 HA GLU 49 HA GLU 49 7.033 -2.708 3.376 363 1HB GLU 49 2HB GLU 49 9.037 -2.176 4.986 364 2HB GLU 49 3HB GLU 49 9.283 -3.923 5.017 365 1HG GLU 49 2HG GLU 49 9.477 -3.898 2.517 366 2HG GLU 49 3HG GLU 49 9.194 -2.146 2.526 367 H GLU 50 H GLU 50 7.204 -5.165 5.949 368 HA GLU 50 HA GLU 50 7.256 -7.499 4.212 369 1HB GLU 50 2HB GLU 50 6.702 -7.026 7.173 370 2HB GLU 50 3HB GLU 50 6.326 -8.572 6.417 371 1HG GLU 50 2HG GLU 50 8.634 -8.869 5.703 372 2HG GLU 50 3HG GLU 50 9.085 -7.298 6.401 373 H GLN 51 H GLN 51 4.696 -5.756 6.104 374 HA GLN 51 HA GLN 51 2.746 -7.579 5.318 375 1HB GLN 51 2HB GLN 51 2.751 -5.389 7.024 376 2HB GLN 51 3HB GLN 51 1.831 -4.751 5.697 377 1HG GLN 51 2HG GLN 51 1.235 -7.113 7.494 378 2HG GLN 51 3HG GLN 51 0.172 -5.766 7.063 379 1HE2 GLN 51 1HE2 GLN 51 -0.539 -5.776 4.661 380 2HE2 GLN 51 2HE2 GLN 51 -0.965 -7.360 4.034 381 H LEU 52 H LEU 52 3.464 -4.303 3.960 382 HA LEU 52 HA LEU 52 1.831 -4.212 1.814 383 1HB LEU 52 2HB LEU 52 4.705 -3.337 2.240 384 2HB LEU 52 3HB LEU 52 3.909 -3.010 0.715 385 HG LEU 52 HG LEU 52 2.683 -2.116 3.333 386 1HD1 LEU 52 1HD1 LEU 52 3.829 0.141 2.415 387 2HD1 LEU 52 2HD1 LEU 52 4.699 -1.034 3.422 388 3HD1 LEU 52 3HD1 LEU 52 4.932 -1.008 1.664 389 1HD2 LEU 52 1HD2 LEU 52 1.474 -0.552 1.844 390 2HD2 LEU 52 2HD2 LEU 52 2.405 -1.108 0.450 391 3HD2 LEU 52 3HD2 LEU 52 1.241 -2.188 1.239 392 H ARG 53 H ARG 53 5.015 -5.911 1.940 393 HA ARG 53 HA ARG 53 5.229 -6.747 -0.663 394 1HB ARG 53 2HB ARG 53 6.555 -7.401 1.616 395 2HB ARG 53 3HB ARG 53 5.600 -8.867 1.453 396 1HG ARG 53 2HG ARG 53 7.560 -9.381 0.320 397 2HG ARG 53 3HG ARG 53 6.481 -8.921 -1.007 398 1HD ARG 53 2HD ARG 53 7.514 -6.554 -0.856 399 2HD ARG 53 3HD ARG 53 8.558 -7.168 0.407 400 HE ARG 53 HE ARG 53 9.890 -8.243 -1.083 401 1HH1 ARG 53 2HH2 ARG 53 6.954 -7.240 -2.749 402 2HH1 ARG 53 1HH2 ARG 53 7.584 -7.447 -4.354 403 1HH2 ARG 53 2HH1 ARG 53 10.745 -8.632 -3.194 404 2HH2 ARG 53 1HH1 ARG 53 9.787 -8.311 -4.602 405 H THR 54 H THR 54 3.268 -8.394 1.856 406 HA THR 54 HA THR 54 2.031 -10.225 -0.009 407 HB THR 54 HB THR 54 1.236 -9.456 2.839 408 HG1 THR 54 1HG THR 54 3.021 -11.402 1.803 409 1HG2 THR 54 1HG2 THR 54 0.653 -11.945 1.161 410 2HG2 THR 54 2HG2 THR 54 0.293 -11.748 2.891 411 3HG2 THR 54 3HG2 THR 54 -0.536 -10.736 1.697 412 H ALA 55 H ALA 55 0.951 -7.261 1.669 413 HA ALA 55 HA ALA 55 -1.737 -7.302 0.933 414 1HB ALA 55 1HB ALA 55 -1.834 -5.287 2.002 415 2HB ALA 55 2HB ALA 55 -0.185 -5.680 2.498 416 3HB ALA 55 3HB ALA 55 -0.444 -4.607 1.140 417 H ILE 56 H ILE 56 0.858 -5.340 -0.514 418 HA ILE 56 HA ILE 56 -0.428 -4.388 -2.829 419 HB ILE 56 HB ILE 56 2.459 -5.296 -2.528 420 1HG1 ILE 56 2HG1 ILE 56 1.390 -2.446 -2.406 421 2HG1 ILE 56 3HG1 ILE 56 1.643 -3.415 -0.950 422 1HG2 ILE 56 1HG2 ILE 56 1.160 -3.430 -4.524 423 2HG2 ILE 56 2HG2 ILE 56 2.884 -3.890 -4.496 424 3HG2 ILE 56 3HG2 ILE 56 1.685 -5.078 -4.931 425 1HD1 ILE 56 1HD1 ILE 56 3.810 -2.694 -2.964 426 2HD1 ILE 56 2HD1 ILE 56 3.578 -1.981 -1.374 427 3HD1 ILE 56 3HD1 ILE 56 4.032 -3.695 -1.524 428 H ALA 57 H ALA 57 1.438 -7.487 -2.477 429 HA ALA 57 HA ALA 57 0.964 -8.366 -5.110 430 1HB ALA 57 1HB ALA 57 2.653 -9.374 -3.646 431 2HB ALA 57 2HB ALA 57 1.382 -10.039 -2.596 432 3HB ALA 57 3HB ALA 57 1.543 -10.610 -4.268 433 H SER 58 H SER 58 -1.067 -8.678 -2.218 434 HA SER 58 HA SER 58 -2.987 -10.483 -3.162 435 1HB SER 58 2HB SER 58 -2.690 -9.277 -0.824 436 2HB SER 58 3HB SER 58 -3.809 -8.083 -1.507 437 HG SER 58 HG SER 58 -4.249 -10.881 -1.260 438 H ALA 59 H ALA 59 -2.704 -6.956 -3.738 439 HA ALA 59 HA ALA 59 -5.140 -6.851 -5.392 440 1HB ALA 59 1HB ALA 59 -4.446 -4.883 -4.104 441 2HB ALA 59 2HB ALA 59 -2.901 -4.823 -4.984 442 3HB ALA 59 3HB ALA 59 -4.428 -4.548 -5.847 443 H GLY 60 H GLY 60 -1.614 -6.759 -5.875 444 1HA GLY 60 2HA GLY 60 -0.409 -7.805 -7.598 445 2HA GLY 60 3HA GLY 60 -1.865 -7.927 -8.593 446 H HIS 61 H HIS 61 0.169 -5.409 -7.029 447 HA HIS 61 HA HIS 61 -0.122 -3.650 -9.439 448 1HB HIS 61 2HB HIS 61 0.351 -3.114 -6.497 449 2HB HIS 61 3HB HIS 61 0.703 -1.899 -7.705 450 HD1 HIS 61 1HD HIS 61 -1.753 -1.499 -9.382 451 HD2 HIS 61 2HD HIS 61 -1.668 -2.274 -5.246 452 HE1 HIS 61 1HE HIS 61 -3.697 -0.227 -8.353 453 H GLU 62 H GLU 62 1.756 -2.829 -10.392 454 HA GLU 62 HA GLU 62 4.214 -4.272 -9.972 455 1HB GLU 62 2HB GLU 62 3.748 -1.893 -11.817 456 2HB GLU 62 3HB GLU 62 4.927 -3.197 -11.955 457 1HG GLU 62 2HG GLU 62 3.398 -3.993 -13.454 458 2HG GLU 62 3HG GLU 62 2.637 -4.674 -12.012 459 H VAL 63 H VAL 63 3.956 -3.207 -7.670 460 HA VAL 63 HA VAL 63 5.025 -0.502 -7.398 461 HB VAL 63 HB VAL 63 4.690 -2.630 -5.244 462 1HG1 VAL 63 1HG1 VAL 63 6.072 -0.749 -4.493 463 2HG1 VAL 63 2HG1 VAL 63 4.860 0.410 -5.084 464 3HG1 VAL 63 3HG1 VAL 63 4.486 -0.653 -3.727 465 1HG2 VAL 63 1HG2 VAL 63 2.501 -1.356 -4.818 466 2HG2 VAL 63 2HG2 VAL 63 2.774 -0.589 -6.395 467 3HG2 VAL 63 3HG2 VAL 63 2.547 -2.337 -6.293 468 H GLU 64 H GLU 64 7.076 0.182 -6.785 469 HA GLU 64 HA GLU 64 9.141 -1.755 -6.033 470 1HB GLU 64 2HB GLU 64 9.537 0.322 -8.227 471 2HB GLU 64 3HB GLU 64 10.800 -0.645 -7.466 472 1HG GLU 64 2HG GLU 64 8.789 -2.465 -8.508 473 2HG GLU 64 3HG GLU 64 9.211 -1.302 -9.763 Start of MODEL 18 1 1H MET 1 H1 MET 1 12.573 4.999 8.074 2 2H MET 1 H2 MET 1 12.986 4.388 9.558 3 3H MET 1 H3 MET 1 11.528 4.033 8.855 4 HA MET 1 HA MET 1 11.243 5.700 10.598 5 1HB MET 1 2HB MET 1 13.163 7.213 8.777 6 2HB MET 1 3HB MET 1 12.125 8.006 9.969 7 1HG MET 1 2HG MET 1 13.222 6.902 11.806 8 2HG MET 1 3HG MET 1 14.118 5.837 10.717 9 1HE MET 1 1HE MET 1 13.629 9.798 10.363 10 2HE MET 1 2HE MET 1 13.808 9.502 12.114 11 3HE MET 1 3HE MET 1 15.100 10.321 11.208 12 H THR 2 H THR 2 9.259 4.963 9.603 13 HA THR 2 HA THR 2 7.574 4.784 8.197 14 HB THR 2 HB THR 2 7.816 7.464 7.939 15 HG1 THR 2 1HG THR 2 5.873 6.378 7.758 16 1HG2 THR 2 1HG2 THR 2 8.056 6.513 5.046 17 2HG2 THR 2 2HG2 THR 2 7.910 8.169 5.655 18 3HG2 THR 2 3HG2 THR 2 9.408 7.273 5.881 19 H ILE 3 H ILE 3 7.190 3.908 5.969 20 HA ILE 3 HA ILE 3 9.672 3.209 4.481 21 HB ILE 3 HB ILE 3 7.029 1.703 4.511 22 1HG1 ILE 3 2HG1 ILE 3 7.794 1.509 6.804 23 2HG1 ILE 3 3HG1 ILE 3 7.915 -0.006 5.932 24 1HG2 ILE 3 1HG2 ILE 3 8.320 -0.061 3.472 25 2HG2 ILE 3 2HG2 ILE 3 8.547 1.455 2.585 26 3HG2 ILE 3 3HG2 ILE 3 9.825 0.881 3.652 27 1HD1 ILE 3 1HD1 ILE 3 10.353 0.233 5.729 28 2HD1 ILE 3 2HD1 ILE 3 10.283 1.836 6.486 29 3HD1 ILE 3 3HD1 ILE 3 9.852 0.392 7.416 30 H GLN 4 H GLN 4 9.572 4.146 2.368 31 HA GLN 4 HA GLN 4 6.928 5.169 1.474 32 1HB GLN 4 2HB GLN 4 8.709 6.910 1.953 33 2HB GLN 4 3HB GLN 4 9.641 6.206 0.614 34 1HG GLN 4 2HG GLN 4 7.643 6.571 -0.883 35 2HG GLN 4 3HG GLN 4 6.782 7.274 0.497 36 1HE2 GLN 4 1HE2 GLN 4 10.003 7.698 -1.106 37 2HE2 GLN 4 2HE2 GLN 4 9.919 9.447 -1.129 38 H LEU 5 H LEU 5 6.144 4.267 -0.331 39 HA LEU 5 HA LEU 5 7.963 2.617 -2.086 40 1HB LEU 5 2HB LEU 5 5.042 2.060 -1.417 41 2HB LEU 5 3HB LEU 5 6.009 1.222 -2.611 42 HG LEU 5 HG LEU 5 5.780 -0.182 -0.768 43 1HD1 LEU 5 1HD1 LEU 5 8.605 0.932 -0.597 44 2HD1 LEU 5 2HD1 LEU 5 8.063 -0.706 -0.192 45 3HD1 LEU 5 3HD1 LEU 5 8.002 -0.149 -1.874 46 1HD2 LEU 5 1HD2 LEU 5 6.934 1.903 1.110 47 2HD2 LEU 5 2HD2 LEU 5 5.221 1.476 0.977 48 3HD2 LEU 5 3HD2 LEU 5 6.411 0.268 1.507 49 H THR 6 H THR 6 7.331 2.559 -4.382 50 HA THR 6 HA THR 6 5.844 5.026 -5.184 51 HB THR 6 HB THR 6 8.019 3.429 -6.576 52 HG1 THR 6 1HG THR 6 9.307 4.953 -5.831 53 1HG2 THR 6 1HG2 THR 6 6.519 4.462 -8.237 54 2HG2 THR 6 2HG2 THR 6 6.573 6.007 -7.359 55 3HG2 THR 6 3HG2 THR 6 8.033 5.374 -8.150 56 H VAL 7 H VAL 7 3.939 4.713 -6.157 57 HA VAL 7 HA VAL 7 3.221 1.997 -7.181 58 HB VAL 7 HB VAL 7 2.031 2.352 -5.194 59 1HG1 VAL 7 1HG1 VAL 7 0.864 4.954 -6.255 60 2HG1 VAL 7 2HG1 VAL 7 0.457 4.120 -4.753 61 3HG1 VAL 7 3HG1 VAL 7 2.071 4.807 -4.959 62 1HG2 VAL 7 1HG2 VAL 7 -0.229 2.048 -5.967 63 2HG2 VAL 7 2HG2 VAL 7 0.156 2.787 -7.530 64 3HG2 VAL 7 3HG2 VAL 7 0.896 1.240 -7.071 65 HA PRO 8 HA PRO 8 3.411 5.037 -10.538 66 1HB PRO 8 2HB PRO 8 4.406 3.486 -12.553 67 2HB PRO 8 3HB PRO 8 5.428 4.139 -11.236 68 1HG PRO 8 2HG PRO 8 4.180 1.381 -11.397 69 2HG PRO 8 3HG PRO 8 5.878 1.793 -11.029 70 1HD PRO 8 2HD PRO 8 4.067 1.305 -9.067 71 2HD PRO 8 3HD PRO 8 5.330 2.555 -8.878 72 H THR 9 H THR 9 1.920 1.817 -10.527 73 HA THR 9 HA THR 9 0.421 2.407 -12.920 74 HB THR 9 HB THR 9 1.331 0.128 -12.009 75 HG1 THR 9 1HG THR 9 -1.068 0.416 -13.457 76 1HG2 THR 9 1HG2 THR 9 -1.572 -0.077 -11.130 77 2HG2 THR 9 2HG2 THR 9 -0.389 -1.378 -11.223 78 3HG2 THR 9 3HG2 THR 9 -0.176 -0.092 -10.018 79 H ILE 10 H ILE 10 -0.498 2.072 -9.418 80 HA ILE 10 HA ILE 10 -2.362 2.372 -8.360 81 HB ILE 10 HB ILE 10 -1.572 4.803 -9.569 82 1HG1 ILE 10 2HG1 ILE 10 -3.339 4.112 -7.233 83 2HG1 ILE 10 3HG1 ILE 10 -1.613 