NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10560 | 1pyc | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 60 3H ILE 60 13.213 -8.731 -5.199 2 2H ILE 60 1H ILE 60 12.692 -8.190 -6.729 3 3H ILE 60 2H ILE 60 14.154 -7.620 -6.081 4 HA ILE 60 HA ILE 60 13.051 -6.476 -4.408 5 HB ILE 60 HB ILE 60 11.520 -4.981 -5.771 6 1HG1 ILE 60 2HG1 ILE 60 10.771 -6.780 -7.459 7 2HG1 ILE 60 1HG1 ILE 60 11.144 -5.131 -8.018 8 1HG2 ILE 60 2HG2 ILE 60 13.911 -4.554 -5.384 9 2HG2 ILE 60 3HG2 ILE 60 14.370 -5.572 -6.796 10 3HG2 ILE 60 1HG2 ILE 60 13.452 -4.039 -7.048 11 1HD1 ILE 60 3HD1 ILE 60 13.341 -5.863 -8.932 12 2HD1 ILE 60 1HD1 ILE 60 13.017 -7.553 -8.392 13 3HD1 ILE 60 2HD1 ILE 60 11.968 -6.787 -9.629 14 HA PRO 61 HA PRO 61 9.074 -8.151 -3.326 15 1HB PRO 61 1HB PRO 61 7.958 -6.150 -1.750 16 2HB PRO 61 2HB PRO 61 9.369 -7.139 -1.192 17 1HG PRO 61 2HG PRO 61 9.411 -4.355 -2.471 18 2HG PRO 61 1HG PRO 61 10.295 -4.928 -0.995 19 1HD PRO 61 2HD PRO 61 11.481 -4.835 -3.508 20 2HD PRO 61 1HD PRO 61 11.875 -6.169 -2.326 21 H LEU 62 H LEU 62 6.663 -7.641 -3.532 22 HA LEU 62 HA LEU 62 6.205 -6.269 -6.007 23 1HB LEU 62 1HB LEU 62 4.338 -7.667 -4.005 24 2HB LEU 62 2HB LEU 62 3.769 -6.961 -5.552 25 HG LEU 62 HG LEU 62 5.821 -9.239 -5.335 26 1HD1 LEU 62 3HD2 LEU 62 2.810 -9.256 -5.974 27 2HD1 LEU 62 1HD2 LEU 62 3.919 -10.674 -6.135 28 3HD1 LEU 62 2HD2 LEU 62 3.604 -9.945 -4.512 29 1HD2 LEU 62 2HD1 LEU 62 4.403 -7.890 -7.718 30 2HD2 LEU 62 3HD1 LEU 62 6.178 -8.000 -7.418 31 3HD2 LEU 62 1HD1 LEU 62 5.249 -9.488 -7.826 32 H SER 63 H SER 63 4.099 -4.916 -6.071 33 HA SER 63 HA SER 63 3.391 -3.422 -3.812 34 1HB SER 63 1HB SER 63 5.653 -2.208 -4.255 35 2HB SER 63 2HB SER 63 5.194 -2.076 -5.994 36 HG SER 63 HG SER 63 4.841 -0.185 -4.823 37 H CYS 64 H CYS 64 1.605 -2.019 -4.387 38 HA CYS 64 HA CYS 64 0.407 -3.083 -6.731 39 1HB CYS 64 1HB CYS 64 -1.645 -2.292 -5.870 40 2HB CYS 64 2HB CYS 64 -0.765 -2.982 -4.503 41 H THR 65 H THR 65 -1.039 -1.408 -7.972 42 HA THR 65 HA THR 65 1.055 -0.336 -9.425 43 HB THR 65 HB THR 65 -0.615 0.212 -11.138 44 HG1 THR 65 HG1 THR 65 -2.771 -0.228 -10.629 45 1HG2 THR 65 2HG2 THR 65 0.208 -2.191 -10.786 46 2HG2 THR 65 3HG2 THR 65 -1.214 -2.483 -9.724 47 3HG2 THR 65 1HG2 THR 65 -1.466 -2.096 -11.459 48 H ILE 66 H ILE 66 -1.137 1.237 -7.167 49 HA ILE 66 HA ILE 66 -0.508 3.821 -8.340 50 HB ILE 66 HB ILE 