NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5370 | 1ha8 | 4979 | cing | recoord | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -9.545 -6.477 -2.863 2 H2 GLY 1 H2 GLY 1 -8.727 -7.738 -3.514 3 H3 GLY 1 H3 GLY 1 -9.213 -7.794 -1.924 4 1HA GLY 1 1HA GLY 1 -7.159 -6.078 -3.139 5 2HA GLY 1 2HA GLY 1 -6.906 -7.344 -1.920 6 H GLU 2 H GLU 2 -6.355 -6.255 -0.021 7 HA GLU 2 HA GLU 2 -8.486 -4.717 1.238 8 1HB GLU 2 1HB GLU 2 -7.025 -4.551 3.172 9 2HB GLU 2 2HB GLU 2 -7.324 -6.220 2.623 10 1HG GLU 2 1HG GLU 2 -5.204 -6.143 1.429 11 2HG GLU 2 2HG GLU 2 -4.776 -4.613 2.210 12 H CYS 3 H CYS 3 -5.382 -4.164 -0.277 13 HA CYS 3 HA CYS 3 -5.181 -1.408 0.645 14 1HB CYS 3 1HB CYS 3 -3.189 -2.758 0.446 15 2HB CYS 3 2HB CYS 3 -3.561 -3.177 -1.227 16 H GLU 4 H GLU 4 -5.884 -3.241 -2.361 17 HA GLU 4 HA GLU 4 -6.577 -1.078 -4.035 18 1HB GLU 4 1HB GLU 4 -7.596 -3.938 -3.886 19 2HB GLU 4 2HB GLU 4 -8.138 -2.786 -5.119 20 1HG GLU 4 1HG GLU 4 -5.854 -2.456 -5.908 21 2HG GLU 4 2HG GLU 4 -5.222 -3.521 -4.661 22 H GLN 5 H GLN 5 -8.668 -2.758 -1.594 23 HA GLN 5 HA GLN 5 -11.070 -1.367 -2.204 24 1HB GLN 5 1HB GLN 5 -10.904 -3.320 -0.676 25 2HB GLN 5 2HB GLN 5 -10.045 -2.337 0.498 26 1HG GLN 5 1HG GLN 5 -12.074 -2.172 1.437 27 2HG GLN 5 2HG GLN 5 -12.322 -0.851 0.312 28 1HE2 GLN 5 2HE2 GLN 5 -13.669 -1.344 -1.700 29 2HE2 GLN 5 1HE2 GLN 5 -14.754 -2.692 -1.635 30 H CYS 6 H CYS 6 -8.424 -0.551 0.051 31 HA CYS 6 HA CYS 6 -9.534 1.867 1.058 32 1HB CYS 6 1HB CYS 6 -7.426 0.330 1.718 33 2HB CYS 6 2HB CYS 6 -6.588 1.480 0.714 34 H PHE 7 H PHE 7 -7.422 1.190 -1.745 35 HA PHE 7 HA PHE 7 -7.048 3.863 -2.575 36 1HB PHE 7 1HB PHE 7 -6.349 1.253 -3.524 37 2HB PHE 7 2HB PHE 7 -7.178 2.043 -4.843 38 HD1 PHE 7 HD1 PHE 7 -6.141 3.839 -6.075 39 HD2 PHE 7 HD2 PHE 7 -4.386 2.417 -2.390 40 HE1 PHE 7 HE1 PHE 7 -4.055 5.113 -6.564 41 HE2 PHE 7 HE2 PHE 7 -2.380 3.828 -2.829 42 HZ PHE 7 HZ PHE 7 -2.186 5.095 -4.935 43 H SER 8 H SER 8 -9.586 1.472 -3.545 44 HA SER 8 HA SER 8 -10.928 3.243 -5.326 45 1HB SER 8 1HB SER 8 -11.866 0.796 -3.751 46 2HB SER 8 2HB SER 8 -12.889 1.689 -4.910 47 HG SER 8 HG SER 8 -11.911 0.154 -6.132 48 H ASP 9 H ASP 9 -11.152 2.848 -1.786 49 HA ASP 9 HA ASP 9 -13.289 4.814 -1.473 50 1HB ASP 9 1HB ASP 9 -12.622 2.761 -0.011 51 2HB ASP 9 2HB ASP 9 -11.397 3.813 0.682 52 H GLY 10 H GLY 10 -10.999 5.731 -2.964 53 1HA GLY 10 1HA GLY 10 -10.901 8.371 -1.928 54 2HA GLY 10 2HA GLY 10 -10.073 7.768 -3.363 55 H GLY 11 H GLY 11 -8.919 5.751 -0.937 56 1HA GLY 11 1HA GLY 11 -7.204 5.859 0.553 57 2HA GLY 11 2HA GLY 11 -7.292 7.635 0.490 58 H ASP 12 H ASP 12 -5.070 8.030 0.320 59 HA ASP 12 HA ASP 12 -3.696 7.108 -2.194 60 1HB ASP 12 1HB ASP 12 -3.308 9.435 -0.338 61 2HB ASP 12 2HB ASP 12 -1.993 8.912 -1.384 62 H CYS 13 H CYS 13 -1.960 8.280 0.626 63 HA CYS 13 HA CYS 13 -0.760 5.580 0.961 64 1HB CYS 13 1HB CYS 13 0.612 8.288 1.061 65 2HB CYS 13 2HB CYS 13 1.371 6.700 1.198 66 H THR 14 H THR 14 -0.839 8.797 2.632 67 HA THR 14 HA THR 14 -0.358 7.712 5.224 68 HB THR 14 HB THR 14 -1.835 10.264 4.432 69 HG1 THR 14 HG1 THR 14 0.794 9.533 4.119 70 1HG2 THR 14 1HG2 THR 14 -1.939 9.781 6.850 71 2HG2 THR 14 2HG2 THR 14 -0.185 9.631 6.909 72 3HG2 THR 14 3HG2 THR 14 -0.934 11.197 6.518 73 H THR 15 H THR 15 -3.386 8.711 3.580 74 HA THR 15 HA THR 15 -5.042 7.923 5.791 75 HB THR 15 HB THR 15 -5.244 9.878 4.254 76 HG1 THR 15 HG1 THR 15 -7.196 8.536 5.264 77 1HG2 THR 15 1HG2 THR 15 -6.052 7.902 2.158 78 2HG2 THR 15 2HG2 THR 15 -6.347 9.652 2.068 79 3HG2 THR 15 3HG2 THR 15 -4.687 9.039 2.114 80 H CYS 16 H CYS 16 -3.521 5.744 4.769 81 HA CYS 16 HA CYS 16 -5.557 3.671 4.710 82 1HB CYS 16 1HB CYS 16 -3.731 4.151 2.346 83 2HB CYS 16 2HB CYS 16 -4.292 2.529 2.731 84 H PHE 17 H PHE 17 -1.982 4.425 4.430 85 HA PHE 17 HA PHE 17 -1.056 2.256 5.832 86 1HB PHE 17 1HB PHE 17 0.370 3.974 4.755 87 2HB PHE 17 2HB PHE 17 -0.016 5.115 6.045 88 HD1 PHE 17 HD1 PHE 17 1.132 1.621 5.624 89 HD2 PHE 17 HD2 PHE 17 1.648 5.236 7.856 90 HE1 PHE 17 HE1 PHE 17 3.027 0.562 6.883 91 HE2 PHE 17 HE2 PHE 17 3.492 4.179 9.127 92 HZ PHE 17 HZ PHE 17 4.209 1.869 8.611 93 H ASN 18 H ASN 18 -2.310 5.287 7.299 94 HA ASN 18 HA ASN 18 -3.127 5.724 9.390 95 1HB ASN 18 1HB ASN 18 -4.475 3.648 8.490 96 2HB ASN 18 2HB ASN 18 -3.534 2.768 9.706 97 1HD2 ASN 18 2HD2 ASN 18 -3.931 3.452 12.009 98 2HD2 ASN 18 1HD2 ASN 18 -5.499 4.181 12.406 99 H ASN 19 H ASN 19 -0.347 5.314 9.231 100 HA ASN 19 HA ASN 19 1.459 4.613 10.146 101 1HB ASN 19 1HB ASN 19 0.846 6.461 11.659 102 2HB ASN 19 2HB ASN 19 0.370 5.244 12.865 103 1HD2 ASN 19 2HD2 ASN 19 2.181 6.356 14.182 104 2HD2 ASN 19 1HD2 ASN 19 3.811 5.815 13.827 105 H GLY 20 H GLY 20 0.788 2.497 9.312 106 1HA GLY 20 1HA GLY 20 2.239 0.810 11.101 107 2HA GLY 20 2HA GLY 20 1.869 0.516 9.421 108 H THR 21 H THR 21 -1.092 1.051 10.659 109 HA THR 21 HA THR 21 -1.607 -1.816 11.279 110 HB THR 21 HB THR 21 -1.775 -0.102 13.119 111 HG1 THR 21 HG1 THR 21 -2.533 -2.050 13.489 112 1HG2 THR 21 1HG2 THR 21 -3.029 1.511 11.743 113 2HG2 THR 21 2HG2 THR 21 -4.399 0.375 11.710 114 3HG2 THR 21 3HG2 THR 21 -3.869 1.081 13.262 115 H GLY 22 H GLY 22 -1.956 0.451 8.851 116 1HA GLY 22 1HA GLY 22 -3.280 0.755 7.120 117 2HA GLY 22 2HA GLY 22 -4.640 0.072 8.030 118 HA PRO 23 HA PRO 23 -4.520 -3.289 5.188 119 1HB PRO 23 1HB PRO 23 -5.320 -2.354 2.728 120 2HB PRO 23 2HB PRO 23 -6.398 -2.490 4.145 121 1HG PRO 23 1HG PRO 23 -5.077 -0.038 3.000 122 2HG PRO 23 2HG PRO 23 -6.688 -0.216 3.752 123 1HD PRO 23 1HD PRO 23 -4.422 0.761 4.991 124 2HD PRO 23 2HD PRO 23 -5.848 0.130 5.848 125 H CYS 24 H CYS 24 -3.202 -0.658 3.075 126 HA CYS 24 HA CYS 24 -0.821 -2.270 2.414 127 1HB CYS 24 1HB CYS 24 -1.972 0.309 1.432 128 2HB CYS 24 2HB CYS 24 -0.229 0.271 1.606 129 H ALA 25 H ALA 25 -0.473 -2.611 4.730 130 HA ALA 25 HA ALA 25 1.263 -0.408 5.769 131 1HB ALA 25 1HB ALA 25 0.831 -1.197 8.047 132 2HB ALA 25 2HB ALA 25 -0.335 -2.379 7.414 133 3HB ALA 25 3HB ALA 25 -0.641 -0.633 7.237 134 H ASN 26 H ASN 26 0.876 -4.022 5.871 135 HA ASN 26 HA ASN 26 3.675 -4.346 6.416 136 1HB ASN 26 1HB ASN 26 3.413 -6.647 5.945 137 2HB ASN 26 2HB ASN 26 1.889 -6.151 6.679 138 1HD2 ASN 26 2HD2 ASN 26 3.337 -7.639 3.865 139 2HD2 ASN 26 1HD2 ASN 26 1.875 -7.647 2.901 140 H CYS 27 H CYS 27 1.862 -3.781 3.416 141 HA CYS 27 HA CYS 27 3.921 -4.348 1.567 142 1HB CYS 27 1HB CYS 27 1.959 -2.044 1.183 143 2HB CYS 27 2HB CYS 27 2.775 -2.987 0.003 144 H LEU 28 H LEU 28 4.424 -2.221 4.097 145 HA LEU 28 HA LEU 28 5.754 -0.153 2.404 146 1HB LEU 28 1HB LEU 28 4.669 -0.026 5.251 147 2HB LEU 28 2HB LEU 28 5.620 1.204 4.514 148 HG LEU 28 HG LEU 28 2.861 0.982 4.499 149 1HD1 LEU 28 1HD1 LEU 28 4.177 3.004 4.432 150 2HD1 LEU 28 2HD1 LEU 28 4.659 2.659 2.746 151 3HD1 LEU 28 3HD1 LEU 28 2.956 3.039 3.147 152 1HD2 LEU 28 1HD2 LEU 28 3.662 0.480 1.639 153 2HD2 LEU 28 2HD2 LEU 28 2.637 -0.539 2.703 154 3HD2 LEU 28 3HD2 LEU 28 2.069 1.025 2.248 155 H ALA 29 H ALA 29 6.107 -1.768 5.576 156 HA ALA 29 HA ALA 29 8.912 -1.037 5.793 157 1HB ALA 29 1HB ALA 29 8.811 -2.517 7.794 158 2HB ALA 29 2HB ALA 29 7.132 -2.929 7.393 159 3HB ALA 29 3HB ALA 29 7.574 -1.257 7.806 160 H GLY 30 H GLY 30 7.434 -4.309 5.873 161 1HA GLY 30 1HA GLY 30 8.334 -6.292 5.226 162 2HA GLY 30 2HA GLY 30 9.795 -5.484 4.605 163 H TYR 31 H TYR 31 9.266 -4.028 2.546 164 HA TYR 31 HA TYR 31 7.127 -5.357 0.922 165 1HB TYR 31 1HB TYR 31 6.543 -3.282 0.243 166 2HB TYR 31 2HB TYR 31 7.038 -2.928 1.872 167 HD1 TYR 31 HD1 TYR 31 6.584 -1.153 -0.430 168 HD2 TYR 31 HD2 TYR 31 10.181 -3.039 0.877 169 HE1 TYR 31 HE1 TYR 31 7.830 0.477 -1.767 170 HE2 TYR 31 HE2 TYR 31 11.518 -1.259 -0.260 171 HH TYR 31 HH TYR 31 11.426 0.833 -1.472 172 HA PRO 32 HA PRO 32 11.159 -5.536 -1.416 173 1HB PRO 32 1HB PRO 32 11.996 -8.156 -1.259 174 2HB PRO 32 2HB PRO 32 12.432 -6.904 -0.060 175 1HG PRO 32 1HG PRO 32 10.265 -9.008 0.152 176 2HG PRO 32 2HG PRO 32 11.422 -8.427 1.403 177 1HD PRO 32 1HD PRO 32 8.815 -7.510 1.215 178 2HD PRO 32 2HD PRO 32 10.179 -6.575 1.881 179 H ALA 33 H ALA 33 8.582 -7.879 -1.065 180 HA ALA 33 HA ALA 33 8.460 -8.646 -3.913 181 1HB ALA 33 1HB ALA 33 6.882 -10.327 -3.103 182 2HB ALA 33 2HB ALA 33 8.331 -10.356 -2.084 183 3HB ALA 33 3HB ALA 33 6.853 -9.561 -1.496 184 H GLY 34 H GLY 34 7.362 -5.982 -2.240 185 1HA GLY 34 1HA GLY 34 5.392 -4.755 -2.160 186 2HA GLY 34 2HA GLY 34 4.524 -6.225 -2.535 187 H CYS 35 H CYS 35 7.007 -4.988 -4.717 188 HA CYS 35 HA CYS 35 5.192 -3.648 -6.521 189 1HB CYS 35 1HB CYS 35 8.040 -4.615 -6.965 190 2HB CYS 35 2HB CYS 35 7.220 -3.322 -7.832 191 H SER 36 H SER 36 6.814 -6.878 -6.431 192 HA SER 36 HA SER 36 5.810 -7.780 -8.970 193 1HB SER 36 1HB SER 36 6.895 -9.842 -8.246 194 2HB SER 36 2HB SER 36 7.882 -8.409 -7.871 195 HG SER 36 HG SER 36 7.902 -9.809 -6.118 196 H ASN 37 H ASN 37 4.423 -7.223 -6.126 197 HA ASN 37 HA ASN 37 2.428 -9.355 -5.941 198 1HB ASN 37 1HB ASN 37 3.268 -7.510 -4.064 199 2HB ASN 37 2HB ASN 37 1.957 -6.599 -4.751 200 1HD2 ASN 37 2HD2 ASN 37 0.957 -6.808 -2.516 201 2HD2 ASN 37 1HD2 ASN 37 0.055 -8.262 -2.206 202 H SER 38 H SER 38 -0.120 -8.212 -5.794 203 HA SER 38 HA SER 38 -0.203 -6.120 -7.902 204 1HB SER 38 1HB SER 38 -1.930 -8.502 -7.705 205 2HB SER 38 2HB SER 38 -2.691 -6.956 -8.142 206 HG SER 38 HG SER 38 -1.399 -8.524 -9.779 207 H ASP 39 H ASP 39 -1.926 -7.436 -4.954 208 HA ASP 39 HA ASP 39 -3.677 -5.278 -4.704 209 1HB ASP 39 1HB ASP 39 -3.814 -7.463 -3.526 210 2HB ASP 39 2HB ASP 39 -2.494 -6.965 -2.469 211 H CYS 40 H CYS 40 -0.375 -5.498 -3.652 212 HA CYS 40 HA CYS 40 -0.392 -3.033 -1.991 213 1HB CYS 40 1HB CYS 40 1.874 -4.830 -3.031 214 2HB CYS 40 2HB CYS 40 2.096 -3.442 -2.002 215 H THR 41 H THR 41 0.306 -4.128 -5.270 216 HA THR 41 HA THR 41 2.539 -2.647 -5.716 217 HB THR 41 HB THR 41 0.424 -3.784 -7.536 218 HG1 THR 41 HG1 THR 41 2.107 -5.514 -7.439 219 1HG2 THR 41 1HG2 THR 41 3.293 -3.274 -8.266 220 2HG2 THR 41 2HG2 THR 41 2.044 -4.230 -9.145 221 3HG2 THR 41 3HG2 THR 41 1.859 -2.471 -8.950 222 H ALA 42 H ALA 42 -0.853 -1.746 -6.579 223 HA ALA 42 HA ALA 42 0.096 0.412 -8.291 224 1HB ALA 42 1HB ALA 42 -2.177 -0.613 -8.539 225 2HB ALA 42 2HB ALA 42 -2.667 0.209 -7.031 226 3HB ALA 42 3HB ALA 42 -2.174 1.158 -8.440 227 H PHE 43 H PHE 43 -1.092 0.211 -4.970 228 HA PHE 43 HA PHE 43 -0.793 2.894 -4.138 229 1HB PHE 43 1HB PHE 43 -1.853 1.138 -2.753 230 2HB PHE 43 2HB PHE 43 -0.344 0.270 -2.685 231 HD1 PHE 43 HD1 PHE 43 -2.326 2.603 -0.836 232 HD2 PHE 43 HD2 PHE 43 1.643 1.251 -1.618 233 HE1 PHE 43 HE1 PHE 43 -1.587 3.493 1.348 234 HE2 PHE 43 HE2 PHE 43 2.465 2.332 0.453 235 HZ PHE 43 HZ PHE 43 0.863 3.367 1.982 236 H LEU 44 H LEU 44 1.743 0.219 -3.917 237 HA LEU 44 HA LEU 44 3.659 2.068 -3.134 238 1HB LEU 44 1HB LEU 44 4.200 -0.529 -4.640 239 2HB LEU 44 2HB LEU 44 5.322 0.391 -3.692 240 HG LEU 44 HG LEU 44 2.837 -0.971 -2.602 241 1HD1 LEU 44 1HD1 LEU 44 5.756 -1.756 -2.498 242 2HD1 LEU 44 2HD1 LEU 44 4.451 -2.541 -1.572 243 3HD1 LEU 44 3HD1 LEU 44 4.430 -2.577 -3.342 244 1HD2 LEU 44 1HD2 LEU 44 3.649 1.106 -1.263 245 2HD2 LEU 44 2HD2 LEU 44 3.351 -0.404 -0.450 246 3HD2 LEU 44 3HD2 LEU 44 5.007 0.084 -0.861 247 H SER 45 H SER 45 2.774 1.167 -6.408 248 HA SER 45 HA SER 45 4.783 2.404 -7.931 249 1HB SER 45 1HB SER 45 2.715 0.948 -8.586 250 2HB SER 45 2HB SER 45 1.898 2.495 -8.755 251 HG SER 45 HG SER 45 3.974 1.312 -10.212 252 H GLN 46 H GLN 46 1.841 3.872 -6.476 253 HA GLN 46 HA GLN 46 2.740 6.596 -7.052 254 1HB GLN 46 1HB GLN 46 0.576 5.465 -5.234 255 2HB GLN 46 2HB GLN 46 1.033 7.166 -5.272 256 1HG GLN 46 1HG GLN 46 -0.791 7.080 -6.700 257 2HG GLN 46 2HG GLN 46 0.581 7.147 -7.788 258 1HE2 GLN 46 2HE2 GLN 46 1.131 5.075 -9.050 259 2HE2 GLN 46 1HE2 GLN 46 -0.099 3.822 -9.079 260 H CYS 47 H CYS 47 2.321 5.065 -3.865 261 HA CYS 47 HA CYS 47 3.568 7.045 -2.500 262 1HB CYS 47 1HB CYS 47 3.362 4.170 -1.514 263 2HB CYS 47 2HB CYS 47 3.392 5.634 -0.549 264 H TYR 48 H TYR 48 5.342 4.504 -4.037 265 HA TYR 48 HA TYR 48 7.874 5.324 -2.648 266 1HB TYR 48 1HB TYR 48 6.909 2.557 -3.415 267 2HB TYR 48 2HB TYR 48 8.591 2.940 -3.173 268 HD1 TYR 48 HD1 TYR 48 5.436 2.348 -1.523 269 HD2 TYR 48 HD2 TYR 48 9.520 3.498 -1.027 270 HE1 TYR 48 HE1 TYR 48 5.385 1.519 0.821 271 HE2 TYR 48 HE2 TYR 48 9.421 2.951 1.397 272 HH TYR 48 HH TYR 48 7.738 1.065 2.754 273 H GLY 49 H GLY 49 6.191 4.651 -5.649 274 1HA GLY 49 1HA GLY 49 8.735 4.754 -7.185 275 2HA GLY 49 2HA GLY 49 7.183 5.365 -7.788 276 H GLY 50 H GLY 50 7.076 2.471 -5.879 277 1HA GLY 50 1HA GLY 50 6.181 0.830 -8.114 278 2HA GLY 50 2HA GLY 50 6.412 0.317 -6.429 279 H CYS 51 H CYS 51 8.832 0.501 -5.731 280 HA CYS 51 HA CYS 51 11.007 -0.009 -5.932 281 1HB CYS 51 1HB CYS 51 9.990 -2.039 -7.958 282 2HB CYS 51 2HB CYS 51 11.572 -2.038 -7.226 No H/Q in entry = 282 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -9.242 -7.206 -2.458 2 H2 GLY 1 H2 GLY 1 -8.046 -8.315 -2.666 3 H3 GLY 1 H3 GLY 1 -8.751 -8.146 -1.186 4 1HA GLY 1 1HA GLY 1 -7.107 -6.175 -2.597 5 2HA GLY 1 2HA GLY 1 -6.594 -7.148 -1.216 6 H GLU 2 H GLU 2 -6.974 -6.341 0.825 7 HA GLU 2 HA GLU 2 -8.964 -4.368 1.456 8 1HB GLU 2 1HB GLU 2 -7.658 -3.953 3.488 9 2HB GLU 2 2HB GLU 2 -8.166 -5.639 3.253 10 1HG GLU 2 1HG GLU 2 -5.884 -6.009 2.260 11 2HG GLU 2 2HG GLU 2 -5.389 -4.453 2.918 12 H CYS 3 H CYS 3 -5.599 -4.312 0.369 13 HA CYS 3 HA CYS 3 -5.200 -1.530 0.714 14 1HB CYS 3 1HB CYS 3 -3.386 -3.170 0.498 15 2HB CYS 3 2HB CYS 3 -3.879 -3.539 -1.163 16 H GLU 4 H GLU 4 -6.424 -3.440 -2.058 17 HA GLU 4 HA GLU 4 -6.599 -1.159 -3.841 18 1HB GLU 4 1HB GLU 4 -7.882 -3.941 -3.977 19 2HB GLU 4 2HB GLU 4 -7.927 -2.710 -5.248 20 1HG GLU 4 1HG GLU 4 -5.315 -2.735 -5.087 21 2HG GLU 4 2HG GLU 4 -5.533 -4.265 -4.222 22 H GLN 5 H GLN 5 -8.863 -2.786 -1.584 23 HA GLN 5 HA GLN 5 -11.207 -1.322 -2.262 24 1HB GLN 5 1HB GLN 5 -11.016 -3.391 -0.757 25 2HB GLN 5 2HB GLN 5 -10.371 -2.330 0.495 26 1HG GLN 5 1HG GLN 5 -12.639 -2.544 1.028 27 2HG GLN 5 2HG GLN 5 -12.549 -0.960 0.273 28 1HE2 GLN 5 2HE2 GLN 5 -14.223 -0.591 -1.266 29 2HE2 GLN 5 1HE2 GLN 5 -15.026 -1.893 -2.099 30 H CYS 6 H CYS 6 -8.626 -0.669 0.162 31 HA CYS 6 HA CYS 6 -9.630 1.793 1.073 32 1HB CYS 6 1HB CYS 6 -7.766 0.440 2.033 33 2HB CYS 6 2HB CYS 6 -6.703 1.020 0.759 34 H PHE 7 H PHE 7 -7.465 1.119 -1.697 35 HA PHE 7 HA PHE 7 -7.140 3.811 -2.571 36 1HB PHE 7 1HB PHE 7 -6.628 1.148 -3.620 37 2HB PHE 7 2HB PHE 7 -7.315 2.160 -4.863 38 HD1 PHE 7 HD1 PHE 7 -4.846 2.760 -2.024 39 HD2 PHE 7 HD2 PHE 7 -5.751 3.163 -6.233 40 HE1 PHE 7 HE1 PHE 7 -2.747 3.957 -2.375 41 HE2 PHE 7 HE2 PHE 7 -3.628 4.386 -6.566 42 HZ PHE 7 HZ PHE 7 -2.131 4.821 -4.616 43 H SER 8 H SER 8 -9.689 1.435 -3.298 44 HA SER 8 HA SER 8 -11.166 3.116 -5.065 45 1HB SER 8 1HB SER 8 -12.203 0.803 -3.371 46 2HB SER 8 2HB SER 8 -12.904 1.475 -4.846 47 HG SER 8 HG SER 8 -10.436 0.092 -4.612 48 H ASP 9 H ASP 9 -10.821 3.317 -1.621 49 HA ASP 9 HA ASP 9 -13.209 5.071 -1.445 50 1HB ASP 9 1HB ASP 9 -13.032 3.090 0.123 51 2HB ASP 9 2HB ASP 9 -11.666 3.900 0.875 52 H GLY 10 H GLY 10 -10.888 5.759 -2.845 53 1HA GLY 10 1HA GLY 10 -10.518 8.445 -1.948 54 2HA GLY 10 2HA GLY 10 -9.711 7.636 -3.291 55 H GLY 11 H GLY 11 -8.298 5.685 -2.321 56 1HA GLY 11 1HA GLY 11 -6.572 5.028 -0.825 57 2HA GLY 11 2HA GLY 11 -6.592 6.620 -0.080 58 H ASP 12 H ASP 12 -4.447 7.200 -0.375 59 HA ASP 12 HA ASP 12 -3.293 7.138 -3.107 60 1HB ASP 12 1HB ASP 12 -1.807 9.087 -2.065 61 2HB ASP 12 2HB ASP 12 -3.378 9.489 -2.717 62 H CYS 13 H CYS 13 -2.267 7.589 0.239 63 HA CYS 13 HA CYS 13 -0.619 5.225 0.405 64 1HB CYS 13 1HB CYS 13 0.880 6.547 -0.931 65 2HB CYS 13 2HB CYS 13 0.511 7.997 -0.045 66 H THR 14 H THR 14 -0.668 8.563 1.754 67 HA THR 14 HA THR 14 -0.365 7.528 4.422 68 HB THR 14 HB THR 14 -1.124 10.320 3.458 69 HG1 THR 14 HG1 THR 14 0.869 9.605 2.714 70 1HG2 THR 14 1HG2 THR 14 -0.104 9.348 6.165 71 2HG2 THR 14 2HG2 THR 14 -0.150 11.046 5.655 72 3HG2 THR 14 3HG2 THR 14 -1.659 10.111 5.840 73 H THR 15 H THR 15 -3.257 8.639 2.543 74 HA THR 15 HA THR 15 -4.935 8.295 4.890 75 HB THR 15 HB THR 15 -5.049 9.952 2.930 76 HG1 THR 15 HG1 THR 15 -7.050 8.892 4.415 77 1HG2 THR 15 1HG2 THR 15 -5.126 8.431 1.038 78 2HG2 THR 15 2HG2 THR 15 -6.756 7.917 1.551 79 3HG2 THR 15 3HG2 THR 15 -6.437 9.589 1.086 80 H CYS 16 H CYS 16 -3.370 5.963 4.171 81 HA CYS 16 HA CYS 16 -5.483 3.945 4.474 82 1HB CYS 16 1HB CYS 16 -3.331 3.771 2.351 83 2HB CYS 16 2HB CYS 16 -4.127 2.354 3.008 84 H PHE 17 H PHE 17 -1.882 4.568 4.205 85 HA PHE 17 HA PHE 17 -1.016 2.356 5.499 86 1HB PHE 17 1HB PHE 17 0.501 4.003 4.451 87 2HB PHE 17 2HB PHE 17 0.182 5.153 5.746 88 HD1 PHE 17 HD1 PHE 17 2.098 5.358 7.243 89 HD2 PHE 17 HD2 PHE 17 1.003 1.504 5.660 90 HE1 PHE 17 HE1 PHE 17 3.975 4.305 8.452 91 HE2 PHE 17 HE2 PHE 17 2.824 0.424 7.003 92 HZ PHE 17 HZ PHE 17 4.321 1.824 8.347 93 H ASN 18 H ASN 18 -2.140 5.303 7.116 94 HA ASN 18 HA ASN 18 -2.866 5.716 9.162 95 1HB ASN 18 1HB ASN 18 -4.082 3.509 8.643 96 2HB ASN 18 2HB ASN 18 -3.002 2.780 9.780 97 1HD2 ASN 18 2HD2 ASN 18 -5.626 4.709 9.305 98 2HD2 ASN 18 1HD2 ASN 18 -6.159 5.041 10.964 99 H ASN 19 H ASN 19 0.072 4.229 8.778 100 HA ASN 19 HA ASN 19 2.059 4.396 9.880 101 1HB ASN 19 1HB ASN 19 1.263 6.293 11.146 102 2HB ASN 19 2HB ASN 19 0.702 5.201 12.436 103 1HD2 ASN 19 2HD2 ASN 19 2.827 7.384 12.305 104 2HD2 ASN 19 1HD2 ASN 19 4.103 6.583 13.208 105 H GLY 20 H GLY 20 1.084 2.210 9.092 106 1HA GLY 20 1HA GLY 20 2.540 0.526 10.876 107 2HA GLY 20 2HA GLY 20 2.003 0.153 9.275 108 H THR 21 H THR 21 -0.868 0.990 10.691 109 HA THR 21 HA THR 21 -1.472 -1.886 11.130 110 HB THR 21 HB THR 21 -1.633 0.205 12.941 111 HG1 THR 21 HG1 THR 21 -2.297 -1.256 14.270 112 1HG2 THR 21 1HG2 THR 21 -3.816 0.893 11.795 113 2HG2 THR 21 2HG2 THR 21 -4.472 -0.654 12.353 114 3HG2 THR 21 3HG2 THR 21 -3.889 0.541 13.506 115 H GLY 22 H GLY 22 -1.855 0.575 8.900 116 1HA GLY 22 1HA GLY 22 -3.260 1.030 7.220 117 2HA GLY 22 2HA GLY 22 -4.599 0.419 8.209 118 HA PRO 23 HA PRO 23 -5.132 -2.891 5.476 119 1HB PRO 23 1HB PRO 23 -6.083 -1.967 3.081 120 2HB PRO 23 2HB PRO 23 -7.000 -1.881 4.632 121 1HG PRO 23 1HG PRO 23 -5.435 0.294 3.234 122 2HG PRO 23 2HG PRO 23 -7.010 0.403 4.105 123 1HD PRO 23 1HD PRO 23 -4.527 1.073 5.148 124 2HD PRO 23 2HD PRO 23 -5.961 0.655 6.153 125 H CYS 24 H CYS 24 -3.482 -0.422 3.432 126 HA CYS 24 HA CYS 24 -1.439 -2.439 2.649 127 1HB CYS 24 1HB CYS 24 -2.359 0.028 1.359 128 2HB CYS 24 2HB CYS 24 -0.648 0.082 1.720 129 H ALA 25 H ALA 25 -0.726 -2.762 4.797 130 HA ALA 25 HA ALA 25 1.037 -0.557 5.706 131 1HB ALA 25 1HB ALA 25 -0.447 -2.526 7.463 132 2HB ALA 25 2HB ALA 25 -0.677 -0.765 7.365 133 3HB ALA 25 3HB ALA 25 0.832 -1.423 8.002 134 H ASN 26 H ASN 26 0.571 -4.137 5.836 135 HA ASN 26 HA ASN 26 3.350 -4.476 6.352 136 1HB ASN 26 1HB ASN 26 1.631 -6.629 5.035 137 2HB ASN 26 2HB ASN 26 3.038 -6.840 6.083 138 1HD2 ASN 26 2HD2 ASN 26 0.243 -8.036 6.417 139 2HD2 ASN 26 1HD2 ASN 26 -0.274 -7.436 7.946 140 H CYS 27 H CYS 27 1.734 -3.868 3.370 141 HA CYS 27 HA CYS 27 3.751 -4.835 1.540 142 1HB CYS 27 1HB CYS 27 1.950 -2.435 1.060 143 2HB CYS 27 2HB CYS 27 2.785 -3.406 -0.087 144 H LEU 28 H LEU 28 4.313 -2.655 4.033 145 HA LEU 28 HA LEU 28 5.722 -0.652 2.341 146 1HB LEU 28 1HB LEU 28 4.702 -0.458 5.224 147 2HB LEU 28 2HB LEU 28 5.562 0.763 4.396 148 HG LEU 28 HG LEU 28 2.846 0.521 4.595 149 1HD1 LEU 28 1HD1 LEU 28 4.097 2.575 4.254 150 2HD1 LEU 28 2HD1 LEU 28 4.366 2.162 2.556 151 3HD1 LEU 28 3HD1 LEU 28 2.729 2.489 3.163 152 1HD2 LEU 28 1HD2 LEU 28 2.520 -1.144 2.920 153 2HD2 LEU 28 2HD2 LEU 28 1.836 0.371 2.444 154 3HD2 LEU 28 3HD2 LEU 28 3.393 -0.130 1.712 155 H ALA 29 H ALA 29 6.072 -1.917 5.619 156 HA ALA 29 HA ALA 29 8.592 -1.000 6.138 157 1HB ALA 29 1HB ALA 29 8.597 -2.774 7.935 158 2HB ALA 29 2HB ALA 29 7.148 -3.476 7.166 159 3HB ALA 29 3HB ALA 29 7.081 -1.844 7.836 160 H GLY 30 H GLY 30 7.943 -4.442 5.311 161 1HA GLY 30 1HA GLY 30 9.854 -5.943 4.833 162 2HA GLY 30 2HA GLY 30 10.639 -4.579 4.007 163 H TYR 31 H TYR 31 9.750 -3.763 2.031 164 HA TYR 31 HA TYR 31 7.680 -5.550 0.775 165 1HB TYR 31 1HB TYR 31 6.730 -3.651 0.044 166 2HB TYR 31 2HB TYR 31 7.284 -3.114 1.593 167 HD1 TYR 31 HD1 TYR 31 10.331 -2.836 0.333 168 HD2 TYR 31 HD2 TYR 31 6.405 -1.505 -0.663 169 HE1 TYR 31 HE1 TYR 31 11.319 -0.907 -0.869 170 HE2 TYR 31 HE2 TYR 31 7.335 0.474 -1.864 171 HH TYR 31 HH TYR 31 10.755 1.243 -1.791 172 HA PRO 32 HA PRO 32 11.293 -5.147 -2.158 173 1HB PRO 32 1HB PRO 32 12.778 -7.466 -1.931 174 2HB PRO 32 2HB PRO 32 13.020 -6.037 -0.886 175 1HG PRO 32 1HG PRO 32 11.368 -8.516 -0.284 176 2HG PRO 32 2HG PRO 32 12.603 -7.713 0.754 177 1HD PRO 32 1HD PRO 32 9.929 -7.222 1.056 178 2HD PRO 32 2HD PRO 32 11.174 -5.956 1.280 179 H ALA 33 H ALA 33 8.882 -7.383 -1.449 180 HA ALA 33 HA ALA 33 8.650 -8.406 -4.232 181 1HB ALA 33 1HB ALA 33 9.281 -10.218 -2.690 182 2HB ALA 33 2HB ALA 33 7.605 -10.415 -3.235 183 3HB ALA 33 3HB ALA 33 7.941 -9.759 -1.606 184 H GLY 34 H GLY 34 7.437 -6.102 -2.164 185 1HA GLY 34 1HA GLY 34 5.246 -5.245 -1.792 186 2HA GLY 34 2HA GLY 34 4.584 -6.751 -2.380 187 H CYS 35 H CYS 35 6.964 -4.663 -4.092 188 HA CYS 35 HA CYS 35 5.222 -3.370 -5.862 189 1HB CYS 35 1HB CYS 35 7.990 -4.396 -6.497 190 2HB CYS 35 2HB CYS 35 7.203 -2.986 -7.199 191 H SER 36 H SER 36 6.007 -6.876 -5.907 192 HA SER 36 HA SER 36 5.203 -6.999 -8.686 193 1HB SER 36 1HB SER 36 6.175 -9.185 -8.542 194 2HB SER 36 2HB SER 36 7.263 -7.964 -7.862 195 HG SER 36 HG SER 36 5.859 -10.001 -6.556 196 H ASN 37 H ASN 37 4.009 -7.236 -5.566 197 HA ASN 37 HA ASN 37 1.741 -9.095 -6.115 198 1HB ASN 37 1HB ASN 37 2.901 -7.878 -3.620 199 2HB ASN 37 2HB ASN 37 1.171 -7.811 -3.708 200 1HD2 ASN 37 2HD2 ASN 37 -0.052 -9.701 -4.300 201 2HD2 ASN 37 1HD2 ASN 37 0.447 -11.284 -3.733 202 H SER 38 H SER 38 0.614 -7.985 -7.805 203 HA SER 38 HA SER 38 0.199 -5.322 -8.136 204 1HB SER 38 1HB SER 38 -1.566 -7.602 -8.738 205 2HB SER 38 2HB SER 38 -1.832 -5.967 -9.371 206 HG SER 38 HG SER 38 -0.286 -6.233 -10.724 207 H ASP 39 H ASP 39 -1.438 -7.364 -5.780 208 HA ASP 39 HA ASP 39 -3.620 -5.770 -4.986 209 1HB ASP 39 1HB ASP 39 -3.167 -8.100 -4.310 210 2HB ASP 39 2HB ASP 39 -1.774 -7.586 -3.358 211 H CYS 40 H CYS 40 -0.183 -5.444 -4.293 212 HA CYS 40 HA CYS 40 -0.538 -3.218 -2.348 213 1HB CYS 40 1HB CYS 40 1.864 -4.880 -3.255 214 2HB CYS 40 2HB CYS 40 1.955 -3.544 -2.117 215 H THR 41 H THR 41 0.773 -4.122 -5.580 216 HA THR 41 HA THR 41 2.566 -2.216 -5.987 217 HB THR 41 HB THR 41 0.641 -3.442 -7.944 218 HG1 THR 41 HG1 THR 41 2.526 -4.920 -8.105 219 1HG2 THR 41 1HG2 THR 41 1.984 -1.660 -9.032 220 2HG2 THR 41 2HG2 THR 41 3.445 -2.586 -8.592 221 3HG2 THR 41 3HG2 THR 41 2.207 -3.309 -9.655 222 H ALA 42 H ALA 42 -0.983 -1.552 -6.573 223 HA ALA 42 HA ALA 42 -0.342 0.819 -8.161 224 1HB ALA 42 1HB ALA 42 -2.491 -0.418 -8.407 225 2HB ALA 42 2HB ALA 42 -2.960 0.099 -6.779 226 3HB ALA 42 3HB ALA 42 -2.705 1.307 -8.059 227 H PHE 43 H PHE 43 -1.213 0.092 -4.822 228 HA PHE 43 HA PHE 43 -1.122 2.771 -3.768 229 1HB PHE 43 1HB PHE 43 -2.148 0.963 -2.511 230 2HB PHE 43 2HB PHE 43 -0.676 0.022 -2.593 231 HD1 PHE 43 HD1 PHE 43 -2.446 2.524 -0.625 232 HD2 PHE 43 HD2 PHE 43 1.333 0.638 -1.406 233 HE1 PHE 43 HE1 PHE 43 -1.530 3.374 1.542 234 HE2 PHE 43 HE2 PHE 43 2.277 1.650 0.655 235 HZ PHE 43 HZ PHE 43 0.825 2.938 2.152 236 H LEU 44 H LEU 44 1.409 0.150 -3.856 237 HA LEU 44 HA LEU 44 3.350 1.828 -2.831 238 1HB LEU 44 1HB LEU 44 3.686 -0.593 -4.651 239 2HB LEU 44 2HB LEU 44 4.990 0.187 -3.791 240 HG LEU 44 HG LEU 44 2.597 -1.151 -2.471 241 1HD1 LEU 44 1HD1 LEU 44 5.492 -2.004 -2.790 242 2HD1 LEU 44 2HD1 LEU 44 4.312 -2.811 -1.738 243 3HD1 LEU 44 3HD1 LEU 44 4.053 -2.769 -3.494 244 1HD2 LEU 44 1HD2 LEU 44 3.451 0.748 -1.080 245 2HD2 LEU 44 2HD2 LEU 44 3.636 -0.831 -0.374 246 3HD2 LEU 44 3HD2 LEU 44 5.031 -0.017 -1.124 247 H SER 45 H SER 45 2.386 1.596 -6.175 248 HA SER 45 HA SER 45 4.491 2.952 -7.460 249 1HB SER 45 1HB SER 45 2.474 1.867 -8.540 250 2HB SER 45 2HB SER 45 1.485 3.152 -7.970 251 HG SER 45 HG SER 45 3.699 3.406 -9.765 252 H GLN 46 H GLN 46 1.592 4.278 -5.820 253 HA GLN 46 HA GLN 46 2.421 7.055 -6.031 254 1HB GLN 46 1HB GLN 46 0.158 5.480 -4.782 255 2HB GLN 46 2HB GLN 46 0.421 7.137 -4.252 256 1HG GLN 46 1HG GLN 46 -1.266 6.792 -6.112 257 2HG GLN 46 2HG GLN 46 -0.064 8.062 -6.323 258 1HE2 GLN 46 2HE2 GLN 46 -0.616 4.531 -7.277 259 2HE2 GLN 46 1HE2 GLN 46 0.025 4.848 -8.887 260 H CYS 47 H CYS 47 2.410 4.623 -3.417 261 HA CYS 47 HA CYS 47 3.058 6.592 -1.434 262 1HB CYS 47 1HB CYS 47 1.717 4.389 -1.239 263 2HB CYS 47 2HB CYS 47 3.274 3.574 -1.136 264 H TYR 48 H TYR 48 5.005 4.519 -3.432 265 HA TYR 48 HA TYR 48 7.496 5.433 -2.082 266 1HB TYR 48 1HB TYR 48 6.768 2.706 -3.046 267 2HB TYR 48 2HB TYR 48 8.434 3.234 -2.855 268 HD1 TYR 48 HD1 TYR 48 9.385 3.679 -0.627 269 HD2 TYR 48 HD2 TYR 48 5.403 2.173 -1.197 270 HE1 TYR 48 HE1 TYR 48 9.388 2.835 1.710 271 HE2 TYR 48 HE2 TYR 48 5.519 1.041 1.025 272 HH TYR 48 HH TYR 48 8.161 1.644 3.366 273 H GLY 49 H GLY 49 6.963 3.418 -4.878 274 1HA GLY 49 1HA GLY 49 8.768 4.808 -6.540 275 2HA GLY 49 2HA GLY 49 7.138 5.236 -7.059 276 H GLY 50 H GLY 50 6.922 2.089 -5.752 277 1HA GLY 50 1HA GLY 50 6.665 0.851 -8.360 278 2HA GLY 50 2HA GLY 50 6.427 0.137 -6.749 279 H CYS 51 H CYS 51 8.901 0.789 -5.658 280 HA CYS 51 HA CYS 51 10.913 0.034 -5.191 281 1HB CYS 51 1HB CYS 51 10.381 -2.118 -7.234 282 2HB CYS 51 2HB CYS 51 11.836 -2.015 -6.294 No H/Q in entry = 282 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -9.218 -7.036 -2.589 2 H2 GLY 1 H2 GLY 1 -8.366 -8.419 -2.883 3 H3 GLY 1 H3 GLY 1 -9.018 -8.146 -1.384 4 1HA GLY 1 1HA GLY 1 -6.811 -6.716 -2.677 5 2HA GLY 1 2HA GLY 1 -6.725 -7.729 -1.224 6 H GLU 2 H GLU 2 -6.400 -6.447 0.464 7 HA GLU 2 HA GLU 2 -8.385 -4.625 1.371 8 1HB GLU 2 1HB GLU 2 -6.899 -4.325 3.276 9 2HB GLU 2 2HB GLU 2 -7.067 -6.038 2.862 10 1HG GLU 2 1HG GLU 2 -4.959 -5.669 1.432 11 2HG GLU 2 2HG GLU 2 -4.678 -4.214 2.365 12 H CYS 3 H CYS 3 -5.331 -4.262 -0.369 13 HA CYS 3 HA CYS 3 -5.054 -1.481 0.406 14 1HB CYS 3 1HB CYS 3 -3.129 -2.951 0.090 15 2HB CYS 3 2HB CYS 3 -3.567 -3.212 -1.599 16 H GLU 4 H GLU 4 -5.974 -3.316 -2.518 17 HA GLU 4 HA GLU 4 -6.770 -1.131 -4.180 18 1HB GLU 4 1HB GLU 4 -7.812 -3.973 -3.911 19 2HB GLU 4 2HB GLU 4 -8.390 -2.845 -5.141 20 1HG GLU 4 1HG GLU 4 -6.065 -2.626 -5.996 21 2HG GLU 4 2HG GLU 4 -5.537 -3.844 -4.844 22 H GLN 5 H GLN 5 -8.603 -2.915 -1.604 23 HA GLN 5 HA GLN 5 -11.022 -1.457 -2.094 24 1HB GLN 5 1HB GLN 5 -10.767 -3.726 -0.910 25 2HB GLN 5 2HB GLN 5 -10.144 -2.853 0.484 26 1HG GLN 5 1HG GLN 5 -12.541 -3.418 0.711 27 2HG GLN 5 2HG GLN 5 -12.251 -1.690 0.786 28 1HE2 GLN 5 2HE2 GLN 5 -13.723 -0.490 -0.366 29 2HE2 GLN 5 1HE2 GLN 5 -14.596 -1.046 -1.778 30 H CYS 6 H CYS 6 -8.273 -0.760 0.008 31 HA CYS 6 HA CYS 6 -9.557 1.535 1.202 32 1HB CYS 6 1HB CYS 6 -7.561 0.212 1.996 33 2HB CYS 6 2HB CYS 6 -6.595 1.094 0.833 34 H PHE 7 H PHE 7 -7.649 1.049 -1.817 35 HA PHE 7 HA PHE 7 -7.588 3.839 -2.556 36 1HB PHE 7 1HB PHE 7 -6.999 1.249 -3.838 37 2HB PHE 7 2HB PHE 7 -7.751 2.396 -4.930 38 HD1 PHE 7 HD1 PHE 7 -6.507 4.155 -5.903 39 HD2 PHE 7 HD2 PHE 7 -4.896 2.096 -2.434 40 HE1 PHE 7 HE1 PHE 7 -4.391 5.376 -6.164 41 HE2 PHE 7 HE2 PHE 7 -2.735 3.255 -2.827 42 HZ PHE 7 HZ PHE 7 -2.475 4.912 -4.617 43 H SER 8 H SER 8 -9.985 1.248 -3.112 44 HA SER 8 HA SER 8 -12.019 2.915 -4.274 45 1HB SER 8 1HB SER 8 -11.855 0.180 -3.029 46 2HB SER 8 2HB SER 8 -13.443 0.907 -3.274 47 HG SER 8 HG SER 8 -13.301 0.617 -5.269 48 H ASP 9 H ASP 9 -10.748 3.166 -1.145 49 HA ASP 9 HA ASP 9 -13.213 4.663 -0.348 50 1HB ASP 9 1HB ASP 9 -11.815 2.712 1.028 51 2HB ASP 9 2HB ASP 9 -11.041 4.138 1.624 52 H GLY 10 H GLY 10 -11.299 5.543 -2.324 53 1HA GLY 10 1HA GLY 10 -10.793 8.218 -1.374 54 2HA GLY 10 2HA GLY 10 -10.333 7.521 -2.941 55 H GLY 11 H GLY 11 -8.972 5.324 -1.072 56 1HA GLY 11 1HA GLY 11 -6.866 4.783 -0.594 57 2HA GLY 11 2HA GLY 11 -6.835 6.264 0.350 58 H ASP 12 H ASP 12 -4.812 7.005 -0.098 59 HA ASP 12 HA ASP 12 -3.815 7.043 -2.893 60 1HB ASP 12 1HB ASP 12 -2.451 9.065 -2.142 61 2HB ASP 12 2HB ASP 12 -4.122 9.276 -2.610 62 H CYS 13 H CYS 13 -2.277 7.957 0.145 63 HA CYS 13 HA CYS 13 -0.616 5.538 0.315 64 1HB CYS 13 1HB CYS 13 0.688 6.801 -1.227 65 2HB CYS 13 2HB CYS 13 0.298 8.314 -0.464 66 H THR 14 H THR 14 -0.895 8.952 1.524 67 HA THR 14 HA THR 14 -0.482 8.162 4.238 68 HB THR 14 HB THR 14 -1.907 10.650 3.245 69 HG1 THR 14 HG1 THR 14 0.666 9.770 2.981 70 1HG2 THR 14 1HG2 THR 14 -1.920 10.306 5.735 71 2HG2 THR 14 2HG2 THR 14 -0.147 10.222 5.704 72 3HG2 THR 14 3HG2 THR 14 -0.980 11.720 5.235 73 H THR 15 H THR 15 -3.625 8.692 2.366 74 HA THR 15 HA THR 15 -5.035 8.276 4.901 75 HB THR 15 HB THR 15 -5.556 9.885 3.009 76 HG1 THR 15 HG1 THR 15 -7.968 9.011 3.279 77 1HG2 THR 15 1HG2 THR 15 -5.612 8.072 1.185 78 2HG2 THR 15 2HG2 THR 15 -7.249 7.746 1.766 79 3HG2 THR 15 3HG2 THR 15 -6.828 9.352 1.151 80 H CYS 16 H CYS 16 -3.447 5.999 4.057 81 HA CYS 16 HA CYS 16 -5.477 3.863 4.450 82 1HB CYS 16 1HB CYS 16 -3.642 4.043 2.059 83 2HB CYS 16 2HB CYS 16 -4.216 2.480 2.635 84 H PHE 17 H PHE 17 -1.931 4.748 4.345 85 HA PHE 17 HA PHE 17 -1.034 2.469 5.520 86 1HB PHE 17 1HB PHE 17 0.380 4.269 4.623 87 2HB PHE 17 2HB PHE 17 -0.018 5.283 6.005 88 HD1 PHE 17 HD1 PHE 17 1.141 1.780 5.459 89 HD2 PHE 17 HD2 PHE 17 1.767 5.435 7.620 90 HE1 PHE 17 HE1 PHE 17 3.032 0.701 6.723 91 HE2 PHE 17 HE2 PHE 17 3.684 4.367 8.817 92 HZ PHE 17 HZ PHE 17 4.324 2.024 8.322 93 H ASN 18 H ASN 18 -2.625 5.084 7.404 94 HA ASN 18 HA ASN 18 -3.281 5.269 9.501 95 1HB ASN 18 1HB ASN 18 -4.056 2.759 8.752 96 2HB ASN 18 2HB ASN 18 -3.124 2.402 10.201 97 1HD2 ASN 18 2HD2 ASN 18 -6.160 2.733 9.246 98 2HD2 ASN 18 1HD2 ASN 18 -6.917 3.545 10.585 99 H ASN 19 H ASN 19 -0.294 4.710 8.895 100 HA ASN 19 HA ASN 19 1.685 4.655 9.940 101 1HB ASN 19 1HB ASN 19 0.755 6.434 11.452 102 2HB ASN 19 2HB ASN 19 0.512 5.153 12.651 103 1HD2 ASN 19 2HD2 ASN 19 2.964 7.111 10.921 104 2HD2 ASN 19 1HD2 ASN 19 4.321 6.421 11.779 105 H GLY 20 H GLY 20 0.958 2.455 9.065 106 1HA GLY 20 1HA GLY 20 2.468 0.730 10.788 107 2HA GLY 20 2HA GLY 20 2.027 0.470 9.132 108 H THR 21 H THR 21 -0.881 1.090 10.663 109 HA THR 21 HA THR 21 -1.545 -1.781 11.049 110 HB THR 21 HB THR 21 -3.346 -0.660 12.538 111 HG1 THR 21 HG1 THR 21 -2.734 1.454 13.215 112 1HG2 THR 21 1HG2 THR 21 -1.362 -1.868 13.420 113 2HG2 THR 21 2HG2 THR 21 -0.403 -0.372 13.331 114 3HG2 THR 21 3HG2 THR 21 -1.787 -0.496 14.433 115 H GLY 22 H GLY 22 -1.803 0.527 8.730 116 1HA GLY 22 1HA GLY 22 -3.191 0.981 7.049 117 2HA GLY 22 2HA GLY 22 -4.574 0.376 7.978 118 HA PRO 23 HA PRO 23 -4.576 -3.098 5.284 119 1HB PRO 23 1HB PRO 23 -5.455 -2.213 2.816 120 2HB PRO 23 2HB PRO 23 -6.481 -2.363 4.277 121 1HG PRO 23 1HG PRO 23 -5.347 0.084 3.013 122 2HG PRO 23 2HG PRO 23 -6.853 -0.135 3.976 123 1HD PRO 23 1HD PRO 23 -4.421 0.925 4.850 124 2HD PRO 23 2HD PRO 23 -5.778 0.439 5.880 125 H CYS 24 H CYS 24 -3.322 -0.569 3.019 126 HA CYS 24 HA CYS 24 -0.967 -2.208 2.352 127 1HB CYS 24 1HB CYS 24 -2.192 0.246 1.260 128 2HB CYS 24 2HB CYS 24 -0.466 0.388 1.484 129 H ALA 25 H ALA 25 -0.556 -2.466 4.660 130 HA ALA 25 HA ALA 25 1.245 -0.270 5.587 131 1HB ALA 25 1HB ALA 25 0.865 -1.005 7.878 132 2HB ALA 25 2HB ALA 25 -0.341 -2.189 7.321 133 3HB ALA 25 3HB ALA 25 -0.632 -0.440 7.098 134 H ASN 26 H ASN 26 0.790 -3.849 5.934 135 HA ASN 26 HA ASN 26 3.630 -4.203 6.213 136 1HB ASN 26 1HB ASN 26 3.136 -6.612 5.921 137 2HB ASN 26 2HB ASN 26 2.055 -5.850 7.089 138 1HD2 ASN 26 2HD2 ASN 26 2.216 -7.292 3.786 139 2HD2 ASN 26 1HD2 ASN 26 0.462 -7.322 3.617 140 H CYS 27 H CYS 27 1.742 -3.539 3.391 141 HA CYS 27 HA CYS 27 3.714 -4.557 1.468 142 1HB CYS 27 1HB CYS 27 1.522 -2.540 0.966 143 2HB CYS 27 2HB CYS 27 2.663 -3.206 -0.150 144 H LEU 28 H LEU 28 4.257 -2.399 3.980 145 HA LEU 28 HA LEU 28 5.800 -0.541 2.261 146 1HB LEU 28 1HB LEU 28 4.874 -0.151 5.144 147 2HB LEU 28 2HB LEU 28 5.867 0.916 4.233 148 HG LEU 28 HG LEU 28 3.084 0.947 4.440 149 1HD1 LEU 28 1HD1 LEU 28 4.581 2.852 4.186 150 2HD1 LEU 28 2HD1 LEU 28 4.883 2.397 2.488 151 3HD1 LEU 28 3HD1 LEU 28 3.262 2.930 3.011 152 1HD2 LEU 28 1HD2 LEU 28 3.722 0.329 1.564 153 2HD2 LEU 28 2HD2 LEU 28 2.676 -0.633 2.671 154 3HD2 LEU 28 3HD2 LEU 28 2.176 0.952 2.241 155 H ALA 29 H ALA 29 6.140 -1.877 5.582 156 HA ALA 29 HA ALA 29 8.903 -1.227 5.640 157 1HB ALA 29 1HB ALA 29 8.877 -2.564 7.741 158 2HB ALA 29 2HB ALA 29 7.572 -1.373 7.661 159 3HB ALA 29 3HB ALA 29 7.210 -3.088 7.371 160 H GLY 30 H GLY 30 7.634 -4.598 5.936 161 1HA GLY 30 1HA GLY 30 8.662 -6.568 5.253 162 2HA GLY 30 2HA GLY 30 9.968 -5.649 4.477 163 H TYR 31 H TYR 31 9.260 -4.250 2.556 164 HA TYR 31 HA TYR 31 7.156 -5.715 0.985 165 1HB TYR 31 1HB TYR 31 6.481 -3.763 0.143 166 2HB TYR 31 2HB TYR 31 6.916 -3.264 1.746 167 HD1 TYR 31 HD1 TYR 31 6.437 -1.611 -0.692 168 HD2 TYR 31 HD2 TYR 31 10.062 -3.239 0.832 169 HE1 TYR 31 HE1 TYR 31 7.705 0.087 -2.061 170 HE2 TYR 31 HE2 TYR 31 11.365 -1.473 -0.364 171 HH TYR 31 HH TYR 31 11.235 0.450 -1.829 172 HA PRO 32 HA PRO 32 11.187 -5.772 -1.347 173 1HB PRO 32 1HB PRO 32 12.121 -8.381 -1.154 174 2HB PRO 32 2HB PRO 32 12.569 -7.037 -0.062 175 1HG PRO 32 1HG PRO 32 10.469 -9.170 0.376 176 2HG PRO 32 2HG PRO 32 11.682 -8.506 1.528 177 1HD PRO 32 1HD PRO 32 9.063 -7.697 1.491 178 2HD PRO 32 2HD PRO 32 10.425 -6.613 1.915 179 H ALA 33 H ALA 33 8.372 -7.672 -1.276 180 HA ALA 33 HA ALA 33 8.512 -8.398 -4.155 181 1HB ALA 33 1HB ALA 33 6.885 -10.143 -3.603 182 2HB ALA 33 2HB ALA 33 8.325 -10.327 -2.576 183 3HB ALA 33 3HB ALA 33 6.825 -9.593 -1.918 184 H GLY 34 H GLY 34 7.389 -5.937 -2.253 185 1HA GLY 34 1HA GLY 34 5.608 -4.516 -2.258 186 2HA GLY 34 2HA GLY 34 4.603 -5.948 -2.414 187 H CYS 35 H CYS 35 6.935 -4.444 -4.711 188 HA CYS 35 HA CYS 35 5.097 -3.422 -6.573 189 1HB CYS 35 1HB CYS 35 7.762 -4.723 -7.157 190 2HB CYS 35 2HB CYS 35 6.948 -3.538 -8.161 191 H SER 36 H SER 36 5.772 -6.798 -5.950 192 HA SER 36 HA SER 36 4.775 -7.609 -8.589 193 1HB SER 36 1HB SER 36 6.837 -8.619 -7.496 194 2HB SER 36 2HB SER 36 5.748 -9.362 -6.309 195 HG SER 36 HG SER 36 6.231 -10.729 -8.096 196 H ASN 37 H ASN 37 3.817 -7.086 -5.318 197 HA ASN 37 HA ASN 37 1.551 -8.951 -5.237 198 1HB ASN 37 1HB ASN 37 3.002 -7.293 -3.321 199 2HB ASN 37 2HB ASN 37 1.339 -6.835 -3.256 200 1HD2 ASN 37 2HD2 ASN 37 -0.137 -8.933 -3.466 201 2HD2 ASN 37 1HD2 ASN 37 0.101 -9.937 -2.052 202 H SER 38 H SER 38 0.381 -8.310 -7.170 203 HA SER 38 HA SER 38 -0.224 -5.783 -8.063 204 1HB SER 38 1HB SER 38 -1.897 -8.210 -8.199 205 2HB SER 38 2HB SER 38 -2.019 -6.781 -9.238 206 HG SER 38 HG SER 38 -0.464 -7.541 -10.385 207 H ASP 39 H ASP 39 -1.713 -7.248 -5.170 208 HA ASP 39 HA ASP 39 -4.005 -5.468 -5.002 209 1HB ASP 39 1HB ASP 39 -3.756 -7.532 -3.671 210 2HB ASP 39 2HB ASP 39 -2.371 -6.846 -2.834 211 H CYS 40 H CYS 40 -0.568 -5.184 -4.189 212 HA CYS 40 HA CYS 40 -0.968 -2.621 -2.749 213 1HB CYS 40 1HB CYS 40 1.181 -4.772 -2.679 214 2HB CYS 40 2HB CYS 40 1.423 -3.213 -1.928 215 H THR 41 H THR 41 0.276 -3.977 -5.644 216 HA THR 41 HA THR 41 2.514 -2.596 -6.225 217 HB THR 41 HB THR 41 0.165 -3.608 -7.828 218 HG1 THR 41 HG1 THR 41 1.815 -4.904 -6.657 219 1HG2 THR 41 1HG2 THR 41 1.249 -1.881 -9.313 220 2HG2 THR 41 2HG2 THR 41 2.727 -2.850 -9.222 221 3HG2 THR 41 3HG2 THR 41 1.222 -3.578 -9.870 222 H ALA 42 H ALA 42 -0.831 -1.354 -7.012 223 HA ALA 42 HA ALA 42 0.327 0.998 -8.265 224 1HB ALA 42 1HB ALA 42 -1.795 0.180 -9.098 225 2HB ALA 42 2HB ALA 42 -2.052 1.785 -8.373 226 3HB ALA 42 3HB ALA 42 -2.521 0.342 -7.485 227 H PHE 43 H PHE 43 -0.766 0.232 -5.019 228 HA PHE 43 HA PHE 43 -0.745 2.957 -4.023 229 1HB PHE 43 1HB PHE 43 -1.796 1.202 -2.717 230 2HB PHE 43 2HB PHE 43 -0.309 0.262 -2.692 231 HD1 PHE 43 HD1 PHE 43 1.720 1.207 -1.557 232 HD2 PHE 43 HD2 PHE 43 -2.231 2.530 -0.756 233 HE1 PHE 43 HE1 PHE 43 2.543 2.274 0.509 234 HE2 PHE 43 HE2 PHE 43 -1.481 3.482 1.416 235 HZ PHE 43 HZ PHE 43 0.957 3.341 2.032 236 H LEU 44 H LEU 44 1.738 0.287 -3.853 237 HA LEU 44 HA LEU 44 3.733 1.996 -2.961 238 1HB LEU 44 1HB LEU 44 4.033 -0.551 -4.595 239 2HB LEU 44 2HB LEU 44 5.301 0.185 -3.615 240 HG LEU 44 HG LEU 44 2.656 -0.893 -2.516 241 1HD1 LEU 44 1HD1 LEU 44 5.427 -2.082 -2.683 242 2HD1 LEU 44 2HD1 LEU 44 4.148 -2.695 -1.612 243 3HD1 LEU 44 3HD1 LEU 44 3.904 -2.681 -3.364 244 1HD2 LEU 44 1HD2 LEU 44 3.733 0.999 -1.137 245 2HD2 LEU 44 2HD2 LEU 44 3.341 -0.525 -0.386 246 3HD2 LEU 44 3HD2 LEU 44 5.019 -0.145 -0.841 247 H SER 45 H SER 45 2.939 1.295 -6.360 248 HA SER 45 HA SER 45 5.006 2.582 -7.718 249 1HB SER 45 1HB SER 45 2.013 2.188 -8.054 250 2HB SER 45 2HB SER 45 2.943 2.908 -9.308 251 HG SER 45 HG SER 45 3.419 0.317 -8.262 252 H GLN 46 H GLN 46 2.452 3.963 -5.733 253 HA GLN 46 HA GLN 46 3.202 6.742 -6.482 254 1HB GLN 46 1HB GLN 46 0.791 5.480 -5.143 255 2HB GLN 46 2HB GLN 46 1.064 7.214 -5.096 256 1HG GLN 46 1HG GLN 46 1.063 7.375 -7.515 257 2HG GLN 46 2HG GLN 46 1.100 5.634 -7.713 258 1HE2 GLN 46 2HE2 GLN 46 -0.835 4.374 -6.901 259 2HE2 GLN 46 1HE2 GLN 46 -2.393 5.155 -7.140 260 H CYS 47 H CYS 47 2.586 4.884 -3.459 261 HA CYS 47 HA CYS 47 3.764 6.777 -1.736 262 1HB CYS 47 1HB CYS 47 2.126 4.695 -1.433 263 2HB CYS 47 2HB CYS 47 3.622 3.863 -0.981 264 H TYR 48 H TYR 48 5.429 4.553 -3.734 265 HA TYR 48 HA TYR 48 8.019 5.034 -2.329 266 1HB TYR 48 1HB TYR 48 6.928 2.436 -3.334 267 2HB TYR 48 2HB TYR 48 8.629 2.757 -3.318 268 HD1 TYR 48 HD1 TYR 48 9.827 3.279 -1.161 269 HD2 TYR 48 HD2 TYR 48 5.721 2.035 -1.324 270 HE1 TYR 48 HE1 TYR 48 10.000 2.451 1.169 271 HE2 TYR 48 HE2 TYR 48 5.892 1.077 0.931 272 HH TYR 48 HH TYR 48 8.085 0.242 2.493 273 H GLY 49 H GLY 49 6.184 5.015 -5.284 274 1HA GLY 49 1HA GLY 49 8.510 5.905 -6.875 275 2HA GLY 49 2HA GLY 49 6.826 5.928 -7.376 276 H GLY 50 H GLY 50 7.469 2.981 -5.889 277 1HA GLY 50 1HA GLY 50 8.114 1.539 -8.414 278 2HA GLY 50 2HA GLY 50 7.420 0.824 -6.951 279 H CYS 51 H CYS 51 8.879 -0.412 -5.938 280 HA CYS 51 HA CYS 51 11.501 0.232 -5.128 281 1HB CYS 51 1HB CYS 51 11.631 -2.126 -4.695 282 2HB CYS 51 2HB CYS 51 10.068 -1.520 -4.159 No H/Q in entry = 282 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -8.371 -8.844 -0.307 2 H2 GLY 1 H2 GLY 1 -9.909 -8.561 -0.802 3 H3 GLY 1 H3 GLY 1 -8.802 -9.191 -1.863 4 1HA GLY 1 1HA GLY 1 -9.201 -6.857 -2.301 5 2HA GLY 1 2HA GLY 1 -7.531 -7.191 -1.801 6 H GLU 2 H GLU 2 -6.717 -6.026 -0.183 7 HA GLU 2 HA GLU 2 -8.560 -4.604 1.664 8 1HB GLU 2 1HB GLU 2 -6.809 -4.703 3.348 9 2HB GLU 2 2HB GLU 2 -7.439 -6.281 2.876 10 1HG GLU 2 1HG GLU 2 -5.262 -5.912 1.196 11 2HG GLU 2 2HG GLU 2 -4.699 -5.211 2.715 12 H CYS 3 H CYS 3 -5.278 -4.442 0.209 13 HA CYS 3 HA CYS 3 -4.982 -1.674 0.704 14 1HB CYS 3 1HB CYS 3 -3.123 -3.258 0.331 15 2HB CYS 3 2HB CYS 3 -3.643 -3.491 -1.340 16 H GLU 4 H GLU 4 -5.842 -3.450 -2.353 17 HA GLU 4 HA GLU 4 -6.556 -1.195 -3.854 18 1HB GLU 4 1HB GLU 4 -7.653 -4.036 -3.854 19 2HB GLU 4 2HB GLU 4 -8.096 -2.826 -5.068 20 1HG GLU 4 1HG GLU 4 -5.654 -2.546 -5.604 21 2HG GLU 4 2HG GLU 4 -5.292 -3.799 -4.447 22 H GLN 5 H GLN 5 -8.565 -2.839 -1.359 23 HA GLN 5 HA GLN 5 -10.942 -1.417 -2.132 24 1HB GLN 5 1HB GLN 5 -10.702 -3.664 -0.816 25 2HB GLN 5 2HB GLN 5 -10.462 -2.647 0.596 26 1HG GLN 5 1HG GLN 5 -12.751 -3.243 0.588 27 2HG GLN 5 2HG GLN 5 -12.742 -1.568 0.050 28 1HE2 GLN 5 2HE2 GLN 5 -13.001 -1.204 -2.387 29 2HE2 GLN 5 1HE2 GLN 5 -13.766 -2.435 -3.355 30 H CYS 6 H CYS 6 -8.297 -0.631 0.035 31 HA CYS 6 HA CYS 6 -9.586 1.696 1.236 32 1HB CYS 6 1HB CYS 6 -7.559 0.476 2.056 33 2HB CYS 6 2HB CYS 6 -6.636 1.196 0.745 34 H PHE 7 H PHE 7 -7.499 1.076 -1.609 35 HA PHE 7 HA PHE 7 -7.345 3.782 -2.508 36 1HB PHE 7 1HB PHE 7 -6.519 1.163 -3.443 37 2HB PHE 7 2HB PHE 7 -7.322 2.011 -4.744 38 HD1 PHE 7 HD1 PHE 7 -5.592 2.663 -6.187 39 HD2 PHE 7 HD2 PHE 7 -5.025 3.263 -1.971 40 HE1 PHE 7 HE1 PHE 7 -3.594 4.029 -6.645 41 HE2 PHE 7 HE2 PHE 7 -3.044 4.640 -2.426 42 HZ PHE 7 HZ PHE 7 -2.323 5.091 -4.735 43 H SER 8 H SER 8 -9.836 1.223 -3.096 44 HA SER 8 HA SER 8 -11.427 2.702 -4.850 45 1HB SER 8 1HB SER 8 -12.548 0.921 -2.660 46 2HB SER 8 2HB SER 8 -13.218 1.224 -4.266 47 HG SER 8 HG SER 8 -11.269 0.165 -5.092 48 H ASP 9 H ASP 9 -11.027 3.227 -1.386 49 HA ASP 9 HA ASP 9 -13.362 5.084 -1.405 50 1HB ASP 9 1HB ASP 9 -13.477 2.861 -0.068 51 2HB ASP 9 2HB ASP 9 -12.432 3.662 1.085 52 H GLY 10 H GLY 10 -10.766 5.808 -2.274 53 1HA GLY 10 1HA GLY 10 -10.505 8.110 -0.418 54 2HA GLY 10 2HA GLY 10 -10.254 8.119 -2.157 55 H GLY 11 H GLY 11 -8.609 5.398 -1.226 56 1HA GLY 11 1HA GLY 11 -6.384 4.941 -0.886 57 2HA GLY 11 2HA GLY 11 -6.343 6.415 0.085 58 H ASP 12 H ASP 12 -4.486 7.348 -0.561 59 HA ASP 12 HA ASP 12 -3.797 7.515 -3.475 60 1HB ASP 12 1HB ASP 12 -4.555 9.712 -2.582 61 2HB ASP 12 2HB ASP 12 -3.233 9.634 -1.421 62 H CYS 13 H CYS 13 -2.624 7.632 -0.163 63 HA CYS 13 HA CYS 13 -0.850 5.531 -0.202 64 1HB CYS 13 1HB CYS 13 0.774 6.704 -1.521 65 2HB CYS 13 2HB CYS 13 0.418 8.206 -0.712 66 H THR 14 H THR 14 -0.540 8.841 1.078 67 HA THR 14 HA THR 14 0.067 8.242 3.665 68 HB THR 14 HB THR 14 -1.472 10.580 2.475 69 HG1 THR 14 HG1 THR 14 0.718 10.398 1.836 70 1HG2 THR 14 1HG2 THR 14 -0.331 10.343 5.293 71 2HG2 THR 14 2HG2 THR 14 -0.851 11.855 4.513 72 3HG2 THR 14 3HG2 THR 14 -2.034 10.598 4.852 73 H THR 15 H THR 15 -3.278 8.708 2.453 74 HA THR 15 HA THR 15 -4.353 8.162 5.074 75 HB THR 15 HB THR 15 -4.833 9.854 2.978 76 HG1 THR 15 HG1 THR 15 -7.011 9.922 4.310 77 1HG2 THR 15 1HG2 THR 15 -6.056 8.171 1.610 78 2HG2 THR 15 2HG2 THR 15 -7.326 8.236 2.860 79 3HG2 THR 15 3HG2 THR 15 -6.882 9.691 1.968 80 H CYS 16 H CYS 16 -3.027 5.907 3.968 81 HA CYS 16 HA CYS 16 -5.160 3.915 4.571 82 1HB CYS 16 1HB CYS 16 -3.295 3.617 2.229 83 2HB CYS 16 2HB CYS 16 -4.226 2.335 2.958 84 H PHE 17 H PHE 17 -1.662 4.925 4.544 85 HA PHE 17 HA PHE 17 -0.803 2.382 5.472 86 1HB PHE 17 1HB PHE 17 0.778 4.068 4.637 87 2HB PHE 17 2HB PHE 17 0.408 5.124 5.998 88 HD1 PHE 17 HD1 PHE 17 2.368 5.242 7.348 89 HD2 PHE 17 HD2 PHE 17 1.100 1.445 5.818 90 HE1 PHE 17 HE1 PHE 17 4.170 4.119 8.633 91 HE2 PHE 17 HE2 PHE 17 2.922 0.291 7.100 92 HZ PHE 17 HZ PHE 17 4.447 1.663 8.513 93 H ASN 18 H ASN 18 -2.496 4.942 7.156 94 HA ASN 18 HA ASN 18 -3.050 5.360 9.276 95 1HB ASN 18 1HB ASN 18 -4.212 3.148 8.543 96 2HB ASN 18 2HB ASN 18 -3.038 2.384 9.640 97 1HD2 ASN 18 2HD2 ASN 18 -5.206 1.673 10.675 98 2HD2 ASN 18 1HD2 ASN 18 -5.910 2.806 11.818 99 H ASN 19 H ASN 19 -0.131 4.718 8.776 100 HA ASN 19 HA ASN 19 1.819 4.574 9.814 101 1HB ASN 19 1HB ASN 19 1.098 6.520 10.986 102 2HB ASN 19 2HB ASN 19 0.232 5.547 12.152 103 1HD2 ASN 19 2HD2 ASN 19 1.194 5.545 14.068 104 2HD2 ASN 19 1HD2 ASN 19 2.909 5.522 14.379 105 H GLY 20 H GLY 20 1.064 2.318 9.166 106 1HA GLY 20 1HA GLY 20 2.481 0.654 11.035 107 2HA GLY 20 2HA GLY 20 1.934 0.231 9.428 108 H THR 21 H THR 21 -0.895 0.982 10.016 109 HA THR 21 HA THR 21 -1.784 -1.543 11.106 110 HB THR 21 HB THR 21 -1.291 -0.534 13.126 111 HG1 THR 21 HG1 THR 21 -2.943 -1.267 13.968 112 1HG2 THR 21 1HG2 THR 21 -3.051 1.691 12.181 113 2HG2 THR 21 2HG2 THR 21 -2.450 1.522 13.859 114 3HG2 THR 21 3HG2 THR 21 -1.311 1.742 12.519 115 H GLY 22 H GLY 22 -1.922 -0.561 8.552 116 1HA GLY 22 1HA GLY 22 -3.580 0.940 7.305 117 2HA GLY 22 2HA GLY 22 -4.800 -0.066 8.096 118 HA PRO 23 HA PRO 23 -4.712 -3.100 5.218 119 1HB PRO 23 1HB PRO 23 -5.513 -2.142 2.731 120 2HB PRO 23 2HB PRO 23 -6.562 -2.507 4.120 121 1HG PRO 23 1HG PRO 23 -5.735 0.117 3.072 122 2HG PRO 23 2HG PRO 23 -7.102 -0.284 4.154 123 1HD PRO 23 1HD PRO 23 -4.557 0.839 4.713 124 2HD PRO 23 2HD PRO 23 -5.811 0.487 5.901 125 H CYS 24 H CYS 24 -3.198 -0.516 3.140 126 HA CYS 24 HA CYS 24 -0.984 -2.411 2.507 127 1HB CYS 24 1HB CYS 24 -1.771 0.214 1.334 128 2HB CYS 24 2HB CYS 24 -0.082 -0.029 1.626 129 H ALA 25 H ALA 25 -0.467 -2.748 4.671 130 HA ALA 25 HA ALA 25 1.296 -0.591 5.722 131 1HB ALA 25 1HB ALA 25 0.919 -1.456 8.007 132 2HB ALA 25 2HB ALA 25 -0.328 -2.545 7.354 133 3HB ALA 25 3HB ALA 25 -0.546 -0.770 7.252 134 H ASN 26 H ASN 26 0.734 -4.143 5.518 135 HA ASN 26 HA ASN 26 3.448 -4.607 6.358 136 1HB ASN 26 1HB ASN 26 1.366 -6.452 5.083 137 2HB ASN 26 2HB ASN 26 2.917 -7.001 5.712 138 1HD2 ASN 26 2HD2 ASN 26 2.731 -7.871 7.810 139 2HD2 ASN 26 1HD2 ASN 26 1.420 -7.435 8.890 140 H CYS 27 H CYS 27 1.782 -4.093 3.337 141 HA CYS 27 HA CYS 27 3.960 -4.736 1.526 142 1HB CYS 27 1HB CYS 27 1.683 -2.788 0.954 143 2HB CYS 27 2HB CYS 27 2.845 -3.464 -0.131 144 H LEU 28 H LEU 28 4.142 -2.588 4.040 145 HA LEU 28 HA LEU 28 5.788 -0.630 2.516 146 1HB LEU 28 1HB LEU 28 4.504 -0.363 5.273 147 2HB LEU 28 2HB LEU 28 5.472 0.803 4.525 148 HG LEU 28 HG LEU 28 2.711 0.617 4.497 149 1HD1 LEU 28 1HD1 LEU 28 4.033 2.634 4.450 150 2HD1 LEU 28 2HD1 LEU 28 4.494 2.320 2.761 151 3HD1 LEU 28 3HD1 LEU 28 2.798 2.672 3.183 152 1HD2 LEU 28 1HD2 LEU 28 3.539 0.126 1.653 153 2HD2 LEU 28 2HD2 LEU 28 2.497 -0.914 2.684 154 3HD2 LEU 28 3HD2 LEU 28 1.938 0.660 2.266 155 H ALA 29 H ALA 29 5.541 -2.066 5.771 156 HA ALA 29 HA ALA 29 8.131 -1.367 6.492 157 1HB ALA 29 1HB ALA 29 7.725 -2.758 8.471 158 2HB ALA 29 2HB ALA 29 6.372 -3.562 7.650 159 3HB ALA 29 3HB ALA 29 6.284 -1.822 8.045 160 H GLY 30 H GLY 30 7.246 -4.134 4.638 161 1HA GLY 30 1HA GLY 30 8.999 -6.152 5.077 162 2HA GLY 30 2HA GLY 30 10.057 -4.881 4.440 163 H TYR 31 H TYR 31 9.449 -3.873 2.322 164 HA TYR 31 HA TYR 31 7.434 -5.492 0.791 165 1HB TYR 31 1HB TYR 31 6.683 -3.570 0.045 166 2HB TYR 31 2HB TYR 31 7.215 -3.013 1.607 167 HD1 TYR 31 HD1 TYR 31 10.288 -2.998 0.464 168 HD2 TYR 31 HD2 TYR 31 6.528 -1.277 -0.571 169 HE1 TYR 31 HE1 TYR 31 11.472 -1.226 -0.744 170 HE2 TYR 31 HE2 TYR 31 7.637 0.611 -1.766 171 HH TYR 31 HH TYR 31 11.278 0.687 -2.036 172 HA PRO 32 HA PRO 32 11.357 -5.555 -1.715 173 1HB PRO 32 1HB PRO 32 12.583 -7.998 -1.281 174 2HB PRO 32 2HB PRO 32 12.838 -6.594 -0.216 175 1HG PRO 32 1HG PRO 32 10.872 -8.876 0.160 176 2HG PRO 32 2HG PRO 32 12.037 -8.186 1.352 177 1HD PRO 32 1HD PRO 32 9.418 -7.449 1.290 178 2HD PRO 32 2HD PRO 32 10.729 -6.304 1.699 179 H ALA 33 H ALA 33 8.556 -7.329 -1.418 180 HA ALA 33 HA ALA 33 8.731 -8.466 -4.145 181 1HB ALA 33 1HB ALA 33 7.178 -10.240 -3.418 182 2HB ALA 33 2HB ALA 33 8.690 -10.299 -2.493 183 3HB ALA 33 3HB ALA 33 7.215 -9.599 -1.761 184 H GLY 34 H GLY 34 7.380 -5.924 -2.374 185 1HA GLY 34 1HA GLY 34 5.286 -4.872 -2.357 186 2HA GLY 34 2HA GLY 34 4.588 -6.406 -2.837 187 H CYS 35 H CYS 35 7.035 -4.703 -4.775 188 HA CYS 35 HA CYS 35 5.391 -3.647 -6.773 189 1HB CYS 35 1HB CYS 35 8.094 -4.993 -7.147 190 2HB CYS 35 2HB CYS 35 7.427 -3.708 -8.146 191 H SER 36 H SER 36 6.082 -7.097 -6.101 192 HA SER 36 HA SER 36 5.176 -7.855 -8.728 193 1HB SER 36 1HB SER 36 5.802 -9.976 -8.093 194 2HB SER 36 2HB SER 36 7.024 -8.960 -7.378 195 HG SER 36 HG SER 36 5.846 -9.182 -5.371 196 H ASN 37 H ASN 37 3.888 -7.415 -5.466 197 HA ASN 37 HA ASN 37 1.483 -9.019 -5.882 198 1HB ASN 37 1HB ASN 37 2.841 -7.748 -3.573 199 2HB ASN 37 2HB ASN 37 1.140 -7.381 -3.575 200 1HD2 ASN 37 2HD2 ASN 37 -0.421 -8.916 -3.006 201 2HD2 ASN 37 1HD2 ASN 37 -0.008 -10.589 -2.809 202 H SER 38 H SER 38 0.264 -8.074 -7.566 203 HA SER 38 HA SER 38 0.217 -5.374 -8.156 204 1HB SER 38 1HB SER 38 -1.333 -7.700 -8.986 205 2HB SER 38 2HB SER 38 -2.270 -6.205 -9.061 206 HG SER 38 HG SER 38 0.386 -6.399 -10.070 207 H ASP 39 H ASP 39 -1.971 -6.997 -5.875 208 HA ASP 39 HA ASP 39 -3.823 -5.077 -5.245 209 1HB ASP 39 1HB ASP 39 -3.786 -7.294 -4.291 210 2HB ASP 39 2HB ASP 39 -2.259 -6.978 -3.483 211 H CYS 40 H CYS 40 -0.441 -5.169 -4.336 212 HA CYS 40 HA CYS 40 -0.690 -2.782 -2.600 213 1HB CYS 40 1HB CYS 40 1.340 -5.050 -2.765 214 2HB CYS 40 2HB CYS 40 1.683 -3.534 -1.923 215 H THR 41 H THR 41 1.102 -4.113 -5.406 216 HA THR 41 HA THR 41 2.950 -2.231 -6.003 217 HB THR 41 HB THR 41 0.883 -3.566 -7.778 218 HG1 THR 41 HG1 THR 41 2.735 -4.704 -6.364 219 1HG2 THR 41 1HG2 THR 41 2.055 -1.793 -9.042 220 2HG2 THR 41 2HG2 THR 41 3.587 -2.632 -8.697 221 3HG2 THR 41 3HG2 THR 41 2.304 -3.450 -9.635 222 H ALA 42 H ALA 42 -0.592 -1.999 -6.804 223 HA ALA 42 HA ALA 42 -0.258 0.327 -8.373 224 1HB ALA 42 1HB ALA 42 -2.212 -1.146 -8.554 225 2HB ALA 42 2HB ALA 42 -2.676 0.537 -8.211 226 3HB ALA 42 3HB ALA 42 -2.738 -0.670 -6.911 227 H PHE 43 H PHE 43 -0.823 -0.025 -4.898 228 HA PHE 43 HA PHE 43 -1.130 2.831 -4.361 229 1HB PHE 43 1HB PHE 43 -2.217 1.405 -2.841 230 2HB PHE 43 2HB PHE 43 -0.870 0.308 -2.771 231 HD1 PHE 43 HD1 PHE 43 1.216 0.843 -1.567 232 HD2 PHE 43 HD2 PHE 43 -2.481 2.933 -0.964 233 HE1 PHE 43 HE1 PHE 43 2.122 1.806 0.511 234 HE2 PHE 43 HE2 PHE 43 -1.620 3.735 1.219 235 HZ PHE 43 HZ PHE 43 0.656 3.134 1.990 236 H LEU 44 H LEU 44 1.436 0.276 -3.719 237 HA LEU 44 HA LEU 44 3.235 1.972 -2.776 238 1HB LEU 44 1HB LEU 44 3.910 -0.449 -4.502 239 2HB LEU 44 2HB LEU 44 5.006 0.370 -3.443 240 HG LEU 44 HG LEU 44 2.550 -1.171 -2.510 241 1HD1 LEU 44 1HD1 LEU 44 4.235 -2.594 -3.596 242 2HD1 LEU 44 2HD1 LEU 44 5.490 -1.910 -2.560 243 3HD1 LEU 44 3HD1 LEU 44 4.183 -2.861 -1.832 244 1HD2 LEU 44 1HD2 LEU 44 3.331 0.746 -1.027 245 2HD2 LEU 44 2HD2 LEU 44 3.263 -0.869 -0.343 246 3HD2 LEU 44 3HD2 LEU 44 4.817 -0.158 -0.831 247 H SER 45 H SER 45 2.588 1.501 -6.144 248 HA SER 45 HA SER 45 4.623 2.697 -7.568 249 1HB SER 45 1HB SER 45 2.473 1.635 -8.409 250 2HB SER 45 2HB SER 45 1.598 3.046 -7.974 251 HG SER 45 HG SER 45 2.967 4.209 -9.529 252 H GLN 46 H GLN 46 1.857 4.378 -5.989 253 HA GLN 46 HA GLN 46 3.076 7.022 -6.464 254 1HB GLN 46 1HB GLN 46 0.494 6.060 -5.135 255 2HB GLN 46 2HB GLN 46 0.994 7.728 -5.113 256 1HG GLN 46 1HG GLN 46 -0.311 7.762 -7.015 257 2HG GLN 46 2HG GLN 46 1.268 7.462 -7.721 258 1HE2 GLN 46 2HE2 GLN 46 -1.289 5.498 -6.206 259 2HE2 GLN 46 1HE2 GLN 46 -1.083 4.121 -7.277 260 H CYS 47 H CYS 47 2.486 4.786 -3.764 261 HA CYS 47 HA CYS 47 3.075 6.714 -1.805 262 1HB CYS 47 1HB CYS 47 1.816 4.427 -1.670 263 2HB CYS 47 2HB CYS 47 3.404 3.732 -1.304 264 H TYR 48 H TYR 48 5.230 4.533 -3.476 265 HA TYR 48 HA TYR 48 7.554 5.557 -1.886 266 1HB TYR 48 1HB TYR 48 7.088 2.781 -2.957 267 2HB TYR 48 2HB TYR 48 8.628 3.454 -2.413 268 HD1 TYR 48 HD1 TYR 48 9.181 4.044 -0.209 269 HD2 TYR 48 HD2 TYR 48 5.481 2.097 -1.224 270 HE1 TYR 48 HE1 TYR 48 9.008 3.186 2.119 271 HE2 TYR 48 HE2 TYR 48 5.407 1.072 1.033 272 HH TYR 48 HH TYR 48 8.124 1.354 3.276 273 H GLY 49 H GLY 49 6.307 4.415 -5.064 274 1HA GLY 49 1HA GLY 49 8.784 5.443 -6.392 275 2HA GLY 49 2HA GLY 49 7.149 5.743 -6.980 276 H GLY 50 H GLY 50 7.093 2.700 -5.695 277 1HA GLY 50 1HA GLY 50 6.942 1.393 -8.269 278 2HA GLY 50 2HA GLY 50 6.745 0.679 -6.657 279 H CYS 51 H CYS 51 8.718 0.522 -5.378 280 HA CYS 51 HA CYS 51 10.612 -0.593 -4.876 281 1HB CYS 51 1HB CYS 51 10.651 -1.260 -7.804 282 2HB CYS 51 2HB CYS 51 12.028 -1.530 -6.813 No H/Q in entry = 282 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -8.623 -6.163 -3.279 2 H2 GLY 1 H2 GLY 1 -7.002 -6.123 -3.520 3 H3 GLY 1 H3 GLY 1 -7.825 -7.551 -3.695 4 1HA GLY 1 1HA GLY 1 -6.545 -7.331 -1.599 5 2HA GLY 1 2HA GLY 1 -8.270 -7.716 -1.423 6 H GLU 2 H GLU 2 -7.208 -6.603 0.774 7 HA GLU 2 HA GLU 2 -8.820 -4.421 1.369 8 1HB GLU 2 1HB GLU 2 -6.145 -5.356 2.477 9 2HB GLU 2 2HB GLU 2 -7.002 -4.015 3.195 10 1HG GLU 2 1HG GLU 2 -8.119 -6.815 2.934 11 2HG GLU 2 2HG GLU 2 -7.292 -6.063 4.304 12 H CYS 3 H CYS 3 -5.468 -4.396 0.376 13 HA CYS 3 HA CYS 3 -5.065 -1.566 0.626 14 1HB CYS 3 1HB CYS 3 -3.191 -3.113 0.472 15 2HB CYS 3 2HB CYS 3 -3.593 -3.457 -1.213 16 H GLU 4 H GLU 4 -5.895 -3.435 -2.387 17 HA GLU 4 HA GLU 4 -6.437 -1.180 -4.037 18 1HB GLU 4 1HB GLU 4 -7.729 -3.930 -3.959 19 2HB GLU 4 2HB GLU 4 -8.083 -2.728 -5.200 20 1HG GLU 4 1HG GLU 4 -5.790 -2.735 -5.981 21 2HG GLU 4 2HG GLU 4 -5.306 -3.799 -4.653 22 H GLN 5 H GLN 5 -8.467 -2.884 -1.672 23 HA GLN 5 HA GLN 5 -10.879 -1.544 -2.259 24 1HB GLN 5 1HB GLN 5 -10.391 -3.764 -0.970 25 2HB GLN 5 2HB GLN 5 -10.136 -2.741 0.448 26 1HG GLN 5 1HG GLN 5 -12.376 -3.678 0.388 27 2HG GLN 5 2HG GLN 5 -12.437 -1.929 0.256 28 1HE2 GLN 5 2HE2 GLN 5 -14.019 -1.313 -1.220 29 2HE2 GLN 5 1HE2 GLN 5 -14.238 -2.054 -2.800 30 H CYS 6 H CYS 6 -8.124 -0.559 -0.325 31 HA CYS 6 HA CYS 6 -9.533 1.645 1.017 32 1HB CYS 6 1HB CYS 6 -7.576 0.434 1.960 33 2HB CYS 6 2HB CYS 6 -6.549 1.161 0.721 34 H PHE 7 H PHE 7 -7.326 1.216 -1.782 35 HA PHE 7 HA PHE 7 -7.298 3.954 -2.631 36 1HB PHE 7 1HB PHE 7 -6.690 1.265 -3.807 37 2HB PHE 7 2HB PHE 7 -7.254 2.456 -4.964 38 HD1 PHE 7 HD1 PHE 7 -4.831 2.278 -2.054 39 HD2 PHE 7 HD2 PHE 7 -5.622 3.755 -6.046 40 HE1 PHE 7 HE1 PHE 7 -2.652 3.455 -2.098 41 HE2 PHE 7 HE2 PHE 7 -3.411 4.815 -6.104 42 HZ PHE 7 HZ PHE 7 -1.949 4.716 -4.094 43 H SER 8 H SER 8 -9.554 1.271 -3.251 44 HA SER 8 HA SER 8 -11.330 2.567 -4.987 45 1HB SER 8 1HB SER 8 -11.164 0.119 -4.485 46 2HB SER 8 2HB SER 8 -11.979 0.406 -2.931 47 HG SER 8 HG SER 8 -13.811 0.868 -3.937 48 H ASP 9 H ASP 9 -11.308 2.509 -1.324 49 HA ASP 9 HA ASP 9 -13.582 4.427 -1.336 50 1HB ASP 9 1HB ASP 9 -12.010 3.011 0.835 51 2HB ASP 9 2HB ASP 9 -13.090 4.353 1.197 52 H GLY 10 H GLY 10 -10.961 5.071 -2.611 53 1HA GLY 10 1HA GLY 10 -11.188 7.839 -2.056 54 2HA GLY 10 2HA GLY 10 -10.037 7.076 -3.140 55 H GLY 11 H GLY 11 -8.308 5.695 -1.669 56 1HA GLY 11 1HA GLY 11 -6.936 6.107 0.396 57 2HA GLY 11 2HA GLY 11 -7.041 7.836 -0.051 58 H ASP 12 H ASP 12 -4.679 7.767 -0.155 59 HA ASP 12 HA ASP 12 -3.714 6.705 -2.804 60 1HB ASP 12 1HB ASP 12 -3.558 9.361 -1.505 61 2HB ASP 12 2HB ASP 12 -2.045 8.808 -2.189 62 H CYS 13 H CYS 13 -2.535 7.666 0.435 63 HA CYS 13 HA CYS 13 -1.032 5.197 0.587 64 1HB CYS 13 1HB CYS 13 0.631 6.418 -0.679 65 2HB CYS 13 2HB CYS 13 0.554 7.797 0.428 66 H THR 14 H THR 14 -1.125 8.548 1.956 67 HA THR 14 HA THR 14 -0.428 7.823 4.587 68 HB THR 14 HB THR 14 -2.217 10.166 3.883 69 HG1 THR 14 HG1 THR 14 0.539 9.862 3.236 70 1HG2 THR 14 1HG2 THR 14 -1.419 9.915 6.228 71 2HG2 THR 14 2HG2 THR 14 0.261 9.901 5.660 72 3HG2 THR 14 3HG2 THR 14 -0.742 11.353 5.452 73 H THR 15 H THR 15 -3.649 8.467 3.124 74 HA THR 15 HA THR 15 -4.953 7.613 5.547 75 HB THR 15 HB THR 15 -5.325 9.512 3.779 76 HG1 THR 15 HG1 THR 15 -6.814 8.572 5.637 77 1HG2 THR 15 1HG2 THR 15 -5.613 8.129 1.816 78 2HG2 THR 15 2HG2 THR 15 -7.160 7.539 2.461 79 3HG2 THR 15 3HG2 THR 15 -6.946 9.259 2.114 80 H CYS 16 H CYS 16 -3.427 5.570 4.336 81 HA CYS 16 HA CYS 16 -5.234 3.266 4.396 82 1HB CYS 16 1HB CYS 16 -3.438 3.852 1.990 83 2HB CYS 16 2HB CYS 16 -4.171 2.289 2.329 84 H PHE 17 H PHE 17 -2.083 4.798 4.780 85 HA PHE 17 HA PHE 17 -0.804 2.279 5.540 86 1HB PHE 17 1HB PHE 17 0.476 4.086 4.412 87 2HB PHE 17 2HB PHE 17 0.123 5.166 5.765 88 HD1 PHE 17 HD1 PHE 17 1.385 1.697 5.209 89 HD2 PHE 17 HD2 PHE 17 1.898 5.372 7.375 90 HE1 PHE 17 HE1 PHE 17 3.234 0.642 6.540 91 HE2 PHE 17 HE2 PHE 17 3.792 4.373 8.606 92 HZ PHE 17 HZ PHE 17 4.476 1.997 8.178 93 H ASN 18 H ASN 18 -2.183 5.216 7.053 94 HA ASN 18 HA ASN 18 -2.921 5.652 9.152 95 1HB ASN 18 1HB ASN 18 -4.321 3.615 8.399 96 2HB ASN 18 2HB ASN 18 -3.192 2.727 9.463 97 1HD2 ASN 18 2HD2 ASN 18 -6.128 2.900 9.820 98 2HD2 ASN 18 1HD2 ASN 18 -6.438 3.967 11.179 99 H ASN 19 H ASN 19 -0.376 5.690 9.025 100 HA ASN 19 HA ASN 19 1.587 5.123 9.511 101 1HB ASN 19 1HB ASN 19 0.939 6.951 11.020 102 2HB ASN 19 2HB ASN 19 0.816 5.773 12.348 103 1HD2 ASN 19 2HD2 ASN 19 2.765 5.434 13.482 104 2HD2 ASN 19 1HD2 ASN 19 4.353 5.786 12.819 105 H GLY 20 H GLY 20 0.589 2.724 9.085 106 1HA GLY 20 1HA GLY 20 2.428 1.096 10.666 107 2HA GLY 20 2HA GLY 20 1.849 0.782 9.045 108 H THR 21 H THR 21 -0.934 1.661 10.420 109 HA THR 21 HA THR 21 -1.742 -1.068 11.180 110 HB THR 21 HB THR 21 -3.112 0.196 13.061 111 HG1 THR 21 HG1 THR 21 -1.819 2.243 12.277 112 1HG2 THR 21 1HG2 THR 21 -0.147 -0.414 13.258 113 2HG2 THR 21 2HG2 THR 21 -1.260 -0.283 14.641 114 3HG2 THR 21 3HG2 THR 21 -1.465 -1.580 13.447 115 H GLY 22 H GLY 22 -2.092 -0.313 8.768 116 1HA GLY 22 1HA GLY 22 -3.827 1.299 7.590 117 2HA GLY 22 2HA GLY 22 -4.956 0.228 8.447 118 HA PRO 23 HA PRO 23 -5.098 -2.794 5.643 119 1HB PRO 23 1HB PRO 23 -6.367 -2.016 3.350 120 2HB PRO 23 2HB PRO 23 -7.134 -1.935 4.953 121 1HG PRO 23 1HG PRO 23 -5.704 0.295 3.481 122 2HG PRO 23 2HG PRO 23 -7.330 0.334 4.234 123 1HD PRO 23 1HD PRO 23 -5.188 1.282 5.565 124 2HD PRO 23 2HD PRO 23 -6.388 0.343 6.413 125 H CYS 24 H CYS 24 -3.043 -0.406 4.452 126 HA CYS 24 HA CYS 24 -1.794 -2.451 2.641 127 1HB CYS 24 1HB CYS 24 -2.792 -0.210 1.615 128 2HB CYS 24 2HB CYS 24 -1.203 0.394 2.097 129 H ALA 25 H ALA 25 -1.379 -1.526 5.627 130 HA ALA 25 HA ALA 25 1.110 -0.220 5.834 131 1HB ALA 25 1HB ALA 25 -0.235 -2.232 7.662 132 2HB ALA 25 2HB ALA 25 -0.395 -0.455 7.729 133 3HB ALA 25 3HB ALA 25 1.163 -1.245 8.110 134 H ASN 26 H ASN 26 0.449 -3.731 5.604 135 HA ASN 26 HA ASN 26 3.183 -4.324 6.393 136 1HB ASN 26 1HB ASN 26 0.825 -6.013 5.468 137 2HB ASN 26 2HB ASN 26 2.447 -6.708 5.578 138 1HD2 ASN 26 2HD2 ASN 26 -0.410 -5.978 7.455 139 2HD2 ASN 26 1HD2 ASN 26 0.375 -6.143 9.002 140 H CYS 27 H CYS 27 1.663 -3.558 3.401 141 HA CYS 27 HA CYS 27 3.633 -4.759 1.605 142 1HB CYS 27 1HB CYS 27 1.605 -2.590 1.050 143 2HB CYS 27 2HB CYS 27 2.722 -3.331 -0.077 144 H LEU 28 H LEU 28 4.255 -2.583 3.998 145 HA LEU 28 HA LEU 28 6.043 -0.867 2.338 146 1HB LEU 28 1HB LEU 28 4.896 -0.353 5.119 147 2HB LEU 28 2HB LEU 28 5.947 0.685 4.227 148 HG LEU 28 HG LEU 28 3.104 0.602 4.255 149 1HD1 LEU 28 1HD1 LEU 28 4.619 2.561 4.302 150 2HD1 LEU 28 2HD1 LEU 28 5.009 2.278 2.591 151 3HD1 LEU 28 3HD1 LEU 28 3.355 2.725 3.074 152 1HD2 LEU 28 1HD2 LEU 28 4.116 0.180 1.468 153 2HD2 LEU 28 2HD2 LEU 28 2.919 -0.797 2.347 154 3HD2 LEU 28 3HD2 LEU 28 2.504 0.803 1.919 155 H ALA 29 H ALA 29 5.842 -2.308 5.601 156 HA ALA 29 HA ALA 29 8.222 -1.331 6.508 157 1HB ALA 29 1HB ALA 29 8.064 -3.042 8.304 158 2HB ALA 29 2HB ALA 29 6.835 -3.914 7.360 159 3HB ALA 29 3HB ALA 29 6.500 -2.273 7.966 160 H GLY 30 H GLY 30 7.731 -4.585 5.182 161 1HA GLY 30 1HA GLY 30 9.806 -6.036 4.959 162 2HA GLY 30 2HA GLY 30 10.513 -4.598 4.167 163 H TYR 31 H TYR 31 9.981 -4.243 2.026 164 HA TYR 31 HA TYR 31 7.630 -5.703 0.868 165 1HB TYR 31 1HB TYR 31 6.861 -3.689 -0.002 166 2HB TYR 31 2HB TYR 31 7.341 -3.250 1.617 167 HD1 TYR 31 HD1 TYR 31 6.799 -1.484 -0.735 168 HD2 TYR 31 HD2 TYR 31 10.476 -3.227 0.615 169 HE1 TYR 31 HE1 TYR 31 8.064 0.098 -2.192 170 HE2 TYR 31 HE2 TYR 31 11.765 -1.486 -0.578 171 HH TYR 31 HH TYR 31 11.645 -0.062 -2.395 172 HA PRO 32 HA PRO 32 11.534 -5.701 -1.653 173 1HB PRO 32 1HB PRO 32 12.393 -8.327 -1.583 174 2HB PRO 32 2HB PRO 32 12.861 -7.075 -0.409 175 1HG PRO 32 1HG PRO 32 10.750 -9.219 -0.139 176 2HG PRO 32 2HG PRO 32 11.915 -8.588 1.086 177 1HD PRO 32 1HD PRO 32 9.298 -7.790 1.000 178 2HD PRO 32 2HD PRO 32 10.665 -6.790 1.574 179 H ALA 33 H ALA 33 8.870 -7.906 -1.580 180 HA ALA 33 HA ALA 33 8.885 -8.531 -4.474 181 1HB ALA 33 1HB ALA 33 7.260 -10.253 -3.720 182 2HB ALA 33 2HB ALA 33 8.770 -10.346 -2.781 183 3HB ALA 33 3HB ALA 33 7.328 -9.566 -2.071 184 H GLY 34 H GLY 34 7.621 -6.042 -2.606 185 1HA GLY 34 1HA GLY 34 5.639 -4.881 -2.463 186 2HA GLY 34 2HA GLY 34 4.844 -6.430 -2.709 187 H CYS 35 H CYS 35 6.962 -4.798 -5.070 188 HA CYS 35 HA CYS 35 4.965 -3.691 -6.717 189 1HB CYS 35 1HB CYS 35 7.600 -4.919 -7.564 190 2HB CYS 35 2HB CYS 35 6.652 -3.759 -8.490 191 H SER 36 H SER 36 5.904 -7.096 -6.407 192 HA SER 36 HA SER 36 4.660 -7.877 -8.921 193 1HB SER 36 1HB SER 36 6.611 -9.004 -7.837 194 2HB SER 36 2HB SER 36 5.549 -9.577 -6.544 195 HG SER 36 HG SER 36 6.047 -10.643 -8.919 196 H ASN 37 H ASN 37 3.728 -7.299 -5.616 197 HA ASN 37 HA ASN 37 1.342 -9.004 -5.637 198 1HB ASN 37 1HB ASN 37 2.866 -7.482 -3.569 199 2HB ASN 37 2HB ASN 37 1.165 -7.290 -3.414 200 1HD2 ASN 37 2HD2 ASN 37 -0.151 -8.858 -2.657 201 2HD2 ASN 37 1HD2 ASN 37 0.360 -10.497 -2.369 202 H SER 38 H SER 38 0.307 -8.037 -7.569 203 HA SER 38 HA SER 38 -0.262 -5.406 -8.014 204 1HB SER 38 1HB SER 38 -1.948 -7.724 -8.706 205 2HB SER 38 2HB SER 38 -1.926 -6.150 -9.511 206 HG SER 38 HG SER 38 -0.483 -8.154 -10.188 207 H ASP 39 H ASP 39 -1.493 -7.017 -5.310 208 HA ASP 39 HA ASP 39 -3.988 -5.540 -4.896 209 1HB ASP 39 1HB ASP 39 -3.497 -7.729 -3.831 210 2HB ASP 39 2HB ASP 39 -2.141 -7.027 -2.986 211 H CYS 40 H CYS 40 -0.560 -5.174 -4.265 212 HA CYS 40 HA CYS 40 -0.897 -2.699 -2.663 213 1HB CYS 40 1HB CYS 40 1.097 -4.998 -2.603 214 2HB CYS 40 2HB CYS 40 1.504 -3.432 -1.901 215 H THR 41 H THR 41 0.593 -4.092 -5.568 216 HA THR 41 HA THR 41 2.602 -2.446 -6.129 217 HB THR 41 HB THR 41 0.334 -3.479 -7.850 218 HG1 THR 41 HG1 THR 41 2.860 -4.666 -7.797 219 1HG2 THR 41 1HG2 THR 41 1.551 -1.886 -9.241 220 2HG2 THR 41 2HG2 THR 41 3.079 -2.736 -8.894 221 3HG2 THR 41 3HG2 THR 41 1.746 -3.579 -9.751 222 H ALA 42 H ALA 42 -0.883 -1.598 -6.884 223 HA ALA 42 HA ALA 42 -0.284 0.835 -8.142 224 1HB ALA 42 1HB ALA 42 -2.511 -0.209 -8.265 225 2HB ALA 42 2HB ALA 42 -2.616 1.466 -7.703 226 3HB ALA 42 3HB ALA 42 -2.781 0.137 -6.545 227 H PHE 43 H PHE 43 -1.003 0.224 -4.696 228 HA PHE 43 HA PHE 43 -0.677 2.919 -3.781 229 1HB PHE 43 1HB PHE 43 -1.731 1.233 -2.390 230 2HB PHE 43 2HB PHE 43 -0.289 0.252 -2.356 231 HD1 PHE 43 HD1 PHE 43 1.921 1.722 -1.500 232 HD2 PHE 43 HD2 PHE 43 -2.163 2.177 -0.234 233 HE1 PHE 43 HE1 PHE 43 2.725 2.632 0.566 234 HE2 PHE 43 HE2 PHE 43 -1.315 2.959 1.978 235 HZ PHE 43 HZ PHE 43 1.195 3.078 2.359 236 H LEU 44 H LEU 44 1.756 0.195 -3.793 237 HA LEU 44 HA LEU 44 3.787 1.854 -2.818 238 1HB LEU 44 1HB LEU 44 4.066 -0.621 -4.562 239 2HB LEU 44 2HB LEU 44 5.330 0.085 -3.576 240 HG LEU 44 HG LEU 44 2.736 -1.091 -2.493 241 1HD1 LEU 44 1HD1 LEU 44 5.573 -2.165 -2.572 242 2HD1 LEU 44 2HD1 LEU 44 4.236 -2.890 -1.654 243 3HD1 LEU 44 3HD1 LEU 44 4.152 -2.800 -3.419 244 1HD2 LEU 44 1HD2 LEU 44 3.648 0.745 -0.985 245 2HD2 LEU 44 2HD2 LEU 44 3.516 -0.853 -0.333 246 3HD2 LEU 44 3HD2 LEU 44 5.104 -0.240 -0.855 247 H SER 45 H SER 45 2.868 1.297 -6.192 248 HA SER 45 HA SER 45 4.928 2.648 -7.501 249 1HB SER 45 1HB SER 45 2.974 1.317 -8.414 250 2HB SER 45 2HB SER 45 1.989 2.760 -8.243 251 HG SER 45 HG SER 45 2.955 2.418 -10.317 252 H GLN 46 H GLN 46 1.969 3.957 -5.926 253 HA GLN 46 HA GLN 46 2.652 6.697 -6.417 254 1HB GLN 46 1HB GLN 46 1.010 5.786 -4.031 255 2HB GLN 46 2HB GLN 46 1.009 7.332 -4.836 256 1HG GLN 46 1HG GLN 46 -0.294 4.780 -5.633 257 2HG GLN 46 2HG GLN 46 -0.954 6.384 -5.555 258 1HE2 GLN 46 2HE2 GLN 46 -0.083 3.994 -7.637 259 2HE2 GLN 46 1HE2 GLN 46 0.164 4.924 -9.113 260 H CYS 47 H CYS 47 2.988 4.750 -3.432 261 HA CYS 47 HA CYS 47 4.127 7.052 -2.123 262 1HB CYS 47 1HB CYS 47 2.469 5.172 -1.283 263 2HB CYS 47 2HB CYS 47 3.961 4.393 -0.726 264 H TYR 48 H TYR 48 5.667 4.385 -3.627 265 HA TYR 48 HA TYR 48 8.282 5.044 -2.292 266 1HB TYR 48 1HB TYR 48 7.235 2.474 -3.486 267 2HB TYR 48 2HB TYR 48 8.931 2.823 -3.351 268 HD1 TYR 48 HD1 TYR 48 10.062 2.792 -1.205 269 HD2 TYR 48 HD2 TYR 48 5.827 2.147 -1.472 270 HE1 TYR 48 HE1 TYR 48 10.076 1.938 1.101 271 HE2 TYR 48 HE2 TYR 48 5.865 1.150 0.793 272 HH TYR 48 HH TYR 48 8.377 0.144 2.438 273 H GLY 49 H GLY 49 6.396 5.059 -5.225 274 1HA GLY 49 1HA GLY 49 8.730 5.825 -6.876 275 2HA GLY 49 2HA GLY 49 7.033 6.149 -7.270 276 H GLY 50 H GLY 50 7.261 3.124 -5.858 277 1HA GLY 50 1HA GLY 50 7.749 1.611 -8.370 278 2HA GLY 50 2HA GLY 50 6.968 0.970 -6.901 279 H CYS 51 H CYS 51 8.425 -0.523 -6.174 280 HA CYS 51 HA CYS 51 11.032 0.148 -5.217 281 1HB CYS 51 1HB CYS 51 11.311 -2.187 -4.891 282 2HB