4.379 -7.192 84 1HG2 ILE 10 1HG2 ILE 10 -4.593 4.840 -9.396 85 2HG2 ILE 10 2HG2 ILE 10 -3.495 6.101 -9.977 86 3HG2 ILE 10 3HG2 ILE 10 -3.720 4.634 -10.935 87 1HD1 ILE 10 1HD1 ILE 10 -1.962 6.753 -7.966 88 2HD1 ILE 10 2HD1 ILE 10 -3.696 6.523 -7.609 89 3HD1 ILE 10 3HD1 ILE 10 -2.479 6.350 -6.326 90 H ALA 11 H ALA 11 -4.862 2.899 -8.525 91 HA ALA 11 HA ALA 11 -6.868 1.978 -9.078 92 1HB ALA 11 1HB ALA 11 -6.616 3.890 -10.604 93 2HB ALA 11 2HB ALA 11 -5.936 2.810 -11.845 94 3HB ALA 11 3HB ALA 11 -7.618 2.609 -11.307 95 H CYS 12 H CYS 12 -4.713 0.022 -9.040 96 HA CYS 12 HA CYS 12 -4.948 -1.831 -11.204 97 1HB CYS 12 2HB CYS 12 -2.913 -1.845 -10.019 98 2HB CYS 12 3HB CYS 12 -3.741 -1.768 -8.461 99 HG CYS 12 HG CYS 12 -3.525 -4.295 -10.583 100 H GLU 13 H GLU 13 -6.104 -1.998 -7.789 101 HA GLU 13 HA GLU 13 -7.937 -4.212 -8.426 102 1HB GLU 13 2HB GLU 13 -6.596 -3.846 -6.224 103 2HB GLU 13 3HB GLU 13 -7.752 -2.554 -5.881 104 1HG GLU 13 2HG GLU 13 -8.782 -4.302 -4.800 105 2HG GLU 13 3HG GLU 13 -9.528 -4.522 -6.388 106 H ALA 14 H ALA 14 -7.850 -0.812 -7.752 107 HA ALA 14 HA ALA 14 -10.255 0.088 -8.899 108 1HB ALA 14 1HB ALA 14 -11.554 0.571 -6.806 109 2HB ALA 14 2HB ALA 14 -11.454 -1.163 -7.142 110 3HB ALA 14 3HB ALA 14 -10.421 -0.444 -5.888 111 H CYS 15 H CYS 15 -7.894 0.385 -6.176 112 HA CYS 15 HA CYS 15 -6.942 2.944 -6.922 113 1HB CYS 15 2HB CYS 15 -9.145 3.751 -6.050 114 2HB CYS 15 3HB CYS 15 -8.864 2.856 -4.539 115 HG CYS 15 HG CYS 15 -8.486 5.418 -4.174 116 H ALA 16 H ALA 16 -5.172 3.462 -5.520 117 HA ALA 16 HA ALA 16 -3.678 1.407 -4.364 118 1HB ALA 16 1HB ALA 16 -2.741 3.597 -4.934 119 2HB ALA 16 2HB ALA 16 -3.683 4.345 -3.626 120 3HB ALA 16 3HB ALA 16 -2.400 3.180 -3.245 121 H GLU 17 H GLU 17 -6.160 3.472 -2.769 122 HA GLU 17 HA GLU 17 -5.811 2.705 -0.148 123 1HB GLU 17 2HB GLU 17 -7.932 3.888 -1.737 124 2HB GLU 17 3HB GLU 17 -8.649 2.725 -0.634 125 1HG GLU 17 2HG GLU 17 -6.627 4.609 0.555 126 2HG GLU 17 3HG GLU 17 -8.152 5.289 0.014 127 H ALA 18 H ALA 18 -7.020 0.622 -2.755 128 HA ALA 18 HA ALA 18 -8.188 -1.473 -1.315 129 1HB ALA 18 1HB ALA 18 -7.335 -2.913 -3.117 130 2HB ALA 18 2HB ALA 18 -7.967 -1.385 -3.771 131 3HB ALA 18 3HB ALA 18 -6.213 -1.637 -3.636 132 H VAL 19 H VAL 19 -4.659 -0.759 -1.766 133 HA VAL 19 HA VAL 19 -3.873 -3.108 -0.320 134 HB VAL 19 HB VAL 19 -2.430 -1.720 -1.943 135 1HG1 VAL 19 1HG1 VAL 19 -0.854 -0.187 -0.970 136 2HG1 VAL 19 2HG1 VAL 19 -2.444 0.452 -0.568 137 3HG1 VAL 19 3HG1 VAL 19 -1.501 -0.414 0.658 138 1HG2 VAL 19 1HG2 VAL 19 -1.614 -3.730 -0.989 139 2HG2 VAL 19 2HG2 VAL 19 -0.422 -2.529 -0.420 140 3HG2 VAL 19 3HG2 VAL 19 -1.671 -3.091 0.653 141 H THR 20 H THR 20 -4.454 0.298 0.584 142 HA THR 20 HA THR 20 -3.471 0.215 3.264 143 HB THR 20 HB THR 20 -5.691 1.831 1.956 144 HG1 THR 20 1HG THR 20 -3.517 2.222 1.361 145 1HG2 THR 20 1HG2 THR 20 -5.675 3.294 3.884 146 2HG2 THR 20 2HG2 THR 20 -6.310 1.714 4.293 147 3HG2 THR 20 3HG2 THR 20 -4.653 2.131 4.783 148 H LYS 21 H LYS 21 -6.755 -0.378 1.980 149 HA LYS 21 HA LYS 21 -7.951 -1.045 4.457 150 1HB LYS 21 2HB LYS 21 -8.703 -2.120 1.724 151 2HB LYS 21 3HB LYS 21 -9.777 -1.973 3.115 152 1HG LYS 21 2HG LYS 21 -8.511 0.583 2.104 153 2HG LYS 21 3HG LYS 21 -9.633 -0.224 1.034 154 1HD LYS 21 2HD LYS 21 -10.753 1.453 2.218 155 2HD LYS 21 3HD LYS 21 -11.373 -0.099 2.826 156 1HE LYS 21 2HE LYS 21 -10.085 0.141 4.883 157 2HE LYS 21 3HE LYS 21 -9.118 1.466 4.194 158 1HZ LYS 21 1HZ LYS 21 -11.995 1.659 4.740 159 2HZ LYS 21 2HZ LYS 21 -10.796 2.266 5.692 160 3HZ LYS 21 3HZ LYS 21 -10.999 2.850 4.166 161 H ALA 22 H ALA 22 -6.354 -3.101 1.974 162 HA ALA 22 HA ALA 22 -6.896 -5.594 3.212 163 1HB ALA 22 1HB ALA 22 -6.120 -5.396 0.903 164 2HB ALA 22 2HB ALA 22 -4.549 -4.781 1.469 165 3HB ALA 22 3HB ALA 22 -5.041 -6.440 1.863 166 H VAL 23 H VAL 23 -3.922 -3.606 3.315 167 HA VAL 23 HA VAL 23 -2.419 -5.263 5.036 168 HB VAL 23 HB VAL 23 -2.300 -2.278 4.464 169 1HG1 VAL 23 1HG1 VAL 23 -0.986 -2.687 6.518 170 2HG1 VAL 23 2HG1 VAL 23 -0.210 -4.102 5.755 171 3HG1 VAL 23 3HG1 VAL 23 0.116 -2.474 5.142 172 1HG2 VAL 23 1HG2 VAL 23 -0.741 -2.787 2.798 173 2HG2 VAL 23 2HG2 VAL 23 -0.414 -4.412 3.415 174 3HG2 VAL 23 3HG2 VAL 23 -1.934 -4.083 2.588 175 H GLN 24 H GLN 24 -4.560 -2.446 5.741 176 HA GLN 24 HA GLN 24 -4.214 -2.371 8.533 177 1HB GLN 24 2HB GLN 24 -6.560 -1.707 6.742 178 2HB GLN 24 3HB GLN 24 -6.564 -1.362 8.467 179 1HG GLN 24 2HG GLN 24 -4.211 -0.399 6.811 180 2HG GLN 24 3HG GLN 24 -5.751 0.433 6.670 181 1HE2 GLN 24 1HE2 GLN 24 -2.920 0.949 8.037 182 2HE2 GLN 24 2HE2 GLN 24 -3.411 1.678 9.554 183 H ASN 25 H ASN 25 -5.840 -4.934 6.663 184 HA ASN 25 HA ASN 25 -7.549 -5.829 8.813 185 1HB ASN 25 2HB ASN 25 -6.094 -7.482 6.701 186 2HB ASN 25 3HB ASN 25 -7.324 -8.076 7.805 187 1HD2 ASN 25 1HD2 ASN 25 -7.076 -7.486 4.714 188 2HD2 ASN 25 2HD2 ASN 25 -8.693 -6.871 4.378 189 H GLU 26 H GLU 26 -4.156 -6.576 7.911 190 HA GLU 26 HA GLU 26 -3.689 -8.161 10.332 191 1HB GLU 26 2HB GLU 26 -1.716 -7.102 8.249 192 2HB GLU 26 3HB GLU 26 -1.408 -8.285 9.524 193 1HG GLU 26 2HG GLU 26 -3.639 -9.346 8.162 194 2HG GLU 26 3HG GLU 26 -2.649 -8.647 6.877 195 H ASP 27 H ASP 27 -2.367 -5.124 8.971 196 HA ASP 27 HA ASP 27 -1.151 -4.477 11.539 197 1HB ASP 27 2HB ASP 27 -0.093 -4.414 9.158 198 2HB ASP 27 3HB ASP 27 -0.969 -2.902 8.941 199 H ALA 28 H ALA 28 -3.567 -4.326 12.221 200 HA ALA 28 HA ALA 28 -5.197 -2.139 11.336 201 1HB ALA 28 1HB ALA 28 -6.090 -4.161 12.442 202 2HB ALA 28 2HB ALA 28 -5.290 -3.690 13.960 203 3HB ALA 28 3HB ALA 28 -6.590 -2.682 13.288 204 H GLN 29 H GLN 29 -2.489 -2.250 13.419 205 HA GLN 29 HA GLN 29 -3.138 0.307 14.774 206 1HB GLN 29 2HB GLN 29 -1.453 -0.379 16.335 207 2HB GLN 29 3HB GLN 29 -2.628 -1.660 16.143 208 1HG GLN 29 2HG GLN 29 -1.057 -3.140 15.511 209 2HG GLN 29 3HG GLN 29 -0.447 -2.092 14.231 210 1HE2 GLN 29 1HE2 GLN 29 0.721 0.011 15.316 211 2HE2 GLN 29 2HE2 GLN 29 1.987 -0.476 16.446 212 H ALA 30 H ALA 30 -2.057 -0.125 11.830 213 HA ALA 30 HA ALA 30 0.400 1.568 12.094 214 1HB ALA 30 1HB ALA 30 0.875 -0.300 10.821 215 2HB ALA 30 2HB ALA 30 -0.651 -0.236 9.896 216 3HB ALA 30 3HB ALA 30 0.618 0.975 9.628 217 H THR 31 H THR 31 0.689 3.257 10.483 218 HA THR 31 HA THR 31 -1.873 4.702 9.877 219 HB THR 31 HB THR 31 0.819 5.870 10.663 220 HG1 THR 31 1HG THR 31 -0.480 4.825 12.332 221 1HG2 THR 31 1HG2 THR 31 -0.448 7.381 9.155 222 2HG2 THR 31 2HG2 THR 31 -1.893 7.189 10.176 223 3HG2 THR 31 3HG2 THR 31 -0.450 7.999 10.814 224 H VAL 32 H VAL 32 -2.086 5.408 7.803 225 HA VAL 32 HA VAL 32 0.126 4.859 5.878 226 HB VAL 32 HB VAL 32 -1.623 4.486 4.227 227 1HG1 VAL 32 1HG1 VAL 32 -2.291 2.295 4.933 228 2HG1 VAL 32 2HG1 VAL 32 -0.711 2.601 5.675 229 3HG1 VAL 32 3HG1 VAL 32 -2.179 2.725 6.652 230 1HG2 VAL 32 1HG2 VAL 32 -3.675 4.606 6.490 231 2HG2 VAL 32 2HG2 VAL 32 -3.441 5.911 5.306 232 3HG2 VAL 32 3HG2 VAL 32 -3.949 4.330 4.762 233 H GLN 33 H GLN 33 0.443 6.421 4.209 234 HA GLN 33 HA GLN 33 -1.386 8.715 4.021 235 1HB GLN 33 2HB GLN 33 1.539 8.842 4.806 236 2HB GLN 33 3HB GLN 33 0.931 10.064 3.687 237 1HG GLN 33 2HG GLN 33 -0.228 9.502 6.447 238 2HG GLN 33 3HG GLN 33 0.864 10.825 6.032 239 1HE2 GLN 33 1HE2 GLN 33 -1.738 11.269 7.161 240 2HE2 GLN 33 2HE2 GLN 33 -2.677 12.096 5.929 241 H VAL 34 H VAL 34 -2.051 8.486 1.944 242 HA VAL 34 HA VAL 34 -0.089 7.533 -0.094 243 HB VAL 34 HB VAL 34 -1.726 5.808 0.644 244 1HG1 VAL 34 1HG1 VAL 34 -4.027 5.869 0.037 245 2HG1 VAL 34 2HG1 VAL 34 -3.695 7.264 1.071 246 3HG1 VAL 34 3HG1 VAL 34 -3.885 7.474 -0.684 247 1HG2 VAL 34 1HG2 VAL 34 -0.792 5.415 -1.441 248 2HG2 VAL 34 2HG2 VAL 34 -2.518 5.322 -1.769 249 3HG2 VAL 34 3HG2 VAL 34 -1.587 6.773 -2.217 250 H ASP 35 H ASP 35 0.234 8.918 -1.765 251 HA ASP 35 HA ASP 35 -1.708 11.181 -2.112 252 1HB ASP 35 2HB ASP 35 1.219 10.834 -2.755 253 2HB ASP 35 3HB ASP 35 0.225 11.939 -3.699 254 H LEU 36 H LEU 36 -3.318 9.743 -3.141 255 HA LEU 36 HA LEU 36 -2.848 8.657 -5.722 256 1HB LEU 36 2HB LEU 36 -5.354 10.141 -4.889 257 2HB LEU 36 3HB LEU 36 -5.164 8.853 -6.068 258 HG LEU 36 HG LEU 36 -6.025 7.597 -4.505 259 1HD1 LEU 36 1HD1 LEU 36 -3.796 6.638 -4.555 260 2HD1 LEU 36 2HD1 LEU 36 -3.406 7.538 -3.070 261 3HD1 LEU 36 3HD1 LEU 36 -4.691 6.340 -3.054 262 1HD2 LEU 36 1HD2 LEU 36 -6.182 8.045 -2.098 263 2HD2 LEU 36 2HD2 LEU 36 -5.039 9.390 -2.247 264 3HD2 LEU 36 3HD2 LEU 36 -6.629 9.479 -3.032 265 H THR 37 H THR 37 -2.971 11.951 -4.479 266 HA THR 37 HA THR 37 -3.172 13.631 -6.577 267 HB THR 37 HB THR 37 -0.755 13.912 -4.818 268 HG1 THR 37 1HG THR 37 -1.704 13.663 -2.960 269 1HG2 THR 37 1HG2 THR 37 -1.804 16.090 -4.337 270 2HG2 THR 37 2HG2 THR 37 -1.723 15.798 -6.086 271 3HG2 THR 37 3HG2 THR 37 -3.264 15.600 -5.222 272 H SER 38 H