66 -1.817 3.973 -5.805 51 1HG1 ILE 66 2HG1 ILE 66 -4.108 3.431 -6.858 52 2HG1 ILE 66 1HG1 ILE 66 -3.248 2.368 -8.019 53 1HG2 ILE 66 2HG2 ILE 66 -1.372 5.804 -7.398 54 2HG2 ILE 66 3HG2 ILE 66 -2.398 4.997 -8.650 55 3HG2 ILE 66 1HG2 ILE 66 -3.144 5.614 -7.122 56 1HD1 ILE 66 3HD1 ILE 66 -2.834 2.134 -4.977 57 2HD1 ILE 66 1HD1 ILE 66 -4.216 1.320 -5.797 58 3HD1 ILE 66 2HD1 ILE 66 -2.530 0.880 -6.240 59 H CYS 67 H CYS 67 0.143 1.701 -5.588 60 HA CYS 67 HA CYS 67 1.323 3.648 -3.967 61 1HB CYS 67 1HB CYS 67 1.741 0.615 -4.034 62 2HB CYS 67 2HB CYS 67 2.550 1.688 -2.855 63 H ARG 68 H ARG 68 2.612 1.720 -6.667 64 HA ARG 68 HA ARG 68 5.297 2.311 -5.993 65 1HB ARG 68 1HB ARG 68 4.409 0.341 -7.400 66 2HB ARG 68 2HB ARG 68 4.260 1.513 -8.754 67 1HG ARG 68 2HG ARG 68 6.733 1.934 -8.642 68 2HG ARG 68 1HG ARG 68 6.842 0.914 -7.163 69 1HD ARG 68 2HD ARG 68 6.105 -1.093 -8.492 70 2HD ARG 68 1HD ARG 68 6.074 -0.062 -9.994 71 HE ARG 68 HE ARG 68 8.622 0.301 -8.765 72 1HH1 ARG 68 1HH1 ARG 68 6.657 -2.289 -10.231 73 2HH1 ARG 68 2HH1 ARG 68 8.015 -3.198 -10.804 74 1HH2 ARG 68 1HH2 ARG 68 10.463 -0.942 -9.546 75 2HH2 ARG 68 2HH2 ARG 68 10.209 -2.422 -10.408 76 H LYS 69 H LYS 69 2.699 3.982 -7.738 77 HA LYS 69 HA LYS 69 4.472 5.649 -9.204 78 1HB LYS 69 1HB LYS 69 1.473 5.915 -8.671 79 2HB LYS 69 2HB LYS 69 2.430 7.016 -9.725 80 1HG LYS 69 2HG LYS 69 2.161 3.985 -10.195 81 2HG LYS 69 1HG LYS 69 1.127 5.239 -10.965 82 1HD LYS 69 2HD LYS 69 3.168 6.276 -11.993 83 2HD LYS 69 1HD LYS 69 4.184 4.974 -11.277 84 1HE LYS 69 2HE LYS 69 2.931 3.248 -12.587 85 2HE LYS 69 1HE LYS 69 1.890 4.549 -13.305 86 1HZ LYS 69 1HZ LYS 69 4.846 4.331 -13.552 87 2HZ LYS 69 2HZ LYS 69 3.700 3.939 -14.743 88 3HZ LYS 69 3HZ LYS 69 3.869 5.547 -14.224 89 H ARG 70 H ARG 70 2.517 6.085 -6.093 90 HA ARG 70 HA ARG 70 3.400 8.742 -5.908 91 1HB ARG 70 1HB ARG 70 2.723 7.038 -3.491 92 2HB ARG 70 2HB ARG 70 2.405 8.775 -3.773 93 1HG ARG 70 2HG ARG 70 0.887 6.368 -4.923 94 2HG ARG 70 1HG ARG 70 0.350 7.493 -3.669 95 1HD ARG 70 2HD ARG 70 0.383 9.383 -5.409 96 2HD ARG 70 1HD ARG 70 0.665 8.112 -6.678 97 HE ARG 70 HE ARG 70 -1.522 7.252 -5.059 98 1HH1 ARG 70 1HH1 ARG 70 -0.656 9.942 -7.233 99 2HH1 ARG 70 2HH1 ARG 70 -2.288 10.285 -7.700 100 1HH2 ARG 70 1HH2 ARG 70 -3.736 7.724 -5.694 101 2HH2 ARG 70 2HH2 ARG 70 -4.064 9.005 -6.812 102 H LYS 71 H LYS 71 4.496 5.531 -4.978 103 HA LYS 71 HA LYS 71 6.215 4.683 -4.214 104 1HB LYS 71 2HB LYS 71 7.564 6.378 -5.569 105 2HB LYS 71 1HB LYS 71 7.743 7.329 -4.055 106 1HG LYS 71 2HG LYS 71 9.713 5.927 -4.516 107 2HG LYS 71 1HG LYS 71 8.923 5.390 -2.991 108 1HD LYS 71 2HD LYS 71 7.977 3.427 -4.079 109 2HD LYS 71 1HD LYS 71 8.398 4.050 -5.708 110 1HE LYS 71 2HE LYS 71 10.848 3.789 -5.167 111 2HE LYS 71 1HE LYS 71 10.408 3.173 -3.518 112 1HZ LYS 71 1HZ LYS 71 9.212 1.377 -4.572 113 2HZ LYS 71 2HZ LYS 71 9.628 1.953 -6.116 114 3HZ LYS 71 3HZ LYS 71 10.838 1.401 -5.060 115 H VAL 72 H VAL 72 4.457 4.537 -2.637 116 HA VAL 72 HA VAL 72 5.366 5.476 -0.049 117 HB VAL 72 HB VAL 72 2.955 4.906 0.585 118 1HG1 VAL 72 1HG1 VAL 72 3.856 7.239 0.489 119 2HG1 VAL 72 2HG1 VAL 72 3.441 7.338 -1.263 120 3HG1 VAL 72 3HG1 VAL 72 2.131 7.189 -0.036 121 1HG2 VAL 72 1HG2 VAL 72 2.500 5.140 -2.466 122 2HG2 VAL 72 2HG2 VAL 72 2.259 3.666 -1.453 123 3HG2 VAL 72 3HG2 VAL 72 1.225 5.107 -1.210 124 H LYS 73 H LYS 73 4.750 3.652 1.559 125 HA LYS 73 HA LYS 73 5.757 1.248 0.347 126 1HB LYS 73 2HB LYS 73 5.178 2.132 3.190 127 2HB LYS 73 1HB LYS 73 5.221 0.376 2.809 128 1HG LYS 73 2HG LYS 73 7.405 1.107 3.638 129 2HG LYS 73 1HG LYS 73 7.496 0.513 1.943 130 1HD LYS 73 2HD LYS 73 7.607 2.856 1.107 131 2HD LYS 73 1HD LYS 73 7.414 3.479 2.787 132 1HE LYS 73 2HE LYS 73 9.798 3.581 2.092 133 2HE LYS 73 1HE LYS 73 9.611 2.348 3.408 134 1HZ LYS 73 1HZ LYS 73 9.731 1.802 0.486 135 2HZ LYS 73 2HZ LYS 73 10.978 1.559 1.613 136 3HZ LYS 73 3HZ LYS 73 9.551 0.642 1.714 137 H CYS 74 H CYS 74 4.504 -0.099 -0.700 138 HA CYS 74 HA CYS 74 1.797 -0.478 -0.288 139 1HB CYS 74 1HB CYS 74 3.386 -1.130 -2.250 140 2HB CYS 74 2HB CYS 74 3.801 -2.576 -1.265 141 H ASP 75 H ASP 75 0.873 -2.754 0.435 142 HA ASP 75 HA ASP 75 2.135 -3.064 3.106 143 1HB ASP 75 2HB ASP 75 -0.824 -2.497 2.543 144 2HB ASP 75 1HB ASP 75 -0.151 -2.994 4.142 145 H LYS 76 H LYS 76 -0.167 -4.198 0.673 146 HA LYS 76 HA LYS 76 -0.817 -6.151 0.036 147 1HB LYS 76 1HB LYS 76 1.342 -7.510 1.735 148 2HB LYS 76 2HB LYS 76 0.236 -8.292 0.564 149 1HG LYS 76 2HG LYS 76 2.182 -8.169 -0.605 150 2HG LYS 76 1HG LYS 76 1.232 -6.800 -1.271 151 1HD LYS 76 2HD LYS 76 2.583 -5.189 0.032 152 2HD LYS 76 1HD LYS 76 3.407 -6.529 0.913 153 1HE LYS 76 2HE LYS 76 3.596 -6.035 -2.128 154 2HE LYS 76 1HE LYS 76 4.823 -5.497 -0.904 155 1HZ LYS 