CYS 51 2HB CYS 51 9.736 -1.717 -4.275 No H/Q in entry = 282 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -8.363 -6.050 -3.063 2 H2 GLY 1 H2 GLY 1 -6.748 -5.802 -3.088 3 H3 GLY 1 H3 GLY 1 -7.341 -7.279 -3.502 4 1HA GLY 1 1HA GLY 1 -6.388 -7.253 -1.271 5 2HA GLY 1 2HA GLY 1 -8.124 -7.630 -1.260 6 H GLU 2 H GLU 2 -6.623 -6.451 0.981 7 HA GLU 2 HA GLU 2 -8.425 -4.349 1.608 8 1HB GLU 2 1HB GLU 2 -6.959 -3.858 3.550 9 2HB GLU 2 2HB GLU 2 -7.866 -5.351 3.439 10 1HG GLU 2 1HG GLU 2 -5.294 -5.888 2.359 11 2HG GLU 2 2HG GLU 2 -5.102 -5.006 3.874 12 H CYS 3 H CYS 3 -5.259 -4.160 0.046 13 HA CYS 3 HA CYS 3 -5.047 -1.315 0.541 14 1HB CYS 3 1HB CYS 3 -3.143 -2.855 0.199 15 2HB CYS 3 2HB CYS 3 -3.619 -3.047 -1.484 16 H GLU 4 H GLU 4 -6.038 -3.318 -2.303 17 HA GLU 4 HA GLU 4 -6.864 -1.217 -4.036 18 1HB GLU 4 1HB GLU 4 -7.882 -4.023 -3.556 19 2HB GLU 4 2HB GLU 4 -8.664 -2.957 -4.710 20 1HG GLU 4 1HG GLU 4 -6.601 -2.709 -5.974 21 2HG GLU 4 2HG GLU 4 -5.780 -3.838 -4.878 22 H GLN 5 H GLN 5 -8.665 -2.875 -1.390 23 HA GLN 5 HA GLN 5 -11.081 -1.532 -1.946 24 1HB GLN 5 1HB GLN 5 -10.836 -3.664 -0.640 25 2HB GLN 5 2HB GLN 5 -10.158 -2.741 0.709 26 1HG GLN 5 1HG GLN 5 -12.526 -3.288 1.056 27 2HG GLN 5 2HG GLN 5 -12.303 -1.541 0.981 28 1HE2 GLN 5 2HE2 GLN 5 -13.018 -0.429 -1.026 29 2HE2 GLN 5 1HE2 GLN 5 -13.997 -1.301 -2.215 30 H CYS 6 H CYS 6 -8.377 -0.631 0.139 31 HA CYS 6 HA CYS 6 -9.548 1.760 1.216 32 1HB CYS 6 1HB CYS 6 -7.510 0.695 2.088 33 2HB CYS 6 2HB CYS 6 -6.631 1.121 0.612 34 H PHE 7 H PHE 7 -7.461 1.166 -1.648 35 HA PHE 7 HA PHE 7 -7.349 3.725 -2.725 36 1HB PHE 7 1HB PHE 7 -6.917 0.998 -3.645 37 2HB PHE 7 2HB PHE 7 -7.696 1.917 -4.904 38 HD1 PHE 7 HD1 PHE 7 -6.218 2.927 -6.455 39 HD2 PHE 7 HD2 PHE 7 -4.942 2.419 -2.348 40 HE1 PHE 7 HE1 PHE 7 -4.027 3.930 -6.991 41 HE2 PHE 7 HE2 PHE 7 -2.797 3.447 -2.909 42 HZ PHE 7 HZ PHE 7 -2.320 4.244 -5.209 43 H SER 8 H SER 8 -9.950 1.286 -3.315 44 HA SER 8 HA SER 8 -11.498 2.977 -4.971 45 1HB SER 8 1HB SER 8 -12.312 0.625 -3.202 46 2HB SER 8 2HB SER 8 -13.349 1.379 -4.434 47 HG SER 8 HG SER 8 -11.646 0.936 -5.946 48 H ASP 9 H ASP 9 -11.212 3.148 -1.482 49 HA ASP 9 HA ASP 9 -13.571 4.975 -1.403 50 1HB ASP 9 1HB ASP 9 -13.700 3.062 0.142 51 2HB ASP 9 2HB ASP 9 -12.190 3.585 0.901 52 H GLY 10 H GLY 10 -11.165 5.724 -2.711 53 1HA GLY 10 1HA GLY 10 -10.874 8.297 -1.422 54 2HA GLY 10 2HA GLY 10 -10.117 7.752 -2.924 55 H GLY 11 H GLY 11 -8.932 5.344 -1.587 56 1HA GLY 11 1HA GLY 11 -6.993 4.751 -0.602 57 2HA GLY 11 2HA GLY 11 -6.971 6.266 0.333 58 H ASP 12 H ASP 12 -4.809 6.921 -0.106 59 HA ASP 12 HA ASP 12 -3.926 6.950 -2.955 60 1HB ASP 12 1HB ASP 12 -2.567 9.043 -2.328 61 2HB ASP 12 2HB ASP 12 -4.253 9.202 -2.733 62 H CYS 13 H CYS 13 -2.096 8.076 -0.199 63 HA CYS 13 HA CYS 13 -0.374 5.666 -0.130 64 1HB CYS 13 1HB CYS 13 0.841 6.863 -1.712 65 2HB CYS 13 2HB CYS 13 0.413 8.409 -1.016 66 H THR 14 H THR 14 -0.991 9.030 1.095 67 HA THR 14 HA THR 14 -0.013 8.545 3.717 68 HB THR 14 HB THR 14 -2.344 10.372 3.016 69 HG1 THR 14 HG1 THR 14 -0.977 11.277 1.762 70 1HG2 THR 14 1HG2 THR 14 -0.156 10.436 5.129 71 2HG2 THR 14 2HG2 THR 14 -1.347 11.723 4.856 72 3HG2 THR 14 3HG2 THR 14 -1.885 10.135 5.424 73 H THR 15 H THR 15 -3.344 8.341 2.292 74 HA THR 15 HA THR 15 -4.237 7.549 4.949 75 HB THR 15 HB THR 15 -4.943 9.491 3.387 76 HG1 THR 15 HG1 THR 15 -7.222 8.962 4.409 77 1HG2 THR 15 1HG2 THR 15 -5.725 8.150 1.463 78 2HG2 THR 15 2HG2 THR 15 -7.087 7.573 2.455 79 3HG2 THR 15 3HG2 THR 15 -6.908 9.296 2.106 80 H CYS 16 H CYS 16 -2.920 5.461 3.653 81 HA CYS 16 HA CYS 16 -4.983 3.385 4.053 82 1HB CYS 16 1HB CYS 16 -3.065 3.336 1.682 83 2HB CYS 16 2HB CYS 16 -4.064 1.994 2.196 84 H PHE 17 H PHE 17 -2.811 4.608 5.639 85 HA PHE 17 HA PHE 17 -1.034 2.229 5.886 86 1HB PHE 17 1HB PHE 17 0.166 4.227 4.931 87 2HB PHE 17 2HB PHE 17 -0.232 5.088 6.421 88 HD1 PHE 17 HD1 PHE 17 1.897 5.399 7.527 89 HD2 PHE 17 HD2 PHE 17 0.892 1.568 5.894 90 HE1 PHE 17 HE1 PHE 17 3.903 4.386 8.604 91 HE2 PHE 17 HE2 PHE 17 2.818 0.545 6.981 92 HZ PHE 17 HZ PHE 17 4.334 1.933 8.385 93 H ASN 18 H ASN 18 -2.807 4.803 7.602 94 HA ASN 18 HA ASN 18 -3.272 5.132 9.802 95 1HB ASN 18 1HB ASN 18 -4.475 2.959 9.070 96 2HB ASN 18 2HB ASN 18 -3.180 2.116 9.951 97 1HD2 ASN 18 2HD2 ASN 18 -5.226 1.261 10.988 98 2HD2 ASN 18 1HD2 ASN 18 -5.893 2.101 12.342 99 H ASN 19 H ASN 19 -0.450 5.058 9.178 100 HA ASN 19 HA ASN 19 1.568 4.527 9.814 101 1HB ASN 19 1HB ASN 19 0.917 6.373 11.358 102 2HB ASN 19 2HB ASN 19 0.832 5.155 12.645 103 1HD2 ASN 19 2HD2 ASN 19 3.086 6.557 10.150 104 2HD2 ASN 19 1HD2 ASN 19 4.529 6.036 10.974 105 H GLY 20 H GLY 20 0.875 2.271 9.159 106 1HA GLY 20 1HA GLY 20 2.513 0.656 10.908 107 2HA GLY 20 2HA GLY 20 1.969 0.256 9.306 108 H THR 21 H THR 21 -0.921 0.855 10.182 109 HA THR 21 HA THR 21 -1.562 -1.795 11.207 110 HB THR 21 HB THR 21 -0.918 -0.830 13.198 111 HG1 THR 21 HG1 THR 21 -2.940 -0.819 14.350 112 1HG2 THR 21 1HG2 THR 21 -2.848 1.350 12.547 113 2HG2 THR 21 2HG2 THR 21 -2.031 1.147 14.133 114 3HG2 THR 21 3HG2 THR 21 -1.074 1.442 12.684 115 H GLY 22 H GLY 22 -1.980 -0.737 8.708 116 1HA GLY 22 1HA GLY 22 -3.844 0.905 7.861 117 2HA GLY 22 2HA GLY 22 -4.887 -0.387 8.490 118 HA PRO 23 HA PRO 23 -5.236 -2.638 5.244 119 1HB PRO 23 1HB PRO 23 -6.279 -1.347 3.061 120 2HB PRO 23 2HB PRO 23 -7.095 -1.408 4.647 121 1HG PRO 23 1HG PRO 23 -5.365 0.781 3.476 122 2HG PRO 23 2HG PRO 23 -6.954 0.952 4.296 123 1HD PRO 23 1HD PRO 23 -4.590 1.370 5.595 124 2HD PRO 23 2HD PRO 23 -5.982 0.657 6.401 125 H CYS 24 H CYS 24 -2.823 -0.433 4.304 126 HA CYS 24 HA CYS 24 -1.805 -2.495 2.354 127 1HB CYS 24 1HB CYS 24 -2.505 -0.001 1.553 128 2HB CYS 24 2HB CYS 24 -0.832 0.275 2.003 129 H ALA 25 H ALA 25 -1.377 -1.583 5.442 130 HA ALA 25 HA ALA 25 1.120 -0.366 5.574 131 1HB ALA 25 1HB ALA 25 -0.304 -2.153 7.593 132 2HB ALA 25 2HB ALA 25 -0.418 -0.371 7.469 133 3HB ALA 25 3HB ALA 25 1.104 -1.156 7.967 134 H ASN 26 H ASN 26 0.461 -3.862 5.617 135 HA ASN 26 HA ASN 26 3.228 -4.362 6.292 136 1HB ASN 26 1HB ASN 26 0.906 -6.187 5.588 137 2HB ASN 26 2HB ASN 26 2.563 -6.795 5.730 138 1HD2 ASN 26 2HD2 ASN 26 1.694 -8.086 7.662 139 2HD2 ASN 26 1HD2 ASN 26 1.776 -7.228 9.192 140 H CYS 27 H CYS 27 1.745 -3.497 3.353 141 HA CYS 27 HA CYS 27 3.733 -4.700 1.592 142 1HB CYS 27 1HB CYS 27 2.009 -2.252 1.050 143 2HB CYS 27 2HB CYS 27 2.858 -3.221 -0.098 144 H LEU 28 H LEU 28 4.112 -2.461 4.065 145 HA LEU 28 HA LEU 28 5.892 -0.664 2.481 146 1HB LEU 28 1HB LEU 28 4.664 -0.254 5.220 147 2HB LEU 28 2HB LEU 28 5.704 0.843 4.396 148 HG LEU 28 HG LEU 28 2.890 0.760 4.421 149 1HD1 LEU 28 1HD1 LEU 28 4.365 2.729 4.404 150 2HD1 LEU 28 2HD1 LEU 28 4.731 2.421 2.684 151 3HD1 LEU 28 3HD1 LEU 28 3.077 2.843 3.198 152 1HD2 LEU 28 1HD2 LEU 28 2.800 -0.738 2.510 153 2HD2 LEU 28 2HD2 LEU 28 2.207 0.819 2.132 154 3HD2 LEU 28 3HD2 LEU 28 3.855 0.360 1.579 155 H ALA 29 H ALA 29 5.772 -2.194 5.749 156 HA ALA 29 HA ALA 29 8.305 -1.320 6.532 157 1HB ALA 29 1HB ALA 29 8.179 -3.172 8.222 158 2HB ALA 29 2HB ALA 29 6.675 -3.718 7.449 159 3HB ALA 29 3HB ALA 29 6.775 -2.109 8.200 160 H GLY 30 H GLY 30 7.466 -4.638 5.485 161 1HA GLY 30 1HA GLY 30 9.242 -6.307 5.124 162 2HA GLY 30 2HA GLY 30 10.263 -5.004 4.497 163 H TYR 31 H TYR 31 9.619 -3.931 2.463 164 HA TYR 31 HA TYR 31 7.505 -5.466 0.959 165 1HB TYR 31 1HB TYR 31 6.846 -3.555 0.133 166 2HB TYR 31 2HB TYR 31 7.356 -2.966 1.704 167 HD1 TYR 31 HD1 TYR 31 10.441 -3.071 0.647 168 HD2 TYR 31 HD2 TYR 31 6.768 -1.266 -0.566 169 HE1 TYR 31 HE1 TYR 31 11.716 -1.369 -0.570 170 HE2 TYR 31 HE2 TYR 31 7.982 0.505 -1.849 171 HH TYR 31 HH TYR 31 10.209 1.058 -2.734 172 HA PRO 32 HA PRO 32 11.422 -5.706 -1.486 173 1HB PRO 32 1HB PRO 32 12.583 -8.179 -0.995 174 2HB PRO 32 2HB PRO 32 12.869 -6.747 0.027 175 1HG PRO 32 1HG PRO 32 10.844 -8.971 0.469 176 2HG PRO 32 2HG PRO 32 12.029 -8.286 1.642 177 1HD PRO 32 1HD PRO 32 9.444 -7.461 1.575 178 2HD PRO 32 2HD PRO 32 10.800 -6.343 1.917 179 H ALA 33 H ALA 33 8.557 -7.411 -1.196 180 HA ALA 33 HA ALA 33 8.756 -8.617 -3.893 181 1HB ALA 33 1HB ALA 33 7.132 -10.318 -3.144 182 2HB ALA 33 2HB ALA 33 8.624 -10.391 -2.194 183 3HB ALA 33 3HB ALA 33 7.166 -9.629 -1.502 184 H GLY 34 H GLY 34 7.446 -5.995 -2.240 185 1HA GLY 34 1HA GLY 34 5.433 -4.836 -2.304 186 2HA GLY 34 2HA GLY 34 4.657 -6.369 -2.665 187 H CYS 35 H CYS 35 7.116 -4.732 -4.714 188 HA CYS 35 HA CYS 35 5.353 -3.823 -6.685 189 1HB CYS 35 1HB CYS 35 8.042 -4.972 -7.408 190 2HB CYS 35 2HB CYS 35 7.257 -3.548 -8.073 191 H SER 36 H SER 36 6.005 -7.184 -5.980 192 HA SER 36 HA SER 36 5.103 -7.985 -8.626 193 1HB SER 36 1HB SER 36 5.937 -10.048 -8.005 194 2HB SER 36 2HB SER 36 7.045 -8.933 -7.241 195 HG SER 36 HG SER 36 5.925 -9.270 -5.273 196 H ASN 37 H ASN 37 3.800 -7.208 -5.584 197 HA ASN 37 HA ASN 37 1.444 -9.004 -5.722 198 1HB ASN 37 1HB ASN 37 2.922 -7.623 -3.583 199 2HB ASN 37 2HB ASN 37 1.255 -7.139 -3.535 200 1HD2 ASN 37 2HD2 ASN 37 -0.379 -8.896 -3.711 201 2HD2 ASN 37 1HD2 ASN 37 -0.083 -10.352 -2.776 202 H SER 38 H SER 38 0.054 -8.166 -7.337 203 HA SER 38 HA SER 38 -0.081 -5.532 -8.156 204 1HB SER 38 1HB SER 38 -1.384 -7.894 -8.837 205 2HB SER 38 2HB SER 38 -2.710 -6.850 -8.315 206 HG SER 38 HG SER 38 -2.494 -6.002 -10.222 207 H ASP 39 H ASP 39 -1.922 -6.956 -5.389 208 HA ASP 39 HA ASP 39 -3.699 -4.801 -4.939 209 1HB ASP 39 1HB ASP 39 -3.922 -6.976 -3.839 210 2HB ASP 39 2HB ASP 39 -2.428 -6.726 -2.950 211 H CYS 40 H CYS 40 -0.290 -5.159 -4.112 212 HA CYS 40 HA CYS 40 -0.284 -2.813 -2.276 213 1HB CYS 40 1HB CYS 40 1.951 -4.626 -3.302 214 2HB CYS 40 2HB CYS 40 2.128 -3.350 -2.127 215 H THR 41 H THR 41 0.795 -3.952 -5.460 216 HA THR 41 HA THR 41 2.686 -2.201 -6.211 217 HB THR 41 HB THR 41 0.448 -3.515 -7.757 218 HG1 THR 41 HG1 THR 41 2.042 -4.807 -6.618 219 1HG2 THR 41 1HG2 THR 41 1.405 -1.706 -9.162 220 2HG2 THR 41 2HG2 THR 41 2.993 -2.496 -8.992 221 3HG2 THR 41 3HG2 THR 41 1.621 -3.367 -9.757 222 H ALA 42 H ALA 42 -0.877 -1.546 -6.798 223 HA ALA 42 HA ALA 42 -0.301 0.844 -8.194 224 1HB ALA 42 1HB ALA 42 -2.481 -0.208 -8.402 225 2HB ALA 42 2HB ALA 42 -2.682 1.446 -7.802 226 3HB ALA 42 3HB ALA 42 -2.829 0.090 -6.678 227 H PHE 43 H PHE 43 -0.801 0.269 -4.737 228 HA PHE 43 HA PHE 43 -0.792 3.050 -3.907 229 1HB PHE 43 1HB PHE 43 -1.846 1.375 -2.502 230 2HB PHE 43 2HB PHE 43 -0.405 0.392 -2.514 231 HD1 PHE 43 HD1 PHE 43 1.647 1.095 -1.414 232 HD2 PHE 43 HD2 PHE 43 -2.086 3.056 -0.670 233 HE1 PHE 43 HE1 PHE 43 2.673 2.273 0.518 234 HE2 PHE 43 HE2 PHE 43 -1.118 4.030 1.421 235 HZ PHE 43 HZ PHE 43 1.283 3.633 1.980 236 H LEU 44 H LEU 44 1.710 0.380 -3.853 237 HA LEU 44 HA LEU 44 3.648 2.105 -2.813 238 1HB LEU 44 1HB LEU 44 4.145 -0.368 -4.506 239 2HB LEU 44 2HB LEU 44 5.278 0.435 -3.494 240 HG LEU 44 HG LEU 44 2.766 -0.998 -2.539 241 1HD1 LEU 44 1HD1 LEU 44 5.677 -1.865 -2.576 242 2HD1 LEU 44 2HD1 LEU 44 4.363 -2.741 -1.766 243 3HD1 LEU 44 3HD1 LEU 44 4.362 -2.547 -3.539 244 1HD2 LEU 44 1HD2 LEU 44 3.690 0.891 -1.002 245 2HD2 LEU 44 2HD2 LEU 44 3.402 -0.716 -0.342 246 3HD2 LEU 44 3HD2 LEU 44 5.037 -0.196 -0.756 247 H SER 45 H SER 45 2.737 1.568 -6.102 248 HA SER 45 HA SER 45 4.705 3.005 -7.530 249 1HB SER 45 1HB SER 45 2.585 1.696 -8.340 250 2HB SER 45 2HB SER 45 1.727 3.194 -8.142 251 HG SER 45 HG SER 45 2.424 3.391 -10.131 252 H GLN 46 H GLN 46 1.620 4.382 -6.227 253 HA GLN 46 HA GLN 46 2.312 7.108 -6.407 254 1HB GLN 46 1HB GLN 46 0.345 5.552 -4.677 255 2HB GLN 46 2HB GLN 46 0.554 7.283 -4.501 256 1HG GLN 46 1HG GLN 46 0.101 7.576 -6.954 257 2HG GLN 46 2HG GLN 46 -0.288 5.843 -7.034 258 1HE2 GLN 46 2HE2 GLN 46 -2.429 6.224 -7.629 259 2HE2 GLN 46 1HE2 GLN 46 -3.630 6.877 -6.527 260 H CYS 47 H CYS 47 3.009 4.811 -3.843 261 HA CYS 47 HA CYS 47 3.707 6.968 -2.013 262 1HB CYS 47 1HB CYS 47 2.291 4.747 -1.704 263 2HB CYS 47 2HB CYS 47 3.863 4.073 -1.252 264 H TYR 48 H TYR 48 5.542 4.644 -3.847 265 HA TYR 48 HA TYR 48 8.076 5.415 -2.446 266 1HB TYR 48 1HB TYR 48 7.130 2.687 -3.304 267 2HB TYR 48 2HB TYR 48 8.786 3.097 -2.952 268 HD1 TYR 48 HD1 TYR 48 5.846 1.855 -1.511 269 HD2 TYR 48 HD2 TYR 48 9.212 4.404 -0.660 270 HE1 TYR 48 HE1 TYR 48 5.779 1.157 0.885 271 HE2 TYR 48 HE2 TYR 48 9.020 3.875 1.728 272 HH TYR 48 HH TYR 48 7.846 2.721 3.337 273 H GLY 49 H GLY 49 6.433 4.814 -5.485 274 1HA GLY 49 1HA GLY 49 8.915 5.320 -7.060 275 2HA GLY 49 2HA GLY 49 7.248 5.428 -7.624 276 H GLY 50 H GLY 50 6.883 2.789 -5.940 277 1HA GLY 50 1HA GLY 50 6.395 1.220 -8.106 278 2HA GLY 50 2HA GLY 50 6.559 0.608 -6.454 279 H CYS 51 H CYS 51 8.964 0.361 -5.782 280 HA CYS 51 HA CYS 51 11.017 -0.511 -5.963 281 1HB CYS 51 1HB CYS 51 10.013 -1.743 -8.552 282 2HB CYS 51 2HB CYS 51 11.680 -1.821 -8.043 No H/Q in entry = 282 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -9.749 -7.372 -1.792 2 H2 GLY 1 H2 GLY 1 -8.853 -6.659 -2.973 3 H3 GLY 1 H3 GLY 1 -8.736 -8.283 -2.719 4 1HA GLY 1 1HA GLY 1 -6.827 -7.159 -1.799 5 2HA GLY 1 2HA GLY 1 -7.805 -7.953 -0.551 6 H GLU 2 H GLU 2 -6.795 -6.419 0.949 7 HA GLU 2 HA GLU 2 -8.703 -4.393 1.708 8 1HB GLU 2 1HB GLU 2 -5.914 -5.203 2.669 9 2HB GLU 2 2HB GLU 2 -6.901 -3.995 3.454 10 1HG GLU 2 1HG GLU 2 -7.684 -6.893 3.188 11 2HG GLU 2 2HG GLU 2 -6.926 -6.057 4.561 12 H CYS 3 H CYS 3 -5.308 -4.365 0.566 13 HA CYS 3 HA CYS 3 -4.935 -1.558 0.706 14 1HB CYS 3 1HB CYS 3 -3.137 -3.307 0.239 15 2HB CYS 3 2HB CYS 3 -3.734 -3.352 -1.415 16 H GLU 4 H GLU 4 -6.023 -3.542 -2.097 17 HA GLU 4 HA GLU 4 -6.638 -1.331 -3.777 18 1HB GLU 4 1HB GLU 4 -7.711 -4.175 -3.701 19 2HB GLU 4 2HB GLU 4 -8.149 -2.989 -4.937 20 1HG GLU 4 1HG GLU 4 -5.711 -2.683 -5.456 21 2HG GLU 4 2HG GLU 4 -5.372 -4.034 -4.379 22 H GLN 5 H GLN 5 -8.610 -2.940 -1.234 23 HA GLN 5 HA GLN 5 -11.084 -1.687 -1.949 24 1HB GLN 5 1HB GLN 5 -10.789 -3.719 -0.424 25 2HB GLN 5 2HB GLN 5 -10.199 -2.629 0.821 26 1HG GLN 5 1HG GLN 5 -12.515 -3.182 1.228 27 2HG GLN 5 2HG GLN 5 -12.409 -1.473 0.832 28 1HE2 GLN 5 2HE2 GLN 5 -13.566 -0.694 -0.985 29 2HE2 GLN 5 1HE2 GLN 5 -14.352 -1.760 -2.157 30 H CYS 6 H CYS 6 -8.365 -0.660 0.060 31 HA CYS 6 HA CYS 6 -9.578 1.713 1.154 32 1HB CYS 6 1HB CYS 6 -7.476 0.480 1.901 33 2HB CYS 6 2HB CYS 6 -6.634 1.240 0.552 34 H PHE 7 H PHE 7 -7.447 1.113 -1.672 35 HA PHE 7 HA PHE 7 -7.476 3.764 -2.684 36 1HB PHE 7 1HB PHE 7 -6.569 1.104 -3.551 37 2HB PHE 7 2HB PHE 7 -7.227 2.017 -4.886 38 HD1 PHE 7 HD1 PHE 7 -6.356 4.347 -5.387 39 HD2 PHE 7 HD2 PHE 7 -4.489 1.783 -2.464 40 HE1 PHE 7 HE1 PHE 7 -4.313 5.745 -5.477 41 HE2 PHE 7 HE2 PHE 7 -2.490 3.264 -2.503 42 HZ PHE 7 HZ PHE 7 -2.368 5.184 -4.034 43 H SER 8 H SER 8 -9.806 1.079 -3.218 44 HA SER 8 HA SER 8 -11.332 2.322 -5.225 45 1HB SER 8 1HB SER 8 -12.301 0.501 -2.985 46 2HB SER 8 2HB SER 8 -13.122 0.833 -4.515 47 HG SER 8 HG SER 8 -10.935 0.102 -5.414 48 H ASP 9 H ASP 9 -11.275 2.979 -1.678 49 HA ASP 9 HA ASP 9 -13.521 4.915 -2.027 50 1HB ASP 9 1HB ASP 9 -13.463 3.206 -0.167 51 2HB ASP 9 2HB ASP 9 -12.087 4.087 0.507 52 H GLY 10 H GLY 10 -10.896 5.252 -3.253 53 1HA GLY 10 1HA GLY 10 -10.728 8.075 -2.859 54 2HA GLY 10 2HA GLY 10 -9.718 7.088 -3.906 55 H GLY 11 H GLY 11 -8.859 5.367 -1.440 56 1HA GLY 11 1HA GLY 11 -7.078 5.433 -0.015 57 2HA GLY 11 2HA GLY 11 -7.343 7.173 0.173 58 H ASP 12 H ASP 12 -4.938 7.333 0.135 59 HA ASP 12 HA ASP 12 -3.689 6.824 -2.528 60 1HB ASP 12 1HB ASP 12 -2.125 8.807 -2.007 61 2HB ASP 12 2HB ASP 12 -3.699 9.111 -2.684 62 H CYS 13 H CYS 13 -2.004 8.152 0.250 63 HA CYS 13 HA CYS 13 -0.665 5.508 0.690 64 1HB CYS 13 1HB CYS 13 0.573 8.269 0.408 65 2HB CYS 13 2HB CYS 13 1.417 6.884 1.060 66 H THR 14 H THR 14 -1.291 8.789 2.082 67 HA THR 14 HA THR 14 -0.508 7.981 4.732 68 HB THR 14 HB THR 14 -2.295 10.308 3.951 69 HG1 THR 14 HG1 THR 14 0.395 9.765 3.432 70 1HG2 THR 14 1HG2 THR 14 -0.198 9.968 6.157 71 2HG2 THR 14 2HG2 THR 14 -1.176 11.420 5.843 72 3HG2 THR 14 3HG2 THR 14 -1.958 9.931 6.394 73 H THR 15 H THR 15 -3.689 8.590 3.219 74 HA THR 15 HA THR 15 -5.209 7.669 5.420 75 HB THR 15 HB THR 15 -5.691 9.472 3.801 76 HG1 THR 15 HG1 THR 15 -7.486 8.397 4.739 77 1HG2 THR 15 1HG2 THR 15 -5.858 7.261 1.747 78 2HG2 THR 15 2HG2 THR 15 -6.528 8.884 1.485 79 3HG2 THR 15 3HG2 THR 15 -4.796 8.689 1.720 80 H CYS 16 H CYS 16 -3.442 5.558 4.439 81 HA CYS 16 HA CYS 16 -5.275 3.267 4.426 82 1HB CYS 16 1HB CYS 16 -3.294 3.725 2.138 83 2HB CYS 16 2HB CYS 16 -4.089 2.197 2.482 84 H PHE 17 H PHE 17 -2.147 4.774 5.046 85 HA PHE 17 HA PHE 17 -0.991 2.174 5.790 86 1HB PHE 17 1HB PHE 17 0.379 3.898 4.622 87 2HB PHE 17 2HB PHE 17 0.136 4.981 6.004 88 HD1 PHE 17 HD1 PHE 17 0.989 1.364 5.638 89 HD2 PHE 17 HD2 PHE 17 2.220 5.191 7.156 90 HE1 PHE 17 HE1 PHE 17 2.837 0.228 6.913 91 HE2 PHE 17 HE2 PHE 17 4.105 4.107 8.345 92 HZ PHE 17 HZ PHE 17 4.377 1.618 8.296 93 H ASN 18 H ASN 18 -2.204 5.200 7.281 94 HA ASN 18 HA ASN 18 -2.762 5.786 9.376 95 1HB ASN 18 1HB ASN 18 -4.274 3.661 8.993 96 2HB ASN 18 2HB ASN 18 -3.111 2.926 10.121 97 1HD2 ASN 18 2HD2 ASN 18 -2.817 4.367 12.242 98 2HD2 ASN 18 1HD2 ASN 18 -4.317 4.987 12.938 99 H ASN 19 H ASN 19 -0.068 5.492 8.876 100 HA ASN 19 HA ASN 19 1.889 4.685 9.446 101 1HB ASN 19 1HB ASN 19 1.475 6.697 10.868 102 2HB ASN 19 2HB ASN 19 1.262 5.598 12.243 103 1HD2 ASN 19 2HD2 ASN 19 3.204 7.404 12.532 104 2HD2 ASN 19 1HD2 ASN 19 4.812 6.768 12.203 105 H GLY 20 H GLY 20 0.928 2.492 8.975 106 1HA GLY 20 1HA GLY 20 2.304 0.710 10.784 107 2HA GLY 20 2HA GLY 20 1.626 0.338 9.218 108 H THR 21 H THR 21 -1.117 1.540 10.280 109 HA THR 21 HA THR 21 -1.960 -0.866 11.783 110 HB THR 21 HB THR 21 -2.125 1.993 12.176 111 HG1 THR 21 HG1 THR 21 -2.065 -0.261 13.807 112 1HG2 THR 21 1HG2 THR 21 -4.451 1.678 11.813 113 2HG2 THR 21 2HG2 THR 21 -4.497 0.416 13.072 114 3HG2 THR 21 3HG2 THR 21 -4.101 2.096 13.497 115 H GLY 22 H GLY 22 -2.305 0.950 8.878 116 1HA GLY 22 1HA GLY 22 -3.983 1.343 7.412 117 2HA GLY 22 2HA GLY 22 -5.172 0.684 8.555 118 HA PRO 23 HA PRO 23 -5.386 -2.844 5.885 119 1HB PRO 23 1HB PRO 23 -6.098 -2.054 3.363 120 2HB PRO 23 2HB PRO 23 -7.207 -2.033 4.750 121 1HG PRO 23 1HG PRO 23 -5.685 0.287 3.571 122 2HG PRO 23 2HG PRO 23 -7.380 0.230 4.143 123 1HD PRO 23 1HD PRO 23 -5.355 1.237 5.667 124 2HD PRO 23 2HD PRO 23 -6.729 0.424 6.377 125 H CYS 24 H CYS 24 -3.780 -0.273 3.908 126 HA CYS 24 HA CYS 24 -1.880 -2.278 2.885 127 1HB CYS 24 1HB CYS 24 -3.034 -0.205 1.508 128 2HB CYS 24 2HB CYS 24 -1.516 0.529 1.990 129 H ALA 25 H ALA 25 -1.154 -2.605 5.123 130 HA ALA 25 HA ALA 25 0.928 -0.601 5.848 131 1HB ALA 25 1HB ALA 25 -0.387 -2.667 7.617 132 2HB ALA 25 2HB ALA 25 -0.734 -0.914 7.616 133 3HB ALA 25 3HB ALA 25 0.876 -1.511 8.092 134 H ASN 26 H ASN 26 0.363 -4.155 5.609 135 HA ASN 26 HA ASN 26 3.127 -4.670 6.154 136 1HB ASN 26 1HB ASN 26 2.585 -7.010 5.679 137 2HB ASN 26 2HB ASN 26 1.332 -6.268 6.661 138 1HD2 ASN 26 2HD2 ASN 26 0.183 -8.284 5.906 139 2HD2 ASN 26 1HD2 ASN 26 -0.796 -8.103 4.458 140 H CYS 27 H CYS 27 1.962 -3.365 3.330 141 HA CYS 27 HA CYS 27 4.009 -4.642 1.547 142 1HB CYS 27 1HB CYS 27 1.953 -2.722 0.696 143 2HB CYS 27 2HB CYS 27 3.205 -3.478 -0.211 144 H LEU 28 H LEU 28 4.054 -2.134 3.996 145 HA LEU 28 HA LEU 28 6.046 -0.585 2.539 146 1HB LEU 28 1HB LEU 28 4.758 -0.505 5.304 147 2HB LEU 28 2HB LEU 28 6.048 0.579 4.837 148 HG LEU 28 HG LEU 28 3.833 1.505 4.664 149 1HD1 LEU 28 1HD1 LEU 28 5.871 2.121 3.082 150 2HD1 LEU 28 2HD1 LEU 28 4.805 1.387 1.858 151 3HD1 LEU 28 3HD1 LEU 28 4.248 2.804 2.750 152 1HD2 LEU 28 1HD2 LEU 28 2.659 -0.490 3.814 153 2HD2 LEU 28 2HD2 LEU 28 2.239 1.016 3.030 154 3HD2 LEU 28 3HD2 LEU 28 3.334 -0.131 2.187 155 H ALA 29 H ALA 29 5.954 -2.320 5.657 156 HA ALA 29 HA ALA 29 8.564 -1.548 6.371 157 1HB ALA 29 1HB ALA 29 8.142 -3.020 8.328 158 2HB ALA 29 2HB ALA 29 6.746 -3.726 7.484 159 3HB ALA 29 3HB ALA 29 6.729 -2.012 7.960 160 H GLY 30 H GLY 30 7.650 -4.126 4.349 161 1HA GLY 30 1HA GLY 30 9.240 -6.279 4.821 162 2HA GLY 30 2HA GLY 30 10.359 -5.087 4.098 163 H TYR 31 H TYR 31 9.858 -4.189 1.982 164 HA TYR 31 HA TYR 31 7.663 -5.621 0.522 165 1HB TYR 31 1HB TYR 31 6.859 -3.631 -0.157 166 2HB TYR 31 2HB TYR 31 7.281 -3.209 1.494 167 HD1 TYR 31 HD1 TYR 31 6.730 -1.457 -0.791 168 HD2 TYR 31 HD2 TYR 31 10.444 -3.014 0.582 169 HE1 TYR 31 HE1 TYR 31 7.891 0.392 -1.995 170 HE2 TYR 31 HE2 TYR 31 11.654 -1.150 -0.511 171 HH TYR 31 HH TYR 31 11.422 0.276 -2.338 172 HA PRO 32 HA PRO 32 11.550 -5.207 -1.956 173 1HB PRO 32 1HB PRO 32 12.679 -7.682 -2.018 174 2HB PRO 32 2HB PRO 32 13.000 -6.509 -0.721 175 1HG PRO 32 1HG PRO 32 11.078 -8.855 -0.683 176 2HG PRO 32 2HG PRO 32 12.207 -8.287 0.599 177 1HD PRO 32 1HD PRO 32 9.539 -7.643 0.602 178 2HD PRO 32 2HD PRO 32 10.830 -6.597 1.257 179 H ALA 33 H ALA 33 9.211 -7.817 -1.823 180 HA ALA 33 HA ALA 33 9.027 -8.183 -4.749 181 1HB ALA 33 1HB ALA 33 7.553 -10.047 -4.076 182 2HB ALA 33 2HB ALA 33 9.104 -10.134 -3.208 183 3HB ALA 33 3HB ALA 33 7.647 -9.502 -2.382 184 H GLY 34 H GLY 34 7.803 -5.884 -2.644 185 1HA GLY 34 1HA GLY 34 5.813 -4.768 -2.340 186 2HA GLY 34 2HA GLY 34 5.020 -6.333 -2.618 187 H CYS 35 H CYS 35 7.034 -4.831 -5.058 188 HA CYS 35 HA CYS 35 5.146 -3.384 -6.578 189 1HB CYS 35 1HB CYS 35 7.585 -4.894 -7.543 190 2HB CYS 35 2HB CYS 35 6.937 -3.396 -8.225 191 H SER 36 H SER 36 5.891 -6.850 -6.416 192 HA SER 36 HA SER 36 4.250 -7.451 -8.773 193 1HB SER 36 1HB SER 36 6.330 -8.911 -7.129 194 2HB SER 36 2HB SER 36 5.338 -9.712 -8.352 195 HG SER 36 HG SER 36 6.190 -8.398 -9.916 196 H ASN 37 H ASN 37 3.745 -6.878 -5.546 197 HA ASN 37 HA ASN 37 1.580 -8.881 -5.352 198 1HB ASN 37 1HB ASN 37 3.068 -7.458 -3.299 199 2HB ASN 37 2HB ASN 37 1.355 -7.090 -3.191 200 1HD2 ASN 37 2HD2 ASN 37 -0.129 -8.683 -2.538 201 2HD2 ASN 37 1HD2 ASN 37 0.333 -10.326 -2.232 202 H SER 38 H SER 38 0.601 -8.104 -7.320 203 HA SER 38 HA SER 38 0.039 -5.581 -8.122 204 1HB SER 38 1HB SER 38 -1.735 -7.924 -8.347 205 2HB SER 38 2HB SER 38 -1.733 -6.480 -9.390 206 HG SER 38 HG SER 38 -0.462 -8.411 -10.100 207 H ASP 39 H ASP 39 -1.614 -7.171 -5.416 208 HA ASP 39 HA ASP 39 -3.792 -5.377 -5.067 209 1HB ASP 39 1HB ASP 39 -3.481 -7.523 -3.887 210 2HB ASP 39 2HB ASP 39 -2.129 -6.860 -2.986 211 H CYS 40 H CYS 40 -0.393 -5.102 -4.167 212 HA CYS 40 HA CYS 40 -0.742 -2.616 -2.588 213 1HB CYS 40 1HB CYS 40 1.340 -4.833 -2.699 214 2HB CYS 40 2HB CYS 40 1.719 -3.322 -1.872 215 H THR 41 H THR 41 0.412 -3.861 -5.625 216 HA THR 41 HA THR 41 2.531 -2.316 -6.157 217 HB THR 41 HB THR 41 0.270 -3.357 -7.891 218 HG1 THR 41 HG1 THR 41 2.846 -4.433 -7.806 219 1HG2 THR 41 1HG2 THR 41 3.003 -2.486 -8.867 220 2HG2 THR 41 2HG2 THR 41 1.785 -3.457 -9.758 221 3HG2 THR 41 3HG2 THR 41 1.427 -1.765 -9.308 222 H ALA 42 H ALA 42 -0.924 -1.193 -6.806 223 HA ALA 42 HA ALA 42 -0.035 1.208 -8.083 224 1HB ALA 42 1HB ALA 42 -2.310 0.427 -8.425 225 2HB ALA 42 2HB ALA 42 -2.343 2.017 -7.649 226 3HB ALA 42 3HB ALA 42 -2.669 0.564 -6.685 227 H PHE 43 H PHE 43 -0.993 0.441 -4.728 228 HA PHE 43 HA PHE 43 -0.601 3.001 -3.575 229 1HB PHE 43 1HB PHE 43 -1.696 1.188 -2.341 230 2HB PHE 43 2HB PHE 43 -0.244 0.213 -2.361 231 HD1 PHE 43 HD1 PHE 43 -1.991 2.741 -0.412 232 HD2 PHE 43 HD2 PHE 43 1.763 0.820 -1.230 233 HE1 PHE 43 HE1 PHE 43 -1.110 3.504 1.776 234 HE2 PHE 43 HE2 PHE 43 2.691 1.703 0.885 235 HZ PHE 43 HZ PHE 43 1.249 3.005 2.417 236 H LEU 44 H LEU 44 1.815 0.297 -3.953 237 HA LEU 44 HA LEU 44 3.810 1.924 -2.790 238 1HB LEU 44 1HB LEU 44 4.015 -0.598 -4.481 239 2HB LEU 44 2HB LEU 44 5.381 0.143 -3.653 240 HG LEU 44 HG LEU 44 2.899 -0.952 -2.266 241 1HD1 LEU 44 1HD1 LEU 44 5.703 -2.016 -2.741 242 2HD1 LEU 44 2HD1 LEU 44 4.642 -2.651 -1.478 243 3HD1 LEU 44 3HD1 LEU 44 4.142 -2.733 -3.176 244 1HD2 LEU 44 1HD2 LEU 44 3.891 0.975 -0.996 245 2HD2 LEU 44 2HD2 LEU 44 3.988 -0.548 -0.177 246 3HD2 LEU 44 3HD2 LEU 44 5.421 0.121 -1.000 247 H SER 45 H SER 45 2.951 1.444 -6.187 248 HA SER 45 HA SER 45 5.122 2.777 -7.406 249 1HB SER 45 1HB SER 45 3.277 1.601 -8.565 250 2HB SER 45 2HB SER 45 2.143 2.850 -8.093 251 HG SER 45 HG SER 45 2.970 4.200 -9.503 252 H GLN 46 H GLN 46 2.156 4.001 -5.885 253 HA GLN 46 HA GLN 46 2.839 6.770 -6.306 254 1HB GLN 46 1HB GLN 46 0.651 5.296 -4.819 255 2HB GLN 46 2HB GLN 46 0.786 7.058 -4.738 256 1HG GLN 46 1HG GLN 46 0.633 7.302 -7.119 257 2HG GLN 46 2HG GLN 46 0.863 5.586 -7.414 258 1HE2 GLN 46 2HE2 GLN 46 -0.898 4.116 -6.570 259 2HE2 GLN 46 1HE2 GLN 46 -2.520 4.654 -6.985 260 H CYS 47 H CYS 47 3.091 4.697 -3.398 261 HA CYS 47 HA CYS 47 4.097 6.973 -1.872 262 1HB CYS 47 1HB CYS 47 4.207 4.181 -0.750 263 2HB CYS 47 2HB CYS 47 3.889 5.746 0.023 264 H TYR 48 H TYR 48 5.764 4.632 -3.762 265 HA TYR 48 HA TYR 48 8.375 5.318 -2.452 266 1HB TYR 48 1HB TYR 48 7.404 2.638 -3.338 267 2HB TYR 48 2HB TYR 48 9.095 3.044 -3.240 268 HD1 TYR 48 HD1 TYR 48 6.141 2.233 -1.351 269 HD2 TYR 48 HD2 TYR 48 10.194 3.636 -1.085 270 HE1 TYR 48 HE1 TYR 48 6.416 1.127 0.807 271 HE2 TYR 48 HE2 TYR 48 10.382 2.762 1.206 272 HH TYR 48 HH TYR 48 8.421 0.353 2.401 273 H GLY 49 H GLY 49 6.621 4.415 -5.452 274 1HA GLY 49 1HA GLY 49 9.075 4.929 -7.072 275 2HA GLY 49 2HA GLY 49 7.457 5.422 -7.575 276 H GLY 50 H GLY 50 7.731 2.430 -5.760 277 1HA GLY 50 1HA GLY 50 6.656 0.885 -7.967 278 2HA GLY 50 2HA GLY 50 7.056 0.303 -6.345 279 H CYS 51 H CYS 51 9.271 -0.112 -5.835 280 HA CYS 51 HA CYS 51 11.323 -0.997 -6.140 281 1HB CYS 51 1HB CYS 51 10.049 -2.201 -8.601 282 2HB CYS 51 2HB CYS 51 11.642 -2.590 -7.993 No H/Q in entry = 282 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -10.087 -8.342 -0.649 2 H2 GLY 1 H2 GLY 1 -9.908 -7.791 -2.180 3 H3 GLY 1 H3 GLY 1 -9.320 -9.280 -1.774 4 1HA GLY 1 1HA GLY 1 -7.610 -7.555 -1.988 5 2HA GLY 1 2HA GLY 1 -7.621 -8.356 -0.418 6 H GLU 2 H GLU 2 -6.383 -6.036 -0.298 7 HA GLU 2 HA GLU 2 -8.344 -4.633 1.431 8 1HB GLU 2 1HB GLU 2 -6.711 -4.588 3.184 9 2HB GLU 2 2HB GLU 2 -7.091 -6.228 2.639 10 1HG GLU 2 1HG GLU 2 -5.048 -5.995 1.134 11 2HG GLU 2 2HG GLU 2 -4.572 -4.602 2.113 12 H CYS 3 H CYS 3 -5.360 -4.218 -0.459 13 HA CYS 3 HA CYS 3 -5.156 -1.452 0.469 14 1HB CYS 3 1HB CYS 3 -3.180 -2.758 0.349 15 2HB CYS 3 2HB CYS 3 -3.459 -3.187 -1.326 16 H GLU 4 H GLU 4 -5.853 -3.093 -2.659 17 HA GLU 4 HA GLU 4 -6.493 -0.750 -4.185 18 1HB GLU 4 1HB GLU 4 -7.748 -3.507 -4.240 19 2HB GLU 4 2HB GLU 4 -8.081 -2.269 -5.428 20 1HG GLU 4 1HG GLU 4 -5.753 -2.282 -6.194 21 2HG GLU 4 2HG GLU 4 -5.336 -3.470 -4.948 22 H GLN 5 H GLN 5 -8.362 -2.672 -1.858 23 HA GLN 5 HA GLN 5 -10.872 -1.466 -2.233 24 1HB GLN 5 1HB GLN 5 -10.245 -3.611 -0.994 25 2HB GLN 5 2HB GLN 5 -9.737 -2.617 0.365 26 1HG GLN 5 1HG GLN 5 -11.935 -3.497 0.783 27 2HG GLN 5 2HG GLN 5 -12.032 -1.747 0.603 28 1HE2 GLN 5 2HE2 GLN 5 -13.424 -0.907 -1.105 29 2HE2 GLN 5 1HE2 GLN 5 -14.082 -1.952 -2.329 30 H CYS 6 H CYS 6 -8.076 -0.331 -0.428 31 HA CYS 6 HA CYS 6 -9.557 1.768 0.976 32 1HB CYS 6 1HB CYS 6 -7.377 0.507 1.649 33 2HB CYS 6 2HB CYS 6 -6.582 1.631 0.566 34 H PHE 7 H PHE 7 -7.596 1.407 -2.005 35 HA PHE 7 HA PHE 7 -7.628 4.187 -2.743 36 1HB PHE 7 1HB PHE 7 -6.817 1.615 -3.963 37 2HB PHE 7 2HB PHE 7 -7.496 2.740 -5.115 38 HD1 PHE 7 HD1 PHE 7 -6.512 5.026 -5.422 39 HD2 PHE 7 HD2 PHE 7 -4.632 2.075 -2.885 40 HE1 PHE 7 HE1 PHE 7 -4.438 6.365 -5.399 41 HE2 PHE 7 HE2 PHE 7 -2.536 3.415 -2.959 42 HZ PHE 7 HZ PHE 7 -2.429 5.543 -4.172 43 H SER 8 H SER 8 -10.007 1.519 -3.266 44 HA SER 8 HA SER 8 -11.830 2.983 -4.885 45 1HB SER 8 1HB SER 8 -12.260 0.886 -2.716 46 2HB SER 8 2HB SER 8 -13.585 1.613 -3.623 47 HG SER 8 HG SER 8 -13.224 0.160 -4.983 48 H ASP 9 H ASP 9 -11.183 3.155 -1.383 49 HA ASP 9 HA ASP 9 -13.461 4.971 -0.933 50 1HB ASP 9 1HB ASP 9 -12.654 2.980 0.535 51 2HB ASP 9 2HB ASP 9 -11.407 4.065 1.117 52 H GLY 10 H GLY 10 -11.482 5.918 -2.677 53 1HA GLY 10 1HA GLY 10 -11.048 8.503 -1.616 54 2HA GLY 10 2HA GLY 10 -10.480 7.907 -3.177 55 H GLY 11 H GLY 11 -9.049 5.771 -1.080 56 1HA GLY 11 1HA GLY 11 -7.259 5.749 0.291 57 2HA GLY 11 2HA GLY 11 -7.368 7.514 0.405 58 H ASP 12 H ASP 12 -5.409 8.342 -0.030 59 HA ASP 12 HA ASP 12 -3.961 7.689 -2.503 60 1HB ASP 12 1HB ASP 12 -3.624 9.731 -0.325 61 2HB ASP 12 2HB ASP 12 -2.358 9.456 -1.522 62 H CYS 13 H CYS 13 -2.101 8.508 0.361 63 HA CYS 13 HA CYS 13 -0.855 5.792 0.400 64 1HB CYS 13 1HB CYS 13 0.429 8.550 0.270 65 2HB CYS 13 2HB CYS 13 1.313 7.090 0.697 66 H THR 14 H THR 14 -1.221 8.890 2.241 67 HA THR 14 HA THR 14 -0.337 7.725 4.720 68 HB THR 14 HB THR 14 -2.130 10.130 4.198 69 HG1 THR 14 HG1 THR 14 0.617 9.679 4.006 70 1HG2 THR 14 1HG2 THR 14 -0.346 9.471 6.584 71 2HG2 THR 14 2HG2 THR 14 -1.265 10.975 6.342 72 3HG2 THR 14 3HG2 THR 14 -2.117 9.448 6.584 73 H THR 15 H THR 15 -3.670 8.444 3.448 74 HA THR 15 HA THR 15 -4.852 7.431 5.841 75 HB THR 15 HB THR 15 -5.468 9.290 4.194 76 HG1 THR 15 HG1 THR 15 -7.867 8.384 4.329 77 1HG2 THR 15 1HG2 THR 15 -5.397 8.063 2.088 78 2HG2 THR 15 2HG2 THR 15 -6.845 7.163 2.571 79 3HG2 THR 15 3HG2 THR 15 -6.921 8.915 2.356 80 H CYS 16 H CYS 16 -3.333 5.395 4.380 81 HA CYS 16 HA CYS 16 -5.152 3.092 4.519 82 1HB CYS 16 1HB CYS 16 -3.633 3.884 1.992 83 2HB CYS 16 2HB CYS 16 -4.382 2.322 2.235 84 H PHE 17 H PHE 17 -1.990 4.641 4.788 85 HA PHE 17 HA PHE 17 -0.701 2.106 5.436 86 1HB PHE 17 1HB PHE 17 0.664 3.998 4.625 87 2HB PHE 17 2HB PHE 17 0.134 4.999 5.980 88 HD1 PHE 17 HD1 PHE 17 1.938 5.175 7.720 89 HD2 PHE 17 HD2 PHE 17 1.283 1.512 5.563 90 HE1 PHE 17 HE1 PHE 17 3.825 4.107 8.899 91 HE2 PHE 17 HE2 PHE 17 3.118 0.411 6.824 92 HZ PHE 17 HZ PHE 17 4.380 1.712 8.500 93 H ASN 18 H ASN 18 -2.097 4.980 7.056 94 HA ASN 18 HA ASN 18 -2.860 5.358 9.167 95 1HB ASN 18 1HB ASN 18 -4.545 3.701 8.239 96 2HB ASN 18 2HB ASN 18 -3.524 2.484 9.062 97 1HD2 ASN 18 2HD2 ASN 18 -6.252 2.650 9.607 98 2HD2 ASN 18 1HD2 ASN 18 -6.417 3.167 11.281 99 H ASN 19 H ASN 19 -0.357 5.174 9.244 100 HA ASN 19 HA ASN 19 1.477 4.238 9.776 101 1HB ASN 19 1HB ASN 19 0.614 5.973 11.525 102 2HB ASN 19 2HB ASN 19 1.010 4.691 12.685 103 1HD2 ASN 19 2HD2 ASN 19 3.270 4.896 13.392 104 2HD2 ASN 19 1HD2 ASN 19 4.443 5.740 12.394 105 H GLY 20 H GLY 20 0.944 2.183 8.957 106 1HA GLY 20 1HA GLY 20 2.190 0.194 10.556 107 2HA GLY 20 2HA GLY 20 1.557 0.024 8.939 108 H THR 21 H THR 21 -1.061 1.140 10.516 109 HA THR 21 HA THR 21 -2.128 -1.555 11.246 110 HB THR 21 HB THR 21 -3.613 -0.373 12.883 111 HG1 THR 21 HG1 THR 21 -2.543 1.829 11.928 112 1HG2 THR 21 1HG2 THR 21 -1.542 -1.655 13.504 113 2HG2 THR 21 2HG2 THR 21 -0.642 -0.134 13.495 114 3HG2 THR 21 3HG2 THR 21 -1.971 -0.370 14.647 115 H GLY 22 H GLY 22 -2.091 0.091 8.679 116 1HA GLY 22 1HA GLY 22 -3.761 1.039 7.249 117 2HA GLY 22 2HA GLY 22 -5.022 0.191 8.168 118 HA PRO 23 HA PRO 23 -4.771 -3.133 5.362 119 1HB PRO 23 1HB PRO 23 -5.483 -2.236 2.850 120 2HB PRO 23 2HB PRO 23 -6.622 -2.454 4.215 121 1HG PRO 23 1HG PRO 23 -5.332 0.097 3.224 122 2HG PRO 23 2HG PRO 23 -7.020 -0.171 3.760 123 1HD PRO 23 1HD PRO 23 -5.130 0.930 5.391 124 2HD PRO 23 2HD PRO 23 -6.429 -0.077 6.010 125 H CYS 24 H CYS 24 -3.300 -0.308 3.641 126 HA CYS 24 HA CYS 24 -1.281 -2.127 2.459 127 1HB CYS 24 1HB CYS 24 -2.576 0.135 1.418 128 2HB CYS 24 2HB CYS 24 -0.953 0.694 1.767 129 H ALA 25 H ALA 25 -0.820 -2.484 4.818 130 HA ALA 25 HA ALA 25 1.156 -0.499 5.874 131 1HB ALA 25 1HB ALA 25 -0.502 -2.645 7.227 132 2HB ALA 25 2HB ALA 25 -0.554 -0.869 7.507 133 3HB ALA 25 3HB ALA 25 0.860 -1.830 8.004 134 H ASN 26 H ASN 26 0.703 -4.087 5.581 135 HA ASN 26 HA ASN 26 3.428 -4.527 6.314 136 1HB ASN 26 1HB ASN 26 1.516 -6.332 4.738 137 2HB ASN 26 2HB ASN 26 3.110 -6.814 5.339 138 1HD2 ASN 26 2HD2 ASN 26 -0.272 -6.186 6.333 139 2HD2 ASN 26 1HD2 ASN 26 0.038 -6.544 8.018 140 H CYS 27 H CYS 27 1.888 -3.894 3.249 141 HA CYS 27 HA CYS 27 4.006 -4.526 1.434 142 1HB CYS 27 1HB CYS 27 1.763 -2.542 0.990 143 2HB