SER 38 -0.616 11.198 -6.062 273 HA SER 38 HA SER 38 0.456 11.800 -8.724 274 1HB SER 38 2HB SER 38 2.187 11.975 -6.218 275 2HB SER 38 3HB SER 38 2.789 11.964 -7.898 276 HG SER 38 HG SER 38 0.878 13.796 -7.732 277 H LYS 39 H LYS 39 2.572 9.942 -6.740 278 HA LYS 39 HA LYS 39 1.319 7.384 -7.416 279 1HB LYS 39 2HB LYS 39 3.095 6.772 -9.038 280 2HB LYS 39 3HB LYS 39 2.039 8.064 -9.597 281 1HG LYS 39 2HG LYS 39 3.926 9.674 -8.680 282 2HG LYS 39 3HG LYS 39 4.942 8.235 -8.725 283 1HD LYS 39 2HD LYS 39 3.329 9.386 -11.063 284 2HD LYS 39 3HD LYS 39 5.037 9.737 -10.752 285 1HE LYS 39 2HE LYS 39 5.588 7.314 -11.000 286 2HE LYS 39 3HE LYS 39 3.877 6.978 -11.338 287 1HZ LYS 39 1HZ LYS 39 4.004 8.271 -13.296 288 2HZ LYS 39 2HZ LYS 39 5.569 8.705 -13.002 289 3HZ LYS 39 3HZ LYS 39 5.190 7.139 -13.326 290 H LYS 40 H LYS 40 2.264 8.643 -4.973 291 HA LYS 40 HA LYS 40 4.461 6.774 -4.242 292 1HB LYS 40 2HB LYS 40 5.549 8.414 -2.919 293 2HB LYS 40 3HB LYS 40 5.328 9.083 -4.530 294 1HG LYS 40 2HG LYS 40 4.792 10.879 -3.190 295 2HG LYS 40 3HG LYS 40 3.214 10.250 -3.584 296 1HD LYS 40 2HD LYS 40 2.715 9.824 -1.405 297 2HD LYS 40 3HD LYS 40 4.231 8.986 -1.100 298 1HE LYS 40 2HE LYS 40 3.853 12.016 -1.128 299 2HE LYS 40 3HE LYS 40 3.840 11.001 0.314 300 1HZ LYS 40 1HZ LYS 40 5.991 11.988 -0.038 301 2HZ LYS 40 2HZ LYS 40 6.145 10.362 -0.179 302 3HZ LYS 40 3HZ LYS 40 6.135 11.290 -1.516 303 H VAL 41 H VAL 41 4.304 5.907 -2.159 304 HA VAL 41 HA VAL 41 2.012 6.777 -0.515 305 HB VAL 41 HB VAL 41 1.253 4.818 -1.803 306 1HG1 VAL 41 1HG1 VAL 41 2.179 2.601 -1.453 307 2HG1 VAL 41 2HG1 VAL 41 3.401 3.670 -2.163 308 3HG1 VAL 41 3HG1 VAL 41 3.462 3.269 -0.422 309 1HG2 VAL 41 1HG2 VAL 41 0.522 5.252 0.598 310 2HG2 VAL 41 2HG2 VAL 41 0.401 3.557 0.092 311 3HG2 VAL 41 3HG2 VAL 41 1.744 4.092 1.119 312 H THR 42 H THR 42 2.379 6.659 1.660 313 HA THR 42 HA THR 42 5.111 5.936 2.546 314 HB THR 42 HB THR 42 3.292 8.271 3.347 315 HG1 THR 42 1HG THR 42 4.991 9.506 2.474 316 1HG2 THR 42 1HG2 THR 42 5.249 9.019 4.715 317 2HG2 THR 42 2HG2 THR 42 4.569 7.492 5.290 318 3HG2 THR 42 3HG2 THR 42 6.057 7.485 4.322 319 H ILE 43 H ILE 43 4.973 4.390 4.112 320 HA ILE 43 HA ILE 43 2.404 3.985 5.595 321 HB ILE 43 HB ILE 43 4.345 1.867 4.624 322 1HG1 ILE 43 2HG1 ILE 43 3.084 2.866 2.712 323 2HG1 ILE 43 3HG1 ILE 43 2.730 1.181 2.987 324 1HG2 ILE 43 1HG2 ILE 43 2.469 0.318 5.345 325 2HG2 ILE 43 2HG2 ILE 43 3.290 1.164 6.664 326 3HG2 ILE 43 3HG2 ILE 43 1.697 1.714 6.120 327 1HD1 ILE 43 1HD1 ILE 43 0.607 1.688 4.046 328 2HD1 ILE 43 2HD1 ILE 43 0.913 3.440 3.886 329 3HD1 ILE 43 3HD1 ILE 43 0.703 2.423 2.451 330 H THR 44 H THR 44 2.649 4.313 7.700 331 HA THR 44 HA THR 44 5.343 4.081 8.966 332 HB THR 44 HB THR 44 2.853 5.612 9.757 333 HG1 THR 44 1HG THR 44 4.103 7.365 9.213 334 1HG2 THR 44 1HG2 THR 44 4.299 6.587 11.534 335 2HG2 THR 44 2HG2 THR 44 4.069 4.849 11.778 336 3HG2 THR 44 3HG2 THR 44 5.596 5.456 11.095 337 H SER 45 H SER 45 5.506 1.989 9.501 338 HA SER 45 HA SER 45 3.741 0.863 11.523 339 1HB SER 45 2HB SER 45 3.428 -1.232 10.316 340 2HB SER 45 3HB SER 45 2.745 0.053 9.319 341 HG SER 45 HG SER 45 4.665 0.070 8.108 342 H ALA 46 H ALA 46 4.877 -1.517 11.883 343 HA ALA 46 HA ALA 46 7.795 -1.412 11.295 344 1HB ALA 46 1HB ALA 46 8.288 -2.341 13.506 345 2HB ALA 46 2HB ALA 46 7.476 -0.772 13.670 346 3HB ALA 46 3HB ALA 46 6.566 -2.277 13.945 347 H LEU 47 H LEU 47 5.454 -2.658 9.986 348 HA LEU 47 HA LEU 47 6.592 -5.286 9.618 349 1HB LEU 47 2HB LEU 47 4.862 -6.677 10.335 350 2HB LEU 47 3HB LEU 47 5.179 -5.545 11.643 351 HG LEU 47 HG LEU 47 3.157 -4.186 10.701 352 1HD1 LEU 47 1HD1 LEU 47 1.401 -5.958 9.853 353 2HD1 LEU 47 2HD1 LEU 47 2.512 -5.306 8.664 354 3HD1 LEU 47 3HD1 LEU 47 2.798 -6.915 9.365 355 1HD2 LEU 47 1HD2 LEU 47 1.638 -5.501 12.097 356 2HD2 LEU 47 2HD2 LEU 47 2.782 -6.865 12.068 357 3HD2 LEU 47 3HD2 LEU 47 3.225 -5.330 12.863 358 H GLY 48 H GLY 48 3.901 -3.012 8.881 359 1HA GLY 48 2HA GLY 48 2.912 -3.707 6.545 360 2HA GLY 48 3HA GLY 48 3.474 -2.073 6.862 361 H GLU 49 H GLU 49 6.328 -2.610 6.932 362 HA GLU 49 HA GLU 49 7.119 -2.311 4.343 363 1HB GLU 49 2HB GLU 49 8.428 -2.153 6.545 364 2HB GLU 49 3HB GLU 49 8.722 -3.884 6.438 365 1HG GLU 49 2HG GLU 49 9.483 -1.962 4.194 366 2HG GLU 49 3HG GLU 49 10.528 -2.255 5.591 367 H GLU 50 H GLU 50 7.312 -5.542 5.943 368 HA GLU 50 HA GLU 50 7.548 -6.868 3.347 369 1HB GLU 50 2HB GLU 50 7.843 -7.682 6.166 370 2HB GLU 50 3HB GLU 50 6.835 -8.812 5.265 371 1HG GLU 50 2HG GLU 50 8.619 -8.859 3.458 372 2HG GLU 50 3HG GLU 50 9.659 -7.944 4.568 373 H GLN 51 H GLN 51 4.933 -6.369 5.758 374 HA GLN 51 HA GLN 51 3.168 -8.219 4.679 375 1HB GLN 51 2HB GLN 51 3.079 -6.638 6.800 376 2HB GLN 51 3HB GLN 51 2.054 -5.634 5.764 377 1HG GLN 51 2HG GLN 51 1.635 -8.580 6.463 378 2HG GLN 51 3HG GLN 51 0.796 -7.223 7.220 379 1HE2 GLN 51 1HE2 GLN 51 -0.448 -9.454 5.796 380 2HE2 GLN 51 2HE2 GLN 51 -1.248 -8.786 4.377 381 H LEU 52 H LEU 52 3.592 -4.800 3.714 382 HA LEU 52 HA LEU 52 1.681 -4.485 1.709 383 1HB LEU 52 2HB LEU 52 4.561 -3.548 1.938 384 2HB LEU 52 3HB LEU 52 3.499 -2.992 0.651 385 HG LEU 52 HG LEU 52 2.613 -2.667 3.520 386 1HD1 LEU 52 1HD1 LEU 52 5.001 -1.733 3.127 387 2HD1 LEU 52 2HD1 LEU 52 4.247 -0.604 1.995 388 3HD1 LEU 52 3HD1 LEU 52 3.791 -0.606 3.718 389 1HD2 LEU 52 1HD2 LEU 52 1.053 -2.276 1.577 390 2HD2 LEU 52 2HD2 LEU 52 1.306 -0.853 2.606 391 3HD2 LEU 52 3HD2 LEU 52 2.119 -0.979 1.030 392 H ARG 53 H ARG 53 4.924 -6.065 1.548 393 HA ARG 53 HA ARG 53 4.999 -6.233 -1.275 394 1HB ARG 53 2HB ARG 53 6.785 -6.869 0.663 395 2HB ARG 53 3HB ARG 53 6.145 -8.484 0.375 396 1HG ARG 53 2HG ARG 53 7.966 -8.338 -1.101 397 2HG ARG 53 3HG ARG 53 6.592 -7.976 -2.159 398 1HD ARG 53 2HD ARG 53 7.087 -5.456 -1.611 399 2HD ARG 53 3HD ARG 53 8.522 -6.035 -0.800 400 HE ARG 53 HE ARG 53 9.578 -6.478 -2.779 401 1HH1 ARG 53 2HH2 ARG 53 6.189 -5.829 -3.489 402 2HH1 ARG 53 1HH2 ARG 53 6.462 -5.279 -5.119 403 1HH2 ARG 53 2HH1 ARG 53 9.969 -5.831 -4.976 404 2HH2 ARG 53 1HH1 ARG 53 8.653 -5.324 -5.981 405 H THR 54 H THR 54 3.632 -8.392 1.171 406 HA THR 54 HA THR 54 2.679 -10.346 -0.755 407 HB THR 54 HB THR 54 1.907 -9.947 2.171 408 HG1 THR 54 1HG THR 54 4.137 -10.308 1.858 409 1HG2 THR 54 1HG2 THR 54 1.361 -12.365 2.058 410 2HG2 THR 54 2HG2 THR 54 0.312 -11.421 0.985 411 3HG2 THR 54 3HG2 THR 54 1.666 -12.357 0.309 412 H ALA 55 H ALA 55 1.017 -7.863 1.281 413 HA ALA 55 HA ALA 55 -1.583 -8.389 0.348 414 1HB ALA 55 1HB ALA 55 -2.123 -6.129 1.235 415 2HB ALA 55 2HB ALA 55 -1.192 -7.132 2.360 416 3HB ALA 55 3HB ALA 55 -0.382 -5.829 1.456 417 H ILE 56 H ILE 56 0.693 -5.829 -0.749 418 HA ILE 56 HA ILE 56 -0.737 -4.834 -2.956 419 HB ILE 56 HB ILE 56 2.255 -5.429 -2.760 420 1HG1 ILE 56 2HG1 ILE 56 1.305 -3.686 -1.133 421 2HG1 ILE 56 3HG1 ILE 56 2.618 -3.178 -2.186 422 1HG2 ILE 56 1HG2 ILE 56 0.610 -3.981 -4.812 423 2HG2 ILE 56 2HG2 ILE 56 2.364 -3.689 -4.629 424 3HG2 ILE 56 3HG2 ILE 56 1.781 -5.287 -5.091 425 1HD1 ILE 56 1HD1 ILE 56 -0.320 -2.575 -2.741 426 2HD1 ILE 56 2HD1 ILE 56 0.862 -1.458 -2.009 427 3HD1 ILE 56 3HD1 ILE 56 1.052 -1.999 -3.668 428 H ALA 57 H ALA 57 1.540 -7.665 -2.958 429 HA ALA 57 HA ALA 57 1.146 -8.262 -5.665 430 1HB ALA 57 1HB ALA 57 3.004 -9.173 -4.344 431 2HB ALA 57 2HB ALA 57 1.875 -10.166 -3.393 432 3HB ALA 57 3HB ALA 57 2.095 -10.480 -5.125 433 H SER 58 H SER 58 -0.811 -9.219 -2.868 434 HA SER 58 HA SER 58 -2.462 -11.168 -3.959 435 1HB SER 58 2HB SER 58 -2.516 -10.024 -1.618 436 2HB SER 58 3HB SER 58 -3.639 -8.869 -2.372 437 HG SER 58 HG SER 58 -4.802 -10.562 -1.478 438 H ALA 59 H ALA 59 -2.687 -7.620 -4.467 439 HA ALA 59 HA ALA 59 -4.948 -7.925 -6.374 440 1HB ALA 59 1HB ALA 59 -3.486 -5.515 -5.249 441 2HB ALA 59 2HB ALA 59 -4.797 -5.440 -6.450 442 3HB ALA 59 3HB ALA 59 -5.107 -6.093 -4.828 443 H GLY 60 H GLY 60 -1.508 -7.066 -6.274 444 1HA GLY 60 2HA GLY 60 0.085 -7.522 -7.905 445 2HA GLY 60 3HA GLY 60 -1.177 -7.805 -9.107 446 H HIS 61 H HIS 61 -0.037 -5.101 -7.011 447 HA HIS 61 HA HIS 61 -0.378 -3.175 -9.261 448 1HB HIS 61 2HB HIS 61 0.738 -2.641 -6.493 449 2HB HIS 61 3HB HIS 61 0.363 -1.469 -7.743 450 HD1 HIS 61 1HD HIS 61 -1.672 -0.135 -7.054 451 HD2 HIS 61 2HD HIS 61 -1.775 -4.147 -5.818 452 HE1 HIS 61 1HE HIS 61 -3.845 -0.437 -5.749 453 H GLU 62 H GLU 62 1.421 -2.271 -10.304 454 HA GLU 62 HA GLU 62 3.893 -3.796 -10.295 455 1HB GLU 62 2HB GLU 62 3.115 -1.275 -11.824 456 2HB GLU 62 3HB GLU 62 4.439 -2.371 -12.208 457 1HG GLU 62 2HG GLU 62 1.510 -3.277 -12.255 458 2HG GLU 62 3HG GLU 62 2.356 -2.584 -13.635 459 H VAL 63 H VAL 63 3.820 -2.950 -7.877 460 HA VAL 63 HA VAL 63 4.832 -0.240 -7.464 461 HB VAL 63 HB VAL 63 4.151 -2.557 -5.652 462 1HG1 VAL 63 1HG1 VAL 63 4.546 -1.061 -3.704 463 2HG1 VAL 63 2HG1 VAL 63 6.055 -1.505 -4.506 464 3HG1 VAL 63 3HG1 VAL 63 5.353 0.104 -4.768 465 1HG2 VAL 63 1HG2 VAL 63 3.138 0.310 -5.826 466 2HG2 VAL 63 2HG2 VAL 63 2.404 -1.022 -6.729 467 3HG2 VAL 63 3HG2 VAL 63 2.391 -1.016 -4.952 468 H GLU 64 H GLU 64 6.792 0.452 -6.847 469 HA GLU 64 HA GLU 64 9.063 -1.451 -6.809 470 1HB GLU 64 2HB GLU 64 8.662 0.089 -8.958 471 2HB GLU 64 3HB GLU 64 9.330 1.350 -7.912 472 1HG GLU 64 2HG GLU 64 11.377 -0.068 -7.623 473 2HG GLU 64 3HG GLU 64 10.651 -1.301 -8.674 Start of MODEL 19 1 1H MET 1 H1 MET 1 10.897 7.955 6.756 2 2H MET 1 H2 MET 1 12.449 8.234 7.258 3 3H MET 1 H3 MET 1 12.032 6.792 6.561 4 HA MET 1 HA MET 1 12.273 6.498 8.902 5 1HB MET 1 2HB MET 1 10.161 8.700 8.970 6 2HB MET 1 3HB MET 1 10.355 7.530 10.282 7 1HG MET 1 2HG MET 1 12.695 8.203 10.589 8 2HG MET 1 3HG MET 1 12.511 9.446 9.334 9 1HE MET 1 1HE MET 1 13.530 9.866 12.404 10 2HE MET 1 2HE MET 1 13.490 11.166 11.182 11 3HE MET 1 3HE MET 1 12.724 11.408 12.770 12 H THR 2 H THR 2 8.881 7.269 7.965 13 HA THR 2 HA THR 2 7.783 4.672 8.347 14 HB THR 2 HB THR 2 5.968 5.865 6.962 15 HG1 THR 2 1HG THR 2 7.397 7.228 5.780 16 1HG2 THR 2 1HG2 THR 2 5.530 7.569 8.696 17 2HG2 THR 2 2HG2 THR 2 6.104 6.065 9.452 18 3HG2 THR 2 3HG2 THR 2 7.184 7.458 9.296 19 H ILE 3 H ILE 3 6.853 3.391 6.467 20 HA ILE 3 HA ILE 3 9.073 2.808 4.606 21 HB ILE 3 HB ILE 3 6.446 1.416 5.299 22 1HG1 ILE 3 2HG1 ILE 3 7.935 -0.405 6.093 23 2HG1 ILE 3 3HG1 ILE 3 9.351 0.613 5.819 24 1HG2 ILE 3 1HG2 ILE 3 6.948 0.982 2.952 25 2HG2 ILE 3 2HG2 ILE 3 8.625 0.558 3.349 26 3HG2 ILE 3 3HG2 ILE 3 7.277 -0.459 3.898 27 1HD1 ILE 3 1HD1 ILE 3 8.714 2.062 7.651 28 2HD1 ILE 3 2HD1 ILE 3 7.080 1.345 7.721 29 3HD1 ILE 3 3HD1 ILE 3 8.502 0.404 8.207 30 H GLN 4 H GLN 4 9.075 4.048 2.725 31 HA GLN 4 HA GLN 4 6.473 5.012 1.670 32 1HB GLN 4 2HB GLN 4 7.943 6.717 2.690 33 2HB GLN 4 3HB GLN 4 9.201 6.331 1.499 34 1HG GLN 4 2HG GLN 4 7.767 7.040 -0.325 35 2HG GLN 4 3HG GLN 4 6.370 7.180 0.754 36 1HE2 GLN 4 1HE2 GLN 4 6.082 9.046 2.024 37 2HE2 GLN 4 2HE2 GLN 4 7.176 10.421 1.909 38 H LEU 5 H LEU 5 5.917 4.423 -0.322 39 HA LEU 5 HA LEU 5 7.896 2.977 -2.053 40 1HB LEU 5 2HB LEU 5 4.982 2.209 -1.874 41 2HB LEU 5 3HB LEU 5 6.326 1.317 -2.548 42 HG LEU 5 HG LEU 5 5.475 0.235 -0.634 43 1HD1 LEU 5 1HD1 LEU 5 8.196 1.405 0.057 44 2HD1 LEU 5 2HD1 LEU 5 7.498 -0.101 0.680 45 3HD1 LEU 5 3HD1 LEU 5 7.887 0.049 -1.043 46 1HD2 LEU 5 1HD2 LEU 5 5.180 1.078 1.519 47 2HD2 LEU 5 2HD2 LEU 5 6.260 2.425 1.266 48 3HD2 LEU 5 3HD2 LEU 5 4.656 2.421 0.517 49 H THR 6 H THR 6 7.093 2.723 -4.299 50 HA THR 6 HA THR 6 5.561 5.074 -5.301 51 HB THR 6 HB THR 6 8.105 3.725 -6.253 52 HG1 THR 6 1HG THR 6 8.964 5.663 -5.762 53 1HG2 THR 6 1HG2 THR 6 8.095 5.436 -8.095 54 2HG2 THR 6 2HG2 THR 6 6.873 4.180 -8.289 55 3HG2 THR 6 3HG2 THR 6 6.398 5.794 -7.703 56 H VAL 7 H VAL 7 3.688 4.391 -6.123 57 HA VAL 7 HA VAL 7 3.404 1.685 -7.428 58 HB VAL 7 HB VAL 7 2.151 1.670 -5.513 59 1HG1 VAL 7 1HG1 VAL 7 1.007 4.408 -6.154 60 2HG1 VAL 7 2HG1 VAL 7 0.403 3.312 -4.898 61 3HG1 VAL 7 3HG1 VAL 7 2.039 3.961 -4.784 62 1HG2 VAL 7 1HG2 VAL 7 1.033 0.899 -7.646 63 2HG2 VAL 7 2HG2 VAL 7 0.007 1.180 -6.226 64 3HG2 VAL 7 3HG2 VAL 7 0.059 2.380 -7.515 65 HA PRO 8 HA PRO 8 3.098 4.834 -10.753 66 1HB PRO 8 2HB PRO 8 3.955 3.276 -12.827 67 2HB PRO 8 3HB PRO 8 5.063 4.103 -11.696 68 1HG PRO 8 2HG PRO 8 4.152 1.221 -11.590 69 2HG PRO 8 3HG PRO 8 5.812 1.856 -11.434 70 1HD PRO 8 2HD PRO 8 4.313 1.225 -9.284 71 2HD PRO 8 3HD PRO 8 5.418 2.620 -9.246 72 H THR 9 H THR 9 1.971 1.495 -10.509 73 HA THR 9 HA THR 9 -0.241 2.052 -12.377 74 HB THR 9 HB THR 9 1.235 0.079 -12.558 75 HG1 THR 9 1HG THR 9 -1.551 -0.259 -12.158 76 1HG2 THR 9 1HG2 THR 9 0.747 -1.895 -11.298 77 2HG2 THR 9 2HG2 THR 9 1.493 -0.645 -10.258 78 3HG2 THR 9 3HG2 THR 9 -0.244 -1.014 -10.139 79 H ILE 10 H ILE 10 -0.220 3.339 -9.600 80 HA ILE 10 HA ILE 10 -2.315 2.666 -8.123 81 HB ILE 10 HB ILE 10 -0.988 5.055 -8.923 82 1HG1 ILE 10 2HG1 ILE 10 -3.074 4.443 -6.857 83 2HG1 ILE 10 3HG1 ILE 10 -1.328 4.266 -6.710 84 1HG2 ILE 10 1HG2 ILE 10 -2.888 5.517 -10.473 85 2HG2 ILE 10 2HG2 ILE 10 -3.971 5.579 -9.059 86 3HG2 ILE 10 3HG2 ILE 10 -2.642 6.746 -9.227 87 1HD1 ILE 10 1HD1 ILE 10 -1.962 6.269 -5.511 88 2HD1 ILE 10 2HD1 ILE 10 -1.098 6.771 -6.977 89 3HD1 ILE 10 3HD1 ILE 10 -2.872 6.892 -6.896 90 H ALA 11 H ALA 11 -4.615 3.044 -8.114 91 HA ALA 11 HA ALA 11 -6.731 2.958 -8.882 92 1HB ALA 11 1HB ALA 11 -5.784 3.772 -11.631 93 2HB ALA 11 2HB ALA 11 -7.419 3.830 -10.961 94 3HB ALA 11 3HB ALA 11 -6.160 4.876 -10.286 95 H CYS 12 H CYS 12 -4.321 1.004 -10.367 96 HA CYS 12 HA CYS 12 -5.544 -0.771 -11.976 97 1HB CYS 12 2HB CYS 12 -3.268 -0.972 -11.481 98 2HB CYS 12 3HB CYS 12 -3.558 -1.159 -9.744 99 HG CYS 12 HG CYS 12 -4.513 -3.221 -12.145 100 H GLU 13 H GLU 13 -5.724 -1.110 -8.364 101 HA GLU 13 HA GLU 13 -8.113 -2.879 -8.732 102 1HB GLU 13 2HB GLU 13 -5.804 -2.975 -6.786 103 2HB GLU 13 3HB GLU 13 -7.415 -3.387 -6.192 104 1HG GLU 13 2HG GLU 13 -6.179 -4.686 -8.650 105 2HG GLU 13 3HG GLU 13 -6.167 -5.381 -7.021 106 H ALA 14 H ALA 14 -8.721 -0.544 -9.243 107 HA ALA 14 HA ALA 14 -10.371 0.915 -8.793 108 1HB ALA 14 1HB ALA 14 -11.581 1.032 -6.727 109 2HB ALA 14 2HB ALA 14 -11.330 -0.678 -7.127 110 3HB ALA 14 3HB ALA 14 -10.360 0.100 -5.856 111 H CYS 15 H CYS 15 -7.743 0.756 -6.399 112 HA CYS 15 HA CYS 15 -6.622 3.283 -6.784 113 1HB CYS 15 2HB CYS 15 -9.062 3.392 -5.048 114 2HB CYS 15 3HB CYS 15 -7.582 4.058 -4.335 115 HG CYS 15 HG CYS 15 -8.862 4.841 -7.247 116 H ALA 16 H ALA 16 -4.909 3.624 -5.414 117 HA ALA 16 HA ALA 16 -3.635 1.365 -4.311 118 1HB ALA 16 1HB ALA 16 -2.348 3.297 -4.885 119 2HB ALA 16 2HB ALA 16 -3.253 4.328 -3.750 120 3HB ALA 16 3HB ALA 16 -2.170 3.050 -3.146 121 H GLU 17 H GLU 17 -5.998 3.586 -2.805 122 HA GLU 17 HA GLU 17 -5.562 2.953 -0.167 123 1HB GLU 17 2HB GLU 17 -7.721 3.624 0.373 124 2HB GLU 17 3HB GLU 17 -7.189 4.641 -0.960 125 1HG GLU 17 2HG GLU 17 -8.625 3.357 -2.516 126 2HG GLU 17 3HG GLU 17 -9.078 2.248 -1.223 127 H ALA 18 H ALA 18 -6.928 0.867 -2.675 128 HA ALA 18 HA ALA 18 -8.104 -1.196 -1.205 129 1HB ALA 18 1HB ALA 18 -8.058 -1.045 -3.656 130 2HB ALA 18 2HB ALA 18 -6.316 -1.375 -3.671 131 3HB ALA 18 3HB ALA 18 -7.450 -2.619 -3.104 132 H VAL 19 H VAL 19 -4.561 -0.708 -1.927 133 HA VAL 19 HA VAL 19 -3.887 -3.168 -0.586 134 HB VAL 19 HB VAL 19 -2.382 -1.941 -2.255 135 1HG1 VAL 19 1HG1 VAL 19 -0.596 -0.588 -1.312 136 2HG1 VAL 19 2HG1 VAL 19 -2.110 0.241 -0.948 137 3HG1 VAL 19 3HG1 VAL 19 -1.275 -0.685 0.316 138 1HG2 VAL 19 1HG2 VAL 19 -1.371 -3.136 0.376 139 2HG2 VAL 19 2HG2 VAL 19 -1.896 -4.049 -1.051 140 3HG2 VAL 19 3HG2 VAL 19 -0.448 -3.041 -1.110 141 H THR 20 H THR 20 -4.127 0.235 0.349 142 HA THR 20 HA THR 20 -3.083 0.062 2.992 143 HB THR 20 HB THR 20 -4.955 1.906 1.567 144 HG1 THR 20 1HG THR 20 -2.678 2.083 1.554 145 1HG2 THR 20 1HG2 THR 20 -6.195 1.840 3.581 146 2HG2 THR 20 2HG2 THR 20 -4.722 1.851 4.563 147 3HG2 THR 20 3HG2 THR 20 -5.185 3.287 3.607 148 H LYS 21 H LYS 21 -6.505 -0.446 1.879 149 HA LYS 21 HA LYS 21 -7.401 -1.048 4.516 150 1HB LYS 21 2HB LYS 21 -8.727 -2.317 2.119 151 2HB LYS 21 3HB LYS 21 -9.424 -1.750 3.643 152 1HG LYS 21 2HG LYS 21 -8.373 0.598 2.682 153 2HG LYS 21 3HG LYS 21 -8.685 -0.290 1.170 154 1HD LYS 21 2HD LYS 21 -11.086 -0.566 1.957 155 2HD LYS 21 3HD LYS 21 -10.678 0.544 3.296 156 1HE LYS 21 2HE LYS 21 -9.721 2.131 1.460 157 2HE LYS 21 3HE LYS 21 -10.486 1.066 0.277 158 1HZ LYS 21 1HZ LYS 21 -12.611 1.652 1.246 159 2HZ LYS 21 2HZ LYS 21 -11.858 2.668 2.328 160 3HZ LYS 21 3HZ LYS 21 -11.730 2.941 0.709 161 H ALA 22 H ALA 22 -6.126 -3.156 1.919 162 HA ALA 22 HA ALA 22 -6.517 -5.640 3.239 163 1HB ALA 22 1HB ALA 22 -5.872 -5.471 0.888 164 2HB ALA 22 2HB ALA 22 -4.291 -4.806 1.356 165 3HB ALA 22 3HB ALA 22 -4.713 -6.473 1.795 166 H VAL 23 H VAL 23 -3.634 -3.538 3.216 167 HA VAL 23 HA VAL 23 -1.986 -4.981 4.995 168 HB VAL 23 HB VAL 23 -2.244 -2.009 4.325 169 1HG1 VAL 23 1HG1 VAL 23 -0.029 -1.583 5.062 170 2HG1 VAL 23 2HG1 VAL 23 -0.874 -2.305 6.448 171 3HG1 VAL 23 3HG1 VAL 23 0.262 -3.265 5.457 172 1HG2 VAL 23 1HG2 VAL 23 -0.540 -2.343 2.715 173 2HG2 VAL 23 2HG2 VAL 23 -0.103 -3.946 3.349 174 3HG2 VAL 23 3HG2 VAL 23 -1.617 -3.727 2.491 175 H GLN 24 H GLN 24 -4.403 -2.396 5.642 176 HA GLN 24 HA GLN 24 -3.975 -2.454 8.486 177 1HB GLN 24 2HB GLN 24 -6.334 -1.369 6.896 178 2HB GLN 24 3HB GLN 24 -6.083 -1.188 8.637 179 1HG GLN 24 2HG GLN 24 -3.723 -0.232 7.952 180 2HG GLN 24 3HG GLN 24 -4.499 0.074 6.406 181 1HE2 GLN 24 1HE2 GLN 24 -3.708 1.729 9.158 182 2HE2 GLN 24 2HE2 GLN 24 -5.048 2.836 9.123 183 H ASN 25 H ASN 25 -5.546 -4.860 6.529 184 HA ASN 25 HA ASN 25 -7.454 -5.709 8.529 185 1HB ASN 25 2HB ASN 25 -5.887 -7.393 6.520 186 2HB ASN 25 3HB ASN 25 -7.192 -7.968 7.545 187 1HD2 ASN 25 1HD2 ASN 25 -7.069 -7.952 4.609 188 2HD2 ASN 25 2HD2 ASN 25 -8.509 -7.067 4.121 189 H GLU 26 H GLU 26 -4.045 -6.756 7.843 190 HA GLU 26 HA GLU 26 -3.890 -8.210 10.364 191 1HB GLU 26 2HB GLU 26 -1.869 -7.582 8.205 192 2HB GLU 26 3HB GLU 26 -1.645 -8.713 9.562 193 1HG GLU 26 2HG GLU 26 -4.029 -9.575 8.354 194 2HG GLU 26 3HG GLU 26 -3.108 -8.987 6.973 195 H ASP 27 H ASP 27 -2.256 -5.377 8.843 196 HA ASP 27 HA ASP 27 -0.945 -4.730 11.367 197 1HB ASP 27 2HB ASP 27 0.054 -4.620 8.971 198 2HB ASP 27 3HB ASP 27 -0.808 -3.103 8.780 199 H ALA 28 H ALA 28 -3.398 -4.593 12.090 200 HA ALA 28 HA ALA 28 -4.971 -2.363 11.189 201 1HB ALA 28 1HB ALA 28 -6.575 -3.065 12.801 202 2HB ALA 28 2HB ALA 28 -5.802 -4.551 12.225 203 3HB ALA 28 3HB ALA 28 -5.350 -3.871 13.804 204 H GLN 29 H GLN 29 -2.492 -2.678 13.522 205 HA GLN 29 HA GLN 29 -3.095 -0.258 15.023 206 1HB GLN 29 2HB GLN 29 -0.947 -0.723 16.078 207 2HB GLN 29 3HB GLN 29 -2.034 -2.108 16.125 208 1HG GLN 29 2HG GLN 29 -0.737 -3.211 14.320 209 2HG GLN 29 3HG GLN 29 0.280 -1.774 14.156 210 1HE2 GLN 29 1HE2 GLN 29 -0.799 -4.194 16.631 211 2HE2 GLN 29 2HE2 GLN 29 0.741 -4.202 17.474 212 H ALA 30 H ALA 30 -1.701 -0.857 11.884 213 HA ALA 30 HA ALA 30 0.257 1.300 12.079 214 1HB ALA 30 1HB ALA 30 0.846 -0.567 10.799 215 2HB ALA 30 2HB ALA 30 -0.625 -0.490 9.791 216 3HB ALA 30 3HB ALA 30 0.596 0.776 9.660 217 H THR 31 H THR 31 0.373 3.027 10.622 218 HA THR 31 HA THR 31 -2.268 4.274 9.934 219 HB THR 31 HB THR 31 0.367 5.425 10.879 220 HG1 THR 31 1HG THR 31 -1.216 4.521 12.362 221 1HG2 THR 31 1HG2 THR 31 -2.121 6.922 9.939 222 2HG2 THR 31 2HG2 THR 31 -0.776 7.643 10.844 223 3HG2 THR 31 3HG2 THR 31 -0.492 7.014 9.216 224 H VAL 32 H VAL 32 -2.236 5.599 7.982 225 HA VAL 32 HA VAL 32 -0.360 4.648 5.901 226 HB VAL 32 HB VAL 32 -2.334 4.072 4.521 227 1HG1 VAL 32 1HG1 VAL 32 -2.381 2.508 7.136 228 2HG1 VAL 32 2HG1 VAL 32 -2.703 1.918 5.500 229 3HG1 VAL 32 3HG1 VAL 32 -1.065 2.385 5.956 230 1HG2 VAL 32 1HG2 VAL 32 -4.116 5.390 5.515 231 2HG2 VAL 32 2HG2 VAL 32 -4.537 3.694 5.757 232 3HG2 VAL 32 3HG2 VAL 32 -3.906 4.616 7.100 233 H GLN 33 H GLN 33 -0.007 6.235 4.268 234 HA GLN 33 HA GLN 33 -1.846 8.536 4.052 235 1HB GLN 33 2HB GLN 33 1.038 8.583 4.984 236 2HB GLN 33 3HB GLN 33 0.499 9.874 3.911 237 1HG GLN 33 2HG GLN 33 -0.937 9.237 6.519 238 2HG GLN 33 3HG GLN 33 0.417 10.360 6.379 239 1HE2 GLN 33 1HE2 GLN 33 -1.020 12.091 7.123 240 2HE2 GLN 33 2HE2 GLN 33 -2.113 12.818 5.960 241 H VAL 34 H VAL 34 -2.331 8.523 1.882 242 HA VAL 34 HA VAL 34 -0.179 7.774 -0.038 243 HB VAL 34 HB VAL 34 -1.618 5.870 0.248 244 1HG1 VAL 34 1HG1 VAL 34 -3.977 5.836 -0.340 245 2HG1 VAL 34 2HG1 VAL 34 -3.693 6.872 1.066 246 3HG1 VAL 34 3HG1 VAL 34 -3.978 7.596 -0.529 247 1HG2 VAL 34 1HG2 VAL 34 -0.727 6.521 -2.031 248 2HG2 VAL 34 2HG2 VAL 34 -2.145 5.459 -2.034 249 3HG2 VAL 34 3HG2 VAL 34 -2.328 7.187 -2.398 250 H ASP 35 H ASP 35 0.162 9.186 -1.697 251 HA ASP 35 HA ASP 35 -1.542 11.613 -1.821 252 1HB ASP 35 2HB ASP 35 0.899 10.694 -3.324 253 2HB ASP 35 3HB ASP 35 0.019 12.158 -3.734 254 H LEU 36 H LEU 36 -3.532 10.695 -2.623 255 HA LEU 36 HA LEU 36 -3.607 9.353 -5.242 256 1HB LEU 36 2HB LEU 36 -5.844 10.741 -3.715 257 2HB LEU 36 3HB LEU 36 -5.981 9.820 -5.212 258 HG LEU 36 HG LEU 36 -4.664 8.015 -3.536 259 1HD1 LEU 36 1HD1 LEU 36 -6.064 7.957 -1.488 260 2HD1 LEU 36 2HD1 LEU 36 -5.117 9.460 -1.568 261 3HD1 LEU 36 3HD1 LEU 36 -6.848 9.470 -1.967 262 1HD2 LEU 36 1HD2 LEU 36 -7.650 8.290 -4.080 263 2HD2 LEU 36 2HD2 LEU 36 -6.457 7.502 -5.135 264 3HD2 LEU 36 3HD2 LEU 36 -6.817 6.817 -3.540 265 H THR 37 H THR 37 -1.997 10.871 -5.950 266 HA THR 37 HA THR 37 -3.161 13.131 -7.478 267 HB THR 37 HB THR 37 -0.822 13.464 -5.544 268 HG1 THR 37 1HG THR 37 -3.511 13.807 -5.306 269 1HG2 THR 37 1HG2 THR 37 -2.148 15.466 -7.419 270 2HG2 THR 37 2HG2 THR 37 -0.950 15.855 -6.166 271 3HG2 THR 37 3HG2 THR 37 -0.486 14.847 -7.546 272 H SER 38 H SER 38 -0.167 11.292 -6.648 273 HA SER 38 HA SER 38 0.399 11.111 -9.569 274 1HB SER 38 2HB SER 38 2.489 11.676 -7.432 275 2HB SER 38 3HB SER 38 2.752 11.419 -9.179 276 HG SER 38 HG SER 38 2.622 13.616 -8.847 277 H LYS 39 H LYS 39 2.637 9.639 -7.301 278 HA LYS 39 HA LYS 39 1.333 7.028 -7.472 279 1HB LYS 39 2HB LYS 39 3.041 6.083 -8.945 280 2HB LYS 39 3HB LYS 39 2.018 7.273 -9.748 281 1HG LYS 39 2HG LYS 39 4.064 8.916 -9.202 282 2HG LYS 39 3HG LYS 39 4.939 7.382 -9.020 283 1HD LYS 39 2HD LYS 39 3.692 6.841 -11.347 284 2HD LYS 39 3HD LYS 39 3.602 8.584 -11.470 285 1HE LYS 39 2HE LYS 39 6.135 6.871 -11.106 286 2HE LYS 39 3HE LYS 39 5.570 7.543 -12.640 287 1HZ LYS 39 1HZ LYS 39 7.295 8.870 -11.686 288 2HZ LYS 39 2HZ LYS 39 5.904 9.741 -11.751 289 3HZ LYS 39 3HZ LYS 39 6.431 9.126 -10.312 290 H LYS 40 H LYS 40 1.903 8.117 -5.156 291 HA LYS 40 HA LYS 40 4.411 6.882 -4.174 292 1HB LYS 40 2HB LYS 40 5.028 9.027 -3.097 293 2HB LYS 40 3HB LYS 40 4.979 9.159 -4.862 294 1HG LYS 40 2HG LYS 40 2.472 9.896 -4.441 295 2HG LYS 40 3HG LYS 40 3.030 10.249 -2.810 296 1HD LYS 40 2HD LYS 40 4.301 11.361 -5.368 297 2HD LYS 40 3HD LYS 40 2.846 12.031 -4.623 298 1HE LYS 40 2HE LYS 40 4.387 12.012 -2.408 299 2HE LYS 40 3HE LYS 40 5.681 12.156 -3.610 300 1HZ LYS 40 1HZ LYS 40 3.288 13.817 -3.215 301 2HZ LYS 40 2HZ LYS 40 4.825 14.301 -2.883 302 3HZ LYS 40 3HZ LYS 40 4.357 14.099 -4.457 303 H VAL 41 H VAL 41 4.130 6.027 -2.124 304 HA VAL 41 HA VAL 41 1.735 6.797 -0.560 305 HB VAL 41 HB VAL 41 0.943 4.983 -1.942 306 1HG1 VAL 41 1HG1 VAL 41 3.267 3.323 -0.945 307 2HG1 VAL 41 2HG1 VAL 41 1.943 2.756 -1.974 308 3HG1 VAL 41 3HG1 VAL 41 3.098 3.943 -2.597 309 1HG2 VAL 41 1HG2 VAL 41 0.177 3.463 -0.258 310 2HG2 VAL 41 2HG2 VAL 41 1.591 3.755 0.769 311 3HG2 VAL 41 3HG2 VAL 41 0.384 5.029 0.555 312 H THR 42 H THR 42 1.937 6.463 1.681 313 HA THR 42 HA THR 42 4.628 5.679 2.625 314 HB THR 42 HB THR 42 2.925 8.006 3.624 315 HG1 THR 42 1HG THR 42 3.753 8.448 1.600 316 1HG2 THR 42 1HG2 THR 42 4.413 7.067 5.355 317 2HG2 THR 42 2HG2 THR 42 5.790 7.149 4.230 318 3HG2 THR 42 3HG2 THR 42 5.017 8.641 4.810 319 H ILE 43 H ILE 43 4.495 4.159 4.133 320 HA ILE 43 HA ILE 43 1.929 3.575 5.545 321 HB ILE 43 HB ILE 43 4.121 1.784 4.443 322 1HG1 ILE 43 2HG1 ILE 43 2.500 2.576 2.755 323 2HG1 ILE 43 3HG1 ILE 43 2.433 0.850 3.021 324 1HG2 ILE 43 1HG2 ILE 43 2.727 -0.123 5.270 325 2HG2 ILE 43 2HG2 ILE 43 3.520 0.812 6.541 326 3HG2 ILE 43 3HG2 ILE 43 1.787 1.039 6.240 327 1HD1 ILE 43 1HD1 ILE 43 0.388 1.108 4.403 328 2HD1 ILE 43 2HD1 ILE 43 0.415 2.861 4.071 329 3HD1 ILE 43 3HD1 ILE 43 0.200 1.706 2.752 330 H THR 44 H THR 44 2.041 3.995 7.663 331 HA THR 44 HA THR 44 4.690 4.283 8.972 332 HB THR 44 HB THR 44 1.897 5.267 9.528 333 HG1 THR 44 1HG THR 44 2.792 7.262 8.997 334 1HG2 THR 44 1HG2 THR 44 4.474 5.864 11.065 335 2HG2 THR 44 2HG2 THR 44 2.923 6.693 11.305 336 3HG2 THR 44 3HG2 THR 44 3.075 4.975 11.693 337 H SER 45 H SER 45 5.091 2.076 9.245 338 HA SER 45 HA SER 45 3.788 0.929 11.575 339 1HB SER 45 2HB SER 45 3.356 -1.236 10.617 340 2HB SER 45 3HB SER 45 2.587 -0.090 9.535 341 HG SER 45 HG SER 45 3.718 -1.619 8.435 342 H ALA 46 H ALA 46 5.137 -1.305 11.863 343 HA ALA 46 HA ALA 46 8.033 -0.686 11.513 344 1HB ALA 46 1HB ALA 46 7.310 -1.383 13.749 345 2HB ALA 46 2HB ALA 46 6.637 -2.888 13.081 346 3HB ALA 46 3HB ALA 46 8.387 -2.583 13.008 347 H LEU 47 H LEU 47 5.467 -3.053 10.582 348 HA LEU 47 HA LEU 47 7.553 -4.660 9.194 349 1HB LEU 47 2HB LEU 47 6.228 -6.493 9.393 350 2HB LEU 47 3HB LEU 47 6.076 -5.694 10.947 351 HG LEU 47 HG LEU 47 3.913 -4.871 9.078 352 1HD1 LEU 47 1HD1 LEU 47 2.791 -7.077 9.074 353 2HD1 LEU 47 2HD1 LEU 47 4.284 -7.112 8.125 354 3HD1 LEU 47 3HD1 LEU 47 4.237 -7.831 9.751 355 1HD2 LEU 47 1HD2 LEU 47 3.783 -4.528 11.514 356 2HD2 LEU 47 2HD2 LEU 47 2.456 -5.529 10.895 357 3HD2 LEU 47 3HD2 LEU 47 3.809 -6.293 11.757 358 H GLY 48 H GLY 48 6.094 -2.111 8.204 359 1HA GLY 48 2HA GLY 48 4.138 -2.442 6.419 360 2HA GLY 48 3HA GLY 48 5.449 -1.272 6.176 361 H GLU 49 H GLU 49 7.610 -2.679 5.519 362 HA GLU 49 HA GLU 49 7.296 -3.266 2.836 363 1HB GLU 49 2HB GLU 49 9.407 -2.816 4.283 364 2HB GLU 49 3HB GLU 49 9.444 -4.563 4.546 365 1HG GLU 49 2HG GLU 49 9.453 -4.851 2.017 366 2HG GLU 49 3HG GLU 49 9.531 -3.085 1.869 367 H GLU 50 H GLU 50 7.236 -5.582 5.587 368 HA GLU 50 HA GLU 50 7.090 -7.911 3.887 369 1HB GLU 50 2HB GLU 50 7.412 -7.441 6.726 370 2HB GLU 50 3HB GLU 50 5.955 -8.397 6.512 371 1HG GLU 50 2HG GLU 50 7.512 -9.822 4.858 372 2HG GLU 50 3HG GLU 50 8.793 -9.115 5.863 373 H GLN 51 H GLN 51 4.676 -6.038 5.857 374 HA GLN 51 HA GLN 51 2.498 -7.662 5.315 375 1HB