76 2HZ LYS 76 3.993 -8.302 -1.427 156 2HZ LYS 76 3HZ LYS 76 5.427 -7.557 -1.949 157 3HZ LYS 76 1HZ LYS 76 5.146 -7.788 -0.290 158 H LEU 77 H LEU 77 -2.233 -4.850 2.020 159 HA LEU 77 HA LEU 77 -3.005 -6.996 3.842 160 1HB LEU 77 2HB LEU 77 -4.518 -4.377 3.292 161 2HB LEU 77 1HB LEU 77 -4.818 -5.561 4.600 162 HG LEU 77 HG LEU 77 -2.721 -3.390 4.354 163 1HD1 LEU 77 2HD2 LEU 77 -4.645 -4.382 6.561 164 2HD1 LEU 77 3HD2 LEU 77 -3.528 -2.982 6.728 165 3HD1 LEU 77 1HD2 LEU 77 -4.858 -2.933 5.505 166 1HD2 LEU 77 3HD1 LEU 77 -2.386 -5.814 6.225 167 2HD2 LEU 77 1HD1 LEU 77 -1.265 -5.284 4.902 168 3HD2 LEU 77 2HD1 LEU 77 -1.508 -4.237 6.337 169 H ARG 78 H ARG 78 -4.696 -8.405 3.244 170 HA ARG 78 HA ARG 78 -5.824 -7.942 0.621 171 1HB ARG 78 2HB ARG 78 -5.981 -10.211 2.637 172 2HB ARG 78 1HB ARG 78 -7.268 -10.019 1.397 173 1HG ARG 78 2HG ARG 78 -5.613 -11.623 0.603 174 2HG ARG 78 1HG ARG 78 -5.640 -10.158 -0.438 175 1HD ARG 78 2HD ARG 78 -3.517 -9.343 0.607 176 2HD ARG 78 1HD ARG 78 -3.510 -10.787 1.719 177 HE ARG 78 HE ARG 78 -3.756 -11.660 -1.027 178 1HH1 ARG 78 1HH1 ARG 78 -1.473 -10.150 1.258 179 2HH1 ARG 78 2HH1 ARG 78 -0.054 -10.750 0.467 180 1HH2 ARG 78 1HH2 ARG 78 -1.823 -12.472 -2.099 181 2HH2 ARG 78 2HH2 ARG 78 -0.255 -12.089 -1.468 182 HA PRO 79 HA PRO 79 -7.941 -7.926 -0.381 183 1HB PRO 79 2HB PRO 79 -9.867 -6.004 -1.085 184 2HB PRO 79 1HB PRO 79 -10.262 -7.653 -0.452 185 1HG PRO 79 2HG PRO 79 -10.137 -5.021 1.115 186 2HG PRO 79 1HG PRO 79 -11.385 -6.334 1.203 187 1HD PRO 79 2HD PRO 79 -9.289 -6.113 3.018 188 2HD PRO 79 1HD PRO 79 -9.886 -7.747 2.465 189 H HIS 80 H HIS 80 -8.279 -4.453 0.746 190 HA HIS 80 HA HIS 80 -6.184 -3.762 -1.191 191 1HB HIS 80 2HB HIS 80 -7.270 -1.351 -0.611 192 2HB HIS 80 1HB HIS 80 -7.904 -2.324 -1.952 193 HD1 HIS 80 HD1 HIS 80 -10.157 -3.883 -1.311 194 HD2 HIS 80 HD2 HIS 80 -9.118 -0.550 0.934 195 HE1 HIS 80 HE1 HIS 80 -12.265 -3.118 -0.081 196 H CYS 81 H CYS 81 -4.682 -2.081 -0.516 197 HA CYS 81 HA CYS 81 -3.641 -2.640 1.976 198 1HB CYS 81 2HB CYS 81 -3.036 -0.093 0.414 199 2HB CYS 81 1HB CYS 81 -1.917 -1.050 1.416 200 H GLN 82 H GLN 82 -2.734 -0.826 3.334 201 HA GLN 82 HA GLN 82 -4.769 0.692 4.545 202 1HB GLN 82 2HB GLN 82 -1.717 0.971 4.707 203 2HB GLN 82 1HB GLN 82 -2.876 1.784 5.815 204 1HG GLN 82 2HG GLN 82 -3.594 -0.355 6.766 205 2HG GLN 82 1HG GLN 82 -2.745 -1.273 5.462 