CYS 27 2HB CYS 27 2.845 -3.257 -0.153 144 H LEU 28 H LEU 28 4.438 -2.429 3.966 145 HA LEU 28 HA LEU 28 5.781 -0.323 2.319 146 1HB LEU 28 1HB LEU 28 4.619 -0.244 5.144 147 2HB LEU 28 2HB LEU 28 5.535 1.020 4.437 148 HG LEU 28 HG LEU 28 2.801 0.729 4.381 149 1HD1 LEU 28 1HD1 LEU 28 4.134 2.794 4.268 150 2HD1 LEU 28 2HD1 LEU 28 4.498 2.434 2.550 151 3HD1 LEU 28 3HD1 LEU 28 2.830 2.785 3.074 152 1HD2 LEU 28 1HD2 LEU 28 3.640 0.249 1.548 153 2HD2 LEU 28 2HD2 LEU 28 2.594 -0.788 2.580 154 3HD2 LEU 28 3HD2 LEU 28 2.028 0.772 2.099 155 H ALA 29 H ALA 29 6.123 -2.380 5.201 156 HA ALA 29 HA ALA 29 8.684 -1.184 5.945 157 1HB ALA 29 1HB ALA 29 8.449 -2.861 7.811 158 2HB ALA 29 2HB ALA 29 6.879 -3.348 7.112 159 3HB ALA 29 3HB ALA 29 7.135 -1.684 7.699 160 H GLY 30 H GLY 30 8.059 -4.649 6.135 161 1HA GLY 30 1HA GLY 30 9.193 -6.452 5.296 162 2HA GLY 30 2HA GLY 30 10.410 -5.374 4.588 163 H TYR 31 H TYR 31 9.520 -3.934 2.726 164 HA TYR 31 HA TYR 31 7.503 -5.457 1.103 165 1HB TYR 31 1HB TYR 31 6.721 -3.463 0.439 166 2HB TYR 31 2HB TYR 31 7.187 -3.056 2.071 167 HD1 TYR 31 HD1 TYR 31 10.281 -2.812 1.229 168 HD2 TYR 31 HD2 TYR 31 6.632 -1.408 -0.494 169 HE1 TYR 31 HE1 TYR 31 11.502 -0.865 0.214 170 HE2 TYR 31 HE2 TYR 31 7.857 0.326 -1.782 171 HH TYR 31 HH TYR 31 10.101 0.754 -2.404 172 HA PRO 32 HA PRO 32 11.480 -5.037 -1.249 173 1HB PRO 32 1HB PRO 32 12.684 -7.527 -1.249 174 2HB PRO 32 2HB PRO 32 12.936 -6.295 0.027 175 1HG PRO 32 1HG PRO 32 11.091 -8.658 0.075 176 2HG PRO 32 2HG PRO 32 12.162 -8.041 1.378 177 1HD PRO 32 1HD PRO 32 9.455 -7.471 1.254 178 2HD PRO 32 2HD PRO 32 10.692 -6.381 1.951 179 H ALA 33 H ALA 33 9.053 -7.530 -1.162 180 HA ALA 33 HA ALA 33 9.090 -8.077 -4.081 181 1HB ALA 33 1HB ALA 33 7.579 -9.929 -3.445 182 2HB ALA 33 2HB ALA 33 9.090 -9.998 -2.520 183 3HB ALA 33 3HB ALA 33 7.600 -9.369 -1.755 184 H GLY 34 H GLY 34 7.739 -5.677 -2.218 185 1HA GLY 34 1HA GLY 34 5.737 -4.534 -2.196 186 2HA GLY 34 2HA GLY 34 4.964 -6.097 -2.359 187 H CYS 35 H CYS 35 7.125 -4.820 -4.934 188 HA CYS 35 HA CYS 35 5.076 -3.653 -6.542 189 1HB CYS 35 1HB CYS 35 7.686 -4.945 -7.377 190 2HB CYS 35 2HB CYS 35 6.717 -3.847 -8.343 191 H SER 36 H SER 36 6.004 -7.125 -6.087 192 HA SER 36 HA SER 36 4.584 -7.842 -8.493 193 1HB SER 36 1HB SER 36 5.434 -9.964 -8.056 194 2HB SER 36 2HB SER 36 6.694 -8.832 -7.582 195 HG SER 36 HG SER 36 4.937 -10.152 -5.771 196 H ASN 37 H ASN 37 3.843 -7.049 -5.337 197 HA ASN 37 HA ASN 37 1.588 -8.908 -4.896 198 1HB ASN 37 1HB ASN 37 3.073 -7.347 -3.019 199 2HB ASN 37 2HB ASN 37 1.710 -6.473 -3.175 200 1HD2 ASN 37 2HD2 ASN 37 -0.337 -7.136 -2.443 201 2HD2 ASN 37 1HD2 ASN 37 -0.600 -8.655 -1.639 202 H SER 38 H SER 38 0.351 -8.389 -6.917 203 HA SER 38 HA SER 38 -0.183 -5.905 -7.920 204 1HB SER 38 1HB SER 38 -1.909 -8.301 -7.867 205 2HB SER 38 2HB SER 38 -2.077 -6.971 -9.021 206 HG SER 38 HG SER 38 -0.741 -8.825 -9.742 207 H ASP 39 H ASP 39 -1.753 -7.264 -5.081 208 HA ASP 39 HA ASP 39 -3.998 -5.509 -4.800 209 1HB ASP 39 1HB ASP 39 -3.384 -7.675 -3.510 210 2HB ASP 39 2HB ASP 39 -2.331 -6.672 -2.530 211 H CYS 40 H CYS 40 -0.567 -5.174 -3.961 212 HA CYS 40 HA CYS 40 -0.917 -2.587 -2.573 213 1HB CYS 40 1HB CYS 40 1.281 -4.730 -2.469 214 2HB CYS 40 2HB CYS 40 1.442 -3.147 -1.746 215 H THR 41 H THR 41 0.496 -4.131 -5.415 216 HA THR 41 HA THR 41 2.592 -2.617 -6.012 217 HB THR 41 HB THR 41 0.415 -3.830 -7.727 218 HG1 THR 41 HG1 THR 41 2.655 -5.162 -7.834 219 1HG2 THR 41 1HG2 THR 41 3.164 -3.028 -8.706 220 2HG2 THR 41 2HG2 THR 41 1.958 -4.104 -9.485 221 3HG2 THR 41 3HG2 THR 41 1.591 -2.383 -9.264 222 H ALA 42 H ALA 42 -0.815 -1.581 -6.779 223 HA ALA 42 HA ALA 42 0.156 0.639 -8.375 224 1HB ALA 42 1HB ALA 42 -2.057 -0.430 -8.763 225 2HB ALA 42 2HB ALA 42 -2.631 0.239 -7.211 226 3HB ALA 42 3HB ALA 42 -2.142 1.325 -8.525 227 H PHE 43 H PHE 43 -0.974 0.221 -5.018 228 HA PHE 43 HA PHE 43 -0.691 2.944 -4.173 229 1HB PHE 43 1HB PHE 43 -1.787 1.281 -2.775 230 2HB PHE 43 2HB PHE 43 -0.332 0.316 -2.709 231 HD1 PHE 43 HD1 PHE 43 -2.185 2.800 -0.886 232 HD2 PHE 43 HD2 PHE 43 1.699 1.177 -1.618 233 HE1 PHE 43 HE1 PHE 43 -1.389 3.719 1.260 234 HE2 PHE 43 HE2 PHE 43 2.568 2.256 0.440 235 HZ PHE 43 HZ PHE 43 1.030 3.459 1.908 236 H LEU 44 H LEU 44 1.768 0.239 -3.858 237 HA LEU 44 HA LEU 44 3.733 1.994 -3.073 238 1HB LEU 44 1HB LEU 44 4.178 -0.585 -4.622 239 2HB LEU 44 2HB LEU 44 5.345 0.236 -3.627 240 HG LEU 44 HG LEU 44 2.756 -1.013 -2.588 241 1HD1 LEU 44 1HD1 LEU 44 5.626 -1.964 -2.537 242 2HD1 LEU 44 2HD1 LEU 44 4.293 -2.696 -1.628 243 3HD1 LEU 44 3HD1 LEU 44 4.251 -2.677 -3.395 244 1HD2 LEU 44 1HD2 LEU 44 3.719 0.993 -1.222 245 2HD2 LEU 44 2HD2 LEU 44 3.326 -0.523 -0.451 246 3HD2 LEU 44 3HD2 LEU 44 5.016 -0.132 -0.853 247 H SER 45 H SER 45 2.943 1.183 -6.411 248 HA SER 45 HA SER 45 5.088 2.350 -7.799 249 1HB SER 45 1HB SER 45 3.082 1.070 -8.683 250 2HB SER 45 2HB SER 45 2.170 2.576 -8.602 251 HG SER 45 HG SER 45 3.482 3.446 -10.130 252 H GLN 46 H GLN 46 2.201 3.875 -6.375 253 HA GLN 46 HA GLN 46 3.057 6.582 -7.015 254 1HB GLN 46 1HB GLN 46 0.875 5.596 -5.136 255 2HB GLN 46 2HB GLN 46 1.154 7.265 -5.639 256 1HG GLN 46 1HG GLN 46 0.966 6.459 -8.057 257 2HG GLN 46 2HG GLN 46 0.395 4.920 -7.440 258 1HE2 GLN 46 2HE2 GLN 46 -1.875 4.736 -7.038 259 2HE2 GLN 46 1HE2 GLN 46 -2.919 6.138 -7.066 260 H CYS 47 H CYS 47 2.584 5.035 -3.827 261 HA CYS 47 HA CYS 47 3.795 7.086 -2.457 262 1HB CYS 47 1HB CYS 47 3.629 4.267 -1.341 263 2HB CYS 47 2HB CYS 47 3.457 5.805 -0.508 264 H TYR 48 H TYR 48 5.509 4.392 -3.876 265 HA TYR 48 HA TYR 48 8.050 5.228 -2.511 266 1HB TYR 48 1HB TYR 48 7.151 2.498 -3.400 267 2HB TYR 48 2HB TYR 48 8.815 2.922 -3.099 268 HD1 TYR 48 HD1 TYR 48 9.506 3.817 -0.796 269 HD2 TYR 48 HD2 TYR 48 5.696 2.006 -1.605 270 HE1 TYR 48 HE1 TYR 48 9.250 3.303 1.614 271 HE2 TYR 48 HE2 TYR 48 5.505 1.315 0.765 272 HH TYR 48 HH TYR 48 7.647 1.232 2.933 273 H GLY 49 H GLY 49 6.406 4.691 -5.553 274 1HA GLY 49 1HA GLY 49 8.927 5.238 -7.050 275 2HA GLY 49 2HA GLY 49 7.310 5.580 -7.644 276 H GLY 50 H GLY 50 7.306 2.648 -5.933 277 1HA GLY 50 1HA GLY 50 6.878 1.069 -8.308 278 2HA GLY 50 2HA GLY 50 6.927 0.484 -6.635 279 H CYS 51 H CYS 51 9.165 0.469 -5.628 280 HA CYS 51 HA CYS 51 11.344 -0.128 -5.600 281 1HB CYS 51 1HB CYS 51 11.887 -2.193 -7.040 282 2HB CYS 51 2HB CYS 51 10.816 -2.345 -5.683 No H/Q in entry = 282 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -8.288 -6.533 -3.844 2 H2 GLY 1 H2 GLY 1 -6.691 -6.172 -3.765 3 H3 GLY 1 H3 GLY 1 -7.168 -7.704 -4.149 4 1HA GLY 1 1HA GLY 1 -6.359 -7.540 -1.871 5 2HA GLY 1 2HA GLY 1 -8.058 -8.032 -1.953 6 H GLU 2 H GLU 2 -6.732 -6.717 0.324 7 HA GLU 2 HA GLU 2 -8.686 -4.723 0.884 8 1HB GLU 2 1HB GLU 2 -7.477 -4.397 2.954 9 2HB GLU 2 2HB GLU 2 -7.873 -6.082 2.627 10 1HG GLU 2 1HG GLU 2 -5.243 -5.415 1.514 11 2HG GLU 2 2HG GLU 2 -5.345 -4.966 3.199 12 H CYS 3 H CYS 3 -5.399 -4.449 -0.471 13 HA CYS 3 HA CYS 3 -5.141 -1.679 0.408 14 1HB CYS 3 1HB CYS 3 -3.210 -3.143 0.137 15 2HB CYS 3 2HB CYS 3 -3.583 -3.355 -1.563 16 H GLU 4 H GLU 4 -5.986 -3.405 -2.620 17 HA GLU 4 HA GLU 4 -6.810 -1.185 -4.193 18 1HB GLU 4 1HB GLU 4 -7.769 -4.057 -3.989 19 2HB GLU 4 2HB GLU 4 -8.429 -2.924 -5.160 20 1HG GLU 4 1HG GLU 4 -6.358 -2.699 -6.296 21 2HG GLU 4 2HG GLU 4 -5.464 -3.553 -5.033 22 H GLN 5 H GLN 5 -8.582 -3.054 -1.658 23 HA GLN 5 HA GLN 5 -11.089 -1.802 -2.015 24 1HB GLN 5 1HB GLN 5 -10.342 -3.861 -0.507 25 2HB GLN 5 2HB GLN 5 -10.109 -2.634 0.731 26 1HG GLN 5 1HG GLN 5 -12.254 -3.225 1.215 27 2HG GLN 5 2HG GLN 5 -12.627 -1.966 0.034 28 1HE2 GLN 5 2HE2 GLN 5 -13.373 -2.675 -2.173 29 2HE2 GLN 5 1HE2 GLN 5 -13.750 -4.335 -2.456 30 H CYS 6 H CYS 6 -8.318 -0.855 -0.004 31 HA CYS 6 HA CYS 6 -9.605 1.429 1.189 32 1HB CYS 6 1HB CYS 6 -7.527 0.003 1.908 33 2HB CYS 6 2HB CYS 6 -6.633 1.079 0.861 34 H PHE 7 H PHE 7 -7.557 0.954 -1.709 35 HA PHE 7 HA PHE 7 -7.372 3.718 -2.446 36 1HB PHE 7 1HB PHE 7 -6.705 1.124 -3.635 37 2HB PHE 7 2HB PHE 7 -7.489 2.147 -4.824 38 HD1 PHE 7 HD1 PHE 7 -6.334 3.970 -5.852 39 HD2 PHE 7 HD2 PHE 7 -4.683 2.063 -2.354 40 HE1 PHE 7 HE1 PHE 7 -4.238 5.198 -6.193 41 HE2 PHE 7 HE2 PHE 7 -2.574 3.367 -2.686 42 HZ PHE 7 HZ PHE 7 -2.318 4.925 -4.557 43 H SER 8 H SER 8 -9.829 1.220 -3.148 44 HA SER 8 HA SER 8 -11.456 2.721 -4.881 45 1HB SER 8 1HB SER 8 -11.595 0.213 -3.490 46 2HB SER 8 2HB SER 8 -13.068 1.089 -3.072 47 HG SER 8 HG SER 8 -13.745 0.907 -5.047 48 H ASP 9 H ASP 9 -11.176 2.827 -1.357 49 HA ASP 9 HA ASP 9 -13.378 4.765 -1.070 50 1HB ASP 9 1HB ASP 9 -12.722 2.887 0.550 51 2HB ASP 9 2HB ASP 9 -11.363 3.874 1.026 52 H GLY 10 H GLY 10 -11.320 5.517 -2.888 53 1HA GLY 10 1HA GLY 10 -10.888 8.180 -2.276 54 2HA GLY 10 2HA GLY 10 -9.973 7.253 -3.477 55 H GLY 11 H GLY 11 -8.871 5.435 -1.343 56 1HA GLY 11 1HA GLY 11 -7.233 5.384 0.271 57 2HA GLY 11 2HA GLY 11 -7.304 7.148 0.399 58 H ASP 12 H ASP 12 -4.934 7.255 0.369 59 HA ASP 12 HA ASP 12 -3.814 6.916 -2.382 60 1HB ASP 12 1HB ASP 12 -2.430 8.982 -1.681 61 2HB ASP 12 2HB ASP 12 -4.099 9.169 -2.179 62 H CYS 13 H CYS 13 -2.077 8.069 0.432 63 HA CYS 13 HA CYS 13 -0.580 5.526 0.697 64 1HB CYS 13 1HB CYS 13 0.670 8.290 0.413 65 2HB CYS 13 2HB CYS 13 1.506 6.871 1.030 66 H THR 14 H THR 14 -0.827 8.894 2.079 67 HA THR 14 HA THR 14 -0.423 8.100 4.733 68 HB THR 14 HB THR 14 -2.016 10.434 3.595 69 HG1 THR 14 HG1 THR 14 -0.059 11.468 3.682 70 1HG2 THR 14 1HG2 THR 14 -0.737 10.045 6.350 71 2HG2 THR 14 2HG2 THR 14 -1.393 11.578 5.733 72 3HG2 THR 14 3HG2 THR 14 -2.468 10.205 6.003 73 H THR 15 H THR 15 -3.599 8.540 2.959 74 HA THR 15 HA THR 15 -4.922 7.902 5.481 75 HB THR 15 HB THR 15 -5.287 9.731 3.660 76 HG1 THR 15 HG1 THR 15 -6.448 9.520 5.533 77 1HG2 THR 15 1HG2 THR 15 -5.773 8.072 1.813 78 2HG2 THR 15 2HG2 THR 15 -7.371 7.863 2.564 79 3HG2 THR 15 3HG2 THR 15 -6.860 9.453 1.976 80 H CYS 16 H CYS 16 -3.473 5.771 4.385 81 HA CYS 16 HA CYS 16 -5.383 3.594 4.741 82 1HB CYS 16 1HB CYS 16 -3.873 3.939 2.133 83 2HB CYS 16 2HB CYS 16 -4.384 2.356 2.722 84 H PHE 17 H PHE 17 -1.919 4.755 4.222 85 HA PHE 17 HA PHE 17 -0.821 2.448 5.416 86 1HB PHE 17 1HB PHE 17 0.554 4.228 4.336 87 2HB PHE 17 2HB PHE 17 0.189 5.317 5.684 88 HD1 PHE 17 HD1 PHE 17 2.049 5.472 7.253 89 HD2 PHE 17 HD2 PHE 17 1.232 1.750 5.241 90 HE1 PHE 17 HE1 PHE 17 3.921 4.360 8.477 91 HE2 PHE 17 HE2 PHE 17 3.050 0.654 6.571 92 HZ PHE 17 HZ PHE 17 4.425 1.964 8.085 93 H ASN 18 H ASN 18 -2.282 5.355 6.860 94 HA ASN 18 HA ASN 18 -3.053 5.794 8.970 95 1HB ASN 18 1HB ASN 18 -4.277 3.639 8.101 96 2HB ASN 18 2HB ASN 18 -3.279 2.817 9.295 97 1HD2 ASN 18 2HD2 ASN 18 -3.575 3.540 11.558 98 2HD2 ASN 18 1HD2 ASN 18 -5.284 3.266 11.808 99 H ASN 19 H ASN 19 -0.224 5.381 8.695 100 HA ASN 19 HA ASN 19 1.648 4.836 9.554 101 1HB ASN 19 1HB ASN 19 1.000 6.742 10.984 102 2HB ASN 19 2HB ASN 19 0.731 5.589 12.303 103 1HD2 ASN 19 2HD2 ASN 19 2.680 5.462 13.638 104 2HD2 ASN 19 1HD2 ASN 19 4.271 5.524 12.943 105 H GLY 20 H GLY 20 0.993 2.643 8.877 106 1HA GLY 20 1HA GLY 20 2.549 1.092 10.714 107 2HA GLY 20 2HA GLY 20 2.100 0.680 9.074 108 H THR 21 H THR 21 -0.769 1.356 10.687 109 HA THR 21 HA THR 21 -1.256 -1.480 11.353 110 HB THR 21 HB THR 21 -1.557 1.020 12.755 111 HG1 THR 21 HG1 THR 21 -0.553 -0.247 14.027 112 1HG2 THR 21 1HG2 THR 21 -3.938 0.739 12.389 113 2HG2 THR 21 2HG2 THR 21 -3.858 -0.923 13.028 114 3HG2 THR 21 3HG2 THR 21 -3.500 0.459 14.087 115 H GLY 22 H GLY 22 -2.007 0.768 8.926 116 1HA GLY 22 1HA GLY 22 -3.772 0.999 7.496 117 2HA GLY 22 2HA GLY 22 -4.810 0.086 8.583 118 HA PRO 23 HA PRO 23 -4.673 -3.307 5.880 119 1HB PRO 23 1HB PRO 23 -5.700 -2.639 3.391 120 2HB PRO 23 2HB PRO 23 -6.667 -2.785 4.892 121 1HG PRO 23 1HG PRO 23 -5.756 -0.309 3.473 122 2HG PRO 23 2HG PRO 23 -7.218 -0.575 4.475 123 1HD PRO 23 1HD PRO 23 -4.741 0.599 5.164 124 2HD PRO 23 2HD PRO 23 -6.045 0.269 6.308 125 H CYS 24 H CYS 24 -3.578 -0.686 3.624 126 HA CYS 24 HA CYS 24 -1.365 -2.373 2.669 127 1HB CYS 24 1HB CYS 24 -2.862 -0.349 1.458 128 2HB CYS 24 2HB CYS 24 -1.337 0.445 1.790 129 H ALA 25 H ALA 25 -0.686 -2.556 4.972 130 HA ALA 25 HA ALA 25 1.122 -0.272 5.687 131 1HB ALA 25 1HB ALA 25 0.983 -0.983 8.000 132 2HB ALA 25 2HB ALA 25 -0.252 -2.191 7.585 133 3HB ALA 25 3HB ALA 25 -0.591 -0.450 7.367 134 H ASN 26 H ASN 26 0.817 -3.825 6.062 135 HA ASN 26 HA ASN 26 3.625 -4.245 6.477 136 1HB ASN 26 1HB ASN 26 3.083 -6.597 5.845 137 2HB ASN 26 2HB ASN 26 2.056 -5.946 7.113 138 1HD2 ASN 26 2HD2 ASN 26 -0.202 -5.846 6.743 139 2HD2 ASN 26 1HD2 ASN 26 -0.946 -6.271 5.215 140 H CYS 27 H CYS 27 1.751 -3.709 3.513 141 HA CYS 27 HA CYS 27 3.778 -4.437 1.634 142 1HB CYS 27 1HB CYS 27 1.566 -2.416 1.181 143 2HB CYS 27 2HB CYS 27 2.664 -3.130 0.042 144 H LEU 28 H LEU 28 4.104 -1.830 4.023 145 HA LEU 28 HA LEU 28 5.855 -0.364 2.225 146 1HB LEU 28 1HB LEU 28 4.855 -0.027 5.080 147 2HB LEU 28 2HB LEU 28 6.062 1.027 4.362 148 HG LEU 28 HG LEU 28 3.770 1.849 4.318 149 1HD1 LEU 28 1HD1 LEU 28 5.607 2.519 2.637 150 2HD1 LEU 28 2HD1 LEU 28 4.696 1.511 1.483 151 3HD1 LEU 28 3HD1 LEU 28 3.938 2.945 2.212 152 1HD2 LEU 28 1HD2 LEU 28 2.590 -0.266 3.715 153 2HD2 LEU 28 2HD2 LEU 28 2.072 1.173 2.878 154 3HD2 LEU 28 3HD2 LEU 28 3.138 0.015 2.031 155 H ALA 29 H ALA 29 6.225 -1.763 5.516 156 HA ALA 29 HA ALA 29 9.055 -1.335 5.489 157 1HB ALA 29 1HB ALA 29 8.967 -2.752 7.565 158 2HB ALA 29 2HB ALA 29 7.894 -1.354 7.572 159 3HB ALA 29 3HB ALA 29 7.211 -2.968 7.276 160 H GLY 30 H GLY 30 7.274 -4.446 5.666 161 1HA GLY 30 1HA GLY 30 8.033 -6.579 5.114 162 2HA GLY 30 2HA GLY 30 9.508 -5.894 4.464 163 H TYR 31 H TYR 31 9.268 -4.514 2.410 164 HA TYR 31 HA TYR 31 7.056 -5.614 0.718 165 1HB TYR 31 1HB TYR 31 6.475 -3.629 0.094 166 2HB TYR 31 2HB TYR 31 6.978 -3.125 1.685 167 HD1 TYR 31 HD1 TYR 31 10.106 -3.226 0.772 168 HD2 TYR 31 HD2 TYR 31 6.484 -1.569 -0.750 169 HE1 TYR 31 HE1 TYR 31 11.416 -1.546 -0.520 170 HE2 TYR 31 HE2 TYR 31 7.734 0.083 -2.139 171 HH TYR 31 HH TYR 31 11.235 0.443 -2.070 172 HA PRO 32 HA PRO 32 11.190 -5.796 -1.395 173 1HB PRO 32 1HB PRO 32 11.795 -8.524 -1.436 174 2HB PRO 32 2HB PRO 32 12.433 -7.329 -0.271 175 1HG PRO 32 1HG PRO 32 10.245 -9.338 0.140 176 2HG PRO 32 2HG PRO 32 11.399 -8.617 1.318 177 1HD PRO 32 1HD PRO 32 8.738 -7.849 1.076 178 2HD PRO 32 2HD PRO 32 10.064 -6.909 1.815 179 H ALA 33 H ALA 33 8.671 -8.252 -1.324 180 HA ALA 33 HA ALA 33 8.372 -8.467 -4.230 181 1HB ALA 33 1HB ALA 33 6.654 -10.134 -3.600 182 2HB ALA 33 2HB ALA 33 8.179 -10.457 -2.743 183 3HB ALA 33 3HB ALA 33 6.813 -9.661 -1.907 184 H GLY 34 H GLY 34 7.411 -6.003 -2.235 185 1HA GLY 34 1HA GLY 34 5.567 -4.587 -2.117 186 2HA GLY 34 2HA GLY 34 4.573 -6.014 -2.339 187 H CYS 35 H CYS 35 6.926 -4.442 -4.543 188 HA CYS 35 HA CYS 35 5.240 -3.366 -6.456 189 1HB CYS 35 1HB CYS 35 7.853 -4.839 -6.943 190 2HB CYS 35 2HB CYS 35 7.174 -3.597 -7.978 191 H SER 36 H SER 36 5.726 -6.754 -5.845 192 HA SER 36 HA SER 36 4.780 -7.553 -8.512 193 1HB SER 36 1HB SER 36 6.843 -8.530 -7.448 194 2HB SER 36 2HB SER 36 5.806 -9.268 -6.228 195 HG SER 36 HG SER 36 6.378 -10.593 -8.048 196 H ASN 37 H ASN 37 3.819 -7.117 -5.205 197 HA ASN 37 HA ASN 37 1.543 -8.961 -5.216 198 1HB ASN 37 1HB ASN 37 2.967 -7.365 -3.220 199 2HB ASN 37 2HB ASN 37 1.275 -6.916 -3.181 200 1HD2 ASN 37 2HD2 ASN 37 -0.168 -8.249 -2.030 201 2HD2 ASN 37 1HD2 ASN 37 0.213 -9.895 -1.634 202 H SER 38 H SER 38 0.247 -8.358 -6.955 203 HA SER 38 HA SER 38 -0.040 -5.821 -8.097 204 1HB SER 38 1HB SER 38 -0.769 -8.270 -8.811 205 2HB SER 38 2HB SER 38 -2.331 -7.794 -8.126 206 HG SER 38 HG SER 38 -1.080 -7.102 -10.441 207 H ASP 39 H ASP 39 -1.816 -7.221 -5.298 208 HA ASP 39 HA ASP 39 -3.869 -5.217 -5.150 209 1HB ASP 39 1HB ASP 39 -4.029 -7.315 -3.880 210 2HB ASP 39 2HB ASP 39 -2.596 -6.892 -2.946 211 H CYS 40 H CYS 40 -0.495 -5.164 -4.161 212 HA CYS 40 HA CYS 40 -0.864 -2.618 -2.667 213 1HB CYS 40 1HB CYS 40 1.234 -4.802 -2.503 214 2HB CYS 40 2HB CYS 40 1.486 -3.215 -1.804 215 H THR 41 H THR 41 0.179 -3.900 -5.637 216 HA THR 41 HA THR 41 2.544 -2.560 -6.101 217 HB THR 41 HB THR 41 0.286 -3.606 -7.840 218 HG1 THR 41 HG1 THR 41 1.826 -4.904 -6.528 219 1HG2 THR 41 1HG2 THR 41 1.445 -1.921 -9.264 220 2HG2 THR 41 2HG2 THR 41 2.960 -2.795 -8.978 221 3HG2 THR 41 3HG2 THR 41 1.581 -3.630 -9.767 222 H ALA 42 H ALA 42 -0.805 -1.375 -6.995 223 HA ALA 42 HA ALA 42 0.364 1.005 -8.194 224 1HB ALA 42 1HB ALA 42 -1.694 0.161 -9.115 225 2HB ALA 42 2HB ALA 42 -1.956 1.780 -8.430 226 3HB ALA 42 3HB ALA 42 -2.500 0.357 -7.543 227 H PHE 43 H PHE 43 -0.836 0.156 -4.991 228 HA PHE 43 HA PHE 43 -0.822 2.840 -3.940 229 1HB PHE 43 1HB PHE 43 -1.833 1.050 -2.635 230 2HB PHE 43 2HB PHE 43 -0.328 0.138 -2.597 231 HD1 PHE 43 HD1 PHE 43 -2.272 2.534 -0.730 232 HD2 PHE 43 HD2 PHE 43 1.631 0.898 -1.375 233 HE1 PHE 43 HE1 PHE 43 -1.545 3.422 1.455 234 HE2 PHE 43 HE2 PHE 43 2.399 1.850 0.747 235 HZ PHE 43 HZ PHE 43 0.835 3.082 2.200 236 H LEU 44 H LEU 44 1.713 0.257 -3.726 237 HA LEU 44 HA LEU 44 3.666 2.013 -2.873 238 1HB LEU 44 1HB LEU 44 3.937 -0.561 -4.458 239 2HB LEU 44 2HB LEU 44 5.274 0.210 -3.615 240 HG LEU 44 HG LEU 44 2.720 -0.785 -2.252 241 1HD1 LEU 44 1HD1 LEU 44 5.424 -2.055 -2.637 242 2HD1 LEU 44 2HD1 LEU 44 4.232 -2.601 -1.433 243 3HD1 LEU 44 3HD1 LEU 44 3.847 -2.625 -3.164 244 1HD2 LEU 44 1HD2 LEU 44 3.826 1.137 -1.048 245 2HD2 LEU 44 2HD2 LEU 44 3.709 -0.346 -0.180 246 3HD2 LEU 44 3HD2 LEU 44 5.269 0.130 -0.904 247 H SER 45 H SER 45 2.794 1.382 -6.245 248 HA SER 45 HA SER 45 4.899 2.573 -7.629 249 1HB SER 45 1HB SER 45 1.899 2.314 -7.985 250 2HB SER 45 2HB SER 45 2.934 2.942 -9.226 251 HG SER 45 HG SER 45 3.204 0.379 -8.099 252 H GLN 46 H GLN 46 2.290 3.995 -5.685 253 HA GLN 46 HA GLN 46 3.145 6.756 -6.327 254 1HB GLN 46 1HB GLN 46 0.827 5.628 -4.684 255 2HB GLN 46 2HB GLN 46 1.188 7.336 -4.804 256 1HG GLN 46 1HG GLN 46 1.164 6.966 -7.395 257 2HG GLN 46 2HG GLN 46 0.372 5.437 -7.031 258 1HE2 GLN 46 2HE2 GLN 46 -1.882 5.497 -6.557 259 2HE2 GLN 46 1HE2 GLN 46 -2.791 7.011 -6.482 260 H CYS 47 H CYS 47 2.855 4.695 -3.348 261 HA CYS 47 HA CYS 47 4.179 6.684 -1.811 262 1HB CYS 47 1HB CYS 47 3.974 3.879 -0.733 263 2HB CYS 47 2HB CYS 47 3.723 5.455 0.038 264 H TYR 48 H TYR 48 5.686 4.460 -3.811 265 HA TYR 48 HA TYR 48 8.336 4.999 -2.553 266 1HB TYR 48 1HB TYR 48 7.277 2.368 -3.487 267 2HB TYR 48 2HB TYR 48 8.975 2.746 -3.621 268 HD1 TYR 48 HD1 TYR 48 6.212 2.195 -1.279 269 HD2 TYR 48 HD2 TYR 48 10.418 3.029 -1.640 270 HE1 TYR 48 HE1 TYR 48 6.597 1.227 0.910 271 HE2 TYR 48 HE2 TYR 48 10.796 2.228 0.663 272 HH TYR 48 HH TYR 48 8.609 0.239 2.283 273 H GLY 49 H GLY 49 6.294 4.855 -5.415 274 1HA GLY 49 1HA GLY 49 8.572 5.552 -7.182 275 2HA GLY 49 2HA GLY 49 6.870 5.822 -7.535 276 H GLY 50 H GLY 50 7.372 2.828 -6.008 277 1HA GLY 50 1HA GLY 50 7.156 1.237 -8.474 278 2HA GLY 50 2HA GLY 50 7.103 0.638 -6.810 279 H CYS 51 H CYS 51 8.897 -0.248 -6.026 280 HA CYS 51 HA CYS 51 11.333 0.586 -5.656 281 1HB CYS 51 1HB CYS 51 12.080 -1.784 -5.615 282 2HB CYS 51 2HB CYS 51 10.665 -1.407 -4.644 No H/Q in entry = 282 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -9.385 -5.809 -2.978 2 H2 GLY 1 H2 GLY 1 -9.293 -7.387 -3.455 3 H3 GLY 1 H3 GLY 1 -10.009 -6.968 -2.007 4 1HA GLY 1 1HA GLY 1 -7.161 -6.769 -2.701 5 2HA GLY 1 2HA GLY 1 -7.906 -7.852 -1.508 6 H GLU 2 H GLU 2 -6.601 -6.874 0.198 7 HA GLU 2 HA GLU 2 -8.187 -5.014 1.593 8 1HB GLU 2 1HB GLU 2 -6.403 -4.988 3.287 9 2HB GLU 2 2HB GLU 2 -6.860 -6.632 2.789 10 1HG GLU 2 1HG GLU 2 -4.831 -6.134 1.072 11 2HG GLU 2 2HG GLU 2 -4.286 -5.128 2.400 12 H CYS 3 H CYS 3 -5.248 -4.462 -0.343 13 HA CYS 3 HA CYS 3 -5.106 -1.713 0.610 14 1HB CYS 3 1HB CYS 3 -3.110 -3.069 0.202 15 2HB CYS 3 2HB CYS 3 -3.572 -3.267 -1.477 16 H GLU 4 H GLU 4 -6.056 -3.468 -2.397 17 HA GLU 4 HA GLU 4 -6.687 -1.211 -4.003 18 1HB GLU 4 1HB GLU 4 -7.767 -4.074 -3.894 19 2HB GLU 4 2HB GLU 4 -8.360 -2.907 -5.072 20 1HG GLU 4 1HG GLU 4 -6.178 -2.606 -6.027 21 2HG GLU 4 2HG GLU 4 -5.425 -3.619 -4.804 22 H GLN 5 H GLN 5 -8.612 -2.954 -1.585 23 HA GLN 5 HA GLN 5 -11.124 -1.714 -1.913 24 1HB GLN 5 1HB GLN 5 -10.531 -3.741 -0.558 25 2HB GLN 5 2HB GLN 5 -9.750 -2.703 0.631 26 1HG GLN 5 1HG GLN 5 -11.857 -3.323 1.497 27 2HG GLN 5 2HG GLN 5 -11.992 -1.631 1.016 28 1HE2 GLN 5 2HE2 GLN 5 -13.663 -1.120 -0.457 29 2HE2 GLN 5 1HE2 GLN 5 -14.615 -2.298 -1.311 30 H CYS 6 H CYS 6 -8.275 -0.761 -0.026 31 HA CYS 6 HA CYS 6 -9.535 1.490 1.253 32 1HB CYS 6 1HB CYS 6 -7.417 0.055 1.903 33 2HB CYS 6 2HB CYS 6 -6.579 1.151 0.832 34 H PHE 7 H PHE 7 -7.451 1.076 -1.639 35 HA PHE 7 HA PHE 7 -7.247 3.843 -2.346 36 1HB PHE 7 1HB PHE 7 -6.460 1.279 -3.458 37 2HB PHE 7 2HB PHE 7 -7.269 2.199 -4.710 38 HD1 PHE 7 HD1 PHE 7 -6.248 4.207 -5.677 39 HD2 PHE 7 HD2 PHE 7 -4.523 2.241 -2.270 40 HE1 PHE 7 HE1 PHE 7 -4.173 5.507 -6.009 41 HE2 PHE 7 HE2 PHE 7 -2.415 3.623 -2.593 42 HZ PHE 7 HZ PHE 7 -2.260 5.211 -4.432 43 H SER 8 H SER 8 -9.628 1.347 -3.086 44 HA SER 8 HA SER 8 -11.092 2.717 -5.080 45 1HB SER 8 1HB SER 8 -12.037 0.672 -3.003 46 2HB SER 8 2HB SER 8 -12.920 1.139 -4.475 47 HG SER 8 HG SER 8 -10.321 -0.031 -4.280 48 H ASP 9 H ASP 9 -11.196 2.976 -1.548 49 HA ASP 9 HA ASP 9 -13.309 5.007 -1.511 50 1HB ASP 9 1HB ASP 9 -12.770 3.104 0.169 51 2HB ASP 9 2HB ASP 9 -11.485 4.138 0.758 52 H GLY 10 H GLY 10 -10.984 5.673 -3.153 53 1HA GLY 10 1HA GLY 10 -10.582 8.352 -2.323 54 2HA GLY 10 2HA GLY 10 -9.741 7.521 -3.627 55 H GLY 11 H GLY 11 -8.762 5.481 -1.454 56 1HA GLY 11 1HA GLY 11 -7.018 5.242 0.022 57 2HA GLY 11 2HA GLY 11 -7.104 6.978 0.359 58 H ASP 12 H ASP 12 -4.788 7.352 0.233 59 HA ASP 12 HA ASP 12 -3.793 7.296 -2.577 60 1HB ASP 12 1HB ASP 12 -2.403 9.286 -1.687 61 2HB ASP 12 2HB ASP 12 -4.095 9.532 -2.075 62 H CYS 13 H CYS 13 -2.367 7.783 0.646 63 HA CYS 13 HA CYS 13 -1.022 5.276 0.563 64 1HB CYS 13 1HB CYS 13 0.651 6.541 -0.716 65 2HB CYS 13 2HB CYS 13 0.771 7.730 0.579 66 H THR 14 H THR 14 -0.928 8.559 2.097 67 HA THR 14 HA THR 14 -0.538 7.680 4.739 68 HB THR 14 HB THR 14 -1.933 10.143 3.592 69 HG1 THR 14 HG1 THR 14 0.037 11.043 3.841 70 1HG2 THR 14 1HG2 THR 14 -0.989 9.623 6.460 71 2HG2 THR 14 2HG2 THR 14 -1.439 11.216 5.810 72 3HG2 THR 14 3HG2 THR 14 -2.649 9.946 5.926 73 H THR 15 H THR 15 -3.744 8.332 3.050 74 HA THR 15 HA THR 15 -5.003 7.658 5.603 75 HB THR 15 HB THR 15 -5.517 9.519 3.914 76 HG1 THR 15 HG1 THR 15 -6.771 8.754 5.794 77 1HG2 THR 15 1HG2 THR 15 -5.827 8.017 1.917 78 2HG2 THR 15 2HG2 THR 15 -7.389 7.539 2.610 79 3HG2 THR 15 3HG2 THR 15 -7.097 9.221 2.199 80 H CYS 16 H CYS 16 -3.563 5.573 4.489 81 HA CYS 16 HA CYS 16 -5.502 3.402 4.704 82 1HB CYS 16 1HB CYS 16 -3.678 3.772 2.310 83 2HB CYS 16 2HB CYS 16 -4.320 2.193 2.794 84 H PHE 17 H PHE 17 -1.956 4.305 4.225 85 HA PHE 17 HA PHE 17 -0.939 2.101 5.558 86 1HB PHE 17 1HB PHE 17 0.445 3.803 4.392 87 2HB PHE 17 2HB PHE 17 0.121 4.961 5.676 88 HD1 PHE 17 HD1 PHE 17 2.001 5.216 7.191 89 HD2 PHE 17 HD2 PHE 17 1.157 1.391 5.444 90 HE1 PHE 17 HE1 PHE 17 3.935 4.203 8.396 91 HE2 PHE 17 HE2 PHE 17 3.034 0.357 6.747 92 HZ PHE 17 HZ PHE 17 4.446 1.802 8.150 93 H ASN 18 H ASN 18 -2.188 5.114 6.999 94 HA ASN 18 HA ASN 18 -2.947 5.599 9.085 95 1HB ASN 18 1HB ASN 18 -4.075 3.215 8.495 96 2HB ASN 18 2HB ASN 18 -3.105 2.736 9.883 97 1HD2 ASN 18 2HD2 ASN 18 -6.115 3.626 9.036 98 2HD2 ASN 18 1HD2 ASN 18 -6.664 4.555 10.415 99 H ASN 19 H ASN 19 -0.085 5.257 8.665 100 HA ASN 19 HA ASN 19 1.834 4.741 9.574 101 1HB ASN 19 1HB ASN 19 1.152 6.670 10.915 102 2HB ASN 19 2HB ASN 19 0.654 5.547 12.214 103 1HD2 ASN 19 2HD2 ASN 19 2.338 4.709 13.570 104 2HD2 ASN 19 1HD2 ASN 19 4.038 5.035 13.251 105 H GLY 20 H GLY 20 1.195 2.544 8.895 106 1HA GLY 20 1HA GLY 20 2.574 0.934 10.795 107 2HA GLY 20 2HA GLY 20 2.156 0.512 9.151 108 H THR 21 H THR 21 -0.800 1.258 10.405 109 HA THR 21 HA THR 21 -1.253 -1.545 11.303 110 HB THR 21 HB THR 21 -1.095 0.093 13.131 111 HG1 THR 21 HG1 THR 21 -3.417 -1.481 12.776 112 1HG2 THR 21 1HG2 THR 21 -2.456 1.840 12.088 113 2HG2 THR 21 2HG2 THR 21 -3.855 0.744 12.089 114 3HG2 THR 21 3HG2 THR 21 -3.173 1.306 13.628 115 H GLY 22 H GLY 22 -2.103 0.609 8.822 116 1HA GLY 22 1HA GLY 22 -3.959 0.733 7.503 117 2HA GLY 22 2HA GLY 22 -4.847 -0.341 8.561 118 HA PRO 23 HA PRO 23 -4.572 -3.460 5.590 119 1HB PRO 23 1HB PRO 23 -5.495 -2.685 3.126 120 2HB PRO 23 2HB PRO 23 -6.515 -2.800 4.593 121 1HG PRO 23 1HG PRO 23 -5.345 -0.372 3.269 122 2HG PRO 23 2HG PRO 23 -6.926 -0.555 4.067 123 1HD PRO 23 1HD PRO 23 -4.609 0.520 5.161 124 2HD PRO 23 2HD PRO 23 -6.011 -0.012 6.123 125 H CYS 24 H CYS 24 -3.410 -0.824 3.400 126 HA CYS 24 HA CYS 24 -1.118 -2.442 2.486 127 1HB CYS 24 1HB CYS 24 -2.461 -0.023 1.527 128 2HB CYS 24 2HB CYS 24 -0.766 0.305 1.796 129 H ALA 25 H ALA 25 -0.470 -2.843 4.739 130 HA ALA 25 HA ALA 25 1.186 -0.588 5.774 131 1HB ALA 25 1HB ALA 25 0.984 -1.507 8.017 132 2HB ALA 25 2HB ALA 25 -0.217 -2.680 7.410 133 3HB ALA 25 3HB ALA 25 -0.554 -0.920 7.366 134 H ASN 26 H ASN 26 1.045 -4.206 5.915 135 HA ASN 26 HA ASN 26 3.802 -4.538 6.320 136 1HB ASN 26 1HB ASN 26 1.861 -6.261 4.673 137 2HB ASN 26 2HB ASN 26 3.532 -6.702 4.977 138 1HD2 ASN 26 2HD2 ASN 26 0.311 -6.547 6.476 139 2HD2 ASN 26 1HD2 ASN 26 0.861 -7.162 8.013 140 H CYS 27 H CYS 27 2.038 -3.878 3.348 141 HA CYS 27 HA CYS 27 4.096 -4.192 1.467 142 1HB CYS 27 1HB CYS 27 1.803 -2.246 1.084 143 2HB CYS 27 2HB CYS 27 2.813 -3.058 -0.061 144 H LEU 28 H LEU 28 4.137 -1.688 4.005 145 HA LEU 28 HA LEU 28 5.999 -0.122 2.394 146 1HB LEU 28 1HB LEU 28 4.723 0.088 5.148 147 2HB LEU 28 2HB LEU 28 5.931 1.216 4.561 148 HG LEU 28 HG LEU 28 3.659 1.972 4.360 149 1HD1 LEU 28 1HD1 LEU 28 5.589 2.618 2.728 150 2HD1 LEU 28 2HD1 LEU 28 4.687 1.626 1.556 151 3HD1 LEU 28 3HD1 LEU 28 3.938 3.076 2.260 152 1HD2 LEU 28 1HD2 LEU 28 2.553 -0.174 3.715 153 2HD2 LEU 28 2HD2 LEU 28 2.026 1.266 2.856 154 3HD2 LEU 28 3HD2 LEU 28 3.138 0.141 2.043 155 H ALA 29 H ALA 29 5.941 -1.992 5.476 156 HA ALA 29 HA ALA 29 8.727 -1.329 6.003 157 1HB ALA 29 1HB ALA 29 8.411 -2.817 7.977 158 2HB ALA 29 2HB ALA 29 6.757 -3.166 7.419 159 3HB ALA 29 3HB ALA 29 7.217 -1.513 7.872 160 H GLY 30 H GLY 30 7.237 -4.626 5.927 161 1HA GLY 30 1HA GLY 30 8.338 -6.595 5.394 162 2HA GLY 30 2HA GLY 30 9.741 -5.666 4.834 163 H TYR 31 H TYR 31 9.131 -4.145 2.818 164 HA TYR 31 HA TYR 31 7.119 -5.510 1.109 165 1HB TYR 31 1HB TYR 31 6.544 -3.555 0.347 166 2HB TYR 31 2HB TYR 31 7.009 -2.996 1.938 167 HD1 TYR 31 HD1 TYR 31 6.584 -1.505 -0.641 168 HD2 TYR 31 HD2 TYR 31 10.158 -3.151 1.018 169 HE1 TYR 31 HE1 TYR 31 7.860 0.120 -1.981 170 HE2 TYR 31 HE2 TYR 31 11.496 -1.470 -0.257 171 HH TYR 31 HH TYR 31 11.324 0.550 -1.768 172 HA PRO 32 HA PRO 32 11.111 -5.667 -1.282 173 1HB PRO 32 1HB PRO 32 11.791 -8.376 -1.350 174 2HB PRO 32 2HB PRO 32 12.468 -7.153 -0.236 175 1HG PRO 32 1HG PRO 32 10.321 -9.196 0.303 176 2HG PRO 32 2HG PRO 32 11.578 -8.518 1.401 177 1HD PRO 32 1HD PRO 32 8.923 -7.709 1.373 178 2HD PRO 32 2HD PRO 32 10.300 -6.734 1.990 179 H ALA 33 H ALA 33 8.333 -7.742 -1.032 180 HA ALA 33 HA ALA 33 8.246 -8.381 -3.936 181 1HB ALA 33 1HB ALA 33 6.488 -10.013 -3.163 182 2HB ALA 33 2HB ALA 33 8.084 -10.282 -2.435 183 3HB ALA 33 3HB ALA 33 6.794 -9.498 -1.498 184 H GLY 34 H GLY 34 7.079 -5.881 -2.031 185 1HA GLY 34 1HA GLY 34 5.223 -4.532 -2.056 186 2HA GLY 34 2HA GLY 34 4.304 -5.988 -2.404 187 H CYS 35 H CYS 35 6.754 -4.378 -4.436 188 HA CYS 35 HA CYS 35 5.095 -3.229 -6.400 189 1HB CYS 35 1HB CYS 35 7.734 -4.649 -6.819 190 2HB CYS 35 2HB CYS 35 7.080 -3.405 -7.847 191 H SER 36 H SER 36 5.524 -6.607 -5.758 192 HA SER 36 HA SER 36 4.656 -7.315 -8.472 193 1HB SER 36 1HB SER 36 6.848 -8.161 -7.370 194 2HB SER 36 2HB SER 36 5.792 -9.218 -6.423 195 HG SER 36 HG SER 36 5.784 -9.035 -9.271 196 H ASN 37 H ASN 37 3.657 -6.965 -5.235 197 HA ASN 37 HA ASN 37 1.481 -8.944 -5.249 198 1HB ASN 37 1HB ASN 37 2.854 -7.489 -3.202 199 2HB ASN 37 2HB ASN 37 1.310 -6.734 -3.268 200 1HD2 ASN 37 2HD2 ASN 37 -0.594 -7.825 -2.602 201 2HD2 ASN 37 1HD2 ASN 37 -0.576 -9.489 -2.091 202 H SER 38 H SER 38 0.044 -8.378 -6.981 203 HA SER 38 HA SER 38 -0.143 -5.827 -8.133 204 1HB SER 38 1HB SER 38 -0.957 -8.087 -9.014 205 2HB SER 38 2HB SER 38 -2.409 -7.874 -8.024 206 HG SER 38 HG SER 38 -1.380 -6.165 -10.057 207 H ASP 39 H ASP 39 -2.067 -7.174 -5.404 208 HA ASP 39 HA ASP 39 -3.908 -5.050 -5.139 209 1HB ASP 39 1HB ASP 39 -4.258 -7.124 -3.999 210 2HB ASP 39 2HB ASP 39 -2.757 -6.960 -3.093 211 H CYS 40 H CYS 40 -0.524 -5.160 -4.146 212 HA CYS 40 HA CYS 40 -0.804 -2.590 -2.651 213 1HB CYS 40 1HB CYS 40 1.330 -4.765 -2.492 214 2HB CYS 40 2HB CYS 40 1.556 -3.147 -1.845 215 H THR 41 H THR 41 0.168 -3.898 -5.641 216 HA THR 41 HA THR 41 2.542 -2.538 -6.151 217 HB THR 41 HB THR 41 0.309 -3.648 -7.866 218 HG1 THR 41 HG1 THR 41 1.783 -4.928 -6.469 219 1HG2 THR 41 1HG2 THR 41 1.535 -2.045 -9.298 220 2HG2 THR 41 2HG2 THR 41 3.041 -2.919 -8.929 221 3HG2 THR 41 3HG2 THR 41 1.694 -3.753 -9.742 222 H ALA 42 H ALA 42 -0.839 -1.445 -7.108 223 HA ALA 42 HA ALA 42 0.290 0.928 -8.327 224 1HB ALA 42 1HB ALA 42 -1.822 0.193 -9.151 225 2HB ALA 42 2HB ALA 42 -2.075 1.761 -8.350 226 3HB ALA 42 3HB ALA 42 -2.543 0.256 -7.537 227 H PHE 43 H PHE 43 -0.960 0.216 -5.058 228 HA PHE 43 HA PHE 43 -0.815 2.862 -4.008 229 1HB PHE 43 1HB PHE 43 -1.796 1.044 -2.731 230 2HB PHE 43 2HB PHE 43 -0.274 0.161 -2.703 231 HD1 PHE 43 HD1 PHE 43 -2.295 2.386 -0.804 232 HD2 PHE 43 HD2 PHE 43 1.735 1.138 -1.505 233 HE1 PHE 43 HE1 PHE 43 -1.643 3.223 1.429 234 HE2 PHE 43 HE2 PHE 43 2.427 2.079 0.653 235 HZ PHE 43 HZ PHE 43 0.755 3.074 2.153 236 H LEU 44 H LEU 44 1.737 0.287 -3.898 237 HA LEU 44 HA LEU 44 3.678 2.105 -3.034 238 1HB LEU 44 1HB LEU 44 3.945 -0.542 -4.503 239 2HB LEU 44 2HB LEU 44 5.284 0.283 -3.719 240 HG LEU 44 HG LEU 44 2.749 -0.704 -2.296 241 1HD1 LEU 44 1HD1 LEU 44 5.496 -1.894 -2.619 242 2HD1 LEU 44 2HD1 LEU 44 4.337 -2.428 -1.386 243 3HD1 LEU 44 3HD1 LEU 44 3.924 -2.548 -3.102 244 1HD2 LEU 44 1HD2 LEU 44 3.929 1.301 -1.176 245 2HD2 LEU 44 2HD2 LEU 44 3.649 -0.135 -0.251 246 3HD2 LEU 44 3HD2 LEU 44 5.270 0.181 -0.914 247 H SER 45 H SER 45 2.777 1.350 -6.375 248 HA SER 45 HA SER 45 4.897 2.583 -7.737 249 1HB SER 45 1HB SER 45 1.924 2.120 -8.173 250 2HB SER 45 2HB SER 45 2.914 2.805 -9.410 251 HG SER 45 HG SER 45 3.529 0.356 -8.146 252 H GLN 46 H GLN 46 1.884 3.963 -6.202 253 HA GLN 46 HA GLN 46 2.688 6.702 -6.800 254 1HB GLN 46 1HB GLN 46 0.842 5.736 -4.587 255 2HB GLN 46 2HB GLN 46 1.034 7.377 -5.163 256 1HG GLN 46 1HG GLN 46 -0.161 5.066 -6.740 257 2HG GLN 46 2HG GLN 46 -1.039 6.352 -5.937 258 1HE2 GLN 46 2HE2 GLN 46 -1.342 5.673 -8.745 259 2HE2 GLN 46 1HE2 GLN 46 -1.104 7.209 -9.479 260 H CYS 47 H CYS 47 2.630 4.915 -3.667 261 HA CYS 47 HA CYS 47 3.899 6.953 -2.346 262 1HB CYS 47 1HB CYS 47 2.613 4.771 -1.498 263 2HB CYS 47 2HB CYS 47 4.267 4.214 -1.122 264 H TYR 48 H TYR 48 5.580 4.059 -3.654 265 HA TYR 48 HA TYR 48 8.197 5.032 -2.632 266 1HB TYR 48 1HB TYR 48 7.217 2.425 -3.669 267 2HB TYR 48 2HB TYR 48 8.909 2.857 -3.784 268 HD1 TYR 48 HD1 TYR 48 10.309 3.203 -1.776 269 HD2 TYR 48 HD2 TYR 48 6.121 2.267 -1.467 270 HE1 TYR 48 HE1 TYR 48 10.674 2.449 0.540 271 HE2 TYR 48 HE2 TYR 48 6.489 1.354 0.761 272 HH TYR 48 HH TYR 48 8.538 0.436 2.202 273 H GLY 49 H GLY 49 6.252 5.063 -5.513 274 1HA GLY 49 1HA GLY 49 8.518 5.838 -7.258 275 2HA GLY 49 2HA GLY 49 6.815 5.902 -7.673 276 H GLY 50 H GLY 50 7.459 3.001 -6.054 277 1HA GLY 50 1HA GLY 50 7.409 1.375 -8.504 278 2HA GLY 50 2HA GLY 50 7.228 0.821 -6.836 279 H CYS 51 H CYS 51 8.894 -0.090 -5.896 280 HA CYS 51 HA CYS 51 11.333 0.598 -5.373 281 1HB CYS 51 1HB CYS 51 11.900 -1.806 -5.105 282 2HB CYS 51 2HB CYS 51 10.426 -1.275 -4.314 