GLN 51 2HB GLN 51 2.813 -5.752 7.018 376 2HB GLN 51 3HB GLN 51 2.598 -4.612 5.698 377 1HG GLN 51 2HG GLN 51 0.539 -4.919 6.863 378 2HG GLN 51 3HG GLN 51 0.395 -5.612 5.230 379 1HE2 GLN 51 1HE2 GLN 51 0.880 -6.452 8.700 380 2HE2 GLN 51 2HE2 GLN 51 0.288 -8.098 8.529 381 H LEU 52 H LEU 52 3.679 -4.744 3.663 382 HA LEU 52 HA LEU 52 1.834 -4.598 1.575 383 1HB LEU 52 2HB LEU 52 4.765 -3.826 1.764 384 2HB LEU 52 3HB LEU 52 3.759 -3.363 0.398 385 HG LEU 52 HG LEU 52 2.943 -2.626 3.230 386 1HD1 LEU 52 1HD1 LEU 52 5.278 -1.828 2.701 387 2HD1 LEU 52 2HD1 LEU 52 4.632 -1.042 1.262 388 3HD1 LEU 52 3HD1 LEU 52 4.128 -0.511 2.893 389 1HD2 LEU 52 1HD2 LEU 52 2.351 -1.223 0.601 390 2HD2 LEU 52 2HD2 LEU 52 1.294 -2.486 1.253 391 3HD2 LEU 52 3HD2 LEU 52 1.558 -1.005 2.173 392 H ARG 53 H ARG 53 4.975 -6.379 1.764 393 HA ARG 53 HA ARG 53 5.175 -7.339 -0.769 394 1HB ARG 53 2HB ARG 53 6.393 -7.984 1.596 395 2HB ARG 53 3HB ARG 53 5.422 -9.428 1.395 396 1HG ARG 53 2HG ARG 53 7.458 -9.945 0.437 397 2HG ARG 53 3HG ARG 53 6.445 -9.603 -0.969 398 1HD ARG 53 2HD ARG 53 7.444 -7.437 -1.291 399 2HD ARG 53 3HD ARG 53 8.165 -7.402 0.306 400 HE ARG 53 HE ARG 53 9.235 -8.586 -2.101 401 1HH1 ARG 53 2HH2 ARG 53 9.237 -8.843 1.412 402 2HH1 ARG 53 1HH2 ARG 53 10.790 -9.602 1.539 403 1HH2 ARG 53 2HH1 ARG 53 11.295 -9.638 -1.999 404 2HH2 ARG 53 1HH1 ARG 53 11.976 -10.091 -0.470 405 H THR 54 H THR 54 3.201 -8.997 1.754 406 HA THR 54 HA THR 54 1.967 -10.764 -0.141 407 HB THR 54 HB THR 54 1.048 -10.023 2.667 408 HG1 THR 54 1HG THR 54 2.425 -11.687 3.280 409 1HG2 THR 54 1HG2 THR 54 0.151 -12.352 2.639 410 2HG2 THR 54 2HG2 THR 54 -0.611 -11.361 1.385 411 3HG2 THR 54 3HG2 THR 54 0.658 -12.524 0.946 412 H ALA 55 H ALA 55 0.773 -7.809 1.571 413 HA ALA 55 HA ALA 55 -1.863 -7.983 0.573 414 1HB ALA 55 1HB ALA 55 -0.314 -5.522 1.449 415 2HB ALA 55 2HB ALA 55 -2.079 -5.656 1.290 416 3HB ALA 55 3HB ALA 55 -1.222 -6.620 2.511 417 H ILE 56 H ILE 56 0.798 -5.870 -0.579 418 HA ILE 56 HA ILE 56 -0.392 -4.818 -2.903 419 HB ILE 56 HB ILE 56 2.492 -5.758 -2.638 420 1HG1 ILE 56 2HG1 ILE 56 1.610 -3.947 -0.909 421 2HG1 ILE 56 3HG1 ILE 56 3.165 -3.805 -1.724 422 1HG2 ILE 56 1HG2 ILE 56 1.924 -5.371 -4.961 423 2HG2 ILE 56 2HG2 ILE 56 1.113 -3.855 -4.528 424 3HG2 ILE 56 3HG2 ILE 56 2.889 -4.007 -4.398 425 1HD1 ILE 56 1HD1 ILE 56 2.466 -2.107 -3.138 426 2HD1 ILE 56 2HD1 ILE 56 0.734 -2.383 -2.846 427 3HD1 ILE 56 3HD1 ILE 56 1.766 -1.689 -1.581 428 H ALA 57 H ALA 57 1.499 -7.915 -2.593 429 HA ALA 57 HA ALA 57 1.181 -8.640 -5.303 430 1HB ALA 57 1HB ALA 57 1.823 -10.906 -4.569 431 2HB ALA 57 2HB ALA 57 2.857 -9.661 -3.845 432 3HB ALA 57 3HB ALA 57 1.581 -10.435 -2.874 433 H SER 58 H SER 58 -0.939 -9.240 -2.513 434 HA SER 58 HA SER 58 -2.708 -11.098 -3.623 435 1HB SER 58 2HB SER 58 -2.624 -10.097 -1.233 436 2HB SER 58 3HB SER 58 -3.624 -8.781 -1.874 437 HG SER 58 HG SER 58 -4.252 -11.553 -1.938 438 H ALA 59 H ALA 59 -2.651 -7.544 -3.986 439 HA ALA 59 HA ALA 59 -4.955 -7.478 -5.813 440 1HB ALA 59 1HB ALA 59 -4.122 -5.077 -6.103 441 2HB ALA 59 2HB ALA 59 -4.626 -5.543 -4.464 442 3HB ALA 59 3HB ALA 59 -2.905 -5.451 -4.873 443 H GLY 60 H GLY 60 -1.412 -7.196 -6.047 444 1HA GLY 60 2HA GLY 60 -0.040 -7.997 -7.761 445 2HA GLY 60 3HA GLY 60 -1.427 -8.164 -8.843 446 H HIS 61 H HIS 61 0.327 -5.584 -7.031 447 HA HIS 61 HA HIS 61 0.090 -3.771 -9.410 448 1HB HIS 61 2HB HIS 61 0.731 -3.152 -6.533 449 2HB HIS 61 3HB HIS 61 0.735 -1.971 -7.843 450 HD1 HIS 61 1HD HIS 61 -1.654 -0.981 -8.525 451 HD2 HIS 61 2HD HIS 61 -1.479 -3.742 -5.364 452 HE1 HIS 61 1HE HIS 61 -3.781 -0.665 -7.160 453 H GLU 62 H GLU 62 1.915 -2.700 -10.094 454 HA GLU 62 HA GLU 62 4.480 -4.097 -9.949 455 1HB GLU 62 2HB GLU 62 3.497 -1.755 -11.654 456 2HB GLU 62 3HB GLU 62 4.966 -2.698 -11.913 457 1HG GLU 62 2HG GLU 62 2.117 -3.810 -12.092 458 2HG GLU 62 3HG GLU 62 3.126 -3.325 -13.454 459 H VAL 63 H VAL 63 4.239 -3.079 -7.560 460 HA VAL 63 HA VAL 63 4.973 -0.237 -7.409 461 HB VAL 63 HB VAL 63 4.686 -2.288 -5.184 462 1HG1 VAL 63 1HG1 VAL 63 5.921 -0.230 -4.474 463 2HG1 VAL 63 2HG1 VAL 63 4.546 0.750 -5.032 464 3HG1 VAL 63 3HG1 VAL 63 4.346 -0.394 -3.700 465 1HG2 VAL 63 1HG2 VAL 63 2.625 -2.214 -6.267 466 2HG2 VAL 63 2HG2 VAL 63 2.399 -0.999 -4.999 467 3HG2 VAL 63 3HG2 VAL 63 2.733 -0.489 -6.656 468 H GLU 64 H GLU 64 6.892 0.664 -6.744 469 HA GLU 64 HA GLU 64 9.265 -1.107 -6.349 470 1HB GLU 64 2HB GLU 64 9.133 1.802 -7.248 471 2HB GLU 64 3HB GLU 64 10.596 0.849 -6.971 472 1HG GLU 64 2HG GLU 64 9.984 -0.655 -8.839 473 2HG GLU 64 3HG GLU 64 8.501 0.276 -9.120 Start of MODEL 20 1 1H MET 1 H1 MET 1 8.907 0.617 8.046 2 2H MET 1 H2 MET 1 8.969 -0.087 9.544 3 3H MET 1 H3 MET 1 7.636 0.731 9.119 4 HA MET 1 HA MET 1 8.559 2.244 10.436 5 1HB MET 1 2HB MET 1 10.987 2.829 10.369 6 2HB MET 1 3HB MET 1 10.540 1.256 11.024 7 1HG MET 1 2HG MET 1 11.175 0.200 8.825 8 2HG MET 1 3HG MET 1 11.828 1.770 8.322 9 1HE MET 1 1HE MET 1 13.955 0.136 7.812 10 2HE MET 1 2HE MET 1 14.849 -0.713 9.097 11 3HE MET 1 3HE MET 1 13.222 -1.263 8.640 12 H THR 2 H THR 2 7.059 3.355 9.079 13 HA THR 2 HA THR 2 6.364 4.803 7.465 14 HB THR 2 HB THR 2 7.128 6.017 9.420 15 HG1 THR 2 1HG THR 2 5.922 7.069 8.030 16 1HG2 THR 2 1HG2 THR 2 9.544 5.857 9.334 17 2HG2 THR 2 2HG2 THR 2 9.596 6.789 7.824 18 3HG2 THR 2 3HG2 THR 2 9.012 7.546 9.306 19 H ILE 3 H ILE 3 6.912 3.189 5.775 20 HA ILE 3 HA ILE 3 9.302 3.865 4.166 21 HB ILE 3 HB ILE 3 7.245 1.663 3.784 22 1HG1 ILE 3 2HG1 ILE 3 8.285 1.356 5.986 23 2HG1 ILE 3 3HG1 ILE 3 8.755 0.110 4.839 24 1HG2 ILE 3 1HG2 ILE 3 8.518 2.157 1.786 25 2HG2 ILE 3 2HG2 ILE 3 10.046 2.099 2.671 26 3HG2 ILE 3 3HG2 ILE 3 9.079 0.618 2.460 27 1HD1 ILE 3 1HD1 ILE 3 10.642 0.878 6.250 28 2HD1 ILE 3 2HD1 ILE 3 10.958 1.116 4.530 29 3HD1 ILE 3 3HD1 ILE 3 10.513 2.500 5.550 30 H GLN 4 H GLN 4 9.165 5.158 2.430 31 HA GLN 4 HA GLN 4 6.569 5.852 1.163 32 1HB GLN 4 2HB GLN 4 9.347 7.042 1.121 33 2HB GLN 4 3HB GLN 4 8.163 7.419 -0.142 34 1HG GLN 4 2HG GLN 4 6.608 8.344 1.385 35 2HG GLN 4 3HG GLN 4 7.462 7.687 2.781 36 1HE2 GLN 4 1HE2 GLN 4 8.182 9.811 -0.075 37 2HE2 GLN 4 2HE2 GLN 4 9.082 10.989 0.870 38 H LEU 5 H LEU 5 6.014 4.196 -0.187 39 HA LEU 5 HA LEU 5 8.010 3.273 -2.244 40 1HB LEU 5 2HB LEU 5 5.269 2.135 -1.584 41 2HB LEU 5 3HB LEU 5 6.443 1.473 -2.719 42 HG LEU 5 HG LEU 5 6.714 1.631 0.311 43 1HD1 LEU 5 1HD1 LEU 5 5.233 -0.133 -0.569 44 2HD1 LEU 5 2HD1 LEU 5 6.543 -0.718 -1.618 45 3HD1 LEU 5 3HD1 LEU 5 6.708 -0.818 0.148 46 1HD2 LEU 5 1HD2 LEU 5 8.855 0.342 -0.076 47 2HD2 LEU 5 2HD2 LEU 5 8.714 0.713 -1.805 48 3HD2 LEU 5 3HD2 LEU 5 8.927 2.023 -0.620 49 H THR 6 H THR 6 6.957 2.974 -4.464 50 HA THR 6 HA THR 6 4.960 5.072 -5.038 51 HB THR 6 HB THR 6 7.793 5.149 -5.886 52 HG1 THR 6 1HG THR 6 5.613 6.961 -5.926 53 1HG2 THR 6 1HG2 THR 6 7.269 6.252 -8.061 54 2HG2 THR 6 2HG2 THR 6 7.024 4.506 -8.087 55 3HG2 THR 6 3HG2 THR 6 5.624 5.598 -7.986 56 H VAL 7 H VAL 7 3.328 4.188 -5.900 57 HA VAL 7 HA VAL 7 3.583 1.600 -7.315 58 HB VAL 7 HB VAL 7 2.256 1.330 -5.475 59 1HG1 VAL 7 1HG1 VAL 7 0.294 2.743 -4.868 60 2HG1 VAL 7 2HG1 VAL 7 1.866 3.491 -4.612 61 3HG1 VAL 7 3HG1 VAL 7 0.894 3.968 -6.012 62 1HG2 VAL 7 1HG2 VAL 7 1.279 0.430 -7.559 63 2HG2 VAL 7 2HG2 VAL 7 0.144 0.672 -6.220 64 3HG2 VAL 7 3HG2 VAL 7 0.165 1.816 -7.569 65 HA PRO 8 HA PRO 8 2.897 4.584 -10.641 66 1HB PRO 8 2HB PRO 8 3.794 3.142 -12.783 67 2HB PRO 8 3HB PRO 8 4.915 3.864 -11.586 68 1HG PRO 8 2HG PRO 8 3.890 1.013 -11.657 69 2HG PRO 8 3HG PRO 8 5.578 1.563 -11.480 70 1HD PRO 8 2HD PRO 8 4.027 0.892 -9.348 71 2HD PRO 8 3HD PRO 8 5.239 2.199 -9.255 72 H THR 9 H THR 9 1.806 1.272 -10.336 73 HA THR 9 HA THR 9 -0.307 1.570 -12.298 74 HB THR 9 HB THR 9 1.009 -0.492 -11.976 75 HG1 THR 9 1HG THR 9 -0.794 -1.827 -12.188 76 1HG2 THR 9 1HG2 THR 9 -0.042 -1.931 -10.050 77 2HG2 THR 9 2HG2 THR 9 1.340 -0.851 -9.702 78 3HG2 THR 9 3HG2 THR 9 -0.314 -0.399 -9.261 79 H ILE 10 H ILE 10 -0.189 3.185 -9.409 80 HA ILE 10 HA ILE 10 -2.495 2.625 -8.143 81 HB ILE 10 HB ILE 10 -0.828 4.952 -8.551 82 1HG1 ILE 10 2HG1 ILE 10 -2.969 4.200 -6.561 83 2HG1 ILE 10 3HG1 ILE 10 -1.280 3.730 -6.487 84 1HG2 ILE 10 1HG2 ILE 10 -2.700 5.858 -9.901 85 2HG2 ILE 10 2HG2 ILE 10 -3.775 5.663 -8.493 86 3HG2 ILE 10 3HG2 ILE 10 -2.395 6.789 -8.431 87 1HD1 ILE 10 1HD1 ILE 10 -2.346 6.574 -6.173 88 2HD1 ILE 10 2HD1 ILE 10 -1.656 5.547 -4.910 89 3HD1 ILE 10 3HD1 ILE 10 -0.624 6.122 -6.225 90 H ALA 11 H ALA 11 -4.671 3.125 -8.268 91 HA ALA 11 HA ALA 11 -6.722 3.272 -9.155 92 1HB ALA 11 1HB ALA 11 -5.965 5.465 -10.033 93 2HB ALA 11 2HB ALA 11 -5.531 4.681 -11.569 94 3HB ALA 11 3HB ALA 11 -7.210 4.685 -11.022 95 H CYS 12 H CYS 12 -4.337 1.330 -10.549 96 HA CYS 12 HA CYS 12 -5.688 0.225 -12.766 97 1HB CYS 12 2HB CYS 12 -3.367 -0.141 -12.420 98 2HB CYS 12 3HB CYS 12 -3.644 -0.813 -10.794 99 HG CYS 12 HG CYS 12 -4.732 -2.036 -13.665 100 H GLU 13 H GLU 13 -5.487 -1.066 -9.407 101 HA GLU 13 HA GLU 13 -7.519 -3.081 -10.064 102 1HB GLU 13 2HB GLU 13 -5.377 -3.569 -8.888 103 2HB GLU 13 3HB GLU 13 -5.941 -2.695 -7.472 104 1HG GLU 13 2HG GLU 13 -7.364 -5.088 -8.757 105 2HG GLU 13 3HG GLU 13 -6.222 -5.204 -7.417 106 H ALA 14 H ALA 14 -7.576 -1.715 -6.813 107 HA ALA 14 HA ALA 14 -9.818 0.138 -7.560 108 1HB ALA 14 1HB ALA 14 -10.624 -1.985 -6.586 109 2HB ALA 14 2HB ALA 14 -9.624 -1.713 -5.151 110 3HB ALA 14 3HB ALA 14 -10.954 -0.597 -5.528 111 H CYS 15 H CYS 15 -7.197 1.026 -7.478 112 HA CYS 15 HA CYS 15 -6.103 2.847 -6.812 113 1HB CYS 15 2HB CYS 15 -8.070 3.268 -4.517 114 2HB CYS 15 3HB CYS 15 -6.799 4.361 -5.060 115 HG CYS 15 HG CYS 15 -9.394 3.274 -6.738 116 H ALA 16 H ALA 16 -4.556 3.392 -5.181 117 HA ALA 16 HA ALA 16 -3.373 1.198 -3.768 118 1HB ALA 16 1HB ALA 16 -2.062 3.136 -4.370 119 2HB ALA 16 2HB ALA 16 -3.092 4.182 -3.361 120 3HB ALA 16 3HB ALA 16 -2.044 2.940 -2.609 121 H GLU 17 H GLU 17 -5.982 3.436 -2.822 122 HA GLU 17 HA GLU 17 -6.122 2.842 -0.123 123 1HB GLU 17 2HB GLU 17 -8.060 3.633 -2.206 124 2HB GLU 17 3HB GLU 17 -8.783 2.723 -0.884 125 1HG GLU 17 2HG GLU 17 -6.905 5.068 -0.365 126 2HG GLU 17 3HG GLU 17 -8.644 5.265 -0.600 127 H ALA 18 H ALA 18 -6.927 0.658 -2.880 128 HA ALA 18 HA ALA 18 -8.091 -1.462 -1.487 129 1HB ALA 18 1HB ALA 18 -7.733 -1.331 -3.961 130 2HB ALA 18 2HB ALA 18 -6.020 -1.711 -3.713 131 3HB ALA 18 3HB ALA 18 -7.262 -2.886 -3.258 132 H VAL 19 H VAL 19 -4.540 -0.883 -2.015 133 HA VAL 19 HA VAL 19 -3.874 -3.179 -0.429 134 HB VAL 19 HB VAL 19 -2.331 -2.027 -2.140 135 1HG1 VAL 19 1HG1 VAL 19 -2.086 0.212 -1.027 136 2HG1 VAL 19 2HG1 VAL 19 -1.359 -0.593 0.383 137 3HG1 VAL 19 3HG1 VAL 19 -0.564 -0.651 -1.196 138 1HG2 VAL 19 1HG2 VAL 19 -1.762 -3.406 0.480 139 2HG2 VAL 19 2HG2 VAL 19 -1.578 -3.991 -1.173 140 3HG2 VAL 19 3HG2 VAL 19 -0.402 -2.856 -0.457 141 H THR 20 H THR 20 -4.230 0.279 0.223 142 HA THR 20 HA THR 20 -3.248 0.451 2.837 143 HB THR 20 HB THR 20 -5.733 1.885 1.785 144 HG1 THR 20 1HG THR 20 -4.006 2.222 0.348 145 1HG2 THR 20 1HG2 THR 20 -5.004 3.686 3.258 146 2HG2 THR 20 2HG2 THR 20 -5.426 2.219 4.161 147 3HG2 THR 20 3HG2 THR 20 -3.717 2.624 3.871 148 H LYS 21 H LYS 21 -6.646 -0.265 1.878 149 HA LYS 21 HA LYS 21 -7.483 -0.794 4.568 150 1HB LYS 21 2HB LYS 21 -8.837 -1.615 1.970 151 2HB LYS 21 3HB LYS 21 -9.566 -1.518 3.588 152 1HG LYS 21 2HG LYS 21 -8.358 0.979 3.342 153 2HG LYS 21 3HG LYS 21 -8.804 0.650 1.684 154 1HD LYS 21 2HD LYS 21 -10.813 0.420 3.954 155 2HD LYS 21 3HD LYS 21 -10.355 1.981 3.238 156 1HE LYS 21 2HE LYS 21 -10.990 1.208 0.990 157 2HE LYS 21 3HE LYS 21 -11.507 -0.357 1.648 158 1HZ LYS 21 1HZ LYS 21 -13.160 0.826 2.936 159 2HZ LYS 21 2HZ LYS 21 -12.632 2.277 2.358 160 3HZ LYS 21 3HZ LYS 21 -13.333 1.192 1.339 161 H ALA 22 H ALA 22 -6.343 -2.886 1.922 162 HA ALA 22 HA ALA 22 -6.859 -5.384 3.162 163 1HB ALA 22 1HB ALA 22 -5.100 -6.291 1.779 164 2HB ALA 22 2HB ALA 22 -6.046 -5.119 0.828 165 3HB ALA 22 3HB ALA 22 -4.443 -4.674 1.467 166 H VAL 23 H VAL 23 -3.906 -3.374 3.296 167 HA VAL 23 HA VAL 23 -2.426 -5.030 5.048 168 HB VAL 23 HB VAL 23 -2.266 -2.075 4.360 169 1HG1 VAL 23 1HG1 VAL 23 -0.967 -2.440 6.455 170 2HG1 VAL 23 2HG1 VAL 23 -0.129 -3.811 5.682 171 3HG1 VAL 23 3HG1 VAL 23 0.104 -2.173 5.062 172 1HG2 VAL 23 1HG2 VAL 23 -1.910 -4.006 2.587 173 2HG2 VAL 23 2HG2 VAL 23 -0.739 -2.684 2.700 174 3HG2 VAL 23 3HG2 VAL 23 -0.385 -4.271 3.422 175 H GLN 24 H GLN 24 -4.555 -2.186 5.651 176 HA GLN 24 HA GLN 24 -4.289 -2.091 8.459 177 1HB GLN 24 2HB GLN 24 -6.594 -1.452 6.609 178 2HB GLN 24 3HB GLN 24 -6.645 -1.104 8.334 179 1HG GLN 24 2HG GLN 24 -4.242 -0.119 6.780 180 2HG GLN 24 3HG GLN 24 -5.778 0.691 6.543 181 1HE2 GLN 24 1HE2 GLN 24 -3.008 0.757 8.418 182 2HE2 GLN 24 2HE2 GLN 24 -3.654 1.714 9.735 183 H ASN 25 H ASN 25 -5.813 -4.709 6.587 184 HA ASN 25 HA ASN 25 -7.627 -5.559 8.650 185 1HB ASN 25 2HB ASN 25 -6.041 -7.259 6.674 186 2HB ASN 25 3HB ASN 25 -7.322 -7.840 7.727 187 1HD2 ASN 25 1HD2 ASN 25 -7.003 -7.527 4.672 188 2HD2 ASN 25 2HD2 ASN 25 -8.578 -6.874 4.224 189 H GLU 26 H GLU 26 -4.206 -6.526 7.978 190 HA GLU 26 HA GLU 26 -3.960 -7.981 10.503 191 1HB GLU 26 2HB GLU 26 -1.967 -7.053 8.395 192 2HB GLU 26 3HB GLU 26 -1.544 -8.056 9.782 193 1HG GLU 26 2HG GLU 26 -3.681 -8.946 7.792 194 2HG GLU 26 3HG GLU 26 -1.956 -9.220 7.518 195 H ASP 27 H ASP 27 -2.590 -5.021 9.033 196 HA ASP 27 HA ASP 27 -1.268 -4.360 11.533 197 1HB ASP 27 2HB ASP 27 -0.442 -4.278 8.996 198 2HB ASP 27 3HB ASP 27 -1.147 -2.669 9.011 199 H ALA 28 H ALA 28 -3.647 -4.224 12.327 200 HA ALA 28 HA ALA 28 -5.391 -2.141 11.456 201 1HB ALA 28 1HB ALA 28 -5.342 -3.698 14.081 202 2HB ALA 28 2HB ALA 28 -6.713 -2.755 13.457 203 3HB ALA 28 3HB ALA 28 -6.158 -4.196 12.582 204 H GLN 29 H GLN 29 -2.784 -2.190 13.684 205 HA GLN 29 HA GLN 29 -3.488 0.354 14.994 206 1HB GLN 29 2HB GLN 29 -1.493 -0.155 16.328 207 2HB GLN 29 3HB GLN 29 -2.719 -1.417 16.409 208 1HG GLN 29 2HG GLN 29 -1.399 -2.864 14.945 209 2HG GLN 29 3HG GLN 29 -0.250 -1.551 14.622 210 1HE2 GLN 29 1HE2 GLN 29 1.247 -3.378 15.347 211 2HE2 GLN 29 2HE2 GLN 29 1.559 -3.475 17.076 212 H ALA 30 H ALA 30 -2.137 -0.333 11.988 213 HA ALA 30 HA ALA 30 0.163 1.491 12.250 214 1HB ALA 30 1HB ALA 30 0.481 -0.473 10.976 215 2HB ALA 30 2HB ALA 30 -0.913 -0.127 9.917 216 3HB ALA 30 3HB ALA 30 0.525 0.907 9.868 217 H THR 31 H THR 31 0.533 3.140 10.613 218 HA THR 31 HA THR 31 -1.918 4.762 10.071 219 HB THR 31 HB THR 31 0.930 5.585 10.710 220 HG1 THR 31 1HG THR 31 -0.018 6.264 12.652 221 1HG2 THR 31 1HG2 THR 31 -1.587 7.264 10.255 222 2HG2 THR 31 2HG2 THR 31 -0.046 7.890 10.874 223 3HG2 THR 31 3HG2 THR 31 -0.137 7.258 9.225 224 H VAL 32 H VAL 32 -2.114 5.650 8.042 225 HA VAL 32 HA VAL 32 -0.278 4.669 5.906 226 HB VAL 32 HB VAL 32 -2.350 4.194 4.638 227 1HG1 VAL 32 1HG1 VAL 32 -2.987 2.098 5.918 228 2HG1 VAL 32 2HG1 VAL 32 -1.240 2.320 5.758 229 3HG1 VAL 32 3HG1 VAL 32 -2.051 2.685 7.288 230 1HG2 VAL 32 1HG2 VAL 32 -4.514 3.948 5.812 231 2HG2 VAL 32 2HG2 VAL 32 -3.819 4.594 7.294 232 3HG2 VAL 32 3HG2 VAL 32 -3.981 5.625 5.853 233 H GLN 33 H GLN 33 0.157 6.203 4.311 234 HA GLN 33 HA GLN 33 -1.522 8.649 4.152 235 1HB GLN 33 2HB GLN 33 1.310 8.405 5.128 236 2HB GLN 33 3HB GLN 33 0.998 9.714 3.982 237 1HG GLN 33 2HG GLN 33 -0.578 9.298 6.554 238 2HG GLN 33 3HG GLN 33 0.841 10.340 6.392 239 1HE2 GLN 33 1HE2 GLN 33 -1.039 11.850 7.239 240 2HE2 GLN 33 2HE2 GLN 33 -1.858 12.724 5.954 241 H VAL 34 H VAL 34 -2.273 8.044 2.140 242 HA VAL 34 HA VAL 34 -0.233 7.437 0.068 243 HB VAL 34 HB VAL 34 -1.709 5.602 0.534 244 1HG1 VAL 34 1HG1 VAL 34 -3.784 6.744 1.219 245 2HG1 VAL 34 2HG1 VAL 34 -4.036 7.277 -0.457 246 3HG1 VAL 34 3HG1 VAL 34 -4.043 5.554 -0.065 247 1HG2 VAL 34 1HG2 VAL 34 -2.017 5.030 -1.676 248 2HG2 VAL 34 2HG2 VAL 34 -2.415 6.682 -2.206 249 3HG2 VAL 34 3HG2 VAL 34 -0.748 6.249 -1.791 250 H ASP 35 H ASP 35 0.217 8.999 -1.329 251 HA ASP 35 HA ASP 35 -1.540 11.378 -1.237 252 1HB ASP 35 2HB ASP 35 0.976 11.441 -0.815 253 2HB ASP 35 3HB ASP 35 1.151 11.078 -2.536 254 H LEU 36 H LEU 36 -3.178 10.164 -2.436 255 HA LEU 36 HA LEU 36 -2.928 9.077 -4.998 256 1HB LEU 36 2HB LEU 36 -5.298 10.574 -3.818 257 2HB LEU 36 3HB LEU 36 -5.342 9.618 -5.299 258 HG LEU 36 HG LEU 36 -4.175 7.922 -3.315 259 1HD1 LEU 36 1HD1 LEU 36 -5.170 9.378 -1.587 260 2HD1 LEU 36 2HD1 LEU 36 -6.753 9.269 -2.384 261 3HD1 LEU 36 3HD1 LEU 36 -6.023 7.824 -1.661 262 1HD2 LEU 36 1HD2 LEU 36 -5.498 7.215 -5.278 263 2HD2 LEU 36 2HD2 LEU 36 -6.175 6.558 -3.775 264 3HD2 LEU 36 3HD2 LEU 36 -6.955 7.944 -4.565 265 H THR 37 H THR 37 -2.898 12.488 -4.149 266 HA THR 37 HA THR 37 -3.115 13.967 -6.365 267 HB THR 37 HB THR 37 -0.668 13.859 -4.568 268 HG1 THR 37 1HG THR 37 -1.896 14.249 -2.946 269 1HG2 THR 37 1HG2 THR 37 -0.637 15.692 -6.233 270 2HG2 THR 37 2HG2 THR 37 -2.231 16.238 -5.657 271 3HG2 THR 37 3HG2 THR 37 -0.822 16.302 -4.578 272 H SER 38 H SER 38 -0.623 11.402 -5.891 273 HA SER 38 HA SER 38 -0.026 11.603 -8.761 274 1HB SER 38 2HB SER 38 2.194 11.925 -6.698 275 2HB SER 38 3HB SER 38 2.402 11.739 -8.460 276 HG SER 38 HG SER 38 0.682 13.681 -8.144 277 H LYS 39 H LYS 39 2.306 9.878 -6.838 278 HA LYS 39 HA LYS 39 0.988 7.294 -7.228 279 1HB LYS 39 2HB LYS 39 2.632 6.527 -8.913 280 2HB LYS 39 3HB LYS 39 1.539 7.779 -9.492 281 1HG LYS 39 2HG LYS 39 3.481 9.450 -8.866 282 2HG LYS 39 3HG LYS 39 4.502 8.017 -8.867 283 1HD LYS 39 2HD LYS 39 2.703 8.927 -11.172 284 2HD LYS 39 3HD LYS 39 4.405 9.385 -11.001 285 1HE LYS 