No H/Q in entry = 282 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -8.659 -8.421 -2.270 2 H2 GLY 1 H2 GLY 1 -7.370 -8.830 -3.224 3 H3 GLY 1 H3 GLY 1 -7.349 -9.174 -1.613 4 1HA GLY 1 1HA GLY 1 -7.251 -6.523 -2.863 5 2HA GLY 1 2HA GLY 1 -5.965 -7.335 -1.962 6 H GLU 2 H GLU 2 -5.779 -5.840 -0.387 7 HA GLU 2 HA GLU 2 -8.097 -5.024 1.250 8 1HB GLU 2 1HB GLU 2 -6.607 -4.846 3.157 9 2HB GLU 2 2HB GLU 2 -6.833 -6.520 2.537 10 1HG GLU 2 1HG GLU 2 -4.612 -5.850 1.237 11 2HG GLU 2 2HG GLU 2 -4.379 -4.817 2.637 12 H CYS 3 H CYS 3 -4.934 -4.277 -0.225 13 HA CYS 3 HA CYS 3 -4.933 -1.555 0.700 14 1HB CYS 3 1HB CYS 3 -2.926 -2.865 0.153 15 2HB CYS 3 2HB CYS 3 -3.390 -2.831 -1.550 16 H GLU 4 H GLU 4 -5.863 -3.374 -2.251 17 HA GLU 4 HA GLU 4 -6.816 -1.281 -3.917 18 1HB GLU 4 1HB GLU 4 -7.732 -4.165 -3.535 19 2HB GLU 4 2HB GLU 4 -8.408 -3.078 -4.772 20 1HG GLU 4 1HG GLU 4 -6.166 -2.740 -5.741 21 2HG GLU 4 2HG GLU 4 -5.462 -3.779 -4.509 22 H GLN 5 H GLN 5 -8.605 -3.045 -1.308 23 HA GLN 5 HA GLN 5 -11.011 -1.665 -1.756 24 1HB GLN 5 1HB GLN 5 -10.766 -3.769 -0.420 25 2HB GLN 5 2HB GLN 5 -9.999 -2.851 0.870 26 1HG GLN 5 1HG GLN 5 -12.346 -3.316 1.376 27 2HG GLN 5 2HG GLN 5 -12.085 -1.585 1.240 28 1HE2 GLN 5 2HE2 GLN 5 -12.909 -0.480 -0.764 29 2HE2 GLN 5 1HE2 GLN 5 -14.052 -1.330 -1.805 30 H CYS 6 H CYS 6 -8.158 -0.715 0.098 31 HA CYS 6 HA CYS 6 -9.372 1.567 1.390 32 1HB CYS 6 1HB CYS 6 -7.251 0.452 2.096 33 2HB CYS 6 2HB CYS 6 -6.438 1.168 0.696 34 H PHE 7 H PHE 7 -7.358 1.193 -1.549 35 HA PHE 7 HA PHE 7 -7.367 3.888 -2.387 36 1HB PHE 7 1HB PHE 7 -6.766 1.261 -3.575 37 2HB PHE 7 2HB PHE 7 -7.540 2.320 -4.729 38 HD1 PHE 7 HD1 PHE 7 -4.599 1.997 -2.473 39 HD2 PHE 7 HD2 PHE 7 -6.499 4.342 -5.561 40 HE1 PHE 7 HE1 PHE 7 -2.519 3.305 -2.807 41 HE2 PHE 7 HE2 PHE 7 -4.393 5.641 -5.852 42 HZ PHE 7 HZ PHE 7 -2.381 5.064 -4.521 43 H SER 8 H SER 8 -9.696 1.272 -3.036 44 HA SER 8 HA SER 8 -11.318 2.676 -4.784 45 1HB SER 8 1HB SER 8 -11.179 0.187 -4.182 46 2HB SER 8 2HB SER 8 -12.316 0.537 -2.868 47 HG SER 8 HG SER 8 -12.724 1.222 -5.604 48 H ASP 9 H ASP 9 -11.256 2.985 -1.242 49 HA ASP 9 HA ASP 9 -13.775 4.574 -1.325 50 1HB ASP 9 1HB ASP 9 -13.193 2.917 0.534 51 2HB ASP 9 2HB ASP 9 -12.000 4.092 1.085 52 H GLY 10 H GLY 10 -11.452 5.357 -2.883 53 1HA GLY 10 1HA GLY 10 -11.460 8.149 -2.501 54 2HA GLY 10 2HA GLY 10 -10.386 7.217 -3.550 55 H GLY 11 H GLY 11 -8.845 5.735 -1.937 56 1HA GLY 11 1HA GLY 11 -7.429 5.963 0.108 57 2HA GLY 11 2HA GLY 11 -7.480 7.711 -0.149 58 H ASP 12 H ASP 12 -5.038 7.519 -0.216 59 HA ASP 12 HA ASP 12 -4.056 6.261 -2.728 60 1HB ASP 12 1HB ASP 12 -3.051 8.915 -1.735 61 2HB ASP 12 2HB ASP 12 -2.347 7.942 -3.014 62 H CYS 13 H CYS 13 -1.945 7.938 -0.496 63 HA CYS 13 HA CYS 13 -0.890 5.296 0.416 64 1HB CYS 13 1HB CYS 13 0.492 7.979 0.057 65 2HB CYS 13 2HB CYS 13 1.235 6.557 0.784 66 H THR 14 H THR 14 -0.999 8.683 1.488 67 HA THR 14 HA THR 14 -0.443 8.094 4.198 68 HB THR 14 HB THR 14 -1.419 10.548 2.714 69 HG1 THR 14 HG1 THR 14 0.754 10.852 2.368 70 1HG2 THR 14 1HG2 THR 14 -0.039 10.363 5.436 71 2HG2 THR 14 2HG2 THR 14 -0.260 11.854 4.508 72 3HG2 THR 14 3HG2 THR 14 -1.670 10.989 5.124 73 H THR 15 H THR 15 -3.471 8.182 2.497 74 HA THR 15 HA THR 15 -4.830 7.809 5.154 75 HB THR 15 HB THR 15 -5.467 9.667 3.538 76 HG1 THR 15 HG1 THR 15 -7.732 9.216 3.927 77 1HG2 THR 15 1HG2 THR 15 -5.488 8.183 1.468 78 2HG2 THR 15 2HG2 THR 15 -7.035 7.566 2.070 79 3HG2 THR 15 3HG2 THR 15 -6.867 9.274 1.698 80 H CYS 16 H CYS 16 -3.157 5.702 3.887 81 HA CYS 16 HA CYS 16 -5.126 3.520 4.026 82 1HB CYS 16 1HB CYS 16 -3.407 4.200 1.605 83 2HB CYS 16 2HB CYS 16 -3.957 2.557 1.913 84 H PHE 17 H PHE 17 -2.815 4.608 5.647 85 HA PHE 17 HA PHE 17 -1.304 2.028 5.794 86 1HB PHE 17 1HB PHE 17 0.068 3.672 4.543 87 2HB PHE 17 2HB PHE 17 -0.076 4.820 5.871 88 HD1 PHE 17 HD1 PHE 17 0.650 1.165 5.736 89 HD2 PHE 17 HD2 PHE 17 2.066 5.034 6.900 90 HE1 PHE 17 HE1 PHE 17 2.636 0.092 6.878 91 HE2 PHE 17 HE2 PHE 17 4.076 3.977 7.939 92 HZ PHE 17 HZ PHE 17 4.328 1.512 7.950 93 H ASN 18 H ASN 18 -2.622 4.803 7.436 94 HA ASN 18 HA ASN 18 -2.855 5.511 9.518 95 1HB ASN 18 1HB ASN 18 -4.248 3.430 9.465 96 2HB ASN 18 2HB ASN 18 -2.879 2.603 10.194 97 1HD2 ASN 18 2HD2 ASN 18 -4.375 2.026 11.927 98 2HD2 ASN 18 1HD2 ASN 18 -4.513 3.153 13.271 99 H ASN 19 H ASN 19 -0.048 4.047 8.766 100 HA ASN 19 HA ASN 19 2.053 4.392 9.379 101 1HB ASN 19 1HB ASN 19 1.527 6.412 10.711 102 2HB ASN 19 2HB ASN 19 1.362 5.361 12.132 103 1HD2 ASN 19 2HD2 ASN 19 3.712 6.081 9.420 104 2HD2 ASN 19 1HD2 ASN 19 5.114 5.755 10.407 105 H GLY 20 H GLY 20 1.351 2.145 8.945 106 1HA GLY 20 1HA GLY 20 2.823 0.515 10.783 107 2HA GLY 20 2HA GLY 20 2.113 0.019 9.256 108 H THR 21 H THR 21 -0.561 1.011 10.005 109 HA THR 21 HA THR 21 -1.565 -1.039 11.885 110 HB THR 21 HB THR 21 -2.552 0.990 13.142 111 HG1 THR 21 HG1 THR 21 -1.120 2.854 12.912 112 1HG2 THR 21 1HG2 THR 21 -0.431 -0.349 13.826 113 2HG2 THR 21 2HG2 THR 21 0.462 1.076 13.335 114 3HG2 THR 21 3HG2 THR 21 -0.762 1.209 14.607 115 H GLY 22 H GLY 22 -1.950 -0.310 8.921 116 1HA GLY 22 1HA GLY 22 -3.785 1.243 7.953 117 2HA GLY 22 2HA GLY 22 -4.852 0.118 8.807 118 HA PRO 23 HA PRO 23 -5.321 -2.648 5.894 119 1HB PRO 23 1HB PRO 23 -5.927 -1.751 3.355 120 2HB PRO 23 2HB PRO 23 -7.005 -1.582 4.759 121 1HG PRO 23 1HG PRO 23 -5.199 0.515 3.586 122 2HG PRO 23 2HG PRO 23 -6.851 0.682 4.277 123 1HD PRO 23 1HD PRO 23 -4.563 1.319 5.651 124 2HD PRO 23 2HD PRO 23 -6.061 0.805 6.421 125 H CYS 24 H CYS 24 -3.309 -0.418 3.885 126 HA CYS 24 HA CYS 24 -2.093 -2.663 2.507 127 1HB CYS 24 1HB CYS 24 -1.065 0.178 2.472 128 2HB CYS 24 2HB CYS 24 -0.974 -1.075 1.226 129 H ALA 25 H ALA 25 -1.504 -1.999 5.650 130 HA ALA 25 HA ALA 25 0.907 -0.784 5.791 131 1HB ALA 25 1HB ALA 25 -0.332 -2.720 7.739 132 2HB ALA 25 2HB ALA 25 -0.435 -0.933 7.733 133 3HB ALA 25 3HB ALA 25 1.101 -1.754 8.115 134 H ASN 26 H ASN 26 0.667 -4.344 5.754 135 HA ASN 26 HA ASN 26 3.405 -4.768 6.221 136 1HB ASN 26 1HB ASN 26 3.157 -6.964 5.380 137 2HB ASN 26 2HB ASN 26 1.606 -6.582 6.116 138 1HD2 ASN 26 2HD2 ASN 26 -0.312 -6.205 4.560 139 2HD2 ASN 26 1HD2 ASN 26 -0.088 -6.672 2.890 140 H CYS 27 H CYS 27 1.891 -3.524 3.356 141 HA CYS 27 HA CYS 27 3.914 -4.229 1.426 142 1HB CYS 27 1HB CYS 27 1.844 -2.061 1.134 143 2HB CYS 27 2HB CYS 27 2.786 -2.879 -0.075 144 H LEU 28 H LEU 28 4.052 -1.888 4.030 145 HA LEU 28 HA LEU 28 6.011 -0.270 2.545 146 1HB LEU 28 1HB LEU 28 4.629 -0.087 5.258 147 2HB LEU 28 2HB LEU 28 5.826 1.056 4.697 148 HG LEU 28 HG LEU 28 3.498 1.747 4.482 149 1HD1 LEU 28 1HD1 LEU 28 5.426 2.619 2.997 150 2HD1 LEU 28 2HD1 LEU 28 4.743 1.561 1.733 151 3HD1 LEU 28 3HD1 LEU 28 3.794 2.903 2.386 152 1HD2 LEU 28 1HD2 LEU 28 2.512 -0.426 3.668 153 2HD2 LEU 28 2HD2 LEU 28 1.952 1.039 2.894 154 3HD2 LEU 28 3HD2 LEU 28 3.142 0.014 2.051 155 H ALA 29 H ALA 29 5.730 -1.932 5.689 156 HA ALA 29 HA ALA 29 8.408 -1.267 6.394 157 1HB ALA 29 1HB ALA 29 7.827 -2.327 8.505 158 2HB ALA 29 2HB ALA 29 6.430 -3.142 7.754 159 3HB ALA 29 3HB ALA 29 6.464 -1.369 7.911 160 H GLY 30 H GLY 30 7.282 -3.933 4.597 161 1HA GLY 30 1HA GLY 30 8.788 -6.133 5.268 162 2HA GLY 30 2HA GLY 30 9.949 -5.024 4.489 163 H TYR 31 H TYR 31 9.308 -4.068 2.371 164 HA TYR 31 HA TYR 31 7.029 -5.500 1.071 165 1HB TYR 31 1HB TYR 31 6.492 -3.572 0.217 166 2HB TYR 31 2HB TYR 31 7.166 -2.952 1.702 167 HD1 TYR 31 HD1 TYR 31 10.157 -3.411 0.390 168 HD2 TYR 31 HD2 TYR 31 6.546 -1.430 -0.699 169 HE1 TYR 31 HE1 TYR 31 11.431 -1.854 -1.004 170 HE2 TYR 31 HE2 TYR 31 7.777 0.287 -2.004 171 HH TYR 31 HH TYR 31 9.917 0.926 -2.732 172 HA PRO 32 HA PRO 32 10.647 -6.174 -1.748 173 1HB PRO 32 1HB PRO 32 11.625 -8.726 -1.314 174 2HB PRO 32 2HB PRO 32 12.128 -7.302 -0.346 175 1HG PRO 32 1HG PRO 32 9.983 -9.334 0.351 176 2HG PRO 32 2HG PRO 32 11.349 -8.730 1.384 177 1HD PRO 32 1HD PRO 32 8.846 -7.671 1.539 178 2HD PRO 32 2HD PRO 32 10.316 -6.680 1.729 179 H ALA 33 H ALA 33 7.677 -7.715 -1.021 180 HA ALA 33 HA ALA 33 7.514 -9.017 -3.701 181 1HB ALA 33 1HB ALA 33 5.531 -10.169 -2.795 182 2HB ALA 33 2HB ALA 33 6.940 -10.494 -1.759 183 3HB ALA 33 3HB ALA 33 5.700 -9.310 -1.273 184 H GLY 34 H GLY 34 6.760 -6.107 -2.068 185 1HA GLY 34 1HA GLY 34 5.209 -4.509 -2.269 186 2HA GLY 34 2HA GLY 34 4.065 -5.783 -2.656 187 H CYS 35 H CYS 35 6.911 -4.842 -4.599 188 HA CYS 35 HA CYS 35 5.486 -3.275 -6.529 189 1HB CYS 35 1HB CYS 35 7.998 -4.975 -6.785 190 2HB CYS 35 2HB CYS 35 7.524 -3.698 -7.917 191 H SER 36 H SER 36 6.048 -6.695 -6.115 192 HA SER 36 HA SER 36 5.120 -7.496 -8.763 193 1HB SER 36 1HB SER 36 7.013 -8.534 -7.802 194 2HB SER 36 2HB SER 36 6.231 -8.781 -6.265 195 HG SER 36 HG SER 36 6.441 -10.364 -8.349 196 H ASN 37 H ASN 37 3.859 -7.241 -5.460 197 HA ASN 37 HA ASN 37 1.478 -8.847 -5.860 198 1HB ASN 37 1HB ASN 37 2.707 -7.227 -3.641 199 2HB ASN 37 2HB ASN 37 0.982 -7.211 -3.651 200 1HD2 ASN 37 2HD2 ASN 37 -0.198 -9.213 -3.850 201 2HD2 ASN 37 1HD2 ASN 37 0.361 -10.492 -2.776 202 H SER 38 H SER 38 0.172 -7.998 -7.555 203 HA SER 38 HA SER 38 -0.159 -5.334 -8.271 204 1HB SER 38 1HB SER 38 -2.280 -6.151 -9.331 205 2HB SER 38 2HB SER 38 -0.801 -7.054 -9.718 206 HG SER 38 HG SER 38 -2.958 -7.779 -8.046 207 H ASP 39 H ASP 39 -1.711 -6.965 -5.529 208 HA ASP 39 HA ASP 39 -3.839 -5.150 -4.994 209 1HB ASP 39 1HB ASP 39 -3.808 -7.238 -3.891 210 2HB ASP 39 2HB ASP 39 -2.164 -7.002 -3.291 211 H CYS 40 H CYS 40 -0.370 -4.947 -4.363 212 HA CYS 40 HA CYS 40 -0.717 -2.369 -2.930 213 1HB CYS 40 1HB CYS 40 1.140 -4.696 -2.480 214 2HB CYS 40 2HB CYS 40 1.685 -3.074 -2.074 215 H THR 41 H THR 41 0.561 -3.877 -5.797 216 HA THR 41 HA THR 41 2.689 -2.398 -6.384 217 HB THR 41 HB THR 41 0.345 -3.317 -8.071 218 HG1 THR 41 HG1 THR 41 2.414 -4.708 -8.619 219 1HG2 THR 41 1HG2 THR 41 1.541 -1.622 -9.433 220 2HG2 THR 41 2HG2 THR 41 3.033 -2.568 -9.224 221 3HG2 THR 41 3HG2 THR 41 1.601 -3.302 -10.029 222 H ALA 42 H ALA 42 -0.727 -1.265 -7.027 223 HA ALA 42 HA ALA 42 0.203 1.141 -8.364 224 1HB ALA 42 1HB ALA 42 -2.016 0.091 -8.834 225 2HB ALA 42 2HB ALA 42 -2.544 0.477 -7.180 226 3HB ALA 42 3HB ALA 42 -2.169 1.783 -8.309 227 H PHE 43 H PHE 43 -0.867 0.346 -5.070 228 HA PHE 43 HA PHE 43 -0.733 2.971 -3.933 229 1HB PHE 43 1HB PHE 43 -1.731 1.065 -2.767 230 2HB PHE 43 2HB PHE 43 -0.210 0.192 -2.786 231 HD1 PHE 43 HD1 PHE 43 1.694 0.890 -1.450 232 HD2 PHE 43 HD2 PHE 43 -2.211 2.539 -0.813 233 HE1 PHE 43 HE1 PHE 43 2.424 1.741 0.731 234 HE2 PHE 43 HE2 PHE 43 -1.515 3.274 1.433 235 HZ PHE 43 HZ PHE 43 0.802 2.927 2.214 236 H LEU 44 H LEU 44 1.784 0.382 -3.884 237 HA LEU 44 HA LEU 44 3.740 2.150 -2.950 238 1HB LEU 44 1HB LEU 44 3.983 -0.466 -4.469 239 2HB LEU 44 2HB LEU 44 5.323 0.336 -3.637 240 HG LEU 44 HG LEU 44 2.806 -0.736 -2.303 241 1HD1 LEU 44 1HD1 LEU 44 5.600 -1.859 -2.689 242 2HD1 LEU 44 2HD1 LEU 44 4.416 -2.490 -1.499 243 3HD1 LEU 44 3HD1 LEU 44 4.051 -2.500 -3.234 244 1HD2 LEU 44 1HD2 LEU 44 3.892 1.237 -1.119 245 2HD2 LEU 44 2HD2 LEU 44 3.788 -0.252 -0.226 246 3HD2 LEU 44 3HD2 LEU 44 5.338 0.253 -0.966 247 H SER 45 H SER 45 2.900 1.460 -6.330 248 HA SER 45 HA SER 45 4.980 2.733 -7.692 249 1HB SER 45 1HB SER 45 2.042 2.168 -8.043 250 2HB SER 45 2HB SER 45 2.749 3.266 -9.155 251 HG SER 45 HG SER 45 2.870 1.260 -10.000 252 H GLN 46 H GLN 46 2.157 4.105 -5.912 253 HA GLN 46 HA GLN 46 2.932 6.853 -6.578 254 1HB GLN 46 1HB GLN 46 0.756 5.642 -4.790 255 2HB GLN 46 2HB GLN 46 1.041 7.360 -5.029 256 1HG GLN 46 1HG GLN 46 0.762 7.016 -7.492 257 2HG GLN 46 2HG GLN 46 0.374 5.327 -7.215 258 1HE2 GLN 46 2HE2 GLN 46 -1.623 5.934 -8.412 259 2HE2 GLN 46 1HE2 GLN 46 -2.906 6.793 -7.543 260 H CYS 47 H CYS 47 3.095 4.745 -3.707 261 HA CYS 47 HA CYS 47 4.013 6.951 -2.062 262 1HB CYS 47 1HB CYS 47 4.367 4.134 -1.055 263 2HB CYS 47 2HB CYS 47 3.936 5.622 -0.231 264 H TYR 48 H TYR 48 5.725 4.472 -3.835 265 HA TYR 48 HA TYR 48 8.359 5.175 -2.613 266 1HB TYR 48 1HB TYR 48 7.188 2.569 -3.442 267 2HB TYR 48 2HB TYR 48 8.904 2.845 -3.581 268 HD1 TYR 48 HD1 TYR 48 6.154 2.339 -1.287 269 HD2 TYR 48 HD2 TYR 48 10.325 3.358 -1.584 270 HE1 TYR 48 HE1 TYR 48 6.550 1.292 0.888 271 HE2 TYR 48 HE2 TYR 48 10.712 2.498 0.701 272 HH TYR 48 HH TYR 48 8.361 0.474 2.347 273 H GLY 49 H GLY 49 6.482 5.062 -5.591 274 1HA GLY 49 1HA GLY 49 8.802 5.781 -7.235 275 2HA GLY 49 2HA GLY 49 7.125 5.678 -7.746 276 H GLY 50 H GLY 50 7.456 2.843 -6.187 277 1HA GLY 50 1HA GLY 50 7.831 1.266 -8.608 278 2HA GLY 50 2HA GLY 50 7.491 0.692 -6.965 279 H CYS 51 H CYS 51 9.048 -0.197 -5.863 280 HA CYS 51 HA CYS 51 11.478 0.411 -5.241 281 1HB CYS 51 1HB CYS 51 12.119 -1.949 -4.966 282 2HB CYS 51 2HB CYS 51 10.558 -1.536 -4.272 No H/Q in entry = 282 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -8.942 -8.083 -1.591 2 H2 GLY 1 H2 GLY 1 -7.879 -7.184 -2.463 3 H3 GLY 1 H3 GLY 1 -7.571 -8.784 -2.210 4 1HA GLY 1 1HA GLY 1 -6.212 -7.339 -0.832 5 2HA GLY 1 2HA GLY 1 -7.239 -8.462 0.088 6 H GLU 2 H GLU 2 -6.471 -6.443 1.543 7 HA GLU 2 HA GLU 2 -8.857 -4.812 1.938 8 1HB GLU 2 1HB GLU 2 -7.718 -4.002 3.966 9 2HB GLU 2 2HB GLU 2 -7.997 -5.756 3.927 10 1HG GLU 2 1HG GLU 2 -5.716 -6.077 3.118 11 2HG GLU 2 2HG GLU 2 -5.413 -4.361 3.209 12 H CYS 3 H CYS 3 -5.604 -4.507 0.602 13 HA CYS 3 HA CYS 3 -5.383 -1.702 1.002 14 1HB CYS 3 1HB CYS 3 -3.439 -3.112 0.608 15 2HB CYS 3 2HB CYS 3 -3.956 -3.396 -1.065 16 H GLU 4 H GLU 4 -6.184 -3.490 -2.053 17 HA GLU 4 HA GLU 4 -6.763 -1.146 -3.486 18 1HB GLU 4 1HB GLU 4 -7.970 -3.906 -3.916 19 2HB GLU 4 2HB GLU 4 -8.045 -2.544 -5.062 20 1HG GLU 4 1HG GLU 4 -5.499 -2.443 -4.957 21 2HG GLU 4 2HG GLU 4 -5.565 -3.970 -4.065 22 H GLN 5 H GLN 5 -8.830 -2.880 -1.190 23 HA GLN 5 HA GLN 5 -11.230 -1.393 -1.848 24 1HB GLN 5 1HB GLN 5 -10.914 -3.705 -0.557 25 2HB GLN 5 2HB GLN 5 -10.553 -2.710 0.837 26 1HG GLN 5 1HG GLN 5 -12.893 -3.403 0.857 27 2HG GLN 5 2HG GLN 5 -12.812 -1.651 0.694 28 1HE2 GLN 5 2HE2 GLN 5 -13.890 -0.722 -1.119 29 2HE2 GLN 5 1HE2 GLN 5 -14.393 -1.660 -2.523 30 H CYS 6 H CYS 6 -8.402 -0.521 -0.075 31 HA CYS 6 HA CYS 6 -9.745 1.757 1.281 32 1HB CYS 6 1HB CYS 6 -7.770 0.447 2.207 33 2HB CYS 6 2HB CYS 6 -6.778 1.149 0.943 34 H PHE 7 H PHE 7 -7.440 1.049 -1.366 35 HA PHE 7 HA PHE 7 -7.161 3.661 -2.355 36 1HB PHE 7 1HB PHE 7 -6.344 1.018 -3.050 37 2HB PHE 7 2HB PHE 7 -7.120 1.672 -4.473 38 HD1 PHE 7 HD1 PHE 7 -5.854 3.166 -5.896 39 HD2 PHE 7 HD2 PHE 7 -4.617 2.544 -1.794 40 HE1 PHE 7 HE1 PHE 7 -3.748 4.344 -6.344 41 HE2 PHE 7 HE2 PHE 7 -2.534 3.772 -2.268 42 HZ PHE 7 HZ PHE 7 -2.076 4.653 -4.529 43 H SER 8 H SER 8 -9.722 1.282 -3.062 44 HA SER 8 HA SER 8 -10.953 2.689 -5.173 45 1HB SER 8 1HB SER 8 -11.337 0.262 -3.848 46 2HB SER 8 2HB SER 8 -12.787 1.169 -3.400 47 HG SER 8 HG SER 8 -11.739 0.791 -6.025 48 H ASP 9 H ASP 9 -10.983 3.323 -1.725 49 HA ASP 9 HA ASP 9 -13.151 5.351 -2.067 50 1HB ASP 9 1HB ASP 9 -12.965 3.624 -0.154 51 2HB ASP 9 2HB ASP 9 -11.761 4.708 0.542 52 H GLY 10 H GLY 10 -10.636 5.654 -3.483 53 1HA GLY 10 1HA GLY 10 -10.280 8.448 -2.890 54 2HA GLY 10 2HA GLY 10 -9.453 7.493 -4.129 55 H GLY 11 H GLY 11 -8.527 5.552 -1.947 56 1HA GLY 11 1HA GLY 11 -6.638 5.237 -0.687 57 2HA GLY 11 2HA GLY 11 -6.750 6.944 -0.203 58 H ASP 12 H ASP 12 -4.479 7.252 -0.384 59 HA ASP 12 HA ASP 12 -3.339 7.033 -3.165 60 1HB ASP 12 1HB ASP 12 -3.616 9.359 -1.465 61 2HB ASP 12 2HB ASP 12 -1.943 8.988 -1.438 62 H CYS 13 H CYS 13 -2.350 7.448 0.141 63 HA CYS 13 HA CYS 13 -0.899 4.992 0.272 64 1HB CYS 13 1HB CYS 13 0.874 6.198 -0.865 65 2HB CYS 13 2HB CYS 13 0.799 7.522 0.309 66 H THR 14 H THR 14 -0.804 8.318 1.651 67 HA THR 14 HA THR 14 -0.306 7.579 4.244 68 HB THR 14 HB THR 14 -1.789 10.057 3.260 69 HG1 THR 14 HG1 THR 14 0.498 10.785 3.177 70 1HG2 THR 14 1HG2 THR 14 0.054 9.580 5.648 71 2HG2 THR 14 2HG2 THR 14 -0.599 11.160 5.143 72 3HG2 THR 14 3HG2 THR 14 -1.686 9.895 5.714 73 H THR 15 H THR 15 -3.587 8.117 2.741 74 HA THR 15 HA THR 15 -4.809 7.658 5.353 75 HB THR 15 HB THR 15 -5.301 9.300 3.378 76 HG1 THR 15 HG1 THR 15 -7.734 8.710 4.019 77 1HG2 THR 15 1HG2 THR 15 -6.745 6.962 2.233 78 2HG2 THR 15 2HG2 THR 15 -7.219 8.631 1.959 79 3HG2 THR 15 3HG2 THR 15 -5.619 8.122 1.494 80 H CYS 16 H CYS 16 -3.272 5.426 4.058 81 HA CYS 16 HA CYS 16 -5.160 3.182 4.559 82 1HB CYS 16 1HB CYS 16 -3.542 3.592 2.013 83 2HB CYS 16 2HB CYS 16 -4.319 2.087 2.451 84 H PHE 17 H PHE 17 -2.140 4.690 5.089 85 HA PHE 17 HA PHE 17 -0.713 2.150 5.438 86 1HB PHE 17 1HB PHE 17 0.508 4.151 4.635 87 2HB PHE 17 2HB PHE 17 0.081 5.011 6.113 88 HD1 PHE 17 HD1 PHE 17 1.990 5.180 7.561 89 HD2 PHE 17 HD2 PHE 17 1.360 1.585 5.328 90 HE1 PHE 17 HE1 PHE 17 3.829 4.086 8.789 91 HE2 PHE 17 HE2 PHE 17 3.145 0.431 6.618 92 HZ PHE 17 HZ PHE 17 4.454 1.682 8.223 93 H ASN 18 H ASN 18 -2.457 4.568 7.341 94 HA ASN 18 HA ASN 18 -3.018 4.770 9.496 95 1HB ASN 18 1HB ASN 18 -4.365 2.761 8.520 96 2HB ASN 18 2HB ASN 18 -3.232 1.834 9.539 97 1HD2 ASN 18 2HD2 ASN 18 -6.260 2.086 9.796 98 2HD2 ASN 18 1HD2 ASN 18 -6.526 2.867 11.336 99 H ASN 19 H ASN 19 -0.497 4.970 9.328 100 HA ASN 19 HA ASN 19 1.483 4.350 9.664 101 1HB ASN 19 1HB ASN 19 0.822 6.113 11.337 102 2HB ASN 19 2HB ASN 19 0.856 4.847 12.568 103 1HD2 ASN 19 2HD2 ASN 19 2.846 4.379 13.461 104 2HD2 ASN 19 1HD2 ASN 19 4.405 4.825 12.793 105 H GLY 20 H GLY 20 0.792 1.997 9.056 106 1HA GLY 20 1HA GLY 20 2.617 0.383 10.664 107 2HA GLY 20 2HA GLY 20 2.071 0.083 9.037 108 H THR 21 H THR 21 -0.750 0.785 10.481 109 HA THR 21 HA THR 21 -1.480 -2.028 11.055 110 HB THR 21 HB THR 21 -2.895 -0.894 12.971 111 HG1 THR 21 HG1 THR 21 -1.618 1.253 12.260 112 1HG2 THR 21 1HG2 THR 21 0.080 -1.375 13.242 113 2HG2 THR 21 2HG2 THR 21 -1.105 -1.348 14.580 114 3HG2 THR 21 3HG2 THR 21 -1.197 -2.604 13.339 115 H GLY 22 H GLY 22 -1.865 -1.070 8.676 116 1HA GLY 22 1HA GLY 22 -3.510 0.678 7.682 117 2HA GLY 22 2HA GLY 22 -4.725 -0.395 8.427 118 HA PRO 23 HA PRO 23 -4.949 -2.927 5.180 119 1HB PRO 23 1HB PRO 23 -6.026 -1.686 2.982 120 2HB PRO 23 2HB PRO 23 -6.892 -1.918 4.522 121 1HG PRO 23 1HG PRO 23 -5.383 0.525 3.553 122 2HG PRO 23 2HG PRO 23 -7.020 0.450 4.279 123 1HD PRO 23 1HD PRO 23 -4.875 1.090 5.793 124 2HD PRO 23 2HD PRO 23 -6.167 0.096 6.423 125 H CYS 24 H CYS 24 -3.075 -0.187 4.006 126 HA CYS 24 HA CYS 24 -1.287 -2.193 2.692 127 1HB CYS 24 1HB CYS 24 -2.231 0.361 1.541 128 2HB CYS 24 2HB CYS 24 -0.486 0.211 1.653 129 H ALA 25 H ALA 25 -1.006 -2.339 5.122 130 HA ALA 25 HA ALA 25 1.043 -0.333 5.966 131 1HB ALA 25 1HB ALA 25 -0.389 -2.490 7.524 132 2HB ALA 25 2HB ALA 25 -0.423 -0.703 7.729 133 3HB ALA 25 3HB ALA 25 1.057 -1.630 8.067 134 H ASN 26 H ASN 26 0.475 -3.856 5.767 135 HA ASN 26 HA ASN 26 3.126 -4.525 6.247 136 1HB ASN 26 1HB ASN 26 2.625 -6.733 5.521 137 2HB ASN 26 2HB ASN 26 1.133 -6.126 6.227 138 1HD2 ASN 26 2HD2 ASN 26 -0.657 -5.402 4.644 139 2HD2 ASN 26 1HD2 ASN 26 -0.632 -6.035 3.034 140 H CYS 27 H CYS 27 1.629 -3.551 3.239 141 HA CYS 27 HA CYS 27 3.740 -4.318 1.463 142 1HB CYS 27 1HB CYS 27 1.592 -2.257 0.948 143 2HB CYS 27 2HB CYS 27 2.689 -3.018 -0.171 144 H LEU 28 H LEU 28 3.945 -1.800 3.909 145 HA LEU 28 HA LEU 28 6.021 -0.430 2.357 146 1HB LEU 28 1HB LEU 28 4.683 -0.014 5.072 147 2HB LEU 28 2HB LEU 28 5.950 1.006 4.416 148 HG LEU 28 HG LEU 28 3.724 1.876 4.331 149 1HD1 LEU 28 1HD1 LEU 28 5.586 2.558 2.690 150 2HD1 LEU 28 2HD1 LEU 28 4.649 1.623 1.497 151 3HD1 LEU 28 3HD1 LEU 28 3.933 3.039 2.280 152 1HD2 LEU 28 1HD2 LEU 28 2.541 -0.171 3.737 153 2HD2 LEU 28 2HD2 LEU 28 2.060 1.264 2.864 154 3HD2 LEU 28 3HD2 LEU 28 3.097 0.077 2.028 155 H ALA 29 H ALA 29 5.538 -1.943 5.602 156 HA ALA 29 HA ALA 29 8.072 -1.040 6.429 157 1HB ALA 29 1HB ALA 29 7.569 -2.174 8.546 158 2HB ALA 29 2HB ALA 29 6.266 -3.083 7.770 159 3HB ALA 29 3HB ALA 29 6.142 -1.321 7.937 160 H GLY 30 H GLY 30 7.367 -3.875 4.695 161 1HA GLY 30 1HA GLY 30 9.318 -5.770 5.221 162 2HA GLY 30 2HA GLY 30 10.165 -4.407 4.417 163 H TYR 31 H TYR 31 9.702 -3.967 2.241 164 HA TYR 31 HA TYR 31 7.430 -5.455 0.961 165 1HB TYR 31 1HB TYR 31 6.695 -3.488 0.038 166 2HB TYR 31 2HB TYR 31 7.077 -2.963 1.679 167 HD1 TYR 31 HD1 TYR 31 6.662 -1.311 -0.753 168 HD2 TYR 31 HD2 TYR 31 10.268 -2.945 0.802 169 HE1 TYR 31 HE1 TYR 31 7.919 0.562 -1.861 170 HE2 TYR 31 HE2 TYR 31 11.573 -1.107 -0.202 171 HH TYR 31 HH TYR 31 11.459 0.439 -1.980 172 HA PRO 32 HA PRO 32 11.344 -5.298 -1.604 173 1HB PRO 32 1HB PRO 32 12.278 -7.908 -1.593 174 2HB PRO 32 2HB PRO 32 12.743 -6.684 -0.389 175 1HG PRO 32 1HG PRO 32 10.672 -8.858 -0.113 176 2HG PRO 32 2HG PRO 32 11.868 -8.261 1.092 177 1HD PRO 32 1HD PRO 32 9.240 -7.480 1.111 178 2HD PRO 32 2HD PRO 32 10.593 -6.467 1.677 179 H ALA 33 H ALA 33 8.921 -7.784 -1.315 180 HA ALA 33 HA ALA 33 8.647 -8.348 -4.188 181 1HB ALA 33 1HB ALA 33 7.256 -10.171 -3.344 182 2HB ALA 33 2HB ALA 33 8.818 -10.178 -2.513 183 3HB ALA 33 3HB ALA 33 7.378 -9.530 -1.684 184 H GLY 34 H GLY 34 7.470 -5.866 -2.242 185 1HA GLY 34 1HA GLY 34 5.406 -4.765 -2.054 186 2HA GLY 34 2HA GLY 34 4.633 -6.286 -2.467 187 H CYS 35 H CYS 35 6.998 -4.768 -4.614 188 HA CYS 35 HA CYS 35 5.272 -3.552 -6.489 189 1HB CYS 35 1HB CYS 35 7.758 -5.056 -7.263 190 2HB CYS 35 2HB CYS 35 7.208 -3.494 -7.868 191 H SER 36 H SER 36 5.729 -6.894 -5.746 192 HA SER 36 HA SER 36 4.595 -7.879 -8.302 193 1HB SER 36 1HB SER 36 6.470 -8.938 -6.214 194 2HB SER 36 2HB SER 36 5.353 -10.103 -6.960 195 HG SER 36 HG SER 36 6.284 -9.845 -8.828 196 H ASN 37 H ASN 37 3.488 -6.699 -5.404 197 HA ASN 37 HA ASN 37 1.232 -8.642 -5.294 198 1HB ASN 37 1HB ASN 37 2.610 -7.376 -3.113 199 2HB ASN 37 2HB ASN 37 1.123 -6.520 -3.281 200 1HD2 ASN 37 2HD2 ASN 37 -0.580 -7.300 -2.101 201 2HD2 ASN 37 1HD2 ASN 37 -0.842 -9.003 -1.804 202 H SER 38 H SER 38 0.262 -7.849 -7.305 203 HA SER 38 HA SER 38 0.005 -5.187 -8.100 204 1HB SER 38 1HB SER 38 -1.755 -7.513 -8.508 205 2HB SER 38 2HB SER 38 -2.076 -5.923 -9.228 206 HG SER 38 HG SER 38 0.167 -7.628 -9.624 207 H ASP 39 H ASP 39 -1.838 -6.942 -5.638 208 HA ASP 39 HA ASP 39 -3.948 -5.204 -5.089 209 1HB ASP 39 1HB ASP 39 -3.225 -7.525 -4.118 210 2HB ASP 39 2HB ASP 39 -2.382 -6.594 -2.907 211 H CYS 40 H CYS 40 -0.548 -4.856 -4.353 212 HA CYS 40 HA CYS 40 -0.946 -2.370 -2.767 213 1HB CYS 40 1HB CYS 40 1.222 -4.526 -2.675 214 2HB CYS 40 2HB CYS 40 1.377 -2.968 -1.876 215 H THR 41 H THR 41 -0.132 -3.364 -5.910 216 HA THR 41 HA THR 41 2.410 -2.064 -6.116 217 HB THR 41 HB THR 41 0.418 -3.235 -8.043 218 HG1 THR 41 HG1 THR 41 1.729 -4.501 -6.489 219 1HG2 THR 41 1HG2 THR 41 1.726 -1.667 -9.375 220 2HG2 THR 41 2HG2 THR 41 3.238 -2.404 -8.763 221 3HG2 THR 41 3HG2 THR 41 2.086 -3.366 -9.740 222 H ALA 42 H ALA 42 -0.955 -0.942 -7.002 223 HA ALA 42 HA ALA 42 0.052 1.449 -8.288 224 1HB ALA 42 1HB ALA 42 -2.246 0.703 -8.686 225 2HB ALA 42 2HB ALA 42 -2.649 0.950 -6.969 226 3HB ALA 42 3HB ALA 42 -2.220 2.339 -7.976 227 H PHE 43 H PHE 43 -1.065 0.619 -5.032 228 HA PHE 43 HA PHE 43 -0.714 3.085 -3.708 229 1HB PHE 43 1HB PHE 43 -1.791 1.125 -2.676 230 2HB PHE 43 2HB PHE 43 -0.255 0.269 -2.705 231 HD1 PHE 43 HD1 PHE 43 1.727 1.216 -1.449 232 HD2 PHE 43 HD2 PHE 43 -2.350 2.259 -0.598 233 HE1 PHE 43 HE1 PHE 43 2.446 2.120 0.702 234 HE2 PHE 43 HE2 PHE 43 -1.618 3.020 1.684 235 HZ PHE 43 HZ PHE 43 0.772 2.985 2.295 236 H LEU 44 H LEU 44 1.785 0.431 -3.945 237 HA LEU 44 HA LEU 44 3.720 2.185 -2.912 238 1HB LEU 44 1HB LEU 44 4.103 -0.376 -4.500 239 2HB LEU 44 2HB LEU 44 5.350 0.450 -3.598 240 HG LEU 44 HG LEU 44 2.809 -0.667 -2.344 241 1HD1 LEU 44 1HD1 LEU 44 5.592 -1.829 -2.611 242 2HD1 LEU 44 2HD1 LEU 44 4.335 -2.477 -1.530 243 3HD1 LEU 44 3HD1 LEU 44 4.086 -2.457 -3.285 244 1HD2 LEU 44 1HD2 LEU 44 3.870 1.262 -1.074 245 2HD2 LEU 44 2HD2 LEU 44 3.649 -0.241 -0.230 246 3HD2 LEU 44 3HD2 LEU 44 5.253 0.206 -0.840 247 H SER 45 H SER 45 2.879 1.557 -6.274 248 HA SER 45 HA SER 45 5.027 2.840 -7.590 249 1HB SER 45 1HB SER 45 2.998 1.616 -8.601 250 2HB SER 45 2HB SER 45 2.135 3.142 -8.436 251 HG SER 45 HG SER 45 3.057 2.977 -10.448 252 H GLN 46 H GLN 46 2.074 4.184 -6.101 253 HA GLN 46 HA GLN 46 2.828 6.922 -6.635 254 1HB GLN 46 1HB GLN 46 0.653 5.648 -4.903 255 2HB GLN 46 2HB GLN 46 0.837 7.405 -5.198 256 1HG GLN 46 1HG GLN 46 0.417 7.247 -7.490 257 2HG GLN 46 2HG GLN 46 0.707 5.517 -7.534 258 1HE2 GLN 46 2HE2 GLN 46 -1.620 7.415 -5.399 259 2HE2 GLN 46 1HE2 GLN 46 -3.006 6.603 -6.048 260 H CYS 47 H CYS 47 2.778 4.941 -3.582 261 HA CYS 47 HA CYS 47 3.780 7.061 -2.036 262 1HB CYS 47 1HB CYS 47 2.710 4.711 -1.365 263 2HB CYS 47 2HB CYS 47 4.411 4.270 -1.093 264 H TYR 48 H TYR 48 5.617 4.438 -3.631 265 HA TYR 48 HA TYR 48 8.180 5.480 -2.545 266 1HB TYR 48 1HB TYR 48 7.371 2.774 -3.427 267 2HB TYR 48 2HB TYR 48 9.043 3.291 -3.288 268 HD1 TYR 48 HD1 TYR 48 6.224 2.116 -1.466 269 HD2 TYR 48 HD2 TYR 48 9.801 4.449 -1.093 270 HE1 TYR 48 HE1 TYR 48 6.521 1.322 0.843 271 HE2 TYR 48 HE2 TYR 48 9.941 3.915 1.307 272 HH TYR 48 HH TYR 48 8.869 2.840 3.060 273 H GLY 49 H GLY 49 6.677 4.190 -5.525 274 1HA GLY 49 1HA GLY 49 9.076 4.883 -7.099 275 2HA GLY 49 2HA GLY 49 7.518 5.543 -7.639 276 H GLY 50 H GLY 50 7.630 2.479 -5.976 277 1HA GLY 50 1HA GLY 50 6.364 1.122 -8.276 278 2HA GLY 50 2HA GLY 50 6.394 0.593 -6.577 279 H CYS 51 H CYS 51 8.747 0.441 -5.802 280 HA CYS 51 HA CYS 51 10.532 -0.907 -5.560 281 1HB CYS 51 1HB CYS 51 10.064 -1.756 -8.415 282 2HB CYS 51 2HB CYS 51 11.655 -1.813 -7.739 No H/Q in entry = 282 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -10.032 -7.145 -1.970 2 H2 GLY 1 H2 GLY 1 -9.157 -6.375 -3.129 3 H3 GLY 1 H3 GLY 1 -9.051 -8.017 -2.981 4 1HA GLY 1 1HA GLY 1 -7.117 -6.895 -2.086 5 2HA GLY 1 2HA GLY 1 -8.012 -7.841 -0.872 6 H GLU 2 H GLU 2 -7.740 -6.692 0.959 7 HA GLU 2 HA GLU 2 -9.235 -4.505 1.612 8 1HB GLU 2 1HB GLU 2 -7.648 -4.233 3.496 9 2HB GLU 2 2HB GLU 2 -8.635 -5.689 3.378 10 1HG GLU 2 1HG GLU 2 -5.915 -5.715 2.151 11 2HG GLU 2 2HG GLU 2 -6.064 -5.690 3.897 12 H CYS 3 H CYS 3 -5.881 -4.423 0.255 13 HA CYS 3 HA CYS 3 -5.510 -1.650 0.650 14 1HB CYS 3 1HB CYS 3 -4.394 -3.823 -1.162 15 2HB CYS 3 2HB CYS 3 -3.915 -2.163 -1.301 16 H GLU 4 H GLU 4 -6.592 -3.646 -2.141 17 HA GLU 4 HA GLU 4 -6.840 -1.596 -4.064 18 1HB GLU 4 1HB GLU 4 -8.481 -4.151 -3.755 19 2HB GLU 4 2HB GLU 4 -8.412 -3.159 -5.200 20 1HG GLU 4 1HG GLU 4 -6.005 -3.678 -5.478 21 2HG GLU 4 2HG GLU 4 -6.013 -4.566 -3.966 22 H GLN 5 H GLN 5 -9.164 -2.865 -1.675 23 HA GLN 5 HA GLN 5 -11.364 -1.269 -2.513 24 1HB GLN 5 1HB GLN 5 -11.171 -3.394 -0.929 25 2HB GLN 5 2HB GLN 5 -11.084 -2.196 0.360 26 1HG GLN 5 1HG GLN 5 -13.273 -2.425 -1.770 27 2HG GLN 5 2HG GLN 5 -13.400 -3.063 -0.150 28 1HE2 GLN 5 2HE2 GLN 5 -13.836 -0.259 -2.106 29 2HE2 GLN 5 1HE2 GLN 5 -14.231 0.849 -0.790 30 H CYS 6 H CYS 6 -8.875 -0.745 0.056 31 HA CYS 6 HA CYS 6 -9.797 1.729 1.004 32 1HB CYS 6 1HB CYS 6 -7.772 0.177 1.710 33 2HB CYS 6 2HB CYS 6 -6.845 1.211 0.645 34 H PHE 7 H PHE 7 -7.856 1.010 -1.892 35 HA PHE 7 HA PHE 7 -7.314 3.722 -2.635 36 1HB PHE 7 1HB PHE 7 -6.780 1.078 -3.664 37 2HB PHE 7 2HB PHE 7 -7.513 2.008 -4.955 38 HD1 PHE 7 HD1 PHE 7 -4.695 1.839 -2.571 39 HD2 PHE 7 HD2 PHE 7 -6.430 4.048 -5.846 40 HE1 PHE 7 HE1 PHE 7 -2.563 3.054 -2.920 41 HE2 PHE 7 HE2 PHE 7 -4.343 5.264 -6.154 42 HZ PHE 7 HZ PHE 7 -2.348 4.769 -4.680 43 H SER 8 H SER 8 -9.956 1.475 -3.533 44 HA SER 8 HA SER 8 -11.370 3.166 -5.319 45 1HB SER 8 1HB SER 8 -11.809 0.668 -3.981 46 2HB SER 8 2HB SER 8 -13.176 1.704 -3.548 47 HG SER 8 HG SER 8 -13.923 1.218 -5.445 48 H ASP 9 H ASP 9 -11.370 2.928 -1.760 49 HA ASP 9 HA ASP 9 -13.341 5.009 -1.390 50 1HB ASP 9 1HB ASP 9 -12.716 2.847 -0.008 51 2HB ASP 9 2HB ASP 9 -11.538 3.887 0.775 52 H GLY 10 H GLY 10 -11.083 5.934 -2.885 53 1HA GLY 10 1HA GLY 10 -10.699 8.455 -1.546 54 2HA GLY 10 2HA GLY 10 -10.105 7.981 -3.141 55 H GLY 11 H GLY 11 -8.760 5.568 -1.610 56 1HA GLY 11 1HA GLY 11 -6.791 5.069 -0.593 57 2HA GLY 11 2HA GLY 11 -6.828 6.665 0.166 58 H ASP 12 H ASP 12 -4.585 6.910 -0.136 59 HA ASP 12 HA ASP 12 -3.526 6.831 -2.906 60 1HB ASP 12 1HB ASP 12 -1.871 8.689 -2.137 61 2HB ASP 12 2HB ASP 12 -3.478 9.105 -2.709 62 H CYS 13 H CYS 13 -2.005 7.548 0.217 63 HA CYS 13 HA CYS 13 -0.989 4.821 0.496 64 1HB CYS 13 1HB CYS 13 0.766 5.879 -0.834 65 2HB CYS 13 2HB CYS 13 0.858 7.236 0.291 66 H THR 14 H THR 14 -0.604 8.181 1.669 67 HA THR 14 HA THR 14 -0.277 7.747 4.369 68 HB THR 14 HB THR 14 -1.493 9.949 2.678 69 HG1 THR 14 HG1 THR 14 0.532 10.054 2.359 70 1HG2 THR 14 1HG2 THR 14 -0.848 10.292 5.613 71 2HG2 THR 14 2HG2 THR 14 -1.264 11.552 4.444 72 3HG2 THR 14 3HG2 THR 14 -2.466 10.355 4.859 73 H THR 15 H THR 15 -3.445 8.280 2.667 74 HA THR 15 HA THR 15 -4.723 7.868 5.253 75 HB THR 15 HB THR 15 -5.070 9.544 3.280 76 HG1 THR 15 HG1 THR 15 -7.483 9.348 4.087 77 1HG2 THR 15 1HG2 THR 15 -5.675 7.945 1.549 78 2HG2 THR 15 2HG2 THR 15 -7.183 7.572 2.426 79 3HG2 THR 15 3HG2 THR 15 -6.881 9.207 1.815 80 H CYS 16 H CYS 16 -3.357 5.520 4.104 81 HA CYS 16 HA CYS 16 -5.375 3.428 4.629 82 1HB CYS 16 1HB CYS 16 -3.865 3.786 2.024 83 2HB CYS 16 2HB CYS 16 -4.530 2.235 2.517 84 H PHE 17 H PHE 17 -3.033 4.663 5.979 85 HA PHE 17 HA PHE 17 -1.377 2.170 6.285 86 1HB PHE 17 1HB PHE 17 -0.154 3.970 5.033 87 2HB PHE 17 2HB PHE 17 -0.340 5.041 6.411 88 HD1 PHE 17 HD1 PHE 17 1.330 4.961 8.236 89 HD2 PHE 17 HD2 PHE 17 1.072 1.722 5.373 90 HE1 PHE 17 HE1 PHE 17 3.336 3.879 9.207 91 HE2 PHE 17 HE2 PHE 17 2.994 0.588 6.494 92 HZ PHE 17 HZ PHE 17 4.069 1.657 8.427 93 H ASN 18 H ASN 18 -3.044 4.926 7.980 94 HA ASN 18 HA ASN 18 -3.431 5.241 10.184 95 1HB ASN 18 1HB ASN 18 -4.470 2.925 9.514 96 2HB ASN 18 2HB ASN 18 -3.284 2.268 10.632 97 1HD2 ASN 18 2HD2 ASN 18 -3.495 2.915 12.944 98 2HD2 ASN 18 1HD2 ASN 18 -5.041 3.455 13.542 99 H ASN 19 H ASN 19 -0.426 4.729 9.457 100 HA ASN 19 HA ASN 19 1.542 4.470 10.338 101 1HB ASN 19 1HB ASN 19 0.414 6.228 12.028 102 2HB ASN 19 2HB ASN 19 1.151 5.066 13.147 103 1HD2 ASN 19 2HD2 ASN 19 3.340 5.690 13.611 104 2HD2 ASN 19 1HD2 ASN 19 4.325 6.588 12.457 105 H GLY 20 H GLY 20 1.014 2.377 9.633 106 1HA GLY 20 1HA GLY 20 2.598 0.709 11.312 107 2HA GLY 20 2HA GLY 20 2.202 0.522 9.636 108 H THR 21 H THR 21 -0.815 0.731 10.493 109 HA THR 21 HA THR 21 -1.270 -2.116 11.052 110 HB THR 21 HB THR 21 -1.342 0.085 12.898 111 HG1 THR 21 HG1 THR 21 -0.589 -1.405 13.976 112 1HG2 THR 21 1HG2 THR 21 -3.720 0.205 12.563 113 2HG2 THR 21 2HG2 THR 21 -3.877 -1.521 13.001 114 3HG2 THR 21 3HG2 THR 21 -3.280 -0.348 14.187 115 H GLY 22 H GLY 22 -1.681 0.034 8.803 116 1HA GLY 22 1HA GLY 22 -3.388 0.807 7.404 117 2HA GLY 22 2HA GLY 22 -4.605 0.024 8.422 118 HA PRO 23 HA PRO 23 -4.857 -3.216 5.449 119 1HB PRO 23 1HB PRO 23 -5.518 -2.197 2.949 120 2HB PRO 23 2HB PRO 23 -6.648 -2.303 4.340 121 1HG PRO 23 1HG PRO 23 -5.110 0.092 3.358 122 2HG PRO 23 2HG PRO 23 -6.790 0.001 3.973 123 1HD PRO 23 1HD PRO 23 -4.667 0.852 5.501 124 2HD PRO 23 2HD PRO 23 -6.088 0.098 6.182 125 H CYS 24 H CYS 24 -3.042 -0.536 3.857 126 HA CYS 24 HA CYS 24 -1.162 -2.522 2.652 127 1HB CYS 24 1HB CYS 24 -2.295 0.081 1.725 128 2HB CYS 24 2HB CYS 24 -0.557 -0.116 1.520 129 H ALA 25 H ALA 25 -0.297 -2.841 4.707 130 HA ALA 25 HA ALA 25 1.170 -0.508 5.863 131 1HB ALA 25 1HB ALA 25 0.026 -2.997 7.204 132 2HB ALA 25 2HB ALA 25 0.977 -1.679 7.962 133 3HB ALA 25 3HB ALA 25 -0.618 -1.325 7.238 134 H ASN 26 H ASN 26 1.303 -4.064 5.867 135 HA ASN 26 HA ASN 26 4.069 -4.281 6.259 136 1HB ASN 26 1HB ASN 26 3.650 -6.609 5.171 137 2HB ASN 26 2HB ASN 26 2.606 -6.216 6.534 138 1HD2 ASN 26 2HD2 ASN 26 2.671 -6.901 3.066 139 2HD2 ASN 26 1HD2 ASN 26 0.947 -6.724 2.821 140 H CYS 27 H CYS 27 2.193 -3.661 3.324 141 HA CYS 27 HA CYS 27 4.286 -3.977 1.436 142 1HB CYS 27 1HB CYS 27 1.883 -2.170 1.074 143 2HB CYS 27 2HB CYS 27 2.997 -2.786 -0.095 144 H LEU 28 H LEU 28 4.289 -1.555 4.017 145 HA LEU 28 HA LEU 28 6.059 0.122 2.446 146 1HB LEU 28 1HB LEU 28 4.758 0.147 5.217 147 2HB LEU 28 2HB LEU 28 5.997 1.318 4.740 148 HG LEU 28 HG LEU 28 3.728 2.081 4.484 149 1HD1 LEU 28 1HD1 LEU 28 5.699 2.811 2.938 150 2HD1 LEU 28 2HD1 LEU 28 4.872 1.838 1.710 151 3HD1 LEU 28 3HD1 LEU 28 4.051 3.253 2.407 152 1HD2 LEU 28 1HD2 LEU 28 2.678 -0.041 3.713 153 2HD2 LEU 28 2HD2 LEU 28 2.175 1.426 2.899 154 3HD2 LEU 28 3HD2 LEU 28 3.329 0.347 2.070 155 H ALA 29 H ALA 29 6.235 -1.686 5.536 156 HA ALA 29 HA ALA 29 9.067 -1.039 5.777 157 1HB ALA 29 1HB ALA 29 8.901 -2.386 7.832 158 2HB ALA 29 2HB ALA 29 7.709 -1.085 7.764 159 3HB ALA 29 3HB ALA 29 7.198 -2.758 7.449 160 H GLY 30 H GLY 30 7.598 -4.288 6.101 161 1HA GLY 30 1HA GLY 30 8.482 -6.324 5.443 162 2HA GLY 30 2HA GLY 30 9.837 -5.499 4.697 163 H TYR 31 H TYR 31 9.110 -4.007 2.725 164 HA TYR 31 HA TYR 31 7.059 -5.460 1.075 165 1HB TYR 31 1HB TYR 31 6.493 -3.453 0.205 166 2HB TYR 31 2HB TYR 31 6.905 -2.898 1.836 167 HD1 TYR 31 HD1 TYR 31 10.003 -3.064 1.288 168 HD2 TYR 31 HD2 TYR 31 6.718 -1.344 -0.819 169 HE1 TYR 31 HE1 TYR 31 11.470 -1.259 0.489 170 HE2 TYR 31 HE2 TYR 31 8.184 0.393 -1.869 171 HH TYR 31 HH TYR 31 10.310 1.454 -1.506 172 HA PRO 32 HA PRO 32 11.143 -5.424 -1.085 173 1HB PRO 32 1HB PRO 32 12.250 -7.917 -0.864 174 2HB PRO 32 2HB PRO 32 12.415 -6.666 0.408 175 1HG PRO 32 1HG PRO 32 10.457 -8.978 0.290 176 2HG PRO 32 2HG PRO 32 11.447 -8.407 1.681 177 1HD PRO 32 1HD PRO 32 8.800 -7.651 1.360 178 2HD PRO 32 2HD PRO 32 10.044 -6.632 2.122 179 H ALA 33 H ALA 33 8.363 -7.320 -1.208 180 HA ALA 33 HA ALA 33 8.669 -8.099 -4.067 181 1HB ALA 33 1HB ALA 33 7.109 -9.923 -3.546 182 2HB ALA 33 2HB ALA 33 8.516 -10.036 -2.473 183 3HB ALA 33 3HB ALA 33 6.977 -9.346 -1.873 184 H GLY 34 H GLY 34 7.332 -5.742 -2.183 185 1HA GLY 34 1HA GLY 34 5.418 -4.488 -2.135 186 2HA GLY 34 2HA GLY 34 4.508 -5.955 -2.511 187 H CYS 35 H CYS 35 7.068 -4.628 -4.644 188 HA CYS 35 HA CYS 35 5.360 -3.216 -6.461 189 1HB CYS 35 1HB CYS 35 7.960 -4.667 -7.060 190 2HB CYS 35 2HB CYS 35 7.288 -3.307 -7.963 191 H SER 36 H SER 36 5.956 -6.643 -6.017 192 HA SER 36 HA SER 36 4.919 -7.358 -8.685 193 1HB SER 36 1HB SER 36 6.957 -8.402 -7.621 194 2HB SER 36 2HB SER 36 5.904 -9.106 -6.382 195 HG SER 36 HG SER 36 6.471 -10.399 -8.305 196 H ASN 37 H ASN 37 3.950 -7.024 -5.324 197 HA ASN 37 HA ASN 37 1.697 -8.897 -5.507 198 1HB ASN 37 1HB ASN 37 3.042 -7.418 -3.343 199 2HB ASN 37 2HB ASN 37 1.333 -7.187 -3.246 200 1HD2 ASN 37 2HD2 ASN 37 0.065 -9.273 -3.849 201 2HD2 ASN 37 1HD2 ASN 37 0.432 -10.630 -2.829 202 H SER 38 H SER 38 0.386 -8.154 -7.163 203 HA SER 38 HA SER 38 -0.223 -5.692 -8.099 204 1HB SER 38 1HB SER 38 -1.756 -8.205 -7.865 205 2HB SER 38 2HB SER 38 -2.420 -6.825 -8.749 206 HG SER 38 HG SER 38 -0.845 -8.519 -9.841 207 H ASP 39 H ASP 39 -1.743 -7.185 -5.257 208 HA ASP 39 HA ASP 39 -3.846 -5.356 -4.707 209 1HB ASP 39 1HB ASP 39 -3.632 -7.581 -3.749 210 2HB ASP 39 2HB ASP 39 -2.118 -7.144 -2.950 211 H CYS 40 H CYS 40 -0.382 -5.076 -4.180 212 HA CYS 40 HA CYS 40 -0.611 -2.514 -2.689 213 1HB CYS 40 1HB CYS 40 1.486 -4.736 -2.604 214 2HB CYS 40 2HB CYS 40 1.778 -3.127 -1.959 215 H THR 41 H THR 41 0.559 -4.057 -5.650 216 HA THR 41 HA THR 41 2.698 -2.627 -6.299 217 HB THR 41 HB THR 41 0.393 -3.677 -7.913 218 HG1 THR 41 HG1 THR 41 2.590 -4.984 -8.343 219 1HG2 THR 41 1HG2 THR 41 1.454 -2.101 -9.442 220 2HG2 THR 41 2HG2 THR 41 3.024 -2.901 -9.169 221 3HG2 THR 41 3HG2 THR 41 1.649 -3.808 -9.894 222 H ALA 42 H ALA 42 -0.629 -1.493 -7.287 223 HA ALA 42 HA ALA 42 0.434 0.938 -8.389 224 1HB ALA 42 1HB ALA 42 -1.680 0.244 -9.211 225 2HB ALA 42 2HB ALA 42 -1.995 1.718 -8.267 226 3HB ALA 42 3HB ALA 42 -2.362 0.119 -7.583 227 H PHE 43 H PHE 43 -0.812 0.158 -5.145 228 HA PHE 43 HA PHE 43 -0.778 2.763 -4.013 229 1HB PHE 43 1HB PHE 43 -1.701 0.766 -2.868 230 2HB PHE 43 2HB PHE 43 -0.102 0.052 -2.809 231 HD1 PHE 43 HD1 PHE 43 -2.405 2.014 -0.922 232 HD2 PHE 43 HD2 PHE 43 1.744 1.145 -1.523 233 HE1 PHE 43 HE1 PHE 43 -1.906 2.740 1.405 234 HE2 PHE 43 HE2 PHE 43 2.277 2.004 0.712 235 HZ PHE 43 HZ PHE 43 0.462 2.734 2.214 236 H LEU 44 H LEU 44 1.899 0.308 -3.936 237 HA LEU 44 HA LEU 44 3.728 2.243 -3.054 238 1HB LEU 44 1HB LEU 44 4.326 -0.349 -4.515 239 2HB LEU 44 2HB LEU 44 5.435 0.581 -3.555 240 HG LEU 44 HG LEU 44 2.878 -0.677 -2.443 241 1HD1 LEU 44 1HD1 LEU 44 5.685 -1.727 -2.694 242 2HD1 LEU 44 2HD1 LEU 44 4.563 -2.321 -1.451 243 3HD1 LEU 44 3HD1 LEU 44 4.143 -2.451 -3.169 244 1HD2 LEU 44 1HD2 LEU 44 3.905 1.368 -1.181 245 2HD2 LEU 44 2HD2 LEU 44 3.528 -0.086 -0.316 246 3HD2 LEU 44 3HD2 LEU 44 5.210 0.248 -0.789 247 H SER 45 H SER 45 2.927 1.342 -6.322 248 HA SER 45 HA SER 45 4.930 2.650 -7.799 249 1HB SER 45 1HB SER 45 2.862 1.257 -8.518 250 2HB SER 45 2HB SER 45 2.016 2.799 -8.587 251 HG SER 45 HG SER 45 3.433 3.448 -10.190 252 H GLN 46 H GLN 46 2.043 4.024 -6.174 253 HA GLN 46 HA GLN 46 2.863 6.784 -6.669 254 1HB GLN 46 1HB GLN 46 0.739 5.591 -4.836 255 2HB GLN 46 2HB GLN 46 1.038 7.311 -5.050 256 1HG GLN 46 1HG GLN 46 0.851 6.762 -7.629 257 2HG GLN 46 2HG GLN 46 0.032 5.307 -7.089 258 1HE2 GLN 46 2HE2 GLN 46 -2.201 5.522 -6.833 259 2HE2 GLN 46 1HE2 GLN 46 -3.045 7.049 -6.692 260 H CYS 47 H CYS 47 2.700 4.899 -3.597 261 HA CYS 47 HA CYS 47 3.976 6.889 -2.144 262 1HB CYS 47 1HB CYS 47 2.589 4.717 -1.485 263 2HB CYS 47 2HB CYS 47 4.196 4.045 -1.176 264 H TYR 48 H TYR 48 5.651 4.627 -4.097 265 HA TYR 48 HA TYR 48 8.279 5.265 -2.801 266 1HB TYR 48 1HB TYR 48 7.232 2.620 -3.627 267 2HB TYR 48 2HB TYR 48 8.947 2.982 -3.660 268 HD1 TYR 48 HD1 TYR 48 6.258 2.009 -1.589 269 HD2 TYR 48 HD2 TYR 48 9.952 4.193 -1.507 270 HE1 TYR 48 HE1 TYR 48 6.589 1.394 0.783 271 HE2 TYR 48 HE2 TYR 48 10.165 3.815 0.894 272 HH TYR 48 HH TYR 48 9.266 2.816 2.739 273 H GLY 49 H GLY 49 6.556 4.232 -5.765 274 1HA GLY 49 1HA GLY 49 8.932 5.020 -7.398 275 2HA GLY 49 2HA GLY 49 7.267 5.242 -7.973 276 H GLY 50 H GLY 50 7.015 2.515 -6.164 277 1HA GLY 50 1HA GLY 50 6.572 0.783 -8.321 278 2HA GLY 50 2HA GLY 50 6.764 0.317 -6.613 279 H CYS 51 H CYS 51 9.136 0.455 -5.819 280 HA CYS 51 HA CYS 51 11.325 -0.145 -5.971 281 1HB CYS 51 1HB CYS 51 10.413 -1.995 -8.203 282 2HB CYS 51 2HB CYS 51 11.947 -2.066 -7.379 No H/Q in entry = 282 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -7.100 -6.084 -3.335 2 H2 GLY 1 H2 GLY 1 -7.604 -7.640 -3.576 3 H3 GLY 1 H3 GLY 1 -8.698 -6.442 -3.282 4 1HA GLY 1 1HA GLY 1 -6.675 -7.363 -1.394 5 2HA GLY 1 2HA GLY 1 -8.398 -7.765 -1.305 6 H GLU 2 H GLU 2 -6.993 -6.527 0.744 7 HA GLU 2 HA GLU 2 -8.670 -4.478 1.462 8 1HB GLU 2 1HB GLU 2 -7.186 -4.124 3.387 9 2HB GLU 2 2HB GLU 2 -7.523 -5.868 3.071 10 1HG GLU 2 1HG GLU 2 -5.322 -5.729 1.634 11 2HG GLU 2 2HG GLU 2 -4.967 -4.276 2.621 12 H CYS 3 H CYS 3 -5.513 -4.238 -0.164 13 HA CYS 3 HA CYS 3 -5.315 -1.390 0.440 14 1HB CYS 3 1HB CYS 3 -3.341 -2.814 0.399 15 2HB CYS 3 2HB CYS 3 -3.629 -3.231 -1.286 16 H GLU 4 H GLU 4 -6.063 -3.465 -2.433 17 HA GLU 4 HA GLU 4 -6.807 -1.507 -4.310 18 1HB GLU 4 1HB GLU 4 -7.833 -4.234 -3.564 19 2HB GLU 4 2HB GLU 4 -8.889 -3.225 -4.504 20 1HG GLU 4 1HG GLU 4 -7.133 -3.029 -6.263 21 2HG GLU 4 2HG GLU 4 -6.138 -4.194 -5.367 22 H GLN 5 H GLN 5 -8.799 -2.860 -1.613 23 HA GLN 5 HA GLN 5 -11.014 -1.247 -2.306 24 1HB GLN 5 1HB GLN 5 -10.869 -3.468 -0.928 25 2HB GLN 5 2HB GLN 5 -10.605 -2.423 0.455 26 1HG GLN 5 1HG GLN 5 -12.967 -2.980 0.294 27 2HG GLN 5 2HG GLN 5 -12.793 -1.263 -0.059 28 1HE2 GLN 5 2HE2 GLN 5 -14.283 -0.704 -1.737 29 2HE2 GLN 5 1HE2 GLN 5 -14.481 -1.713 -3.165 30 H CYS 6 H CYS 6 -8.274 -0.540 -0.186 31 HA CYS 6 HA CYS 6 -9.493 1.741 1.131 32 1HB CYS 6 1HB CYS 6 -7.362 0.560 1.817 33 2HB CYS 6 2HB CYS 6 -6.553 1.384 0.478 34 H PHE 7 H PHE 7 -7.580 1.271 -1.866 35 HA PHE 7 HA PHE 7 -7.734 3.994 -2.729 36 1HB PHE 7 1HB PHE 7 -6.881 1.394 -3.846 37 2HB PHE 7 2HB PHE 7 -7.574 2.466 -5.048 38 HD1 PHE 7 HD1 PHE 7 -6.749 4.836 -5.268 39 HD2 PHE 7 HD2 PHE 7 -4.699 1.939 -2.794 40 HE1 PHE 7 HE1 PHE 7 -4.770 6.300 -5.181 41 HE2 PHE 7 HE2 PHE 7 -2.687 3.395 -2.838 42 HZ PHE 7 HZ PHE 7 -2.698 5.537 -4.003 43 H SER 8 H SER 8 -9.957 1.188 -3.296 44 HA SER 8 HA SER 8 -11.740 2.555 -5.027 45 1HB SER 8 1HB SER 8 -12.448 0.540 -2.852 46 2HB SER 8 2HB SER 8 -13.498 1.052 -4.173 47 HG SER 8 HG SER 8 -12.635 -0.714 -4.969 48 H ASP 9 H ASP 9 -11.423 2.624 -1.441 49 HA ASP 9 HA ASP 9 -13.669 4.496 -1.185 50 1HB ASP 9 1HB ASP 9 -13.008 2.543 0.392 51 2HB ASP 9 2HB ASP 9 -11.720 3.589 0.951 52 H GLY 10 H GLY 10 -11.283 5.311 -2.776 53 1HA GLY 10 1HA GLY 10 -11.373 8.028 -1.832 54 2HA GLY 10 2HA GLY 10 -10.589 7.412 -3.284 55 H GLY 11 H GLY 11 -9.050 5.564 -1.011 56 1HA GLY 11 1HA GLY 11 -7.206 5.852 0.324 57 2HA GLY 11 2HA GLY 11 -7.511 7.604 0.280 58 H ASP 12 H ASP 12 -5.052 7.496 0.289 59 HA ASP 12 HA ASP 12 -3.969 7.365 -2.515 60 1HB ASP 12 1HB ASP 12 -2.397 9.266 -1.721 61 2HB ASP 12 2HB ASP 12 -4.041 9.650 -2.174 62 H CYS 13 H CYS 13 -2.036 8.247 0.276 63 HA CYS 13 HA CYS 13 -0.729 5.591 0.439 64 1HB CYS 13 1HB CYS 13 0.588 8.245 -0.152 65 2HB CYS 13 2HB CYS 13 1.450 6.919 0.614 66 H THR 14 H THR 14 -1.413 8.821 1.870 67 HA THR 14 HA THR 14 -0.325 8.137 4.480 68 HB THR 14 HB THR 14 -2.458 10.206 3.763 69 HG1 THR 14 HG1 THR 14 -1.019 11.328 2.891 70 1HG2 THR 14 1HG2 THR 14 -0.434 10.004 6.050 71 2HG2 THR 14 2HG2 THR 14 -1.499 11.400 5.723 72 3HG2 THR 14 3HG2 THR 14 -2.196 9.838 6.171 73 H THR 15 H THR 15 -3.628 8.499 3.143 74 HA THR 15 HA THR 15 -4.805 7.618 5.561 75 HB THR 15 HB THR 15 -5.287 9.484 3.920 76 HG1 THR 15 HG1 THR 15 -7.465 9.419 4.062 77 1HG2 THR 15 1HG2 THR 15 -5.163 8.207 1.834 78 2HG2 THR 15 2HG2 THR 15 -6.663 7.350 2.283 79 3HG2 THR 15 3HG2 THR 15 -6.672 9.094 1.971 80 H CYS 16 H CYS 16 -3.322 5.510 4.270 81 HA CYS 16 HA CYS 16 -5.239 3.238 4.347 82 1HB CYS 16 1HB CYS 16 -3.310 3.826 2.050 83 2HB CYS 16 2HB CYS 16 -4.107 2.281 2.281 84 H PHE 17 H PHE 17 -2.510 4.708 5.559 85 HA PHE 17 HA PHE 17 -1.028 2.158 5.835 86 1HB PHE 17 1HB PHE 17 0.157 4.062 4.825 87 2HB PHE 17 2HB PHE 17 -0.144 5.031 6.286 88 HD1 PHE 17 HD1 PHE 17 1.038 1.549 5.600 89 HD2 PHE 17 HD2 PHE 17 1.865 5.275 7.560 90 HE1 PHE 17 HE1 PHE 17 2.974 0.493 6.752 91 HE2 PHE 17 HE2 PHE 17 3.800 4.231 8.698 92 HZ PHE 17 HZ PHE 17 4.372 1.799 8.220 93 H ASN 18 H ASN 18 -2.719 4.680 7.664 94 HA ASN 18 HA ASN 18 -3.226 4.987 9.829 95 1HB ASN 18 1HB ASN 18 -4.443 2.790 9.264 96 2HB ASN 18 2HB ASN 18 -3.042 2.015 10.043 97 1HD2 ASN 18 2HD2 ASN 18 -4.538 1.061 11.600 98 2HD2 ASN 18 1HD2 ASN 18 -5.005 1.989 12.995 99 H ASN 19 H ASN 19 -0.492 5.128 9.247 100 HA ASN 19 HA ASN 19 1.566 4.683 9.722 101 1HB ASN 19 1HB ASN 19 0.874 6.543 11.241 102 2HB ASN 19 2HB ASN 19 0.973 5.367 12.576 103 1HD2 ASN 19 2HD2 ASN 19 3.041 5.094 13.432 104 2HD2 ASN 19 1HD2 ASN 19 4.536 5.574 12.662 105 H GLY 20 H GLY 20 0.739 2.323 9.291 106 1HA GLY 20 1HA GLY 20 2.618 0.762 10.878 107 2HA GLY 20 2HA GLY 20 2.115 0.486 9.232 108 H THR 21 H THR 21 -0.764 1.019 10.578 109 HA THR 21 HA THR 21 -1.322 -1.830 11.044 110 HB THR 21 HB THR 21 -0.887 -1.232 13.174 111 HG1 THR 21 HG1 THR 21 -2.805 -2.295 13.122 112 1HG2 THR 21 1HG2 THR 21 -2.371 1.276 12.587 113 2HG2 THR 21 2HG2 THR 21 -1.990 0.765 14.253 114 3HG2 THR 21 3HG2 THR 21 -0.681 1.067 13.084 115 H GLY 22 H GLY 22 -1.679 -0.563 8.659 116 1HA GLY 22 1HA GLY 22 -3.284 0.915 7.522 117 2HA GLY 22 2HA GLY 22 -4.577 0.121 8.440 118 HA PRO 23 HA PRO 23 -5.052 -2.892 5.333 119 1HB PRO 23 1HB PRO 23 -5.846 -1.701 2.976 120 2HB PRO 23 2HB PRO 23 -6.885 -1.861 4.414 121 1HG PRO 23 1HG PRO 23 -5.283 0.543 3.525 122 2HG PRO 23 2HG PRO 23 -6.957 0.491 4.136 123 1HD PRO 23 1HD PRO 23 -4.905 1.172 5.777 124 2HD PRO 23 2HD PRO 23 -6.264 0.237 6.337 125 H CYS 24 H CYS 24 -3.274 -0.142 3.815 126 HA CYS 24 HA CYS 24 -1.441 -2.119 2.543 127 1HB CYS 24 1HB CYS 24 -2.610 0.200 1.424 128 2HB CYS 24 2HB CYS 24 -0.931 0.616 1.740 129 H ALA 25 H ALA 25 -0.531 -2.602 4.586 130 HA ALA 25 HA ALA 25 1.199 -0.460 5.722 131 1HB ALA 25 1HB ALA 25 -0.297 -2.544 7.329 132 2HB ALA 25 2HB ALA 25 -0.561 -0.777 7.307 133 3HB ALA 25 3HB ALA 25 0.951 -1.452 7.951 134 H ASN 26 H ASN 26 0.828 -4.031 5.536 135 HA ASN 26 HA ASN 26 3.574 -4.386 6.277 136 1HB ASN 26 1HB ASN 26 3.374 -6.697 5.766 137 2HB ASN 26 2HB ASN 26 1.933 -6.177 6.619 138 1HD2 ASN 26 2HD2 ASN 26 -0.131 -6.089 5.441 139 2HD2 ASN 26 1HD2 ASN 26 -0.289 -6.758 3.858 140 H CYS 27 H CYS 27 1.996 -3.739 3.265 141 HA CYS 27 HA CYS 27 4.182 -4.245 1.453 142 1HB CYS 27 1HB CYS 27 1.875 -2.359 1.075 143 2HB CYS 27 2HB CYS 27 3.050 -2.896 -0.089 144 H LEU 28 H LEU 28 4.196 -1.843 4.063 145 HA LEU 28 HA LEU 28 6.192 -0.311 2.557 146 1HB LEU 28 1HB LEU 28 4.799 0.040 5.240 147 2HB LEU 28 2HB LEU 28 5.985 1.130 4.595 148 HG LEU 28 HG LEU 28 3.671 1.808 4.435 149 1HD1 LEU 28 1HD1 LEU 28 5.611 2.472 2.770 150 2HD1 LEU 28 2HD1 LEU 28 4.586 1.621 1.599 151 3HD1 LEU 28 3HD1 LEU 28 3.942 3.033 2.456 152 1HD2 LEU 28 1HD2 LEU 28 2.612 -0.312 3.774 153 2HD2 LEU 28 2HD2 LEU 28 2.079 1.118 2.905 154 3HD2 LEU 28 3HD2 LEU 28 3.216 -0.004 2.100 155 H ALA 29 H ALA 29 5.812 -1.561 5.901 156 HA ALA 29 HA ALA 29 8.599 -1.310 6.444 157 1HB ALA 29 1HB ALA 29 7.982 -2.185 8.659 158 2HB ALA 29 2HB ALA 29 6.863 -0.927 8.134 159 3HB ALA 29 3HB ALA 29 6.383 -2.631 8.053 160 H GLY 30 H GLY 30 7.134 -3.750 4.674 161 1HA GLY 30 1HA GLY 30 8.221 -6.178 5.274 162 2HA GLY 30 2HA GLY 30 9.618 -5.224 4.740 163 H TYR 31 H TYR 31 9.322 -4.007 2.552 164 HA TYR 31 HA TYR 31 7.347 -5.504 0.820 165 1HB TYR 31 1HB TYR 31 6.581 -3.565 0.149 166 2HB TYR 31 2HB TYR 31 7.122 -2.954 1.703 167 HD1 TYR 31 HD1 TYR 31 10.173 -2.906 0.798 168 HD2 TYR 31 HD2 TYR 31 6.497 -1.503 -0.834 169 HE1 TYR 31 HE1 TYR 31 11.425 -1.323 -0.653 170 HE2 TYR 31 HE2 TYR 31 7.671 0.196 -2.209 171 HH TYR 31 HH TYR 31 11.306 0.250 -2.342 172 HA PRO 32 HA PRO 32 11.557 -5.404 -1.240 173 1HB PRO 32 1HB PRO 32 12.343 -8.063 -1.103 174 2HB PRO 32 2HB PRO 32 12.869 -6.767 0.008 175 1HG PRO 32 1HG PRO 32 10.778 -8.891 0.433 176 2HG PRO 32 2HG PRO 32 11.903 -8.134 1.616 177 1HD PRO 32 1HD PRO 32 9.259 -7.434 1.411 178 2HD PRO 32 2HD PRO 32 10.566 -6.339 1.960 179 H ALA 33 H ALA 33 8.909 -7.644 -1.285 180 HA ALA 33 HA ALA 33 9.101 -8.155 -4.201 181 1HB ALA 33 1HB ALA 33 7.675 -10.047 -3.680 182 2HB ALA 33 2HB ALA 33 9.073 -10.061 -2.596 183 3HB ALA 33 3HB ALA 33 7.497 -9.478 -1.994 184 H GLY 34 H GLY 34 7.661 -5.805 -2.315 185 1HA GLY 34 1HA GLY 34 5.641 -4.673 -2.313 186 2HA GLY 34 2HA GLY 34 4.906 -6.250 -2.597 187 H CYS 35 H CYS 35 7.116 -4.702 -4.925 188 HA CYS 35 HA CYS 35 5.246 -3.670 -6.722 189 1HB CYS 35 1HB CYS 35 7.821 -5.134 -7.444 190 2HB CYS 35 2HB CYS 35 6.958 -3.982 -8.440 191 H SER 36 H SER 36 5.953 -7.186 -6.151 192 HA SER 36 HA SER 36 4.601 -7.869 -8.617 193 1HB SER 36 1HB SER 36 5.476 -9.933 -8.276 194 2HB SER 36 2HB SER 36 6.725 -8.867 -7.647 195 HG SER 36 HG SER 36 6.226 -10.778 -6.455 196 H ASN 37 H ASN 37 3.850 -7.165 -5.391 197 HA ASN 37 HA ASN 37 1.406 -8.843 -5.324 198 1HB ASN 37 1HB ASN 37 2.953 -7.431 -3.244 199 2HB ASN 37 2HB ASN 37 1.251 -7.006 -3.182 200 1HD2 ASN 37 2HD2 ASN 37 -0.204 -8.416 -2.269 201 2HD2 ASN 37 1HD2 ASN 37 0.052 -10.140 -2.203 202 H SER 38 H SER 38 0.346 -8.066 -7.186 203 HA SER 38 HA SER 38 0.029 -5.478 -7.993 204 1HB SER 38 1HB SER 38 -1.024 -7.964 -8.728 205 2HB SER 38 2HB SER 38 -2.429 -6.927 -8.467 206 HG SER 38 HG SER 38 -1.945 -5.873 -10.134 207 H ASP 39 H ASP 39 -1.955 -7.031 -5.411 208 HA ASP 39 HA ASP 39 -3.873 -5.015 -5.057 209 1HB ASP 39 1HB ASP 39 -3.917 -7.206 -3.946 210 2HB ASP 39 2HB ASP 39 -2.568 -6.759 -2.916 211 H CYS 40 H CYS 40 -0.484 -5.008 -4.170 212 HA CYS 40 HA CYS 40 -0.746 -2.510 -2.563 213 1HB CYS 40 1HB CYS 40 1.356 -4.731 -2.638 214 2HB CYS 40 2HB CYS 40 1.686 -3.165 -1.894 215 H THR 41 H THR 41 0.293 -3.816 -5.640 216 HA THR 41 HA THR 41 2.552 -2.297 -6.135 217 HB THR 41 HB THR 41 0.412 -3.424 -7.946 218 HG1 THR 41 HG1 THR 41 1.966 -4.675 -6.414 219 1HG2 THR 41 1HG2 THR 41 1.816 -1.810 -9.233 220 2HG2 THR 41 2HG2 THR 41 3.249 -2.772 -8.774 221 3HG2 THR 41 3HG2 THR 41 1.917 -3.525 -9.711 222 H ALA 42 H ALA 42 -0.843 -1.354 -7.206 223 HA ALA 42 HA ALA 42 0.115 1.067 -8.364 224 1HB ALA 42 1HB ALA 42 -2.150 -0.004 -8.806 225 2HB ALA 42 2HB ALA 42 -2.694 0.579 -7.218 226 3HB ALA 42 3HB ALA 42 -2.221 1.733 -8.480 227 H PHE 43 H PHE 43 -1.022 0.407 -5.043 228 HA PHE 43 HA PHE 43 -0.802 3.056 -3.991 229 1HB PHE 43 1HB PHE 43 -1.859 1.274 -2.710 230 2HB PHE 43 2HB PHE 43 -0.389 0.317 -2.749 231 HD1 PHE 43 HD1 PHE 43 -2.138 2.955 -0.841 232 HD2 PHE 43 HD2 PHE 43 1.538 0.791 -1.440 233 HE1 PHE 43 HE1 PHE 43 -1.309 3.701 1.355 234 HE2 PHE 43 HE2 PHE 43 2.389 1.643 0.700 235 HZ PHE 43 HZ PHE 43 0.961 3.086 2.132 236 H LEU 44 H LEU 44 1.690 0.377 -3.793 237 HA LEU 44 HA LEU 44 3.657 2.084 -2.931 238 1HB LEU 44 1HB LEU 44 4.028 -0.441 -4.619 239 2HB LEU 44 2HB LEU 44 5.270 0.354 -3.668 240 HG LEU 44 HG LEU 44 2.766 -0.850 -2.460 241 1HD1 LEU 44 1HD1 LEU 44 5.567 -1.922 -2.837 242 2HD1 LEU 44 2HD1 LEU 44 4.366 -2.642 -1.742 243 3HD1 LEU 44 3HD1 LEU 44 4.069 -2.571 -3.496 244 1HD2 LEU 44 1HD2 LEU 44 3.745 1.059 -1.157 245 2HD2 LEU 44 2HD2 LEU 44 3.690 -0.472 -0.363 246 3HD2 LEU 44 3HD2 LEU 44 5.233 0.127 -1.036 247 H SER 45 H SER 45 2.803 1.455 -6.316 248 HA SER 45 HA SER 45 4.873 2.762 -7.641 249 1HB SER 45 1HB SER 45 1.946 2.122 -8.040 250 2HB SER 45 2HB SER 45 2.714 3.110 -9.227 251 HG SER 45 HG SER 45 3.285 1.357 -10.032 252 H GLN 46 H GLN 46 1.880 4.110 -6.067 253 HA GLN 46 HA GLN 46 2.619 6.845 -6.698 254 1HB GLN 46 1HB GLN 46 0.625 5.773 -4.648 255 2HB GLN 46 2HB GLN 46 0.928 7.471 -4.995 256 1HG GLN 46 1HG GLN 46 0.400 6.900 -7.461 257 2HG GLN 46 2HG GLN 46 -0.251 5.382 -6.838 258 1HE2 GLN 46 2HE2 GLN 46 -2.491 5.559 -7.003 259 2HE2 GLN 46 1HE2 GLN 46 -3.379 7.001 -6.588 260 H CYS 47 H CYS 47 2.886 4.832 -3.687 261 HA CYS 47 HA CYS 47 3.979 7.066 -2.306 262 1HB CYS 47 1HB CYS 47 4.400 4.309 -1.181 263 2HB CYS 47 2HB CYS 47 3.995 5.842 -0.400 264 H TYR 48 H TYR 48 5.642 4.059 -3.375 265 HA TYR 48 HA TYR 48 8.309 5.107 -2.683 266 1HB TYR 48 1HB TYR 48 7.322 2.440 -3.617 267 2HB TYR 48 2HB TYR 48 9.017 2.895 -3.612 268 HD1 TYR 48 HD1 TYR 48 6.072 2.294 -1.465 269 HD2 TYR 48 HD2 TYR 48 10.298 3.087 -1.601 270 HE1 TYR 48 HE1 TYR 48 6.359 1.321 0.778 271 HE2 TYR 48 HE2 TYR 48 10.550 2.296 0.732 272 HH TYR 48 HH TYR 48 9.386 0.816 2.334 273 H GLY 49 H GLY 49 6.586 3.818 -5.574 274 1HA GLY 49 1HA GLY 49 8.702 5.041 -7.312 275 2HA GLY 49 2HA GLY 49 7.009 5.086 -7.745 276 H GLY 50 H GLY 50 7.563 2.116 -6.213 277 1HA GLY 50 1HA GLY 50 7.612 0.675 -8.764 278 2HA GLY 50 2HA GLY 50 7.379 0.003 -7.164 279 H CYS 51 H CYS 51 9.108 -0.535 -5.953 280 HA CYS 51 HA CYS 51 11.724 -0.250 -5.860 281 1HB CYS 51 1HB CYS 51 11.795 -2.488 -4.937 282 2HB CYS 51 2HB CYS 51 10.394 -1.629 -4.383 No H/Q in entry = 282 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -8.159 -6.140 -3.614 2 H2 GLY 1 H2 GLY 1 -6.531 -6.130 -3.318 3 H3 GLY 1 H3 GLY 1 -7.263 -7.510 -3.836 4 1HA GLY 1 1HA GLY 1 -6.745 -7.586 -1.507 5 2HA GLY 1 2HA GLY 1 -8.489 -7.676 -1.786 6 H GLU 2 H GLU 2 -7.130 -6.716 0.640 7 HA GLU 2 HA GLU 2 -8.960 -4.644 1.123 8 1HB GLU 2 1HB GLU 2 -7.792 -4.318 3.280 9 2HB GLU 2 2HB GLU 2 -8.378 -5.960 2.926 10 1HG GLU 2 1HG GLU 2 -6.027 -6.451 2.091 11 2HG GLU 2 2HG GLU 2 -5.508 -4.943 2.826 12 H CYS 3 H CYS 3 -5.599 -4.407 -0.004 13 HA CYS 3 HA CYS 3 -5.460 -1.585 0.708 14 1HB CYS 3 1HB CYS 3 -3.407 -2.809 0.611 15 2HB CYS 3 2HB CYS 3 -3.689 -3.297 -1.060 16 H GLU 4 H GLU 4 -6.047 -3.429 -2.329 17 HA GLU 4 HA GLU 4 -6.639 -1.211 -4.008 18 1HB GLU 4 1HB GLU 4 -7.966 -3.953 -4.040 19 2HB GLU 4 2HB GLU 4 -7.956 -2.774 -5.349 20 1HG GLU 4 1HG GLU 4 -5.546 -3.032 -5.635 21 2HG GLU 4 2HG GLU 4 -5.512 -4.144 -4.253 22 H GLN 5 H GLN 5 -8.623 -2.824 -1.533 23 HA GLN 5 HA GLN 5 -11.080 -1.499 -2.328 24 1HB GLN 5 1HB GLN 5 -11.120 -3.656 -1.149 25 2HB GLN 5 2HB GLN 5 -10.349 -2.914 0.261 26 1HG GLN 5 1HG GLN 5 -12.779 -3.209 0.553 27 2HG GLN 5 2HG GLN 5 -12.288 -1.524 0.675 28 1HE2 GLN 5 2HE2 GLN 5 -13.599 -3.899 -1.784 29 2HE2 GLN 5 1HE2 GLN 5 -14.430 -2.650 -2.693 30 H CYS 6 H CYS 6 -8.439 -0.817 -0.033 31 HA CYS 6 HA CYS 6 -9.625 1.504 1.131 32 1HB CYS 6 1HB CYS 6 -7.502 0.110 1.740 33 2HB CYS 6 2HB CYS 6 -6.654 1.192 0.642 34 H PHE 7 H PHE 7 -7.614 1.049 -1.816 35 HA PHE 7 HA PHE 7 -7.728 3.781 -2.678 36 1HB PHE 7 1HB PHE 7 -6.937 1.177 -3.824 37 2HB PHE 7 2HB PHE 7 -7.653 2.250 -4.995 38 HD1 PHE 7 HD1 PHE 7 -6.636 4.470 -5.519 39 HD2 PHE 7 HD2 PHE 7 -4.756 1.756 -2.734 40 HE1 PHE 7 HE1 PHE 7 -4.565 5.802 -5.641 41 HE2 PHE 7 HE2 PHE 7 -2.680 3.095 -2.899 42 HZ PHE 7 HZ PHE 7 -2.538 5.102 -4.316 43 H SER 8 H SER 8 -10.031 1.048 -3.282 44 HA SER 8 HA SER 8 -11.933 2.652 -4.725 45 1HB SER 8 1HB SER 8 -12.081 0.044 -3.209 46 2HB SER 8 2HB SER 8 -13.508 0.782 -3.926 47 HG SER 8 HG SER 8 -12.995 0.101 -5.732 48 H ASP 9 H ASP 9 -10.946 3.138 -1.547 49 HA ASP 9 HA ASP 9 -13.517 4.534 -0.943 50 1HB ASP 9 1HB ASP 9 -12.676 2.439 0.493 51 2HB ASP 9 2HB ASP 9 -11.614 3.627 1.217 52 H GLY 10 H GLY 10 -11.303 5.383 -2.585 53 1HA GLY 10 1HA GLY 10 -11.004 8.021 -1.482 54 2HA GLY 10 2HA GLY 10 -10.425 7.427 -3.049 55 H GLY 11 H GLY 11 -9.085 5.265 -1.018 56 1HA GLY 11 1HA GLY 11 -7.029 4.863 -0.295 57 2HA GLY 11 2HA GLY 11 -7.118 6.448 0.500 58 H ASP 12 H ASP 12 -4.909 6.987 0.182 59 HA ASP 12 HA ASP 12 -3.899 7.054 -2.627 60 1HB ASP 12 1HB ASP 12 -2.564 9.112 -1.856 61 2HB ASP 12 2HB ASP 12 -4.242 9.269 -2.308 62 H CYS 13 H CYS 13 -2.160 8.049 0.245 63 HA CYS 13 HA CYS 13 -0.515 5.586 0.299 64 1HB CYS 13 1HB CYS 13 0.532 8.390 -0.239 65 2HB CYS 13 2HB CYS 13 1.525 7.117 0.456 66 H THR 14 H THR 14 -0.968 8.910 1.611 67 HA THR 14 HA THR 14 -0.278 8.258 4.322 68 HB THR 14 HB THR 14 -1.918 10.450 3.000 69 HG1 THR 14 HG1 THR 14 0.747 10.091 3.803 70 1HG2 THR 14 1HG2 THR 14 -0.966 10.248 5.876 71 2HG2 THR 14 2HG2 THR 14 -1.389 11.780 5.074 72 3HG2 THR 14 3HG2 THR 14 -2.620 10.546 5.258 73 H THR 15 H THR 15 -3.546 8.490 2.633 74 HA THR 15 HA THR 15 -4.657 7.851 5.231 75 HB THR 15 HB THR 15 -5.198 9.628 3.440 76 HG1 THR 15 HG1 THR 15 -7.534 9.324 4.152 77 1HG2 THR 15 1HG2 THR 15 -5.710 7.886 1.639 78 2HG2 THR 15 2HG2 THR 15 -7.269 7.667 2.461 79 3HG2 THR 15 3HG2 THR 15 -6.808 9.250 1.816 80 H CYS 16 H CYS 16 -3.296 5.637 4.035 81 HA CYS 16 HA CYS 16 -5.187 3.415 4.510 82 1HB CYS 16 1HB CYS 16 -3.808 3.873 1.841 83 2HB CYS 16 2HB CYS 16 -4.375 2.287 2.343 84 H PHE 17 H PHE 17 -2.158 4.868 5.012 85 HA PHE 17 HA PHE 17 -0.847 2.249 5.469 86 1HB PHE 17 1HB PHE 17 0.513 4.145 4.627 87 2HB PHE 17 2HB PHE 17 0.086 5.090 6.052 88 HD1 PHE 17 HD1 PHE 17 1.987 5.263 7.524 89 HD2 PHE 17 HD2 PHE 17 1.197 1.535 5.516 90 HE1 PHE 17 HE1 PHE 17 3.948 4.226 8.625 91 HE2 PHE 17 HE2 PHE 17 3.087 0.468 6.733 92 HZ PHE 17 HZ PHE 17 4.486 1.832 8.231 93 H ASN 18 H ASN 18 -2.606 4.838 7.145 94 HA ASN 18 HA ASN 18 -3.199 5.286 9.216 95 1HB ASN 18 1HB ASN 18 -4.110 2.807 8.700 96 2HB ASN 18 2HB ASN 18 -3.126 2.484 10.130 97 1HD2 ASN 18 2HD2 ASN 18 -6.189 3.091 9.144 98 2HD2 ASN 18 1HD2 ASN 18 -6.832 3.849 10.576 99 H ASN 19 H ASN 19 -0.138 4.271 8.710 100 HA ASN 19 HA ASN 19 1.779 4.542 9.830 101 1HB ASN 19 1HB ASN 19 0.663 6.215 11.280 102 2HB ASN 19 2HB ASN 19 0.522 4.942 12.516 103 1HD2 ASN 19 2HD2 ASN 19 2.376 4.736 13.853 104 2HD2 ASN 19 1HD2 ASN 19 3.834 5.664 13.486 105 H GLY 20 H GLY 20 1.581 2.392 8.920 106 1HA GLY 20 1HA GLY 20 2.624 0.510 10.698 107 2HA GLY 20 2HA GLY 20 2.196 0.219 9.025 108 H THR 21 H THR 21 -0.658 1.181 10.001 109 HA THR 21 HA THR 21 -1.607 -1.403 11.142 110 HB THR 21 HB THR 21 -3.039 0.248 12.573 111 HG1 THR 21 HG1 THR 21 -0.721 1.846 12.173 112 1HG2 THR 21 1HG2 THR 21 -1.224 -1.283 13.389 113 2HG2 THR 21 2HG2 THR 21 -0.054 0.021 13.164 114 3HG2 THR 21 3HG2 THR 21 -1.380 0.216 14.329 115 H GLY 22 H GLY 22 -1.930 0.608 8.505 116 1HA GLY 22 1HA GLY 22 -3.705 1.150 7.112 117 2HA GLY 22 2HA GLY 22 -4.840 0.286 8.166 118 HA PRO 23 HA PRO 23 -4.696 -3.143 5.537 119 1HB PRO 23 1HB PRO 23 -5.765 -2.520 3.085 120 2HB PRO 23 2HB PRO 23 -6.714 -2.578 4.597 121 1HG PRO 23 1HG PRO 23 -5.585 -0.172 3.166 122 2HG PRO 23 2HG PRO 23 -7.184 -0.356 3.959 123 1HD PRO 23 1HD PRO 23 -5.007 0.891 5.100 124 2HD PRO 23 2HD PRO 23 -6.282 0.178 6.041 125 H CYS 24 H CYS 24 -3.142 -0.338 3.908 126 HA CYS 24 HA CYS 24 -1.325 -2.217 2.474 127 1HB CYS 24 1HB CYS 24 -2.596 0.195 1.598 128 2HB CYS 24 2HB CYS 24 -0.900 0.570 1.794 129 H ALA 25 H ALA 25 -0.522 -2.730 4.669 130 HA ALA 25 HA ALA 25 1.281 -0.581 5.727 131 1HB ALA 25 1HB ALA 25 1.015 -1.636 7.936 132 2HB ALA 25 2HB ALA 25 -0.272 -2.658 7.257 133 3HB ALA 25 3HB ALA 25 -0.460 -0.878 7.293 134 H ASN 26 H ASN 26 1.021 -4.204 5.508 135 HA ASN 26 HA ASN 26 3.836 -4.420 6.189 136 1HB ASN 26 1HB ASN 26 2.035 -6.443 4.767 137 2HB ASN 26 2HB ASN 26 3.691 -6.733 5.289 138 1HD2 ASN 26 2HD2 ASN 26 0.363 -6.535 6.423 139 2HD2 ASN 26 1HD2 ASN 26 0.692 -6.849 8.097 140 H CYS 27 H CYS 27 2.033 -3.851 3.246 141 HA CYS 27 HA CYS 27 4.020 -4.147 1.276 142 1HB CYS 27 1HB CYS 27 1.738 -2.163 1.217 143 2HB CYS 27 2HB CYS 27 2.754 -2.716 -0.082 144 H LEU 28 H LEU 28 4.268 -1.832 3.987 145 HA LEU 28 HA LEU 28 6.121 -0.206 2.438 146 1HB LEU 28 1HB LEU 28 4.916 -0.164 5.237 147 2HB LEU 28 2HB LEU 28 6.161 0.959 4.724 148 HG LEU 28 HG LEU 28 3.896 1.807 4.582 149 1HD1 LEU 28 1HD1 LEU 28 5.866 2.537 3.054 150 2HD1 LEU 28 2HD1 LEU 28 5.003 1.612 1.816 151 3HD1 LEU 28 3HD1 LEU 28 4.224 3.026 2.542 152 1HD2 LEU 28 1HD2 LEU 28 2.730 -0.246 3.732 153 2HD2 LEU 28 2HD2 LEU 28 2.286 1.277 2.980 154 3HD2 LEU 28 3HD2 LEU 28 3.379 0.174 2.109 155 H ALA 29 H ALA 29 6.252 -1.951 5.583 156 HA ALA 29 HA ALA 29 9.080 -1.484 5.808 157 1HB ALA 29 1HB ALA 29 8.890 -2.917 7.819 158 2HB ALA 29 2HB ALA 29 7.685 -1.612 7.792 159 3HB ALA 29 3HB ALA 29 7.203 -3.277 7.401 160 H GLY 30 H GLY 30 7.414 -4.697 5.830 161 1HA GLY 30 1HA GLY 30 8.320 -6.731 5.158 162 2HA GLY 30 2HA GLY 30 9.753 -5.897 4.510 163 H TYR 31 H TYR 31 9.266 -4.367 2.563 164 HA TYR 31 HA TYR 31 7.167 -5.671 0.839 165 1HB TYR 31 1HB TYR 31 6.567 -3.680 0.108 166 2HB TYR 31 2HB TYR 31 6.987 -3.143 1.730 167 HD1 TYR 31 HD1 TYR 31 10.127 -3.246 1.062 168 HD2 TYR 31 HD2 TYR 31 6.697 -1.575 -0.839 169 HE1 TYR 31 HE1 TYR 31 11.559 -1.485 0.030 170 HE2 TYR 31 HE2 TYR 31 8.068 0.150 -1.977 171 HH TYR 31 HH TYR 31 10.299 1.170 -1.802 172 HA PRO 32 HA PRO 32 11.243 -5.564 -1.371 173 1HB PRO 32 1HB PRO 32 12.262 -8.154 -1.237 174 2HB PRO 32 2HB PRO 32 12.650 -6.862 -0.060 175 1HG PRO 32 1HG PRO 32 10.566 -9.056 0.197 176 2HG PRO 32 2HG PRO 32 11.749 -8.485 1.409 177 1HD PRO 32 1HD PRO 32 9.162 -7.598 1.432 178 2HD PRO 32 2HD PRO 32 10.533 -6.541 1.880 179 H ALA 33 H ALA 33 9.091 -8.320 -1.005 180 HA ALA 33 HA ALA 33 8.696 -8.752 -3.911 181 1HB ALA 33 1HB ALA 33 7.193 -10.542 -3.115 182 2HB ALA 33 2HB ALA 33 8.755 -10.654 -2.266 183 3HB ALA 33 3HB ALA 33 7.354 -9.952 -1.441 184 H GLY 34 H GLY 34 7.473 -6.677 -1.429 185 1HA GLY 34 1HA GLY 34 5.372 -5.695 -1.026 186 2HA GLY 34 2HA GLY 34 4.671 -7.005 -1.981 187 H CYS 35 H CYS 35 7.099 -4.782 -3.402 188 HA CYS 35 HA CYS 35 5.315 -3.176 -4.873 189 1HB CYS 35 1HB CYS 35 8.075 -4.232 -5.498 190 2HB CYS 35 2HB CYS 35 7.308 -2.902 -6.331 191 H SER 36 H SER 36 6.109 -6.656 -5.435 192 HA SER 36 HA SER 36 5.383 -6.425 -8.193 193 1HB SER 36 1HB SER 36 5.934 -8.721 -8.264 194 2HB SER 36 2HB SER 36 7.133 -7.909 -7.268 195 HG SER 36 HG SER 36 5.956 -8.706 -5.409 196 H ASN 37 H ASN 37 3.831 -6.821 -5.219 197 HA ASN 37 HA ASN 37 1.669 -8.630 -5.933 198 1HB ASN 37 1HB ASN 37 2.699 -7.275 -3.492 199 2HB ASN 37 2HB ASN 37 0.977 -7.177 -3.549 200 1HD2 ASN 37 2HD2 ASN 37 -0.023 -8.880 -2.386 201 2HD2 ASN 37 1HD2 ASN 37 0.435 -10.522 -2.717 202 H SER 38 H SER 38 0.096 -7.850 -7.490 203 HA SER 38 HA SER 38 -0.216 -5.125 -8.029 204 1HB SER 38 1HB SER 38 -0.836 -6.939 -9.547 205 2HB SER 38 2HB SER 38 -2.293 -7.233 -8.583 206 HG SER 38 HG SER 38 -2.882 -5.063 -9.028 207 H ASP 39 H ASP 39 -1.735 -7.018 -5.487 208 HA ASP 39 HA ASP 39 -3.927 -5.413 -4.771 209 1HB ASP 39 1HB ASP 39 -3.455 -7.600 -3.804 210 2HB ASP 39 2HB ASP 39 -1.988 -6.978 -3.049 211 H CYS 40 H CYS 40 -0.510 -4.839 -4.371 212 HA CYS 40 HA CYS 40 -0.932 -2.394 -2.728 213 1HB CYS 40 1HB CYS 40 1.198 -4.573 -2.678 214 2HB CYS 40 2HB CYS 40 1.545 -2.961 -2.044 215 H THR 41 H THR 41 -0.319 -3.301 -5.885 216 HA THR 41 HA THR 41 2.137 -1.927 -6.357 217 HB THR 41 HB THR 41 -0.076 -3.154 -7.980 218 HG1 THR 41 HG1 THR 41 2.164 -3.961 -6.888 219 1HG2 THR 41 1HG2 THR 41 2.297 -1.828 -9.303 220 2HG2 THR 41 2HG2 THR 41 1.146 -2.984 -10.026 221 3HG2 THR 41 3HG2 THR 41 0.574 -1.395 -9.499 222 H ALA 42 H ALA 42 -1.311 -0.853 -6.864 223 HA ALA 42 HA ALA 42 -0.341 1.557 -8.189 224 1HB ALA 42 1HB ALA 42 -2.611 0.701 -8.569 225 2HB ALA 42 2HB ALA 42 -3.028 1.056 -6.868 226 3HB ALA 42 3HB ALA 42 -2.594 2.379 -7.984 227 H PHE 43 H PHE 43 -0.995 0.601 -4.874 228 HA PHE 43 HA PHE 43 -0.593 3.161 -3.630 229 1HB PHE 43 1HB PHE 43 -1.620 1.218 -2.475 230 2HB PHE 43 2HB PHE 43 -0.116 0.341 -2.574 231 HD1 PHE 43 HD1 PHE 43 1.860 1.063 -1.356 232 HD2 PHE 43 HD2 PHE 43 -1.985 2.790 -0.616 233 HE1 PHE 43 HE1 PHE 43 2.716 1.997 0.771 234 HE2 PHE 43 HE2 PHE 43 -1.180 3.634 1.575 235 HZ PHE 43 HZ PHE 43 1.204 3.256 2.251 236 H LEU 44 H LEU 44 1.829 0.404 -3.743 237 HA LEU 44 HA LEU 44 3.876 2.125 -3.069 238 1HB LEU 44 1HB LEU 44 4.166 -0.542 -4.555 239 2HB LEU 44 2HB LEU 44 5.404 0.315 -3.702 240 HG LEU 44 HG LEU 44 2.819 -0.671 -2.395 241 1HD1 LEU 44 1HD1 LEU 44 5.518 -1.978 -2.669 242 2HD1 LEU 44 2HD1 LEU 44 4.332 -2.471 -1.453 243 3HD1 LEU 44 3HD1 LEU 44 3.926 -2.569 -3.174 244 1HD2 LEU 44 1HD2 LEU 44 4.056 1.251 -1.208 245 2HD2 LEU 44 2HD2 LEU 44 3.711 -0.194 -0.309 246 3HD2 LEU 44 3HD2 LEU 44 5.342 0.057 -0.971 247 H SER 45 H SER 45 2.884 1.420 -6.338 248 HA SER 45 HA SER 45 4.862 2.646 -7.882 249 1HB SER 45 1HB SER 45 2.659 1.548 -8.678 250 2HB SER 45 2HB SER 45 1.840 3.031 -8.219 251 HG SER 45 HG SER 45 2.487 2.818 -10.464 252 H GLN 46 H GLN 46 2.199 4.166 -6.062 253 HA GLN 46 HA GLN 46 3.042 6.904 -6.676 254 1HB GLN 46 1HB GLN 46 0.803 5.559 -5.129 255 2HB GLN 46 2HB GLN 46 1.092 7.267 -4.877 256 1HG GLN 46 1HG GLN 46 0.920 7.748 -7.249 257 2HG GLN 46 2HG GLN 46 0.847 6.034 -7.658 258 1HE2 GLN 46 2HE2 GLN 46 -1.058 4.808 -6.542 259 2HE2 GLN 46 1HE2 GLN 46 -2.600 5.617 -6.718 260 H CYS 47 H CYS 47 2.758 5.075 -3.597 261 HA CYS 47 HA CYS 47 4.043 7.057 -2.174 262 1HB CYS 47 1HB CYS 47 4.169 4.238 -1.098 263 2HB CYS 47 2HB CYS 47 3.796 5.774 -0.306 264 H TYR 48 H TYR 48 5.613 4.204 -3.642 265 HA TYR 48 HA TYR 48 8.270 5.076 -2.585 266 1HB TYR 48 1HB TYR 48 7.420 2.508 -3.803 267 2HB TYR 48 2HB TYR 48 9.095 3.038 -3.732 268 HD1 TYR 48 HD1 TYR 48 6.162 2.130 -1.750 269 HD2 TYR 48 HD2 TYR 48 10.260 3.441 -1.562 270 HE1 TYR 48 HE1 TYR 48 6.368 1.199 0.506 271 HE2 TYR 48 HE2 TYR 48 10.411 2.662 0.780 272 HH TYR 48 HH TYR 48 8.429 0.396 2.113 273 H GLY 49 H GLY 49 6.396 4.519 -5.611 274 1HA GLY 49 1HA GLY 49 8.785 5.267 -7.219 275 2HA GLY 49 2HA GLY 49 7.145 5.612 -7.759 276 H GLY 50 H GLY 50 7.277 2.736 -5.926 277 1HA GLY 50 1HA GLY 50 7.247 0.894 -8.204 278 2HA GLY 50 2HA GLY 50 6.982 0.518 -6.502 279 H CYS 51 H CYS 51 8.537 -0.917 -5.859 280 HA CYS 51 HA CYS 51 11.356 -0.537 -6.008 281 1HB CYS 51 1HB CYS 51 10.046 -3.244 -6.148 282 2HB CYS 51 2HB CYS 51 11.606 -2.828 -5.519 No H/Q in entry = 282 