39 2HE LYS 39 5.059 6.963 -11.065 286 2HE LYS 39 3HE LYS 39 3.352 6.548 -11.313 287 1HZ LYS 39 1HZ LYS 39 4.584 6.595 -13.360 288 2HZ LYS 39 2HZ LYS 39 3.380 7.710 -13.371 289 3HZ LYS 39 3HZ LYS 39 4.945 8.186 -13.159 290 H LYS 40 H LYS 40 1.779 8.391 -4.871 291 HA LYS 40 HA LYS 40 4.212 6.875 -4.100 292 1HB LYS 40 2HB LYS 40 4.999 8.835 -2.858 293 2HB LYS 40 3HB LYS 40 4.842 9.195 -4.588 294 1HG LYS 40 2HG LYS 40 2.442 10.036 -3.984 295 2HG LYS 40 3HG LYS 40 2.985 9.983 -2.314 296 1HD LYS 40 2HD LYS 40 4.561 11.506 -4.422 297 2HD LYS 40 3HD LYS 40 2.979 12.087 -3.924 298 1HE LYS 40 2HE LYS 40 4.114 11.644 -1.441 299 2HE LYS 40 3HE LYS 40 5.541 12.104 -2.376 300 1HZ LYS 40 1HZ LYS 40 4.379 13.987 -1.348 301 2HZ LYS 40 2HZ LYS 40 4.307 14.126 -2.995 302 3HZ LYS 40 3HZ LYS 40 3.006 13.608 -2.165 303 H VAL 41 H VAL 41 4.111 6.027 -1.979 304 HA VAL 41 HA VAL 41 1.638 6.492 -0.448 305 HB VAL 41 HB VAL 41 1.020 4.727 -1.988 306 1HG1 VAL 41 1HG1 VAL 41 2.115 2.563 -2.072 307 2HG1 VAL 41 2HG1 VAL 41 3.281 3.816 -2.522 308 3HG1 VAL 41 3HG1 VAL 41 3.331 3.089 -0.899 309 1HG2 VAL 41 1HG2 VAL 41 0.285 3.065 -0.394 310 2HG2 VAL 41 2HG2 VAL 41 1.578 3.493 0.738 311 3HG2 VAL 41 3HG2 VAL 41 0.272 4.641 0.424 312 H THR 42 H THR 42 2.024 6.543 1.679 313 HA THR 42 HA THR 42 4.739 5.796 2.594 314 HB THR 42 HB THR 42 2.891 7.942 3.677 315 HG1 THR 42 1HG THR 42 3.583 8.465 1.639 316 1HG2 THR 42 1HG2 THR 42 5.803 7.254 4.245 317 2HG2 THR 42 2HG2 THR 42 4.983 8.729 4.794 318 3HG2 THR 42 3HG2 THR 42 4.445 7.144 5.375 319 H ILE 43 H ILE 43 4.606 3.995 3.841 320 HA ILE 43 HA ILE 43 2.105 3.467 5.435 321 HB ILE 43 HB ILE 43 4.123 1.593 4.195 322 1HG1 ILE 43 2HG1 ILE 43 2.363 2.611 2.693 323 2HG1 ILE 43 3HG1 ILE 43 2.360 0.864 2.775 324 1HG2 ILE 43 1HG2 ILE 43 3.574 0.612 6.306 325 2HG2 ILE 43 2HG2 ILE 43 1.860 1.030 6.150 326 3HG2 ILE 43 3HG2 ILE 43 2.574 -0.218 5.109 327 1HD1 ILE 43 1HD1 ILE 43 0.092 1.723 2.770 328 2HD1 ILE 43 2HD1 ILE 43 0.409 0.925 4.314 329 3HD1 ILE 43 3HD1 ILE 43 0.409 2.705 4.203 330 H THR 44 H THR 44 2.327 4.021 7.486 331 HA THR 44 HA THR 44 4.985 3.839 8.811 332 HB THR 44 HB THR 44 2.588 5.594 9.334 333 HG1 THR 44 1HG THR 44 3.861 6.194 7.604 334 1HG2 THR 44 1HG2 THR 44 5.258 5.383 10.812 335 2HG2 THR 44 2HG2 THR 44 4.058 6.674 11.035 336 3HG2 THR 44 3HG2 THR 44 3.659 5.012 11.490 337 H SER 45 H SER 45 4.820 1.667 8.970 338 HA SER 45 HA SER 45 3.483 0.820 11.472 339 1HB SER 45 2HB SER 45 3.332 -1.467 10.475 340 2HB SER 45 3HB SER 45 2.374 -0.346 9.530 341 HG SER 45 HG SER 45 3.580 -1.495 8.147 342 H ALA 46 H ALA 46 4.835 -1.306 12.051 343 HA ALA 46 HA ALA 46 7.735 -0.831 11.842 344 1HB ALA 46 1HB ALA 46 6.793 -1.855 13.871 345 2HB ALA 46 2HB ALA 46 6.135 -3.199 12.917 346 3HB ALA 46 3HB ALA 46 7.891 -2.975 13.040 347 H LEU 47 H LEU 47 5.333 -3.191 10.706 348 HA LEU 47 HA LEU 47 7.413 -4.709 9.240 349 1HB LEU 47 2HB LEU 47 5.774 -6.569 9.395 350 2HB LEU 47 3HB LEU 47 6.368 -5.925 10.914 351 HG LEU 47 HG LEU 47 4.161 -4.675 11.208 352 1HD1 LEU 47 1HD1 LEU 47 3.252 -6.532 8.994 353 2HD1 LEU 47 2HD1 LEU 47 2.221 -5.464 9.955 354 3HD1 LEU 47 3HD1 LEU 47 3.363 -4.757 8.809 355 1HD2 LEU 47 1HD2 LEU 47 4.066 -7.694 10.997 356 2HD2 LEU 47 2HD2 LEU 47 4.665 -6.750 12.381 357 3HD2 LEU 47 3HD2 LEU 47 2.956 -6.655 11.918 358 H GLY 48 H GLY 48 5.752 -2.275 8.247 359 1HA GLY 48 2HA GLY 48 3.936 -2.797 6.354 360 2HA GLY 48 3HA GLY 48 5.141 -1.504 6.196 361 H GLU 49 H GLU 49 7.461 -2.630 5.605 362 HA GLU 49 HA GLU 49 7.307 -3.039 2.905 363 1HB GLU 49 2HB GLU 49 9.272 -2.617 4.626 364 2HB GLU 49 3HB GLU 49 9.578 -4.341 4.433 365 1HG GLU 49 2HG GLU 49 9.332 -2.441 2.042 366 2HG GLU 49 3HG GLU 49 10.831 -2.611 2.953 367 H GLU 50 H GLU 50 7.878 -5.712 5.231 368 HA GLU 50 HA GLU 50 7.532 -7.905 3.496 369 1HB GLU 50 2HB GLU 50 7.045 -7.486 6.480 370 2HB GLU 50 3HB GLU 50 6.784 -9.046 5.708 371 1HG GLU 50 2HG GLU 50 9.102 -9.150 4.961 372 2HG GLU 50 3HG GLU 50 9.431 -7.541 5.634 373 H GLN 51 H GLN 51 5.097 -6.341 5.638 374 HA GLN 51 HA GLN 51 3.072 -8.180 4.989 375 1HB GLN 51 2HB GLN 51 3.377 -6.296 6.843 376 2HB GLN 51 3HB GLN 51 2.316 -5.358 5.814 377 1HG GLN 51 2HG GLN 51 1.671 -8.209 6.784 378 2HG GLN 51 3HG GLN 51 1.297 -6.769 7.721 379 1HE2 GLN 51 1HE2 GLN 51 0.667 -8.090 4.368 380 2HE2 GLN 51 2HE2 GLN 51 -0.989 -7.510 4.416 381 H LEU 52 H LEU 52 3.667 -4.929 3.697 382 HA LEU 52 HA LEU 52 1.780 -4.719 1.657 383 1HB LEU 52 2HB LEU 52 4.686 -3.827 1.831 384 2HB LEU 52 3HB LEU 52 3.613 -3.323 0.547 385 HG LEU 52 HG LEU 52 2.903 -2.814 3.447 386 1HD1 LEU 52 1HD1 LEU 52 4.397 -0.927 1.574 387 2HD1 LEU 52 2HD1 LEU 52 3.974 -0.651 3.277 388 3HD1 LEU 52 3HD1 LEU 52 5.173 -1.869 2.854 389 1HD2 LEU 52 1HD2 LEU 52 1.177 -2.614 1.543 390 2HD2 LEU 52 2HD2 LEU 52 1.404 -1.176 2.542 391 3HD2 LEU 52 3HD2 LEU 52 2.143 -1.269 0.927 392 H ARG 53 H ARG 53 5.117 -6.131 1.504 393 HA ARG 53 HA ARG 53 5.180 -6.808 -1.136 394 1HB ARG 53 2HB ARG 53 6.741 -7.422 1.063 395 2HB ARG 53 3HB ARG 53 6.077 -8.996 0.703 396 1HG ARG 53 2HG ARG 53 8.162 -8.786 -0.407 397 2HG ARG 53 3HG ARG 53 6.937 -8.694 -1.685 398 1HD ARG 53 2HD ARG 53 7.249 -6.218 -1.815 399 2HD ARG 53 3HD ARG 53 8.128 -6.239 -0.301 400 HE ARG 53 HE ARG 53 10.039 -6.642 -1.324 401 1HH1 ARG 53 2HH2 ARG 53 7.459 -7.553 -3.520 402 2HH1 ARG 53 1HH2 ARG 53 8.467 -7.805 -4.915 403 1HH2 ARG 53 2HH1 ARG 53 11.456 -7.001 -3.138 404 2HH2 ARG 53 1HH1 ARG 53 10.816 -7.484 -4.677 405 H THR 54 H THR 54 3.696 -8.838 1.439 406 HA THR 54 HA THR 54 2.590 -10.739 -0.413 407 HB THR 54 HB THR 54 1.738 -10.142 2.450 408 HG1 THR 54 1HG THR 54 3.854 -11.696 1.384 409 1HG2 THR 54 1HG2 THR 54 1.606 -12.671 0.733 410 2HG2 THR 54 2HG2 THR 54 1.208 -12.572 2.461 411 3HG2 THR 54 3HG2 THR 54 0.221 -11.700 1.276 412 H ALA 55 H ALA 55 1.112 -7.964 1.371 413 HA ALA 55 HA ALA 55 -1.550 -8.493 0.492 414 1HB ALA 55 1HB ALA 55 -0.317 -5.851 1.385 415 2HB ALA 55 2HB ALA 55 -2.054 -6.214 1.267 416 3HB ALA 55 3HB ALA 55 -1.046 -7.084 2.431 417 H ILE 56 H ILE 56 0.734 -5.998 -0.623 418 HA ILE 56 HA ILE 56 -0.510 -5.105 -2.969 419 HB ILE 56 HB ILE 56 2.464 -5.639 -2.545 420 1HG1 ILE 56 2HG1 ILE 56 0.813 -3.085 -2.214 421 2HG1 ILE 56 3HG1 ILE 56 1.482 -4.022 -0.864 422 1HG2 ILE 56 1HG2 ILE 56 2.859 -4.190 -4.336 423 2HG2 ILE 56 2HG2 ILE 56 1.654 -5.277 -4.979 424 3HG2 ILE 56 3HG2 ILE 56 1.148 -3.669 -4.403 425 1HD1 ILE 56 1HD1 ILE 56 2.887 -2.118 -1.241 426 2HD1 ILE 56 2HD1 ILE 56 3.787 -3.552 -1.796 427 3HD1 ILE 56 3HD1 ILE 56 3.025 -2.443 -2.957 428 H ALA 57 H ALA 57 1.759 -7.979 -2.686 429 HA ALA 57 HA ALA 57 1.473 -8.711 -5.390 430 1HB ALA 57 1HB ALA 57 2.250 -10.949 -4.686 431 2HB ALA 57 2HB ALA 57 3.229 -9.642 -4.005 432 3HB ALA 57 3HB ALA 57 2.036 -10.488 -2.987 433 H SER 58 H SER 58 -0.580 -9.565 -2.604 434 HA SER 58 HA SER 58 -2.179 -11.530 -3.804 435 1HB SER 58 2HB SER 58 -2.152 -10.699 -1.358 436 2HB SER 58 3HB SER 58 -3.272 -9.431 -1.890 437 HG SER 58 HG SER 58 -3.673 -12.230 -2.169 438 H ALA 59 H ALA 59 -2.526 -7.966 -3.888 439 HA ALA 59 HA ALA 59 -4.852 -8.050 -5.675 440 1HB ALA 59 1HB ALA 59 -3.051 -5.809 -4.700 441 2HB ALA 59 2HB ALA 59 -4.467 -5.575 -5.757 442 3HB ALA 59 3HB ALA 59 -4.673 -6.232 -4.122 443 H GLY 60 H GLY 60 -1.355 -7.622 -6.005 444 1HA GLY 60 2HA GLY 60 -0.032 -8.208 -7.798 445 2HA GLY 60 3HA GLY 60 -1.454 -8.381 -8.830 446 H HIS 61 H HIS 61 0.208 -5.743 -6.991 447 HA HIS 61 HA HIS 61 -0.210 -3.926 -9.306 448 1HB HIS 61 2HB HIS 61 0.586 -3.432 -6.442 449 2HB HIS 61 3HB HIS 61 0.704 -2.187 -7.668 450 HD1 HIS 61 1HD HIS 61 -1.316 -0.598 -7.562 451 HD2 HIS 61 2HD HIS 61 -2.110 -4.509 -6.265 452 HE1 HIS 61 1HE HIS 61 -3.694 -0.581 -6.681 453 H GLU 62 H GLU 62 1.465 -3.014 -10.429 454 HA GLU 62 HA GLU 62 4.017 -4.336 -10.526 455 1HB GLU 62 2HB GLU 62 3.012 -1.901 -12.070 456 2HB GLU 62 3HB GLU 62 4.269 -3.036 -12.563 457 1HG GLU 62 2HG GLU 62 1.306 -3.786 -12.291 458 2HG GLU 62 3HG GLU 62 2.073 -3.210 -13.764 459 H VAL 63 H VAL 63 4.056 -3.267 -8.128 460 HA VAL 63 HA VAL 63 5.449 -0.624 -8.227 461 HB VAL 63 HB VAL 63 3.433 -0.542 -7.088 462 1HG1 VAL 63 1HG1 VAL 63 2.843 -1.905 -5.138 463 2HG1 VAL 63 2HG1 VAL 63 2.813 -2.748 -6.672 464 3HG1 VAL 63 3HG1 VAL 63 4.196 -3.001 -5.571 465 1HG2 VAL 63 1HG2 VAL 63 5.444 0.506 -5.867 466 2HG2 VAL 63 2HG2 VAL 63 4.066 0.144 -4.818 467 3HG2 VAL 63 3HG2 VAL 63 5.469 -0.927 -4.831 468 H GLU 64 H GLU 64 7.246 -0.175 -7.083 469 HA GLU 64 HA GLU 64 8.882 -2.352 -5.891 470 1HB GLU 64 2HB GLU 64 9.568 0.416 -6.968 471 2HB GLU 64 3HB GLU 64 10.677 -0.567 -6.014 472 1HG GLU 64 2HG GLU 64 9.511 -1.738 -8.562 473 2HG GLU 64 3HG GLU 64 10.829 -0.562 -8.645
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