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -8.165 -6.668 -3.290 2 H2 GLY 1 H2 GLY 1 -6.563 -6.324 -3.359 3 H3 GLY 1 H3 GLY 1 -7.093 -7.833 -3.743 4 1HA GLY 1 1HA GLY 1 -6.082 -7.793 -1.564 5 2HA GLY 1 2HA GLY 1 -7.809 -8.214 -1.499 6 H GLU 2 H GLU 2 -5.757 -6.664 0.317 7 HA GLU 2 HA GLU 2 -7.796 -5.049 1.523 8 1HB GLU 2 1HB GLU 2 -6.169 -4.671 3.270 9 2HB GLU 2 2HB GLU 2 -6.174 -6.369 2.773 10 1HG GLU 2 1HG GLU 2 -4.277 -5.616 1.169 11 2HG GLU 2 2HG GLU 2 -4.067 -4.255 2.258 12 H CYS 3 H CYS 3 -4.823 -4.283 -0.368 13 HA CYS 3 HA CYS 3 -5.192 -1.491 0.356 14 1HB CYS 3 1HB CYS 3 -2.972 -2.625 0.055 15 2HB CYS 3 2HB CYS 3 -3.238 -2.469 -1.686 16 H GLU 4 H GLU 4 -5.764 -3.527 -2.540 17 HA GLU 4 HA GLU 4 -6.649 -1.488 -4.307 18 1HB GLU 4 1HB GLU 4 -7.443 -4.384 -3.895 19 2HB GLU 4 2HB GLU 4 -8.277 -3.393 -5.097 20 1HG GLU 4 1HG GLU 4 -6.316 -2.970 -6.348 21 2HG GLU 4 2HG GLU 4 -5.258 -3.585 -5.089 22 H GLN 5 H GLN 5 -8.271 -2.964 -1.489 23 HA GLN 5 HA GLN 5 -10.874 -1.805 -2.025 24 1HB GLN 5 1HB GLN 5 -10.066 -3.769 -0.359 25 2HB GLN 5 2HB GLN 5 -9.888 -2.454 0.762 26 1HG GLN 5 1HG GLN 5 -12.494 -2.863 -0.753 27 2HG GLN 5 2HG GLN 5 -12.112 -3.775 0.701 28 1HE2 GLN 5 2HE2 GLN 5 -13.167 -0.641 -0.488 29 2HE2 GLN 5 1HE2 GLN 5 -13.236 0.134 1.076 30 H CYS 6 H CYS 6 -8.104 -0.932 0.073 31 HA CYS 6 HA CYS 6 -9.267 1.418 1.115 32 1HB CYS 6 1HB CYS 6 -7.086 0.120 1.754 33 2HB CYS 6 2HB CYS 6 -6.288 1.242 0.658 34 H PHE 7 H PHE 7 -7.283 0.998 -1.847 35 HA PHE 7 HA PHE 7 -7.281 3.740 -2.613 36 1HB PHE 7 1HB PHE 7 -6.600 1.172 -3.850 37 2HB PHE 7 2HB PHE 7 -7.425 2.209 -4.996 38 HD1 PHE 7 HD1 PHE 7 -4.476 1.954 -2.748 39 HD2 PHE 7 HD2 PHE 7 -6.503 4.403 -5.686 40 HE1 PHE 7 HE1 PHE 7 -2.514 3.493 -2.906 41 HE2 PHE 7 HE2 PHE 7 -4.503 5.811 -5.902 42 HZ PHE 7 HZ PHE 7 -2.478 5.356 -4.494 43 H SER 8 H SER 8 -9.787 1.196 -3.146 44 HA SER 8 HA SER 8 -11.413 2.799 -4.848 45 1HB SER 8 1HB SER 8 -12.044 0.453 -3.007 46 2HB SER 8 2HB SER 8 -13.239 1.254 -4.057 47 HG SER 8 HG SER 8 -12.471 -0.179 -5.447 48 H ASP 9 H ASP 9 -10.986 2.828 -1.299 49 HA ASP 9 HA ASP 9 -13.276 4.619 -0.896 50 1HB ASP 9 1HB ASP 9 -12.143 2.869 0.726 51 2HB ASP 9 2HB ASP 9 -11.017 4.164 1.078 52 H GLY 10 H GLY 10 -11.307 5.466 -2.877 53 1HA GLY 10 1HA GLY 10 -10.911 8.225 -2.288 54 2HA GLY 10 2HA GLY 10 -10.156 7.314 -3.596 55 H GLY 11 H GLY 11 -8.831 5.355 -1.639 56 1HA GLY 11 1HA GLY 11 -6.981 5.179 -0.374 57 2HA GLY 11 2HA GLY 11 -7.253 6.829 0.203 58 H ASP 12 H ASP 12 -4.933 7.138 0.114 59 HA ASP 12 HA ASP 12 -3.632 6.977 -2.545 60 1HB ASP 12 1HB ASP 12 -3.676 9.375 -0.752 61 2HB ASP 12 2HB ASP 12 -2.179 8.997 -1.600 62 H CYS 13 H CYS 13 -1.952 8.182 0.285 63 HA CYS 13 HA CYS 13 -0.675 5.504 0.663 64 1HB CYS 13 1HB CYS 13 0.614 8.223 0.264 65 2HB CYS 13 2HB CYS 13 1.464 6.877 0.964 66 H THR 14 H THR 14 -1.086 8.772 2.188 67 HA THR 14 HA THR 14 -0.364 7.867 4.784 68 HB THR 14 HB THR 14 -2.201 10.178 4.013 69 HG1 THR 14 HG1 THR 14 -0.269 11.359 3.953 70 1HG2 THR 14 1HG2 THR 14 -2.127 9.704 6.466 71 2HG2 THR 14 2HG2 THR 14 -0.357 9.812 6.423 72 3HG2 THR 14 3HG2 THR 14 -1.352 11.241 6.066 73 H THR 15 H THR 15 -3.604 8.391 3.278 74 HA THR 15 HA THR 15 -4.957 7.596 5.677 75 HB THR 15 HB THR 15 -5.428 9.315 3.825 76 HG1 THR 15 HG1 THR 15 -7.581 9.250 4.082 77 1HG2 THR 15 1HG2 THR 15 -5.196 7.774 1.883 78 2HG2 THR 15 2HG2 THR 15 -6.756 7.052 2.337 79 3HG2 THR 15 3HG2 THR 15 -6.662 8.754 1.874 80 H CYS 16 H CYS 16 -3.295 5.438 4.567 81 HA CYS 16 HA CYS 16 -5.081 3.124 4.598 82 1HB CYS 16 1HB CYS 16 -3.604 4.008 2.070 83 2HB CYS 16 2HB CYS 16 -4.146 2.360 2.336 84 H PHE 17 H PHE 17 -1.762 4.597 4.443 85 HA PHE 17 HA PHE 17 -0.582 2.178 5.536 86 1HB PHE 17 1HB PHE 17 0.773 4.016 4.499 87 2HB PHE 17 2HB PHE 17 0.289 5.098 5.811 88 HD1 PHE 17 HD1 PHE 17 1.848 5.209 7.692 89 HD2 PHE 17 HD2 PHE 17 1.625 1.680 5.265 90 HE1 PHE 17 HE1 PHE 17 3.605 4.122 9.086 91 HE2 PHE 17 HE2 PHE 17 3.329 0.560 6.705 92 HZ PHE 17 HZ PHE 17 4.317 1.768 8.578 93 H ASN 18 H ASN 18 -2.079 5.166 6.755 94 HA ASN 18 HA ASN 18 -2.904 5.835 8.674 95 1HB ASN 18 1HB ASN 18 -4.388 3.770 7.990 96 2HB ASN 18 2HB ASN 18 -3.517 3.018 9.362 97 1HD2 ASN 18 2HD2 ASN 18 -5.908 2.896 10.268 98 2HD2 ASN 18 1HD2 ASN 18 -6.532 4.370 10.994 99 H ASN 19 H ASN 19 -0.259 5.498 8.886 100 HA ASN 19 HA ASN 19 1.477 4.856 9.900 101 1HB ASN 19 1HB ASN 19 0.663 6.809 11.251 102 2HB ASN 19 2HB ASN 19 0.339 5.647 12.556 103 1HD2 ASN 19 2HD2 ASN 19 2.751 7.625 11.071 104 2HD2 ASN 19 1HD2 ASN 19 4.142 6.937 11.891 105 H GLY 20 H GLY 20 1.059 2.701 9.193 106 1HA GLY 20 1HA GLY 20 2.323 1.130 11.207 107 2HA GLY 20 2HA GLY 20 2.048 0.691 9.535 108 H THR 21 H THR 21 -0.996 1.464 10.855 109 HA THR 21 HA THR 21 -1.616 -1.332 11.489 110 HB THR 21 HB THR 21 -1.933 1.271 12.717 111 HG1 THR 21 HG1 THR 21 -0.820 0.302 14.073 112 1HG2 THR 21 1HG2 THR 21 -4.018 -0.849 13.181 113 2HG2 THR 21 2HG2 THR 21 -3.721 0.569 14.222 114 3HG2 THR 21 3HG2 THR 21 -4.223 0.812 12.544 115 H GLY 22 H GLY 22 -1.922 0.840 8.960 116 1HA GLY 22 1HA GLY 22 -3.486 1.295 7.372 117 2HA GLY 22 2HA GLY 22 -4.769 0.628 8.385 118 HA PRO 23 HA PRO 23 -4.934 -2.995 5.971 119 1HB PRO 23 1HB PRO 23 -5.797 -2.307 3.428 120 2HB PRO 23 2HB PRO 23 -6.846 -2.350 4.873 121 1HG PRO 23 1HG PRO 23 -5.486 0.023 3.592 122 2HG PRO 23 2HG PRO 23 -7.157 -0.096 4.240 123 1HD PRO 23 1HD PRO 23 -5.136 1.064 5.652 124 2HD PRO 23 2HD PRO 23 -6.415 0.156 6.436 125 H CYS 24 H CYS 24 -3.283 -0.339 4.122 126 HA CYS 24 HA CYS 24 -1.359 -2.364 3.125 127 1HB CYS 24 1HB CYS 24 -0.933 0.177 1.903 128 2HB CYS 24 2HB CYS 24 -1.363 -1.378 1.226 129 H ALA 25 H ALA 25 -1.034 -2.116 5.710 130 HA ALA 25 HA ALA 25 1.135 -0.135 6.120 131 1HB ALA 25 1HB ALA 25 -0.011 -2.180 8.028 132 2HB ALA 25 2HB ALA 25 -0.302 -0.419 8.020 133 3HB ALA 25 3HB ALA 25 1.336 -1.067 8.337 134 H ASN 26 H ASN 26 0.583 -3.662 6.128 135 HA ASN 26 HA ASN 26 3.270 -4.397 6.448 136 1HB ASN 26 1HB ASN 26 2.670 -6.567 5.685 137 2HB ASN 26 2HB ASN 26 1.269 -5.956 6.554 138 1HD2 ASN 26 2HD2 ASN 26 -0.688 -5.415 5.273 139 2HD2 ASN 26 1HD2 ASN 26 -0.871 -6.008 3.652 140 H CYS 27 H CYS 27 1.689 -3.207 3.575 141 HA CYS 27 HA CYS 27 3.627 -4.154 1.664 142 1HB CYS 27 1HB CYS 27 1.606 -1.942 1.255 143 2HB CYS 27 2HB CYS 27 2.566 -2.803 0.077 144 H LEU 28 H LEU 28 4.162 -1.697 4.088 145 HA LEU 28 HA LEU 28 6.089 -0.327 2.371 146 1HB LEU 28 1HB LEU 28 4.992 -0.010 5.208 147 2HB LEU 28 2HB LEU 28 6.273 1.009 4.545 148 HG LEU 28 HG LEU 28 4.081 1.986 4.486 149 1HD1 LEU 28 1HD1 LEU 28 5.857 2.510 2.679 150 2HD1 LEU 28 2HD1 LEU 28 4.827 1.504 1.622 151 3HD1 LEU 28 3HD1 LEU 28 4.158 2.975 2.308 152 1HD2 LEU 28 1HD2 LEU 28 2.740 -0.030 3.978 153 2HD2 LEU 28 2HD2 LEU 28 2.310 1.419 3.078 154 3HD2 LEU 28 3HD2 LEU 28 3.248 0.150 2.261 155 H ALA 29 H ALA 29 6.049 -2.125 5.469 156 HA ALA 29 HA ALA 29 8.925 -1.798 5.794 157 1HB ALA 29 1HB ALA 29 8.554 -3.141 7.824 158 2HB ALA 29 2HB ALA 29 7.436 -1.769 7.731 159 3HB ALA 29 3HB ALA 29 6.856 -3.406 7.357 160 H GLY 30 H GLY 30 6.912 -4.792 5.746 161 1HA GLY 30 1HA GLY 30 7.483 -6.901 5.033 162 2HA GLY 30 2HA GLY 30 9.033 -6.315 4.429 163 H TYR 31 H TYR 31 8.889 -4.751 2.488 164 HA TYR 31 HA TYR 31 6.772 -5.751 0.613 165 1HB TYR 31 1HB TYR 31 6.246 -3.681 0.016 166 2HB TYR 31 2HB TYR 31 6.704 -3.283 1.656 167 HD1 TYR 31 HD1 TYR 31 9.802 -3.391 1.080 168 HD2 TYR 31 HD2 TYR 31 6.451 -1.672 -0.894 169 HE1 TYR 31 HE1 TYR 31 11.288 -1.592 0.101 170 HE2 TYR 31 HE2 TYR 31 7.868 0.085 -1.961 171 HH TYR 31 HH TYR 31 11.385 0.357 -1.307 172 HA PRO 32 HA PRO 32 11.123 -5.824 -1.092 173 1HB PRO 32 1HB PRO 32 11.902 -8.469 -1.014 174 2HB PRO 32 2HB PRO 32 12.170 -7.306 0.320 175 1HG PRO 32 1HG PRO 32 10.059 -9.446 0.081 176 2HG PRO 32 2HG PRO 32 10.936 -8.830 1.533 177 1HD PRO 32 1HD PRO 32 8.347 -8.063 0.850 178 2HD PRO 32 2HD PRO 32 9.491 -7.161 1.879 179 H ALA 33 H ALA 33 8.537 -8.143 -1.511 180 HA ALA 33 HA ALA 33 8.859 -8.433 -4.426 181 1HB ALA 33 1HB ALA 33 7.049 -10.059 -4.093 182 2HB ALA 33 2HB ALA 33 8.348 -10.394 -2.928 183 3HB ALA 33 3HB ALA 33 6.863 -9.537 -2.414 184 H GLY 34 H GLY 34 7.672 -5.989 -2.526 185 1HA GLY 34 1HA GLY 34 5.861 -4.576 -2.491 186 2HA GLY 34 2HA GLY 34 4.919 -6.051 -2.659 187 H CYS 35 H CYS 35 7.107 -4.575 -5.121 188 HA CYS 35 HA CYS 35 5.139 -3.423 -6.731 189 1HB CYS 35 1HB CYS 35 7.645 -4.913 -7.669 190 2HB CYS 35 2HB CYS 35 6.678 -3.853 -8.663 191 H SER 36 H SER 36 5.721 -6.827 -6.268 192 HA SER 36 HA SER 36 4.287 -7.531 -8.728 193 1HB SER 36 1HB SER 36 6.569 -8.530 -7.776 194 2HB SER 36 2HB SER 36 5.456 -9.601 -6.907 195 HG SER 36 HG SER 36 5.305 -9.080 -9.714 196 H ASN 37 H ASN 37 3.722 -6.989 -5.387 197 HA ASN 37 HA ASN 37 1.414 -8.840 -5.189 198 1HB ASN 37 1HB ASN 37 2.826 -6.997 -3.262 199 2HB ASN 37 2HB ASN 37 1.101 -6.963 -3.157 200 1HD2 ASN 37 2HD2 ASN 37 -0.119 -8.942 -3.103 201 2HD2 ASN 37 1HD2 ASN 37 0.446 -10.147 -1.977 202 H SER 38 H SER 38 0.427 -8.096 -7.148 203 HA SER 38 HA SER 38 0.010 -5.548 -8.106 204 1HB SER 38 1HB SER 38 -0.600 -7.910 -9.020 205 2HB SER 38 2HB SER 38 -2.164 -7.676 -8.237 206 HG SER 38 HG SER 38 -1.351 -6.834 -10.590 207 H ASP 39 H ASP 39 -1.738 -7.123 -5.415 208 HA ASP 39 HA ASP 39 -3.924 -5.360 -5.048 209 1HB ASP 39 1HB ASP 39 -3.720 -7.488 -3.899 210 2HB ASP 39 2HB ASP 39 -2.251 -6.957 -3.079 211 H CYS 40 H CYS 40 -0.529 -5.023 -4.094 212 HA CYS 40 HA CYS 40 -1.054 -2.420 -2.747 213 1HB CYS 40 1HB CYS 40 0.911 -4.664 -2.208 214 2HB CYS 40 2HB CYS 40 1.361 -3.008 -1.810 215 H THR 41 H THR 41 0.380 -3.932 -5.543 216 HA THR 41 HA THR 41 2.578 -2.446 -5.973 217 HB THR 41 HB THR 41 0.474 -3.496 -7.875 218 HG1 THR 41 HG1 THR 41 2.690 -4.833 -7.987 219 1HG2 THR 41 1HG2 THR 41 3.308 -2.692 -8.567 220 2HG2 THR 41 2HG2 THR 41 2.142 -3.617 -9.559 221 3HG2 THR 41 3HG2 THR 41 1.823 -1.913 -9.166 222 H ALA 42 H ALA 42 -0.794 -1.285 -6.733 223 HA ALA 42 HA ALA 42 0.271 0.964 -8.276 224 1HB ALA 42 1HB ALA 42 -1.924 0.103 -8.890 225 2HB ALA 42 2HB ALA 42 -2.092 1.760 -8.266 226 3HB ALA 42 3HB ALA 42 -2.531 0.386 -7.248 227 H PHE 43 H PHE 43 -0.997 0.420 -5.005 228 HA PHE 43 HA PHE 43 -0.776 3.068 -3.970 229 1HB PHE 43 1HB PHE 43 -1.859 1.238 -2.742 230 2HB PHE 43 2HB PHE 43 -0.373 0.309 -2.769 231 HD1 PHE 43 HD1 PHE 43 -2.232 2.776 -0.822 232 HD2 PHE 43 HD2 PHE 43 1.540 0.818 -1.407 233 HE1 PHE 43 HE1 PHE 43 -1.525 3.443 1.448 234 HE2 PHE 43 HE2 PHE 43 2.284 1.552 0.811 235 HZ PHE 43 HZ PHE 43 0.746 2.832 2.282 236 H LEU 44 H LEU 44 1.662 0.388 -3.818 237 HA LEU 44 HA LEU 44 3.654 2.120 -2.941 238 1HB LEU 44 1HB LEU 44 3.943 -0.441 -4.532 239 2HB LEU 44 2HB LEU 44 5.228 0.347 -3.629 240 HG LEU 44 HG LEU 44 2.687 -0.778 -2.404 241 1HD1 LEU 44 1HD1 LEU 44 5.430 -1.995 -2.763 242 2HD1 LEU 44 2HD1 LEU 44 4.173 -2.647 -1.671 243 3HD1 LEU 44 3HD1 LEU 44 3.910 -2.555 -3.434 244 1HD2 LEU 44 1HD2 LEU 44 3.807 1.119 -1.135 245 2HD2 LEU 44 2HD2 LEU 44 3.529 -0.378 -0.304 246 3HD2 LEU 44 3HD2 LEU 44 5.162 0.010 -0.901 247 H SER 45 H SER 45 2.755 1.408 -6.313 248 HA SER 45 HA SER 45 4.974 2.729 -7.478 249 1HB SER 45 1HB SER 45 2.526 1.516 -8.427 250 2HB SER 45 2HB SER 45 2.757 3.039 -9.229 251 HG SER 45 HG SER 45 4.926 2.361 -9.683 252 H GLN 46 H GLN 46 2.320 4.039 -5.697 253 HA GLN 46 HA GLN 46 3.067 6.778 -6.544 254 1HB GLN 46 1HB GLN 46 0.820 5.772 -4.756 255 2HB GLN 46 2HB GLN 46 1.173 7.460 -5.110 256 1HG GLN 46 1HG GLN 46 1.083 6.695 -7.634 257 2HG GLN 46 2HG GLN 46 0.207 5.307 -7.003 258 1HE2 GLN 46 2HE2 GLN 46 -2.004 5.591 -6.693 259 2HE2 GLN 46 1HE2 GLN 46 -2.801 7.155 -6.652 260 H CYS 47 H CYS 47 2.694 5.026 -3.390 261 HA CYS 47 HA CYS 47 4.054 6.956 -1.973 262 1HB CYS 47 1HB CYS 47 4.257 4.126 -0.939 263 2HB CYS 47 2HB CYS 47 3.895 5.649 -0.117 264 H TYR 48 H TYR 48 5.528 4.186 -3.592 265 HA TYR 48 HA TYR 48 8.257 4.984 -2.687 266 1HB TYR 48 1HB TYR 48 7.195 2.392 -3.681 267 2HB TYR 48 2HB TYR 48 8.896 2.812 -3.770 268 HD1 TYR 48 HD1 TYR 48 6.155 1.964 -1.574 269 HD2 TYR 48 HD2 TYR 48 10.200 3.424 -1.713 270 HE1 TYR 48 HE1 TYR 48 6.539 1.164 0.707 271 HE2 TYR 48 HE2 TYR 48 10.483 2.922 0.691 272 HH TYR 48 HH TYR 48 9.411 2.236 2.616 273 H GLY 49 H GLY 49 6.078 4.856 -5.425 274 1HA GLY 49 1HA GLY 49 8.241 5.637 -7.327 275 2HA GLY 49 2HA GLY 49 6.517 5.841 -7.614 276 H GLY 50 H GLY 50 7.717 2.941 -6.046 277 1HA GLY 50 1HA GLY 50 6.942 1.246 -8.359 278 2HA GLY 50 2HA GLY 50 6.933 0.783 -6.652 279 H CYS 51 H CYS 51 8.599 -0.193 -5.917 280 HA CYS 51 HA CYS 51 11.029 0.316 -5.453 281 1HB CYS 51 1HB CYS 51 11.341 -2.031 -4.961 282 2HB CYS 51 2HB CYS 51 9.722 -1.507 -4.563 No H/Q in entry = 282 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -8.902 -6.032 -3.403 2 H2 GLY 1 H2 GLY 1 -7.263 -5.832 -3.403 3 H3 GLY 1 H3 GLY 1 -7.901 -7.297 -3.758 4 1HA GLY 1 1HA GLY 1 -6.967 -7.197 -1.553 5 2HA GLY 1 2HA GLY 1 -8.704 -7.584 -1.537 6 H GLU 2 H GLU 2 -7.337 -6.472 0.685 7 HA GLU 2 HA GLU 2 -9.146 -4.415 1.366 8 1HB GLU 2 1HB GLU 2 -7.784 -4.112 3.400 9 2HB GLU 2 2HB GLU 2 -8.353 -5.765 3.094 10 1HG GLU 2 1HG GLU 2 -6.002 -6.021 1.966 11 2HG GLU 2 2HG GLU 2 -5.545 -4.656 2.972 12 H CYS 3 H CYS 3 -5.884 -4.256 0.009 13 HA CYS 3 HA CYS 3 -5.647 -1.410 0.619 14 1HB CYS 3 1HB CYS 3 -3.694 -2.790 0.718 15 2HB CYS 3 2HB CYS 3 -3.902 -3.328 -0.946 16 H GLU 4 H GLU 4 -6.329 -3.450 -2.315 17 HA GLU 4 HA GLU 4 -6.673 -1.248 -4.124 18 1HB GLU 4 1HB GLU 4 -7.890 -4.015 -4.010 19 2HB GLU 4 2HB GLU 4 -8.228 -2.887 -5.324 20 1HG GLU 4 1HG GLU 4 -5.959 -2.794 -6.037 21 2HG GLU 4 2HG GLU 4 -5.369 -3.572 -4.587 22 H GLN 5 H GLN 5 -8.946 -2.770 -1.794 23 HA GLN 5 HA GLN 5 -11.192 -1.168 -2.478 24 1HB GLN 5 1HB GLN 5 -11.213 -3.248 -1.078 25 2HB GLN 5 2HB GLN 5 -10.491 -2.357 0.250 26 1HG GLN 5 1HG GLN 5 -13.152 -1.629 -1.072 27 2HG GLN 5 2HG GLN 5 -13.008 -2.666 0.345 28 1HE2 GLN 5 2HE2 GLN 5 -13.895 0.430 -0.383 29 2HE2 GLN 5 1HE2 GLN 5 -13.344 1.198 1.072 30 H CYS 6 H CYS 6 -8.605 -0.610 -0.005 31 HA CYS 6 HA CYS 6 -9.598 1.839 0.937 32 1HB CYS 6 1HB CYS 6 -7.684 0.471 1.830 33 2HB CYS 6 2HB CYS 6 -6.644 1.149 0.575 34 H PHE 7 H PHE 7 -7.397 1.255 -1.847 35 HA PHE 7 HA PHE 7 -7.165 3.977 -2.661 36 1HB PHE 7 1HB PHE 7 -6.560 1.364 -3.799 37 2HB PHE 7 2HB PHE 7 -7.171 2.459 -5.018 38 HD1 PHE 7 HD1 PHE 7 -4.546 2.142 -2.366 39 HD2 PHE 7 HD2 PHE 7 -5.991 4.437 -5.711 40 HE1 PHE 7 HE1 PHE 7 -2.411 3.390 -2.470 41 HE2 PHE 7 HE2 PHE 7 -3.875 5.741 -5.732 42 HZ PHE 7 HZ PHE 7 -2.052 5.151 -4.138 43 H SER 8 H SER 8 -9.584 1.514 -3.473 44 HA SER 8 HA SER 8 -11.095 3.114 -5.296 45 1HB SER 8 1HB SER 8 -12.020 0.752 -3.614 46 2HB SER 8 2HB SER 8 -12.740 1.365 -5.110 47 HG SER 8 HG SER 8 -10.202 0.117 -4.801 48 H ASP 9 H ASP 9 -10.792 3.493 -1.889 49 HA ASP 9 HA ASP 9 -13.297 5.106 -1.852 50 1HB ASP 9 1HB ASP 9 -12.820 3.225 -0.113 51 2HB ASP 9 2HB ASP 9 -11.618 4.320 0.546 52 H GLY 10 H GLY 10 -10.861 5.864 -3.251 53 1HA GLY 10 1HA GLY 10 -10.533 8.594 -2.359 54 2HA GLY 10 2HA GLY 10 -9.641 7.766 -3.628 55 H GLY 11 H GLY 11 -8.548 5.635 -2.248 56 1HA GLY 11 1HA GLY 11 -6.705 5.094 -0.965 57 2HA GLY 11 2HA GLY 11 -7.049 6.474 0.060 58 H ASP 12 H ASP 12 -4.831 7.146 0.103 59 HA ASP 12 HA ASP 12 -3.426 7.201 -2.508 60 1HB ASP 12 1HB ASP 12 -1.861 9.024 -1.489 61 2HB ASP 12 2HB ASP 12 -3.374 9.528 -2.206 62 H CYS 13 H CYS 13 -1.992 7.966 0.602 63 HA CYS 13 HA CYS 13 -1.041 5.176 0.941 64 1HB CYS 13 1HB CYS 13 0.760 7.611 1.047 65 2HB CYS 13 2HB CYS 13 1.238 5.931 1.215 66 H THR 14 H THR 14 -0.949 8.552 2.145 67 HA THR 14 HA THR 14 -0.682 7.731 4.900 68 HB THR 14 HB THR 14 -1.259 10.434 3.626 69 HG1 THR 14 HG1 THR 14 0.643 9.789 2.791 70 1HG2 THR 14 1HG2 THR 14 -0.011 9.612 6.286 71 2HG2 THR 14 2HG2 THR 14 -0.043 11.273 5.660 72 3HG2 THR 14 3HG2 THR 14 -1.557 10.452 6.070 73 H THR 15 H THR 15 -3.447 8.368 2.785 74 HA THR 15 HA THR 15 -5.221 7.971 5.174 75 HB THR 15 HB THR 15 -5.591 9.787 3.474 76 HG1 THR 15 HG1 THR 15 -7.337 8.656 4.738 77 1HG2 THR 15 1HG2 THR 15 -5.029 8.421 1.455 78 2HG2 THR 15 2HG2 THR 15 -6.608 7.646 1.648 79 3HG2 THR 15 3HG2 THR 15 -6.507 9.389 1.338 80 H CYS 16 H CYS 16 -3.341 5.857 4.217 81 HA CYS 16 HA CYS 16 -5.184 3.606 4.274 82 1HB CYS 16 1HB CYS 16 -3.434 4.204 1.842 83 2HB CYS 16 2HB CYS 16 -4.008 2.582 2.228 84 H PHE 17 H PHE 17 -2.788 4.875 5.880 85 HA PHE 17 HA PHE 17 -1.129 2.405 5.903 86 1HB PHE 17 1HB PHE 17 0.175 4.163 4.963 87 2HB PHE 17 2HB PHE 17 -0.050 5.131 6.402 88 HD1 PHE 17 HD1 PHE 17 0.842 1.506 5.753 89 HD2 PHE 17 HD2 PHE 17 1.911 5.197 7.716 90 HE1 PHE 17 HE1 PHE 17 2.807 0.364 6.808 91 HE2 PHE 17 HE2 PHE 17 3.879 4.078 8.699 92 HZ PHE 17 HZ PHE 17 4.325 1.656 8.241 93 H ASN 18 H ASN 18 -2.738 4.853 7.869 94 HA ASN 18 HA ASN 18 -3.310 4.964 10.041 95 1HB ASN 18 1HB ASN 18 -4.166 2.518 9.346 96 2HB ASN 18 2HB ASN 18 -2.889 2.056 10.477 97 1HD2 ASN 18 2HD2 ASN 18 -3.183 2.992 12.861 98 2HD2 ASN 18 1HD2 ASN 18 -4.824 3.317 13.324 99 H ASN 19 H ASN 19 -0.448 5.006 9.199 100 HA ASN 19 HA ASN 19 1.610 4.865 9.867 101 1HB ASN 19 1HB ASN 19 0.788 6.488 11.437 102 2HB ASN 19 2HB ASN 19 0.599 5.226 12.677 103 1HD2 ASN 19 2HD2 ASN 19 2.332 5.205 14.120 104 2HD2 ASN 19 1HD2 ASN 19 3.974 5.629 13.704 105 H GLY 20 H GLY 20 0.349 2.272 9.530 106 1HA GLY 20 1HA GLY 20 2.449 0.726 10.863 107 2HA GLY 20 2HA GLY 20 1.857 0.491 9.244 108 H THR 21 H THR 21 -1.036 0.706 10.066 109 HA THR 21 HA THR 21 -1.238 -2.130 10.613 110 HB THR 21 HB THR 21 -1.059 -1.079 12.849 111 HG1 THR 21 HG1 THR 21 -2.206 -2.613 13.635 112 1HG2 THR 21 1HG2 THR 21 -2.531 0.810 12.303 113 2HG2 THR 21 2HG2 THR 21 -3.907 -0.301 12.202 114 3HG2 THR 21 3HG2 THR 21 -3.048 -0.068 13.754 115 H GLY 22 H GLY 22 -2.125 0.257 8.636 116 1HA GLY 22 1HA GLY 22 -3.918 0.747 7.347 117 2HA GLY 22 2HA GLY 22 -4.988 -0.242 8.345 118 HA PRO 23 HA PRO 23 -4.985 -3.221 5.210 119 1HB PRO 23 1HB PRO 23 -5.584 -2.216 2.741 120 2HB PRO 23 2HB PRO 23 -6.724 -2.182 4.125 121 1HG PRO 23 1HG PRO 23 -5.022 0.071 3.043 122 2HG PRO 23 2HG PRO 23 -6.695 0.106 3.684 123 1HD PRO 23 1HD PRO 23 -4.458 0.802 5.136 124 2HD PRO 23 2HD PRO 23 -5.995 0.312 5.841 125 H CYS 24 H CYS 24 -3.154 -0.668 3.474 126 HA CYS 24 HA CYS 24 -1.159 -2.633 2.460 127 1HB CYS 24 1HB CYS 24 -2.224 -0.001 1.602 128 2HB CYS 24 2HB CYS 24 -0.472 -0.021 1.666 129 H ALA 25 H ALA 25 -0.410 -3.029 4.771 130 HA ALA 25 HA ALA 25 1.203 -0.716 5.789 131 1HB ALA 25 1HB ALA 25 0.873 -1.679 8.073 132 2HB ALA 25 2HB ALA 25 -0.432 -2.676 7.393 133 3HB ALA 25 3HB ALA 25 -0.536 -0.899 7.352 134 H ASN 26 H ASN 26 1.008 -4.328 5.715 135 HA ASN 26 HA ASN 26 3.806 -4.510 6.457 136 1HB ASN 26 1HB ASN 26 1.921 -6.515 5.088 137 2HB ASN 26 2HB ASN 26 3.602 -6.865 5.484 138 1HD2 ASN 26 2HD2 ASN 26 3.575 -8.303 7.192 139 2HD2 ASN 26 1HD2 ASN 26 2.644 -8.026 8.651 140 H CYS 27 H CYS 27 2.063 -3.856 3.542 141 HA CYS 27 HA CYS 27 4.085 -4.431 1.624 142 1HB CYS 27 1HB CYS 27 1.865 -2.375 1.320 143 2HB CYS 27 2HB CYS 27 2.802 -3.211 0.101 144 H LEU 28 H LEU 28 4.250 -1.973 4.110 145 HA LEU 28 HA LEU 28 5.935 -0.252 2.477 146 1HB LEU 28 1HB LEU 28 4.763 -0.227 5.292 147 2HB LEU 28 2HB LEU 28 5.935 0.971 4.762 148 HG LEU 28 HG LEU 28 3.584 1.636 4.617 149 1HD1 LEU 28 1HD1 LEU 28 5.540 2.505 3.091 150 2HD1 LEU 28 2HD1 LEU 28 4.703 1.573 1.843 151 3HD1 LEU 28 3HD1 LEU 28 3.871 2.925 2.630 152 1HD2 LEU 28 1HD2 LEU 28 2.629 -0.501 3.762 153 2HD2 LEU 28 2HD2 LEU 28 2.084 0.957 2.954 154 3HD2 LEU 28 3HD2 LEU 28 3.291 -0.065 2.148 155 H ALA 29 H ALA 29 6.247 -1.937 5.615 156 HA ALA 29 HA ALA 29 8.836 -0.978 6.130 157 1HB ALA 29 1HB ALA 29 8.842 -2.692 7.941 158 2HB ALA 29 2HB ALA 29 7.361 -3.410 7.264 159 3HB ALA 29 3HB ALA 29 7.342 -1.747 7.897 160 H GLY 30 H GLY 30 8.091 -4.439 5.620 161 1HA GLY 30 1HA GLY 30 9.773 -6.059 5.079 162 2HA GLY 30 2HA GLY 30 10.745 -4.792 4.313 163 H TYR 31 H TYR 31 9.678 -3.617 2.404 164 HA TYR 31 HA TYR 31 7.741 -5.403 0.976 165 1HB TYR 31 1HB TYR 31 6.940 -3.479 0.080 166 2HB TYR 31 2HB TYR 31 7.295 -2.915 1.709 167 HD1 TYR 31 HD1 TYR 31 6.824 -1.341 -0.740 168 HD2 TYR 31 HD2 TYR 31 10.504 -2.774 0.853 169 HE1 TYR 31 HE1 TYR 31 7.978 0.543 -1.872 170 HE2 TYR 31 HE2 TYR 31 11.695 -0.839 -0.113 171 HH TYR 31 HH TYR 31 10.096 1.478 -2.282 172 HA PRO 32 HA PRO 32 11.477 -4.962 -1.752 173 1HB PRO 32 1HB PRO 32 12.899 -7.327 -1.681 174 2HB PRO 32 2HB PRO 32 13.119 -5.993 -0.507 175 1HG PRO 32 1HG PRO 32 11.412 -8.473 -0.195 176 2HG PRO 32 2HG PRO 32 12.583 -7.782 0.969 177 1HD PRO 32 1HD PRO 32 9.891 -7.281 1.140 178 2HD PRO 32 2HD PRO 32 11.129 -6.053 1.564 179 H ALA 33 H ALA 33 8.908 -7.072 -1.522 180 HA ALA 33 HA ALA 33 8.953 -7.912 -4.377 181 1HB ALA 33 1HB ALA 33 7.602 -9.853 -3.612 182 2HB ALA 33 2HB ALA 33 9.201 -9.840 -2.850 183 3HB ALA 33 3HB ALA 33 7.777 -9.288 -1.936 184 H GLY 34 H GLY 34 7.595 -5.612 -2.323 185 1HA GLY 34 1HA GLY 34 5.501 -4.650 -2.124 186 2HA GLY 34 2HA GLY 34 4.844 -6.258 -2.476 187 H CYS 35 H CYS 35 6.933 -4.652 -4.702 188 HA CYS 35 HA CYS 35 5.207 -3.432 -6.523 189 1HB CYS 35 1HB CYS 35 7.672 -5.005 -7.253 190 2HB CYS 35 2HB CYS 35 7.155 -3.450 -7.918 191 H SER 36 H SER 36 5.655 -6.840 -5.880 192 HA SER 36 HA SER 36 4.429 -7.673 -8.425 193 1HB SER 36 1HB SER 36 6.298 -8.907 -6.390 194 2HB SER 36 2HB SER 36 5.295 -9.935 -7.444 195 HG SER 36 HG SER 36 7.189 -7.941 -8.223 196 H ASN 37 H ASN 37 3.704 -7.024 -5.141 197 HA ASN 37 HA ASN 37 1.571 -9.049 -4.842 198 1HB ASN 37 1HB ASN 37 3.034 -7.568 -2.913 199 2HB ASN 37 2HB ASN 37 1.714 -6.594 -3.097 200 1HD2 ASN 37 2HD2 ASN 37 -0.469 -7.344 -2.627 201 2HD2 ASN 37 1HD2 ASN 37 -0.670 -8.729 -1.582 202 H SER 38 H SER 38 0.256 -8.453 -6.828 203 HA SER 38 HA SER 38 -0.025 -5.835 -7.738 204 1HB SER 38 1HB SER 38 -2.016 -7.989 -8.009 205 2HB SER 38 2HB SER 38 -1.830 -6.565 -9.059 206 HG SER 38 HG SER 38 0.474 -7.351 -9.180 207 H ASP 39 H ASP 39 -2.002 -7.365 -5.154 208 HA ASP 39 HA ASP 39 -3.889 -5.248 -4.863 209 1HB ASP 39 1HB ASP 39 -4.113 -7.485 -3.889 210 2HB ASP 39 2HB ASP 39 -2.771 -7.153 -2.803 211 H CYS 40 H CYS 40 -0.499 -5.304 -3.965 212 HA CYS 40 HA CYS 40 -0.826 -2.780 -2.428 213 1HB CYS 40 1HB CYS 40 1.371 -4.907 -2.204 214 2HB CYS 40 2HB CYS 40 1.494 -3.273 -1.598 215 H THR 41 H THR 41 0.016 -3.946 -5.476 216 HA THR 41 HA THR 41 2.437 -2.528 -5.898 217 HB THR 41 HB THR 41 0.307 -3.760 -7.655 218 HG1 THR 41 HG1 THR 41 1.888 -4.901 -6.192 219 1HG2 THR 41 1HG2 THR 41 1.500 -2.077 -9.047 220 2HG2 THR 41 2HG2 THR 41 3.019 -2.944 -8.700 221 3HG2 THR 41 3HG2 THR 41 1.672 -3.782 -9.530 222 H ALA 42 H ALA 42 -1.019 -1.659 -6.614 223 HA ALA 42 HA ALA 42 -0.340 0.658 -8.165 224 1HB ALA 42 1HB ALA 42 -2.563 -0.535 -8.228 225 2HB ALA 42 2HB ALA 42 -2.909 0.123 -6.617 226 3HB ALA 42 3HB ALA 42 -2.666 1.222 -7.983 227 H PHE 43 H PHE 43 -1.012 0.081 -4.753 228 HA PHE 43 HA PHE 43 -0.792 2.758 -3.776 229 1HB PHE 43 1HB PHE 43 -1.767 0.927 -2.506 230 2HB PHE 43 2HB PHE 43 -0.246 0.033 -2.562 231 HD1 PHE 43 HD1 PHE 43 -2.222 2.327 -0.552 232 HD2 PHE 43 HD2 PHE 43 1.741 0.857 -1.339 233 HE1 PHE 43 HE1 PHE 43 -1.466 3.113 1.673 234 HE2 PHE 43 HE2 PHE 43 2.526 1.785 0.808 235 HZ PHE 43 HZ PHE 43 0.924 2.902 2.323 236 H LEU 44 H LEU 44 1.790 0.155 -3.656 237 HA LEU 44 HA LEU 44 3.681 2.020 -2.896 238 1HB LEU 44 1HB LEU 44 4.146 -0.571 -4.416 239 2HB LEU 44 2HB LEU 44 5.364 0.323 -3.556 240 HG LEU 44 HG LEU 44 2.902 -0.889 -2.225 241 1HD1 LEU 44 1HD1 LEU 44 5.726 -1.926 -2.541 242 2HD1 LEU 44 2HD1 LEU 44 4.509 -2.607 -1.423 243 3HD1 LEU 44 3HD1 LEU 44 4.226 -2.618 -3.177 244 1HD2 LEU 44 1HD2 LEU 44 3.913 1.110 -1.035 245 2HD2 LEU 44 2HD2 LEU 44 3.843 -0.392 -0.149 246 3HD2 LEU 44 3HD2 LEU 44 5.373 0.144 -0.879 247 H SER 45 H SER 45 2.757 1.257 -6.163 248 HA SER 45 HA SER 45 4.740 2.451 -7.735 249 1HB SER 45 1HB SER 45 2.703 1.200 -8.434 250 2HB SER 45 2HB SER 45 1.716 2.588 -8.106 251 HG SER 45 HG SER 45 3.853 2.379 -9.994 252 H GLN 46 H GLN 46 2.171 3.930 -5.884 253 HA GLN 46 HA GLN 46 2.981 6.692 -6.578 254 1HB GLN 46 1HB GLN 46 0.714 5.600 -4.839 255 2HB GLN 46 2HB GLN 46 0.988 7.299 -5.231 256 1HG GLN 46 1HG GLN 46 0.849 6.699 -7.687 257 2HG GLN 46 2HG GLN 46 0.461 5.045 -7.227 258 1HE2 GLN 46 2HE2 GLN 46 -1.359 5.383 -8.514 259 2HE2 GLN 46 1HE2 GLN 46 -2.713 6.410 -8.038 260 H CYS 47 H CYS 47 2.744 4.667 -3.619 261 HA CYS 47 HA CYS 47 3.655 6.729 -1.887 262 1HB CYS 47 1HB CYS 47 3.739 3.755 -1.258 263 2HB CYS 47 2HB CYS 47 3.531 5.121 -0.155 264 H TYR 48 H TYR 48 5.493 4.597 -3.843 265 HA TYR 48 HA TYR 48 8.044 5.464 -2.550 266 1HB TYR 48 1HB TYR 48 7.350 2.719 -3.478 267 2HB TYR 48 2HB TYR 48 8.998 3.321 -3.353 268 HD1 TYR 48 HD1 TYR 48 9.967 4.049 -1.159 269 HD2 TYR 48 HD2 TYR 48 6.065 2.262 -1.504 270 HE1 TYR 48 HE1 TYR 48 10.114 3.285 1.190 271 HE2 TYR 48 HE2 TYR 48 6.312 1.330 0.753 272 HH TYR 48 HH TYR 48 8.308 0.887 2.514 273 H GLY 49 H GLY 49 6.440 4.091 -5.460 274 1HA GLY 49 1HA GLY 49 8.814 4.790 -7.076 275 2HA GLY 49 2HA GLY 49 7.223 5.282 -7.670 276 H GLY 50 H GLY 50 7.151 2.367 -5.801 277 1HA GLY 50 1HA GLY 50 6.138 0.858 -8.003 278 2HA GLY 50 2HA GLY 50 6.436 0.285 -6.353 279 H CYS 51 H CYS 51 8.834 0.067 -5.816 280 HA CYS 51 HA CYS 51 10.931 -0.644 -6.126 281 1HB CYS 51 1HB CYS 51 9.806 -2.088 -8.544 282 2HB CYS 51 2HB CYS 51 11.490 -2.131 -8.087 No H/Q in entry = 282 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -7.986 -5.994 -2.874 2 H2 GLY 1 H2 GLY 1 -8.020 -7.465 -3.589 3 H3 GLY 1 H3 GLY 1 -9.323 -6.947 -2.706 4 1HA GLY 1 1HA GLY 1 -6.650 -7.577 -1.673 5 2HA GLY 1 2HA GLY 1 -8.131 -8.537 -1.427 6 H GLU 2 H GLU 2 -6.186 -6.107 -0.147 7 HA GLU 2 HA GLU 2 -8.393 -4.925 1.469 8 1HB GLU 2 1HB GLU 2 -6.888 -4.715 3.325 9 2HB GLU 2 2HB GLU 2 -7.077 -6.408 2.832 10 1HG GLU 2 1HG GLU 2 -4.905 -5.710 1.388 11 2HG GLU 2 2HG GLU 2 -4.670 -4.624 2.750 12 H CYS 3 H CYS 3 -5.084 -4.319 0.107 13 HA CYS 3 HA CYS 3 -5.161 -1.574 0.710 14 1HB CYS 3 1HB CYS 3 -3.129 -2.817 0.148 15 2HB CYS 3 2HB CYS 3 -3.679 -2.933 -1.525 16 H GLU 4 H GLU 4 -6.100 -3.397 -2.247 17 HA GLU 4 HA GLU 4 -6.910 -1.211 -3.844 18 1HB GLU 4 1HB GLU 4 -7.911 -4.084 -3.760 19 2HB GLU 4 2HB GLU 4 -8.348 -2.905 -5.007 20 1HG GLU 4 1HG GLU 4 -5.843 -2.620 -5.458 21 2HG GLU 4 2HG GLU 4 -5.603 -4.043 -4.430 22 H GLN 5 H GLN 5 -8.635 -2.674 -1.093 23 HA GLN 5 HA GLN 5 -11.228 -1.554 -1.823 24 1HB GLN 5 1HB GLN 5 -10.956 -3.515 -0.280 25 2HB GLN 5 2HB GLN 5 -10.163 -2.486 0.890 26 1HG GLN 5 1HG GLN 5 -12.959 -1.900 -0.154 27 2HG GLN 5 2HG GLN 5 -12.663 -2.936 1.233 28 1HE2 GLN 5 2HE2 GLN 5 -14.140 -0.368 1.180 29 2HE2 GLN 5 1HE2 GLN 5 -13.293 0.652 2.348 30 H CYS 6 H CYS 6 -8.465 -0.685 0.260 31 HA CYS 6 HA CYS 6 -9.615 1.721 1.239 32 1HB CYS 6 1HB CYS 6 -7.718 0.418 2.153 33 2HB CYS 6 2HB CYS 6 -6.678 0.986 0.854 34 H PHE 7 H PHE 7 -7.522 1.064 -1.575 35 HA PHE 7 HA PHE 7 -7.384 3.734 -2.586 36 1HB PHE 7 1HB PHE 7 -6.798 1.035 -3.575 37 2HB PHE 7 2HB PHE 7 -7.527 2.033 -4.818 38 HD1 PHE 7 HD1 PHE 7 -6.227 3.650 -5.995 39 HD2 PHE 7 HD2 PHE 7 -4.817 2.152 -2.197 40 HE1 PHE 7 HE1 PHE 7 -4.129 4.866 -6.312 41 HE2 PHE 7 HE2 PHE 7 -2.685 3.352 -2.558 42 HZ PHE 7 HZ PHE 7 -2.321 4.724 -4.561 43 H SER 8 H SER 8 -9.853 1.142 -3.068 44 HA SER 8 HA SER 8 -11.544 2.425 -4.825 45 1HB SER 8 1HB SER 8 -11.664 0.078 -3.547 46 2HB SER 8 2HB SER 8 -12.772 0.967 -2.496 47 HG SER 8 HG SER 8 -13.798 -0.124 -4.149 48 H ASP 9 H ASP 9 -11.400 2.815 -1.234 49 HA ASP 9 HA ASP 9 -13.459 4.908 -1.389 50 1HB ASP 9 1HB ASP 9 -12.983 2.902 0.422 51 2HB ASP 9 2HB ASP 9 -12.224 4.249 1.233 52 H GLY 10 H GLY 10 -10.908 5.547 -2.630 53 1HA GLY 10 1HA GLY 10 -10.725 8.228 -1.383 54 2HA GLY 10 2HA GLY 10 -10.315 7.784 -3.031 55 H GLY 11 H GLY 11 -8.736 5.416 -1.460 56 1HA GLY 11 1HA GLY 11 -6.548 5.021 -0.975 57 2HA GLY 11 2HA GLY 11 -6.644 6.477 0.000 58 H ASP 12 H ASP 12 -4.652 7.340 -0.394 59 HA ASP 12 HA ASP 12 -3.442 6.858 -3.050 60 1HB ASP 12 1HB ASP 12 -3.153 9.347 -1.387 61 2HB ASP 12 2HB ASP 12 -1.746 8.717 -2.225 62 H CYS 13 H CYS 13 -1.713 8.186 -0.240 63 HA CYS 13 HA CYS 13 -0.713 5.452 0.402 64 1HB CYS 13 1HB CYS 13 0.715 8.142 0.364 65 2HB CYS 13 2HB CYS 13 1.399 6.649 1.002 66 H THR 14 H THR 14 -0.996 8.732 1.903 67 HA THR 14 HA THR 14 -0.579 7.618 4.499 68 HB THR 14 HB THR 14 -1.574 10.335 3.571 69 HG1 THR 14 HG1 THR 14 0.831 10.386 4.587 70 1HG2 THR 14 1HG2 THR 14 -0.571 9.480 6.330 71 2HG2 THR 14 2HG2 THR 14 -0.858 11.152 5.790 72 3HG2 THR 14 3HG2 THR 14 -2.208 10.033 5.931 73 H THR 15 H THR 15 -3.649 8.322 2.712 74 HA THR 15 HA THR 15 -5.191 7.703 5.125 75 HB THR 15 HB THR 15 -5.559 9.493 3.277 76 HG1 THR 15 HG1 THR 15 -7.907 9.167 3.476 77 1HG2 THR 15 1HG2 THR 15 -5.597 8.101 1.303 78 2HG2 THR 15 2HG2 THR 15 -7.121 7.340 1.887 79 3HG2 THR 15 3HG2 THR 15 -7.056 9.058 1.514 80 H CYS 16 H CYS 16 -3.422 5.637 4.220 81 HA CYS 16 HA CYS 16 -5.224 3.344 4.397 82 1HB CYS 16 1HB CYS 16 -3.322 3.588 2.024 83 2HB CYS 16 2HB CYS 16 -4.102 2.105 2.557 84 H PHE 17 H PHE 17 -1.941 4.826 4.515 85 HA PHE 17 HA PHE 17 -0.795 2.388 5.468 86 1HB PHE 17 1HB PHE 17 0.537 4.320 4.614 87 2HB PHE 17 2HB PHE 17 0.126 5.222 6.073 88 HD1 PHE 17 HD1 PHE 17 2.075 5.327 7.475 89 HD2 PHE 17 HD2 PHE 17 1.198 1.675 5.392 90 HE1 PHE 17 HE1 PHE 17 3.936 4.195 8.668 91 HE2 PHE 17 HE2 PHE 17 3.011 0.523 6.660 92 HZ PHE 17 HZ PHE 17 4.411 1.786 8.209 93 H ASN 18 H ASN 18 -2.761 4.852 7.040 94 HA ASN 18 HA ASN 18 -3.302 5.351 9.190 95 1HB ASN 18 1HB ASN 18 -4.540 3.153 8.634 96 2HB ASN 18 2HB ASN 18 -3.233 2.409 9.601 97 1HD2 ASN 18 2HD2 ASN 18 -4.988 1.580 11.029 98 2HD2 ASN 18 1HD2 ASN 18 -5.506 2.682 12.290 99 H ASN 19 H ASN 19 -0.427 5.053 8.709 100 HA ASN 19 HA ASN 19 1.546 4.793 9.671 101 1HB ASN 19 1HB ASN 19 0.755 6.620 11.045 102 2HB ASN 19 2HB ASN 19 0.083 5.467 12.190 103 1HD2 ASN 19 2HD2 ASN 19 1.331 5.371 13.983 104 2HD2 ASN 19 1HD2 ASN 19 3.059 5.363 14.056 105 H GLY 20 H GLY 20 0.990 2.469 8.915 106 1HA GLY 20 1HA GLY 20 2.487 0.909 10.801 107 2HA GLY 20 2HA GLY 20 1.978 0.429 9.197 108 H THR 21 H THR 21 -0.921 1.124 10.048 109 HA THR 21 HA THR 21 -1.596 -1.568 10.820 110 HB THR 21 HB THR 21 -1.136 -0.913 12.976 111 HG1 THR 21 HG1 THR 21 -3.707 -1.381 12.210 112 1HG2 THR 21 1HG2 THR 21 -2.940 1.430 12.442 113 2HG2 THR 21 2HG2 THR 21 -2.247 1.001 14.043 114 3HG2 THR 21 3HG2 THR 21 -1.191 1.446 12.696 115 H GLY 22 H GLY 22 -1.963 -0.166 8.442 116 1HA GLY 22 1HA GLY 22 -3.782 1.142 7.316 117 2HA GLY 22 2HA GLY 22 -4.906 0.132 8.251 118 HA PRO 23 HA PRO 23 -4.886 -3.086 5.550 119 1HB PRO 23 1HB PRO 23 -5.671 -2.344 2.977 120 2HB PRO 23 2HB PRO 23 -6.738 -2.612 4.375 121 1HG PRO 23 1HG PRO 23 -5.781 -0.054 3.200 122 2HG PRO 23 2HG PRO 23 -7.312 -0.401 4.084 123 1HD PRO 23 1HD PRO 23 -5.109 0.917 5.096 124 2HD PRO 23 2HD PRO 23 -6.333 0.196 6.082 125 H CYS 24 H CYS 24 -3.413 -0.484 3.545 126 HA CYS 24 HA CYS 24 -1.307 -2.361 2.659 127 1HB CYS 24 1HB CYS 24 -0.841 0.258 1.644 128 2HB CYS 24 2HB CYS 24 -1.224 -1.252 0.837 129 H ALA 25 H ALA 25 -0.717 -2.550 4.965 130 HA ALA 25 HA ALA 25 1.209 -0.376 5.699 131 1HB ALA 25 1HB ALA 25 -0.233 -2.316 7.522 132 2HB ALA 25 2HB ALA 25 -0.447 -0.551 7.409 133 3HB ALA 25 3HB ALA 25 1.080 -1.228 8.012 134 H ASN 26 H ASN 26 0.829 -3.942 5.865 135 HA ASN 26 HA ASN 26 3.557 -4.402 6.466 136 1HB ASN 26 1HB ASN 26 1.512 -6.179 5.063 137 2HB ASN 26 2HB ASN 26 3.105 -6.710 5.607 138 1HD2 ASN 26 2HD2 ASN 26 1.726 -8.293 6.845 139 2HD2 ASN 26 1HD2 ASN 26 1.068 -7.761 8.381 140 H CYS 27 H CYS 27 1.950 -3.731 3.467 141 HA CYS 27 HA CYS 27 3.879 -4.451 1.540 142 1HB CYS 27 1HB CYS 27 1.957 -2.119 1.312 143 2HB CYS 27 2HB CYS 27 2.715 -3.088 0.070 144 H LEU 28 H LEU 28 4.317 -2.040 4.041 145 HA LEU 28 HA LEU 28 6.252 -0.515 2.418 146 1HB LEU 28 1HB LEU 28 5.021 -0.210 5.206 147 2HB LEU 28 2HB LEU 28 6.230 0.867 4.549 148 HG LEU 28 HG LEU 28 3.877 1.597 4.561 149 1HD1 LEU 28 1HD1 LEU 28 5.718 2.523 2.986 150 2HD1 LEU 28 2HD1 LEU 28 4.819 1.630 1.737 151 3HD1 LEU 28 3HD1 LEU 28 4.022 2.931 2.624 152 1HD2 LEU 28 1HD2 LEU 28 2.809 -0.473 3.707 153 2HD2 LEU 28 2HD2 LEU 28 2.286 1.009 2.947 154 3HD2 LEU 28 3HD2 LEU 28 3.456 -0.040 2.082 155 H ALA 29 H ALA 29 5.958 -2.062 5.598 156 HA ALA 29 HA ALA 29 8.542 -1.472 6.406 157 1HB ALA 29 1HB ALA 29 8.041 -3.026 8.277 158 2HB ALA 29 2HB ALA 29 6.655 -3.673 7.380 159 3HB ALA 29 3HB ALA 29 6.665 -1.971 7.906 160 H GLY 30 H GLY 30 7.281 -4.580 5.243 161 1HA GLY 30 1HA GLY 30 8.810 -6.550 5.059 162 2HA GLY 30 2HA GLY 30 10.050 -5.424 4.469 163 H TYR 31 H TYR 31 9.488 -4.096 2.458 164 HA TYR 31 HA TYR 31 7.363 -5.480 0.834 165 1HB TYR 31 1HB TYR 31 6.815 -3.585 -0.007 166 2HB TYR 31 2HB TYR 31 7.236 -2.965 1.594 167 HD1 TYR 31 HD1 TYR 31 6.809 -1.429 -0.833 168 HD2 TYR 31 HD2 TYR 31 10.404 -3.150 0.657 169 HE1 TYR 31 HE1 TYR 31 8.051 0.337 -2.071 170 HE2 TYR 31 HE2 TYR 31 11.729 -1.443 -0.516 171 HH TYR 31 HH TYR 31 10.358 0.913 -2.817 172 HA PRO 32 HA PRO 32 11.270 -5.728 -1.604 173 1HB PRO 32 1HB PRO 32 12.328 -8.251 -1.286 174 2HB PRO 32 2HB PRO 32 12.729 -6.893 -0.216 175 1HG PRO 32 1HG PRO 32 10.624 -9.039 0.232 176 2HG PRO 32 2HG PRO 32 11.881 -8.449 1.372 177 1HD PRO 32 1HD PRO 32 9.355 -7.498 1.479 178 2HD PRO 32 2HD PRO 32 10.752 -6.438 1.762 179 H ALA 33 H ALA 33 8.378 -7.529 -1.216 180 HA ALA 33 HA ALA 33 8.445 -8.550 -4.014 181 1HB ALA 33 1HB ALA 33 6.905 -10.308 -3.246 182 2HB ALA 33 2HB ALA 33 8.445 -10.373 -2.360 183 3HB ALA 33 3HB ALA 33 6.989 -9.670 -1.586 184 H GLY 34 H GLY 34 7.232 -6.013 -2.194 185 1HA GLY 34 1HA GLY 34 5.254 -4.812 -2.169 186 2HA GLY 34 2HA GLY 34 4.427 -6.308 -2.611 187 H CYS 35 H CYS 35 6.955 -4.814 -4.654 188 HA CYS 35 HA CYS 35 5.160 -3.572 -6.494 189 1HB CYS 35 1HB CYS 35 7.842 -4.771 -7.207 190 2HB CYS 35 2HB CYS 35 7.035 -3.409 -7.968 191 H SER 36 H SER 36 6.063 -6.991 -6.028 192 HA SER 36 HA SER 36 4.988 -7.767 -8.579 193 1HB SER 36 1HB SER 36 5.748 -9.856 -8.021 194 2HB SER 36 2HB SER 36 6.903 -8.830 -7.206 195 HG SER 36 HG SER 36 5.675 -9.168 -5.266 196 H ASN 37 H ASN 37 3.731 -7.299 -5.308 197 HA ASN 37 HA ASN 37 1.338 -8.931 -5.734 198 1HB ASN 37 1HB ASN 37 2.468 -7.316 -3.437 199 2HB ASN 37 2HB ASN 37 0.745 -7.286 -3.580 200 1HD2 ASN 37 2HD2 ASN 37 -0.377 -9.328 -4.042 201 2HD2 ASN 37 1HD2 ASN 37 0.094 -10.680 -3.020 202 H SER 38 H SER 38 0.122 -8.095 -7.447 203 HA SER 38 HA SER 38 -0.089 -5.413 -8.174 204 1HB SER 38 1HB SER 38 -0.773 -7.488 -9.415 205 2HB SER 38 2HB SER 38 -2.314 -7.442 -8.536 206 HG SER 38 HG SER 38 -2.915 -5.813 -9.725 207 H ASP 39 H ASP 39 -1.750 -7.075 -5.539 208 HA ASP 39 HA ASP 39 -3.886 -5.311 -4.981 209 1HB ASP 39 1HB ASP 39 -3.589 -7.540 -3.963 210 2HB ASP 39 2HB ASP 39 -2.190 -6.994 -3.065 211 H CYS 40 H CYS 40 -0.416 -5.090 -4.164 212 HA CYS 40 HA CYS 40 -0.903 -2.512 -2.744 213 1HB CYS 40 1HB CYS 40 0.957 -4.806 -2.145 214 2HB CYS 40 2HB CYS 40 1.528 -3.175 -1.825 215 H THR 41 H THR 41 0.454 -3.909 -5.561 216 HA THR 41 HA THR 41 2.737 -2.459 -6.029 217 HB THR 41 HB THR 41 0.510 -3.481 -7.799 218 HG1 THR 41 HG1 THR 41 2.025 -4.830 -6.484 219 1HG2 THR 41 1HG2 THR 41 1.685 -1.812 -9.163 220 2HG2 THR 41 2HG2 THR 41 3.234 -2.620 -8.781 221 3HG2 THR 41 3HG2 THR 41 1.969 -3.489 -9.696 222 H ALA 42 H ALA 42 -0.667 -1.377 -6.714 223 HA ALA 42 HA ALA 42 0.197 0.969 -8.119 224 1HB ALA 42 1HB ALA 42 -2.032 -0.033 -8.465 225 2HB ALA 42 2HB ALA 42 -2.488 0.366 -6.796 226 3HB ALA 42 3HB ALA 42 -2.153 1.660 -7.952 227 H PHE 43 H PHE 43 -0.990 0.413 -4.790 228 HA PHE 43 HA PHE 43 -0.699 3.020 -3.719 229 1HB PHE 43 1HB PHE 43 -1.753 1.220 -2.492 230 2HB PHE 43 2HB PHE 43 -0.288 0.252 -2.546 231 HD1 PHE 43 HD1 PHE 43 -2.082 2.765 -0.573 232 HD2 PHE 43 HD2 PHE 43 1.689 0.831 -1.256 233 HE1 PHE 43 HE1 PHE 43 -1.272 3.511 1.643 234 HE2 PHE 43 HE2 PHE 43 2.549 1.727 0.860 235 HZ PHE 43 HZ PHE 43 1.046 3.024 2.364 236 H LEU 44 H LEU 44 1.745 0.356 -3.683 237 HA LEU 44 HA LEU 44 3.733 2.048 -2.689 238 1HB LEU 44 1HB LEU 44 4.004 -0.486 -4.345 239 2HB LEU 44 2HB LEU 44 5.286 0.280 -3.420 240 HG LEU 44 HG LEU 44 2.762 -0.904 -2.194 241 1HD1 LEU 44 1HD1 LEU 44 5.579 -1.980 -2.551 242 2HD1 LEU 44 2HD1 LEU 44 4.356 -2.696 -1.475 243 3HD1 LEU 44 3HD1 LEU 44 4.077 -2.624 -3.223 244 1HD2 LEU 44 1HD2 LEU 44 3.900 1.023 -0.929 245 2HD2 LEU 44 2HD2 LEU 44 3.707 -0.506 -0.108 246 3HD2 LEU 44 3HD2 LEU 44 5.281 -0.050 -0.810 247 H SER 45 H SER 45 2.839 1.581 -6.027 248 HA SER 45 HA SER 45 5.000 2.928 -7.303 249 1HB SER 45 1HB SER 45 3.075 1.631 -8.345 250 2HB SER 45 2HB SER 45 2.079 3.060 -8.109 251 HG SER 45 HG SER 45 2.837 3.584 -9.947 252 H GLN 46 H GLN 46 1.825 4.323 -6.185 253 HA GLN 46 HA GLN 46 2.544 7.014 -6.374 254 1HB GLN 46 1HB GLN 46 0.555 5.445 -4.697 255 2HB GLN 46 2HB GLN 46 0.745 7.171 -4.500 256 1HG GLN 46 1HG GLN 46 -1.074 6.809 -5.897 257 2HG GLN 46 2HG GLN 46 0.185 7.565 -6.861 258 1HE2 GLN 46 2HE2 GLN 46 -1.968 4.811 -6.522 259 2HE2 GLN 46 1HE2 GLN 46 -1.332 3.908 -7.880 260 H CYS 47 H CYS 47 3.155 4.765 -3.640 261 HA CYS 47 HA CYS 47 4.005 7.012 -1.989 262 1HB CYS 47 1HB CYS 47 4.356 4.155 -1.070 263 2HB CYS 47 2HB CYS 47 4.035 5.652 -0.166 264 H TYR 48 H TYR 48 5.788 4.341 -3.560 265 HA TYR 48 HA TYR 48 8.341 5.287 -2.339 266 1HB TYR 48 1HB TYR 48 7.533 2.634 -3.414 267 2HB TYR 48 2HB TYR 48 9.202 3.130 -3.160 268 HD1 TYR 48 HD1 TYR 48 9.996 3.908 -0.871 269 HD2 TYR 48 HD2 TYR 48 6.222 1.966 -1.583 270 HE1 TYR 48 HE1 TYR 48 9.927 3.183 1.503 271 HE2 TYR 48 HE2 TYR 48 6.325 1.007 0.674 272 HH TYR 48 HH TYR 48 8.942 1.550 2.984 273 H GLY 49 H GLY 49 6.668 4.696 -5.416 274 1HA GLY 49 1HA GLY 49 9.160 5.308 -6.964 275 2HA GLY 49 2HA GLY 49 7.517 5.693 -7.485 276 H GLY 50 H GLY 50 7.376 2.725 -5.867 277 1HA GLY 50 1HA GLY 50 6.540 1.541 -8.342 278 2HA GLY 50 2HA GLY 50 6.446 0.868 -6.716 279 H CYS 51 H CYS 51 9.139 0.710 -5.975 280 HA CYS 51 HA CYS 51 11.028 -0.450 -6.146 281 1HB CYS 51 1HB CYS 51 9.765 -1.926 -8.458 282 2HB CYS 51 2HB CYS 51 11.443 -2.087 -8.034 No H/Q in entry = 282 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -8.671 -5.921 -3.593 2 H2 GLY 1 H2 GLY 1 -7.025 -6.025 -3.477 3 H3 GLY 1 H3 GLY 1 -7.894 -7.344 -3.935 4 1HA GLY 1 1HA GLY 1 -7.106 -7.495 -1.670 5 2HA GLY 1 2HA GLY 1 -8.880 -7.508 -1.767 6 H GLU 2 H GLU 2 -7.466 -6.715 0.585 7 HA GLU 2 HA GLU 2 -8.894 -4.463 1.292 8 1HB GLU 2 1HB GLU 2 -7.541 -4.420 3.319 9 2HB GLU 2 2HB GLU 2 -8.153 -6.031 2.901 10 1HG GLU 2 1HG GLU 2 -5.733 -6.093 1.669 11 2HG GLU 2 2HG GLU 2 -5.340 -5.002 2.990 12 H CYS 3 H CYS 3 -5.608 -4.565 -0.096 13 HA CYS 3 HA CYS 3 -5.153 -1.797 0.667 14 1HB CYS 3 1HB CYS 3 -3.270 -3.285 0.417 15 2HB CYS 3 2HB CYS 3 -3.669 -3.607 -1.262 16 H GLU 4 H GLU 4 -6.067 -3.478 -2.388 17 HA GLU 4 HA GLU 4 -6.466 -1.110 -3.935 18 1HB GLU 4 1HB GLU 4 -7.788 -3.859 -4.157 19 2HB GLU 4 2HB GLU 4 -7.946 -2.566 -5.340 20 1HG GLU 4 1HG GLU 4 -5.415 -2.607 -5.601 21 2HG GLU 4 2HG GLU 4 -5.422 -4.059 -4.588 22 H GLN 5 H GLN 5 -8.537 -2.722 -1.566 23 HA GLN 5 HA GLN 5 -11.003 -1.400 -2.110 24 1HB GLN 5 1HB GLN 5 -10.699 -3.405 -0.629 25 2HB GLN 5 2HB GLN 5 -9.905 -2.390 0.567 26 1HG GLN 5 1HG GLN 5 -12.777 -2.136 -0.357 27 2HG GLN 5 2HG GLN 5 -12.233 -2.875 1.143 28 1HE2 GLN 5 2HE2 GLN 5 -13.700 -0.196 0.068 29 2HE2 GLN 5 1HE2 GLN 5 -13.131 1.018 1.173 30 H CYS 6 H CYS 6 -8.366 -0.677 0.247 31 HA CYS 6 HA CYS 6 -9.371 1.742 1.184 32 1HB CYS 6 1HB CYS 6 -7.352 0.326 1.908 33 2HB CYS 6 2HB CYS 6 -6.406 1.234 0.740 34 H PHE 7 H PHE 7 -7.241 1.173 -1.619 35 HA PHE 7 HA PHE 7 -7.042 3.838 -2.574 36 1HB PHE 7 1HB PHE 7 -6.380 1.173 -3.472 37 2HB PHE 7 2HB PHE 7 -7.188 2.020 -4.774 38 HD1 PHE 7 HD1 PHE 7 -5.707 2.956 -6.287 39 HD2 PHE 7 HD2 PHE 7 -4.681 3.028 -2.089 40 HE1 PHE 7 HE1 PHE 7 -3.589 4.149 -6.813 41 HE2 PHE 7 HE2 PHE 7 -2.589 4.166 -2.627 42 HZ PHE 7 HZ PHE 7 -2.035 4.778 -4.971 43 H SER 8 H SER 8 -9.559 1.370 -3.271 44 HA SER 8 HA SER 8 -11.066 3.036 -5.061 45 1HB SER 8 1HB SER 8 -11.977 0.643 -3.405 46 2HB SER 8 2HB SER 8 -12.799 1.336 -4.809 47 HG SER 8 HG SER 8 -10.315 0.001 -4.692 48 H ASP 9 H ASP 9 -10.737 3.140 -1.620 49 HA ASP 9 HA ASP 9 -13.144 4.876 -1.389 50 1HB ASP 9 1HB ASP 9 -12.075 2.798 0.314 51 2HB ASP 9 2HB ASP 9 -12.011 4.322 1.173 52 H GLY 10 H GLY 10 -10.752 5.563 -2.815 53 1HA GLY 10 1HA GLY 10 -10.469 8.241 -1.723 54 2HA GLY 10 2HA GLY 10 -9.918 7.636 -3.285 55 H GLY 11 H GLY 11 -8.642 5.353 -1.398 56 1HA GLY 11 1HA GLY 11 -6.526 4.893 -0.702 57 2HA GLY 11 2HA GLY 11 -6.576 6.465 0.099 58 H ASP 12 H ASP 12 -4.583 7.228 -0.329 59 HA ASP 12 HA ASP 12 -3.616 7.482 -3.112 60 1HB ASP 12 1HB ASP 12 -2.301 9.499 -1.969 61 2HB ASP 12 2HB ASP 12 -3.979 9.730 -2.424 62 H CYS 13 H CYS 13 -2.307 7.713 0.150 63 HA CYS 13 HA CYS 13 -1.717 5.133 0.381 64 1HB CYS 13 1HB CYS 13 0.315 4.769 -0.380 65 2HB CYS 13 2HB CYS 13 0.411 6.447 -0.906 66 H THR 14 H THR 14 -1.080 8.455 1.295 67 HA THR 14 HA THR 14 -0.382 8.147 3.964 68 HB THR 14 HB THR 14 -1.881 10.519 2.789 69 HG1 THR 14 HG1 THR 14 0.637 10.947 2.413 70 1HG2 THR 14 1HG2 THR 14 0.403 10.249 4.801 71 2HG2 THR 14 2HG2 THR 14 -0.217 11.788 4.169 72 3HG2 THR 14 3HG2 THR 14 -1.272 10.751 5.129 73 H THR 15 H THR 15 -3.649 8.685 2.512 74 HA THR 15 HA THR 15 -4.983 8.419 5.085 75 HB THR 15 HB THR 15 -5.478 9.892 3.001 76 HG1 THR 15 HG1 THR 15 -6.917 9.194 5.031 77 1HG2 THR 15 1HG2 THR 15 -5.875 8.300 1.231 78 2HG2 THR 15 2HG2 THR 15 -7.293 7.660 2.099 79 3HG2 THR 15 3HG2 THR 15 -7.247 9.333 1.548 80 H CYS 16 H CYS 16 -3.439 6.135 4.598 81 HA CYS 16 HA CYS 16 -5.332 3.848 4.710 82 1HB CYS 16 1HB CYS 16 -3.418 4.234 2.405 83 2HB CYS 16 2HB CYS 16 -3.958 2.641 2.933 84 H PHE 17 H PHE 17 -1.823 5.010 4.603 85 HA PHE 17 HA PHE 17 -0.868 2.616 5.664 86 1HB PHE 17 1HB PHE 17 0.607 4.358 4.791 87 2HB PHE 17 2HB PHE 17 0.273 5.346 6.214 88 HD1 PHE 17 HD1 PHE 17 2.048 5.282 7.855 89 HD2 PHE 17 HD2 PHE 17 1.131 1.734 5.559 90 HE1 PHE 17 HE1 PHE 17 3.793 3.998 9.079 91 HE2 PHE 17 HE2 PHE 17 2.834 0.459 6.853 92 HZ PHE 17 HZ PHE 17 4.162 1.575 8.556 93 H ASN 18 H ASN 18 -2.235 5.345 7.498 94 HA ASN 18 HA ASN 18 -2.926 5.563 9.651 95 1HB ASN 18 1HB ASN 18 -4.169 3.372 8.761 96 2HB ASN 18 2HB ASN 18 -3.054 2.626 9.938 97 1HD2 ASN 18 2HD2 ASN 18 -6.144 3.132 9.825 98 2HD2 ASN 18 1HD2 ASN 18 -6.518 4.140 11.212 99 H ASN 19 H ASN 19 -0.143 5.344 9.217 100 HA ASN 19 HA ASN 19 1.769 4.940 10.068 101 1HB ASN 19 1HB ASN 19 1.008 6.558 11.601 102 2HB ASN 19 2HB ASN 19 0.276 5.331 12.653 103 1HD2 ASN 19 2HD2 ASN 19 3.561 6.099 11.229 104 2HD2 ASN 19 1HD2 ASN 19 4.389 5.588 12.701 105 H GLY 20 H GLY 20 0.227 2.390 9.629 106 1HA GLY 20 1HA GLY 20 2.254 0.706 10.908 107 2HA GLY 20 2HA GLY 20 1.565 0.494 9.314 108 H THR 21 H THR 21 -1.179 1.139 10.598 109 HA THR 21 HA THR 21 -1.721 -1.682 11.324 110 HB THR 21 HB THR 21 -1.576 -0.061 13.262 111 HG1 THR 21 HG1 THR 21 -3.038 -1.213 14.332 112 1HG2 THR 21 1HG2 THR 21 -2.978 1.643 12.111 113 2HG2 THR 21 2HG2 THR 21 -4.361 0.537 12.254 114 3HG2 THR 21 3HG2 THR 21 -3.576 1.194 13.715 115 H GLY 22 H GLY 22 -2.107 0.539 8.932 116 1HA GLY 22 1HA GLY 22 -3.812 1.043 7.455 117 2HA GLY 22 2HA GLY 22 -4.955 0.091 8.395 118 HA PRO 23 HA PRO 23 -5.049 -3.117 5.753 119 1HB PRO 23 1HB PRO 23 -5.845 -2.383 3.202 120 2HB PRO 23 2HB PRO 23 -6.883 -2.380 4.655 121 1HG PRO 23 1HG PRO 23 -5.571 -0.034 3.300 122 2HG PRO 23 2HG PRO 23 -7.128 -0.132 4.178 123 1HD PRO 23 1HD PRO 23 -4.680 0.824 5.095 124 2HD PRO 23 2HD PRO 23 -6.047 0.461 6.135 125 H CYS 24 H CYS 24 -3.159 -0.769 3.784 126 HA CYS 24 HA CYS 24 -1.837 -2.951 2.324 127 1HB CYS 24 1HB CYS 24 -2.477 -0.375 1.601 128 2HB CYS 24 2HB CYS 24 -0.802 -0.166 2.091 129 H ALA 25 H ALA 25 -1.407 -1.865 5.424 130 HA ALA 25 HA ALA 25 1.027 -0.591 5.523 131 1HB ALA 25 1HB ALA 25 -0.243 -2.365 7.628 132 2HB ALA 25 2HB ALA 25 -0.540 -0.615 7.372 133 3HB ALA 25 3HB ALA 25 1.041 -1.183 7.916 134 H ASN 26 H ASN 26 0.672 -4.202 5.626 135 HA ASN 26 HA ASN 26 3.491 -4.443 6.347 136 1HB ASN 26 1HB ASN 26 1.606 -6.569 5.238 137 2HB ASN 26 2HB ASN 26 3.252 -6.848 5.798 138 1HD2 ASN 26 2HD2 ASN 26 -0.034 -6.085 6.857 139 2HD2 ASN 26 1HD2 ASN 26 0.264 -6.463 8.543 140 H CYS 27 H CYS 27 1.937 -3.691 3.417 141 HA CYS 27 HA CYS 27 3.972 -4.708 1.575 142 1HB CYS 27 1HB CYS 27 1.769 -2.719 1.010 143 2HB CYS 27 2HB CYS 27 2.892 -3.445 -0.094 144 H LEU 28 H LEU 28 4.381 -2.579 4.050 145 HA LEU 28 HA LEU 28 5.885 -0.565 2.457 146 1HB LEU 28 1HB LEU 28 4.754 -0.425 5.285 147 2HB LEU 28 2HB LEU 28 5.713 0.796 4.547 148 HG LEU 28 HG LEU 28 2.979 0.675 4.632 149 1HD1 LEU 28 1HD1 LEU 28 4.353 2.665 4.360 150 2HD1 LEU 28 2HD1 LEU 28 4.619 2.274 2.658 151 3HD1 LEU 28 3HD1 LEU 28 2.982 2.672 3.240 152 1HD2 LEU 28 1HD2 LEU 28 2.695 -0.945 2.875 153 2HD2 LEU 28 2HD2 LEU 28 2.003 0.587 2.504 154 3HD2 LEU 28 3HD2 LEU 28 3.572 0.133 1.749 155 H ALA 29 H ALA 29 6.074 -1.963 5.738 156 HA ALA 29 HA ALA 29 8.480 -0.937 6.375 157 1HB ALA 29 1HB ALA 29 8.636 -2.708 8.118 158 2HB ALA 29 2HB ALA 29 7.331 -3.606 7.304 159 3HB ALA 29 3HB ALA 29 7.018 -1.995 7.999 160 H GLY 30 H GLY 30 8.080 -4.183 4.916 161 1HA GLY 30 1HA GLY 30 10.357 -5.466 4.748 162 2HA GLY 30 2HA GLY 30 10.831 -4.000 3.850 163 H TYR 31 H TYR 31 9.892 -3.582 1.821 164 HA TYR 31 HA TYR 31 7.775 -5.467 0.873 165 1HB TYR 31 1HB TYR 31 6.834 -3.584 0.041 166 2HB TYR 31 2HB TYR 31 7.426 -3.037 1.582 167 HD1 TYR 31 HD1 TYR 31 6.503 -1.393 -0.628 168 HD2 TYR 31 HD2 TYR 31 10.437 -2.890 0.000 169 HE1 TYR 31 HE1 TYR 31 7.394 0.506 -1.970 170 HE2 TYR 31 HE2 TYR 31 11.372 -1.077 -1.423 171 HH TYR 31 HH TYR 31 10.847 0.870 -2.801 172 HA PRO 32 HA PRO 32 11.112 -5.418 -2.356 173 1HB PRO 32 1HB PRO 32 12.720 -7.596 -2.012 174 2HB PRO 32 2HB PRO 32 12.884 -6.143 -0.990 175 1HG PRO 32 1HG PRO 32 11.306 -8.670 -0.354 176 2HG PRO 32 2HG PRO 32 12.547 -7.864 0.657 177 1HD PRO 32 1HD PRO 32 9.871 -7.354 0.997 178 2HD PRO 32 2HD PRO 32 11.134 -6.099 1.195 179 H ALA 33 H ALA 33 8.512 -7.186 -1.617 180 HA ALA 33 HA ALA 33 8.391 -8.451 -4.291 181 1HB ALA 33 1HB ALA 33 6.758 -10.101 -3.331 182 2HB ALA 33 2HB ALA 33 8.421 -10.335 -2.787 183 3HB ALA 33 3HB ALA 33 7.222 -9.535 -1.710 184 H GLY 34 H GLY 34 7.122 -6.134 -2.007 185 1HA GLY 34 1HA GLY 34 5.127 -5.008 -1.882 186 2HA GLY 34 2HA GLY 34 4.349 -6.432 -2.563 187 H CYS 35 H CYS 35 6.992 -4.744 -4.231 188 HA CYS 35 HA CYS 35 5.696 -3.073 -6.000 189 1HB CYS 35 1HB CYS 35 7.898 -4.705 -7.068 190 2HB CYS 35 2HB CYS 35 7.817 -2.964 -6.925 191 H SER 36 H SER 36 5.612 -6.640 -5.934 192 HA SER 36 HA SER 36 4.644 -6.781 -8.679 193 1HB SER 36 1HB SER 36 5.773 -8.806 -8.697 194 2HB SER 36 2HB SER 36 6.870 -7.659 -7.936 195 HG SER 36 HG SER 36 5.999 -8.635 -5.880 196 H ASN 37 H ASN 37 3.743 -7.088 -5.438 197 HA ASN 37 HA ASN 37 1.612 -9.140 -5.829 198 1HB ASN 37 1HB ASN 37 2.810 -7.809 -3.452 199 2HB ASN 37 2HB ASN 37 1.094 -7.632 -3.447 200 1HD2 ASN 37 2HD2 ASN 37 -0.262 -9.496 -3.922 201 2HD2 ASN 37 1HD2 ASN 37 0.148 -11.022 -3.201 202 H SER 38 H SER 38 0.175 -8.250 -7.431 203 HA SER 38 HA SER 38 0.050 -5.507 -7.936 204 1HB SER 38 1HB SER 38 -1.955 -6.011 -9.292 205 2HB SER 38 2HB SER 38 -0.470 -6.895 -9.645 206 HG SER 38 HG SER 38 -2.810 -7.800 -8.375 207 H ASP 39 H ASP 39 -1.814 -7.364 -5.600 208 HA ASP 39 HA ASP 39 -3.889 -5.606 -4.959 209 1HB ASP 39 1HB ASP 39 -3.591 -7.842 -4.017 210 2HB ASP 39 2HB ASP 39 -2.174 -7.349 -3.101 211 H CYS 40 H CYS 40 -0.467 -5.361 -4.219 212 HA CYS 40 HA CYS 40 -0.847 -2.953 -2.526 213 1HB CYS 40 1HB CYS 40 1.247 -5.158 -2.581 214 2HB CYS 40 2HB CYS 40 1.589 -3.586 -1.835 215 H THR 41 H THR 41 0.809 -4.234 -5.433 216 HA THR 41 HA THR 41 2.696 -2.511 -6.009 217 HB THR 41 HB THR 41 0.522 -3.596 -7.794 218 HG1 THR 41 HG1 THR 41 2.175 -5.173 -8.166 219 1HG2 THR 41 1HG2 THR 41 1.765 -1.898 -9.059 220 2HG2 THR 41 2HG2 THR 41 3.274 -2.754 -8.681 221 3HG2 THR 41 3HG2 THR 41 1.989 -3.567 -9.630 222 H ALA 42 H ALA 42 -0.694 -1.665 -7.193 223 HA ALA 42 HA ALA 42 0.232 0.846 -8.172 224 1HB ALA 42 1HB ALA 42 -1.845 -0.229 -8.969 225 2HB ALA 42 2HB ALA 42 -2.189 1.396 -8.327 226 3HB ALA 42 3HB ALA 42 -2.589 -0.032 -7.360 227 H PHE 43 H PHE 43 -0.880 -0.020 -4.917 228 HA PHE 43 HA PHE 43 -1.072 2.723 -3.967 229 1HB PHE 43 1HB PHE 43 -2.143 1.003 -2.664 230 2HB PHE 43 2HB PHE 43 -0.650 0.069 -2.585 231 HD1 PHE 43 HD1 PHE 43 1.310 0.822 -1.385 232 HD2 PHE 43 HD2 PHE 43 -2.613 2.425 -0.721 233 HE1 PHE 43 HE1 PHE 43 2.090 1.763 0.736 234 HE2 PHE 43 HE2 PHE 43 -1.879 3.165 1.544 235 HZ PHE 43 HZ PHE 43 0.498 2.872 2.253 236 H LEU 44 H LEU 44 1.522 0.186 -3.754 237 HA LEU 44 HA LEU 44 3.362 1.933 -2.698 238 1HB LEU 44 1HB LEU 44 3.889 -0.503 -4.446 239 2HB LEU 44 2HB LEU 44 5.085 0.300 -3.442 240 HG LEU 44 HG LEU 44 2.579 -1.087 -2.388 241 1HD1 LEU 44 1HD1 LEU 44 5.483 -1.928 -2.580 242 2HD1 LEU 44 2HD1 LEU 44 4.288 -2.739 -1.551 243 3HD1 LEU 44 3HD1 LEU 44 4.042 -2.659 -3.306 244 1HD2 LEU 44 1HD2 LEU 44 3.398 0.837 -0.920 245 2HD2 LEU 44 2HD2 LEU 44 3.309 -0.766 -0.222 246 3HD2 LEU 44 3HD2 LEU 44 4.876 -0.092 -0.722 247 H SER 45 H SER 45 2.686 1.387 -6.160 248 HA SER 45 HA SER 45 4.720 2.632 -7.461 249 1HB SER 45 1HB SER 45 1.733 2.309 -7.844 250 2HB SER 45 2HB SER 45 2.699 3.020 -9.097 251 HG SER 45 HG SER 45 2.711 0.837 -9.493 252 H GLN 46 H GLN 46 1.992 4.249 -5.728 253 HA GLN 46 HA GLN 46 3.238 6.876 -6.251 254 1HB GLN 46 1HB GLN 46 0.528 5.928 -5.215 255 2HB GLN 46 2HB GLN 46 1.094 7.592 -5.032 256 1HG GLN 46 1HG GLN 46 -0.128 7.668 -7.013 257 2HG GLN 46 2HG GLN 46 1.571 7.623 -7.502 258 1HE2 GLN 46 2HE2 GLN 46 -1.523 5.873 -7.640 259 2HE2 GLN 46 1HE2 GLN 46 -0.892 4.655 -8.750 260 H CYS 47 H CYS 47 2.465 4.696 -3.516 261 HA CYS 47 HA CYS 47 3.025 6.516 -1.435 262 1HB CYS 47 1HB CYS 47 2.011 4.113 -1.418 263 2HB CYS 47 2HB CYS 47 3.670 3.556 -1.320 264 H TYR 48 H TYR 48 5.154 4.568 -3.390 265 HA TYR 48 HA TYR 48 7.626 5.461 -1.991 266 1HB TYR 48 1HB TYR 48 6.805 2.767 -3.044 267 2HB TYR 48 2HB TYR 48 8.480 3.222 -2.881 268 HD1 TYR 48 HD1 TYR 48 9.411 3.867 -0.622 269 HD2 TYR 48 HD2 TYR 48 5.544 2.078 -1.170 270 HE1 TYR 48 HE1 TYR 48 9.488 3.024 1.721 271 HE2 TYR 48 HE2 TYR 48 5.675 1.084 1.104 272 HH TYR 48 HH TYR 48 8.463 1.526 3.231 273 H GLY 49 H GLY 49 6.435 3.899 -5.021 274 1HA GLY 49 1HA GLY 49 8.606 5.176 -6.524 275 2HA GLY 49 2HA GLY 49 6.974 5.617 -7.011 276 H GLY 50 H GLY 50 7.291 2.347 -5.787 277 1HA GLY 50 1HA GLY 50 6.947 1.190 -8.473 278 2HA GLY 50 2HA GLY 50 6.788 0.383 -6.918 279 H CYS 51 H CYS 51 8.639 -0.380 -5.854 280 HA CYS 51 HA CYS 51 11.331 -0.042 -6.620 281 1HB CYS 51 1HB CYS 51 11.368 -2.549 -5.631 282 2HB CYS 51 2HB CYS 51 11.402 -1.068 -4.702 No H/Q in entry = 282 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -8.707 -6.384 -3.319 2 H2 GLY 1 H2 GLY 1 -7.120 -5.942 -3.417 3 H3 GLY 1 H3 GLY 1 -7.580 -7.428 -3.937 4 1HA GLY 1 1HA GLY 1 -6.453 -7.512 -1.813 5 2HA GLY 1 2HA GLY 1 -8.123 -8.112 -1.726 6 H GLU 2 H GLU 2 -6.552 -7.031 0.516 7 HA GLU 2 HA GLU 2 -8.568 -5.294 1.535 8 1HB GLU 2 1HB GLU 2 -7.096 -5.005 3.516 9 2HB GLU 2 2HB GLU 2 -7.754 -6.608 3.168 10 1HG GLU 2 1HG GLU 2 -5.667 -7.291 2.191 11 2HG GLU 2 2HG GLU 2 -4.915 -5.715 2.502 12 H CYS 3 H CYS 3 -5.357 -4.758 0.180 13 HA CYS 3 HA CYS 3 -5.056 -1.995 1.041 14 1HB CYS 3 1HB CYS 3 -3.158 -3.389 0.516 15 2HB CYS 3 2HB CYS 3 -3.700 -3.577 -1.152 16 H GLU 4 H GLU 4 -6.016 -3.635 -2.104 17 HA GLU 4 HA GLU 4 -6.735 -1.312 -3.499 18 1HB GLU 4 1HB GLU 4 -7.702 -4.176 -3.641 19 2HB GLU 4 2HB GLU 4 -8.402 -2.922 -4.673 20 1HG GLU 4 1HG GLU 4 -6.341 -2.366 -5.659 21 2HG GLU 4 2HG GLU 4 -5.413 -3.399 -4.581 22 H GLN 5 H GLN 5 -8.681 -3.077 -1.058 23 HA GLN 5 HA GLN 5 -11.077 -1.604 -1.684 24 1HB GLN 5 1HB GLN 5 -10.813 -3.827 -0.387 25 2HB GLN 5 2HB GLN 5 -10.488 -2.824 1.021 26 1HG GLN 5 1HG GLN 5 -12.839 -3.419 0.985 27 2HG GLN 5 2HG GLN 5 -12.733 -1.700 0.644 28 1HE2 GLN 5 2HE2 GLN 5 -14.068 -1.051 -1.114 29 2HE2 GLN 5 1HE2 GLN 5 -14.387 -2.068 -2.509 30 H CYS 6 H CYS 6 -8.182 -0.721 0.037 31 HA CYS 6 HA CYS 6 -9.380 1.535 1.482 32 1HB CYS 6 1HB CYS 6 -7.291 0.257 2.091 33 2HB CYS 6 2HB CYS 6 -6.454 1.085 0.796 34 H PHE 7 H PHE 7 -7.330 1.050 -1.419 35 HA PHE 7 HA PHE 7 -7.409 3.676 -2.424 36 1HB PHE 7 1HB PHE 7 -6.764 0.974 -3.384 37 2HB PHE 7 2HB PHE 7 -7.578 1.882 -4.638 38 HD1 PHE 7 HD1 PHE 7 -6.664 4.064 -5.439 39 HD2 PHE 7 HD2 PHE 7 -4.586 1.677 -2.506 40 HE1 PHE 7 HE1 PHE 7 -4.626 5.376 -5.832 41 HE2 PHE 7 HE2 PHE 7 -2.574 3.065 -2.860 42 HZ PHE 7 HZ PHE 7 -2.534 4.860 -4.541 43 H SER 8 H SER 8 -9.804 1.098 -2.697 44 HA SER 8 HA SER 8 -11.595 2.253 -4.528 45 1HB SER 8 1HB SER 8 -11.480 -0.017 -2.865 46 2HB SER 8 2HB SER 8 -12.914 0.829 -2.302 47 HG SER 8 HG SER 8 -13.788 0.677 -4.246 48 H ASP 9 H ASP 9 -11.011 3.068 -1.089 49 HA ASP 9 HA ASP 9 -13.366 4.905 -1.168 50 1HB ASP 9 1HB ASP 9 -12.457 3.118 0.776 51 2HB ASP 9 2HB ASP 9 -11.910 4.666 1.372 52 H GLY 10 H GLY 10 -10.755 5.306 -2.590 53 1HA GLY 10 1HA GLY 10 -10.905 8.170 -2.130 54 2HA GLY 10 2HA GLY 10 -10.052 7.345 -3.433 55 H GLY 11 H GLY 11 -8.656 5.786 -0.897 56 1HA GLY 11 1HA GLY 11 -6.745 6.119 0.299 57 2HA GLY 11 2HA GLY 11 -6.832 7.866 -0.011 58 H ASP 12 H ASP 12 -4.490 7.693 -0.339 59 HA ASP 12 HA ASP 12 -3.658 6.570 -2.987 60 1HB ASP 12 1HB ASP 12 -1.857 8.426 -2.872 61 2HB ASP 12 2HB ASP 12 -3.483 8.821 -3.392 62 H CYS 13 H CYS 13 -1.935 7.946 -0.232 63 HA CYS 13 HA CYS 13 -1.009 5.330 0.670 64 1HB CYS 13 1HB CYS 13 0.765 5.997 -0.946 65 2HB CYS 13 2HB CYS 13 1.063 7.453 0.014 66 H THR 14 H THR 14 -1.439 8.828 1.080 67 HA THR 14 HA THR 14 -0.676 9.121 3.773 68 HB THR 14 HB THR 14 -2.933 10.474 2.203 69 HG1 THR 14 HG1 THR 14 -1.504 11.537 1.158 70 1HG2 THR 14 1HG2 THR 14 -1.195 11.499 4.494 71 2HG2 THR 14 2HG2 THR 14 -2.410 12.438 3.594 72 3HG2 THR 14 3HG2 THR 14 -2.923 11.078 4.596 73 H THR 15 H THR 15 -4.037 8.565 2.373 74 HA THR 15 HA THR 15 -5.082 8.070 4.904 75 HB THR 15 HB THR 15 -5.891 8.175 1.957 76 HG1 THR 15 HG1 THR 15 -5.651 10.239 2.115 77 1HG2 THR 15 1HG2 THR 15 -7.649 8.898 4.284 78 2HG2 THR 15 2HG2 THR 15 -7.973 9.117 2.544 79 3HG2 THR 15 3HG2 THR 15 -7.847 7.487 3.210 80 H CYS 16 H CYS 16 -3.260 5.874 3.978 81 HA CYS 16 HA CYS 16 -5.048 3.501 4.338 82 1HB CYS 16 1HB CYS 16 -3.424 4.071 1.813 83 2HB CYS 16 2HB CYS 16 -3.955 2.457 2.286 84 H PHE 17 H PHE 17 -1.859 4.983 4.749 85 HA PHE 17 HA PHE 17 -0.754 2.327 5.403 86 1HB PHE 17 1HB PHE 17 0.683 4.105 4.464 87 2HB PHE 17 2HB PHE 17 0.345 5.104 5.893 88 HD1 PHE 17 HD1 PHE 17 1.217 1.472 5.416 89 HD2 PHE 17 HD2 PHE 17 2.301 5.220 7.219 90 HE1 PHE 17 HE1 PHE 17 2.938 0.307 6.806 91 HE2 PHE 17 HE2 PHE 17 4.007 4.091 8.561 92 HZ PHE 17 HZ PHE 17 4.361 1.607 8.335 93 H ASN 18 H ASN 18 -2.179 5.123 7.077 94 HA ASN 18 HA ASN 18 -2.892 5.519 9.138 95 1HB ASN 18 1HB ASN 18 -4.207 3.321 8.420 96 2HB ASN 18 2HB ASN 18 -3.181 2.626 9.704 97 1HD2 ASN 18 2HD2 ASN 18 -6.158 2.802 9.755 98 2HD2 ASN 18 1HD2 ASN 18 -6.525 3.915 11.036 99 H ASN 19 H ASN 19 -0.217 5.461 8.863 100 HA ASN 19 HA ASN 19 1.728 4.705 9.399 101 1HB ASN 19 1HB ASN 19 1.217 6.696 10.861 102 2HB ASN 19 2HB ASN 19 1.135 5.559 12.223 103 1HD2 ASN 19 2HD2 ASN 19 3.161 4.924 13.135 104 2HD2 ASN 19 1HD2 ASN 19 4.702 5.203 12.351 105 H GLY 20 H GLY 20 0.830 2.452 8.941 106 1HA GLY 20 1HA GLY 20 2.318 0.763 10.782 107 2HA GLY 20 2HA GLY 20 1.765 0.373 9.168 108 H THR 21 H THR 21 -1.030 1.554 10.523 109 HA THR 21 HA THR 21 -1.888 -1.040 11.656 110 HB THR 21 HB THR 21 -2.287 1.781 12.145 111 HG1 THR 21 HG1 THR 21 -1.208 -0.042 13.532 112 1HG2 THR 21 1HG2 THR 21 -4.527 1.351 11.699 113 2HG2 THR 21 2HG2 THR 21 -4.539 -0.043 12.812 114 3HG2 THR 21 3HG2 THR 21 -4.307 1.612 13.432 115 H GLY 22 H GLY 22 -1.930 0.737 8.729 116 1HA GLY 22 1HA GLY 22 -3.411 1.044 7.040 117 2HA GLY 22 2HA GLY 22 -4.739 0.548 8.105 118 HA PRO 23 HA PRO 23 -4.922 -3.282 5.877 119 1HB PRO 23 1HB PRO 23 -5.932 -2.718 3.403 120 2HB PRO 23 2HB PRO 23 -6.911 -2.578 4.891 121 1HG PRO 23 1HG PRO 23 -5.569 -0.413 3.285 122 2HG PRO 23 2HG PRO 23 -7.145 -0.355 4.105 123 1HD PRO 23 1HD PRO 23 -4.756 0.672 5.052 124 2HD PRO 23 2HD PRO 23 -6.134 0.364 6.077 125 H CYS 24 H CYS 24 -3.710 -0.701 3.746 126 HA CYS 24 HA CYS 24 -1.816 -2.291 2.244 127 1HB CYS 24 1HB CYS 24 -2.284 0.675 2.612 128 2HB CYS 24 2HB CYS 24 -1.185 -0.030 1.424 129 H ALA 25 H ALA 25 -1.460 -2.300 5.359 130 HA ALA 25 HA ALA 25 0.831 -0.482 5.733 131 1HB ALA 25 1HB ALA 25 -0.492 -2.401 7.664 132 2HB ALA 25 2HB ALA 25 -0.659 -0.617 7.594 133 3HB ALA 25 3HB ALA 25 0.885 -1.363 8.036 134 H ASN 26 H ASN 26 0.301 -4.043 5.625 135 HA ASN 26 HA ASN 26 3.115 -4.581 6.054 136 1HB ASN 26 1HB ASN 26 0.808 -6.266 5.065 137 2HB ASN 26 2HB ASN 26 2.464 -6.869 5.057 138 1HD2 ASN 26 2HD2 ASN 26 -0.320 -6.855 6.928 139 2HD2 ASN 26 1HD2 ASN 26 0.443 -7.049 8.493 140 H CYS 27 H CYS 27 1.395 -3.428 3.277 141 HA CYS 27 HA CYS 27 3.185 -4.288 1.248 142 1HB CYS 27 1HB CYS 27 1.818 -1.582 1.301 143 2HB CYS 27 2HB CYS 27 2.443 -2.441 -0.066 144 H LEU 28 H LEU 28 3.900 -2.077 3.941 145 HA LEU 28 HA LEU 28 6.050 -0.754 2.463 146 1HB LEU 28 1HB LEU 28 4.784 -0.433 5.223 147 2HB LEU 28 2HB LEU 28 6.111 0.539 4.636 148 HG LEU 28 HG LEU 28 3.932 1.569 4.586 149 1HD1 LEU 28 1HD1 LEU 28 5.852 2.158 2.924 150 2HD1 LEU 28 2HD1 LEU 28 4.748 1.427 1.728 151 3HD1 LEU 28 3HD1 LEU 28 4.227 2.840 2.648 152 1HD2 LEU 28 1HD2 LEU 28 2.620 -0.390 3.820 153 2HD2 LEU 28 2HD2 LEU 28 2.225 1.140 3.061 154 3HD2 LEU 28 3HD2 LEU 28 3.209 -0.050 2.171 155 H ALA 29 H ALA 29 5.652 -2.379 5.634 156 HA ALA 29 HA ALA 29 8.213 -1.747 6.488 157 1HB ALA 29 1HB ALA 29 7.785 -3.418 8.311 158 2HB ALA 29 2HB ALA 29 6.350 -3.976 7.426 159 3HB ALA 29 3HB ALA 29 6.425 -2.309 8.043 160 H GLY 30 H GLY 30 7.096 -4.964 5.408 161 1HA GLY 30 1HA GLY 30 8.657 -6.807 4.961 162 2HA GLY 30 2HA GLY 30 9.857 -5.594 4.459 163 H TYR 31 H TYR 31 9.570 -4.480 2.433 164 HA TYR 31 HA TYR 31 7.464 -5.746 0.716 165 1HB TYR 31 1HB TYR 31 6.755 -3.764 -0.016 166 2HB TYR 31 2HB TYR 31 7.079 -3.272 1.639 167 HD1 TYR 31 HD1 TYR 31 10.268 -3.173 1.049 168 HD2 TYR 31 HD2 TYR 31 6.758 -1.614 -0.797 169 HE1 TYR 31 HE1 TYR 31 11.606 -1.269 0.157 170 HE2 TYR 31 HE2 TYR 31 8.019 0.300 -1.749 171 HH TYR 31 HH TYR 31 10.106 1.454 -1.545 172 HA PRO 32 HA PRO 32 11.669 -5.476 -1.229 173 1HB PRO 32 1HB PRO 32 12.581 -8.111 -1.230 174 2HB PRO 32 2HB PRO 32 12.945 -6.906 0.030 175 1HG PRO 32 1HG PRO 32 10.888 -9.111 0.067 176 2HG PRO 32 2HG PRO 32 11.920 -8.477 1.401 177 1HD PRO 32 1HD PRO 32 9.287 -7.772 1.090 178 2HD PRO 32 2HD PRO 32 10.536 -6.749 1.854 179 H ALA 33 H ALA 33 8.996 -7.615 -1.519 180 HA ALA 33 HA ALA 33 9.268 -8.003 -4.453 181 1HB ALA 33 1HB ALA 33 7.841 -9.966 -4.038 182 2HB ALA 33 2HB ALA 33 9.295 -10.031 -3.027 183 3HB ALA 33 3HB ALA 33 7.743 -9.521 -2.319 184 H GLY 34 H GLY 34 7.728 -5.825 -2.421 185 1HA GLY 34 1HA GLY 34 5.594 -4.861 -2.309 186 2HA GLY 34 2HA GLY 34 5.005 -6.453 -2.715 187 H CYS 35 H CYS 35 7.072 -4.576 -4.957 188 HA CYS 35 HA CYS 35 5.099 -3.483 -6.606 189 1HB CYS 35 1HB CYS 35 7.728 -4.747 -7.478 190 2HB CYS 35 2HB CYS 35 6.779 -3.586 -8.405 191 H SER 36 H SER 36 5.981 -6.938 -6.352 192 HA SER 36 HA SER 36 4.767 -7.660 -8.868 193 1HB SER 36 1HB SER 36 5.298 -9.868 -8.141 194 2HB SER 36 2HB SER 36 6.635 -8.801 -7.732 195 HG SER 36 HG SER 36 5.995 -8.838 -5.593 196 H ASN 37 H ASN 37 3.673 -6.974 -5.688 197 HA ASN 37 HA ASN 37 1.339 -8.765 -5.754 198 1HB ASN 37 1HB ASN 37 2.967 -7.527 -3.633 199 2HB ASN 37 2HB ASN 37 1.297 -7.121 -3.418 200 1HD2 ASN 37 2HD2 ASN 37 -0.285 -8.660 -2.980 201 2HD2 ASN 37 1HD2 ASN 37 0.064 -10.321 -2.655 202 H SER 38 H SER 38 0.154 -7.806 -7.508 203 HA SER 38 HA SER 38 -0.176 -5.167 -8.089 204 1HB SER 38 1HB SER 38 -0.785 -7.009 -9.501 205 2HB SER 38 2HB SER 38 -2.173 -7.403 -8.458 206 HG SER 38 HG SER 38 -3.166 -5.596 -9.041 207 H ASP 39 H ASP 39 -1.891 -6.907 -5.475 208 HA ASP 39 HA ASP 39 -3.938 -4.966 -4.942 209 1HB ASP 39 1HB ASP 39 -3.921 -7.269 -4.037 210 2HB ASP 39 2HB ASP 39 -2.542 -6.875 -3.014 211 H CYS 40 H CYS 40 -0.520 -5.024 -4.171 212 HA CYS 40 HA CYS 40 -0.620 -2.646 -2.389 213 1HB CYS 40 1HB CYS 40 1.520 -4.766 -2.945 214 2HB CYS 40 2HB CYS 40 1.828 -3.282 -2.073 215 H THR 41 H THR 41 0.372 -3.861 -5.595 216 HA THR 41 HA THR 41 2.557 -2.329 -6.023 217 HB THR 41 HB THR 41 0.437 -3.302 -7.937 218 HG1 THR 41 HG1 THR 41 2.652 -4.705 -8.046 219 1HG2 THR 41 1HG2 THR 41 1.885 -1.721 -9.137 220 2HG2 THR 41 2HG2 THR 41 3.312 -2.662 -8.618 221 3HG2 THR 41 3HG2 THR 41 2.040 -3.421 -9.646 222 H ALA 42 H ALA 42 -0.822 -1.269 -7.016 223 HA ALA 42 HA ALA 42 0.222 1.137 -8.196 224 1HB ALA 42 1HB ALA 42 -2.040 0.153 -8.692 225 2HB ALA 42 2HB ALA 42 -2.583 0.713 -7.086 226 3HB ALA 42 3HB ALA 42 -2.062 1.880 -8.308 227 H PHE 43 H PHE 43 -0.849 0.362 -4.903 228 HA PHE 43 HA PHE 43 -0.667 2.965 -3.752 229 1HB PHE 43 1HB PHE 43 -1.715 1.031 -2.609 230 2HB PHE 43 2HB PHE 43 -0.198 0.179 -2.643 231 HD1 PHE 43 HD1 PHE 43 -2.151 2.573 -0.690 232 HD2 PHE 43 HD2 PHE 43 1.719 0.822 -1.343 233 HE1 PHE 43 HE1 PHE 43 -1.418 3.278 1.581 234 HE2 PHE 43 HE2 PHE 43 2.493 1.673 0.831 235 HZ PHE 43 HZ PHE 43 0.927 2.835 2.327 236 H LEU 44 H LEU 44 1.865 0.324 -3.939 237 HA LEU 44 HA LEU 44 3.792 2.060 -2.832 238 1HB LEU 44 1HB LEU 44 4.219 -0.463 -4.474 239 2HB LEU 44 2HB LEU 44 5.425 0.340 -3.516 240 HG LEU 44 HG LEU 44 2.872 -0.819 -2.337 241 1HD1 LEU 44 1HD1 LEU 44 5.641 -1.995 -2.632 242 2HD1 LEU 44 2HD1 LEU 44 4.389 -2.652 -1.544 243 3HD1 LEU 44 3HD1 LEU 44 4.121 -2.607 -3.297 244 1HD2 LEU 44 1HD2 LEU 44 3.946 1.049 -1.000 245 2HD2 LEU 44 2HD2 LEU 44 3.784 -0.487 -0.203 246 3HD2 LEU 44 3HD2 LEU 44 5.357 -0.014 -0.862 247 H SER 45 H SER 45 3.006 1.373 -6.252 248 HA SER 45 HA SER 45 4.940 2.775 -7.632 249 1HB SER 45 1HB SER 45 1.972 2.257 -7.882 250 2HB SER 45 2HB SER 45 2.803 3.185 -9.080 251 HG SER 45 HG SER 45 2.725 1.184 -9.766 252 H GLN 46 H GLN 46 2.006 3.999 -5.848 253 HA GLN 46 HA GLN 46 2.665 6.762 -6.505 254 1HB GLN 46 1HB GLN 46 0.650 5.582 -4.529 255 2HB GLN 46 2HB GLN 46 0.911 7.307 -4.792 256 1HG GLN 46 1HG GLN 46 0.465 6.872 -7.284 257 2HG GLN 46 2HG GLN 46 -0.068 5.268 -6.792 258 1HE2 GLN 46 2HE2 GLN 46 -2.240 5.491 -7.482 259 2HE2 GLN 46 1HE2 GLN 46 -3.292 6.713 -6.823 260 H CYS 47 H CYS 47 2.991 4.712 -3.562 261 HA CYS 47 HA CYS 47 3.949 6.937 -2.043 262 1HB CYS 47 1HB CYS 47 2.918 4.537 -1.347 263 2HB CYS 47 2HB CYS 47 4.625 4.197 -1.021 264 H TYR 48 H TYR 48 5.766 4.010 -3.090 265 HA TYR 48 HA TYR 48 8.338 5.219 -2.385 266 1HB TYR 48 1HB TYR 48 7.522 2.537 -3.381 267 2HB TYR 48 2HB TYR 48 9.194 3.056 -3.210 268 HD1 TYR 48 HD1 TYR 48 6.188 2.039 -1.415 269 HD2 TYR 48 HD2 TYR 48 10.079 3.807 -0.961 270 HE1 TYR 48 HE1 TYR 48 6.434 1.014 0.805 271 HE2 TYR 48 HE2 TYR 48 10.209 2.946 1.359 272 HH TYR 48 HH TYR 48 9.327 0.932 2.541 273 H GLY 49 H GLY 49 6.414 4.524 -5.299 274 1HA GLY 49 1HA GLY 49 8.675 5.391 -7.065 275 2HA GLY 49 2HA GLY 49 6.968 5.612 -7.451 276 H GLY 50 H GLY 50 7.458 2.641 -5.831 277 1HA GLY 50 1HA GLY 50 7.048 1.078 -8.273 278 2HA GLY 50 2HA GLY 50 7.056 0.498 -6.597 279 H CYS 51 H CYS 51 9.071 0.338 -5.526 280 HA CYS 51 HA CYS 51 10.951 -0.749 -5.145 281 1HB CYS 51 1HB CYS 51 10.639 -1.666 -8.013 282 2HB CYS 51 2HB CYS 51 11.908 -2.219 -6.929 No H/Q in entry = 282
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