206 1HE2 GLN 82 2HE2 GLN 82 0.074 -1.750 7.355 207 2HE2 GLN 82 1HE2 GLN 82 -1.186 -2.369 6.330 208 H GLN 83 H GLN 83 -2.461 1.358 1.900 209 HA GLN 83 HA GLN 83 -2.618 4.112 1.958 210 1HB GLN 83 2HB GLN 83 -1.996 2.322 -0.124 211 2HB GLN 83 1HB GLN 83 -1.788 4.083 -0.271 212 1HG GLN 83 2HG GLN 83 -0.299 2.154 1.656 213 2HG GLN 83 1HG GLN 83 0.413 3.015 0.245 214 1HE2 GLN 83 2HE2 GLN 83 0.136 6.332 1.840 215 2HE2 GLN 83 1HE2 GLN 83 -0.245 5.559 0.336 216 H CYS 84 H CYS 84 -4.144 1.777 -0.438 217 HA CYS 84 HA CYS 84 -5.803 3.470 -1.515 218 1HB CYS 84 2HB CYS 84 -5.879 0.420 -1.186 219 2HB CYS 84 1HB CYS 84 -6.567 1.362 -2.550 220 H THR 85 H THR 85 -6.351 1.870 1.605 221 HA THR 85 HA THR 85 -9.179 2.102 1.377 222 HB THR 85 HB THR 85 -7.455 2.096 3.908 223 HG1 THR 85 HG1 THR 85 -7.302 0.248 2.611 224 1HG2 THR 85 2HG2 THR 85 -10.489 1.634 3.426 225 2HG2 THR 85 3HG2 THR 85 -9.629 1.268 4.963 226 3HG2 THR 85 1HG2 THR 85 -9.767 2.964 4.412 227 H LYS 86 H LYS 86 -6.462 4.148 2.617 228 HA LYS 86 HA LYS 86 -8.117 6.072 3.718 229 1HB LYS 86 1HB LYS 86 -5.246 5.994 3.121 230 2HB LYS 86 2HB LYS 86 -6.030 7.435 3.840 231 1HG LYS 86 2HG LYS 86 -6.841 6.035 5.759 232 2HG LYS 86 1HG LYS 86 -6.088 4.586 5.023 233 1HD LYS 86 2HD LYS 86 -4.641 5.359 6.799 234 2HD LYS 86 1HD LYS 86 -3.824 5.636 5.219 235 1HE LYS 86 2HE LYS 86 -3.476 7.555 6.783 236 2HE LYS 86 1HE LYS 86 -4.450 8.093 5.356 237 1HZ LYS 86 3HZ LYS 86 -5.512 7.322 8.026 238 2HZ LYS 86 1HZ LYS 86 -5.346 8.899 7.416 239 3HZ LYS 86 2HZ LYS 86 -6.434 7.816 6.688 240 H THR 87 H THR 87 -6.487 5.882 0.443 241 HA THR 87 HA THR 87 -7.376 8.604 0.022 242 HB THR 87 HB THR 87 -5.226 8.294 -0.861 243 HG1 THR 87 HG1 THR 87 -7.155 8.124 -2.924 244 1HG2 THR 87 1HG2 THR 87 -6.354 5.809 -2.320 245 2HG2 THR 87 2HG2 THR 87 -4.778 6.593 -2.683 246 3HG2 THR 87 3HG2 THR 87 -5.060 5.862 -1.074 247 H GLY 88 H GLY 88 -8.244 5.208 -0.707 248 1HA GLY 88 1HA GLY 88 -10.367 4.595 -1.057 249 2HA GLY 88 2HA GLY 88 -10.795 6.277 -1.576 250 H VAL 89 H VAL 89 -7.959 4.388 -2.593 251 HA VAL 89 HA VAL 89 -9.144 4.217 -5.243 252 HB VAL 89 HB VAL 89 -7.045 4.267 -6.302 253 1HG1 VAL 89 1HG2 VAL 89 -8.122 6.437 -5.750 254 2HG1 VAL 89 2HG2 VAL 89 -7.193 6.532 -4.211 255 3HG1 VAL 89 3HG2 VAL 89 -6.324 6.568 -5.785 256 1HG2 VAL 89 3HG1 VAL 89 -5.841 3.938 -3.481 257 2HG2 VAL 89 1HG1 VAL 89 -5.557 3.089 -5.068 258 3HG2 VAL 89 2HG1 VAL 89 -4.921 4.753 -4.810 259 H ALA 90 H ALA 90 -9.910 2.367 -3.280 260 HA ALA 90 HA ALA 90 -8.147 0.196 -3.151 261 1HB ALA 90 1HB ALA 90 -11.209 0.250 -2.932 262 2HB ALA 90 2HB ALA 90 -10.154 -1.159 -2.546 263 3HB ALA 90 3HB ALA 90 -10.037 0.357 -1.551 264 H HIS 91 H HIS 91 -10.405 1.372 -5.522 265 HA HIS 91 HA HIS 91 -10.927 -0.920 -7.002 266 1HB HIS 91 1HB HIS 91 -11.881 0.602 -8.571 267 2HB HIS 91 2HB HIS 91 -11.997 1.410 -6.944 268 HD1 HIS 91 HD1 HIS 91 -10.092 3.266 -6.384 269 HD2 HIS 91 HD2 HIS 91 -11.437 2.550 -10.266 270 HE1 HIS 91 HE1 HIS 91 -9.789 5.427 -7.712 271 H LEU 92 H LEU 92 -8.309 1.483 -6.902 272 HA LEU 92 HA LEU 92 -7.154 0.168 -9.254 273 1HB LEU 92 2HB LEU 92 -6.013 2.525 -7.652 274 2HB LEU 92 1HB LEU 92 -5.360 1.881 -9.203 275 HG LEU 92 HG LEU 92 -7.966 3.388 -8.717 276 1HD1 LEU 92 1HD1 LEU 92 -5.921 4.766 -9.022 277 2HD1 LEU 92 2HD1 LEU 92 -5.584 3.942 -10.592 278 3HD1 LEU 92 3HD1 LEU 92 -7.060 4.964 -10.407 279 1HD2 LEU 92 3HD2 LEU 92 -7.136 1.801 -11.218 280 2HD2 LEU 92 1HD2 LEU 92 -8.564 1.519 -10.157 281 3HD2 LEU 92 2HD2 LEU 92 -8.485 3.013 -11.170 282 H CYS 93 H CYS 93 -7.403 -0.725 -6.342 283 HA CYS 93 HA CYS 93 -4.560 -1.157 -5.809 284 1HB CYS 93 1HB CYS 93 -6.121 -0.766 -3.872 285 2HB CYS 93 2HB CYS 93 -6.880 -2.353 -4.218 286 H HIS 94 H HIS 94 -3.628 -2.575 -7.249 287 HA HIS 94 HA HIS 94 -4.473 -5.303 -6.804 288 1HB HIS 94 2HB HIS 94 -3.853 -4.208 -9.620 289 2HB HIS 94 1HB HIS 94 -4.077 -5.942 -9.172 290 HD1 HIS 94 HD1 HIS 94 -6.654 -6.517 -8.317 291 HD2 HIS 94 HD2 HIS 94 -6.172 -2.833 -10.268 292 HE1 HIS 94 HE1 HIS 94 -8.969 -5.648 -8.960 293 H TYR 95 H TYR 95 -2.639 -6.568 -6.573 294 HA TYR 95 HA TYR 95 -0.161 -5.052 -6.633 295 1HB TYR 95 1HB TYR 95 -0.475 -7.960 -5.724 296 2HB TYR 95 2HB TYR 95 0.916 -6.841 -5.396 297 HD1 TYR 95 HD2 TYR 95 -2.518 -7.751 -4.639 298 HD2 TYR 95 HD1 TYR 95 0.637 -5.007 -3.573 299 HE1 TYR 95 HE2 TYR 95 -3.807 -6.951 -2.709 300 HE2 TYR 95 HE1 TYR 95 -0.634 -4.227 -1.806 301 HH TYR 95 HH TYR 95 -2.592 -4.384 -0.603 302 H MET 96 H MET 96 1.672 -5.777 -7.883 303 HA MET 96 HA MET 96 0.959 -6.670 -10.423 304 1HB MET 96 1HB MET 96 3.594 -6.337 -9.143 305 2HB MET 96 2HB MET 96 3.379 -6.661 -10.895 306 1HG MET 96 2HG MET 96 2.119 -4.542 -11.154 307 2HG MET 96 1HG MET 96 2.182 -4.245 -9.394 308 1HE MET 96 1HE MET 96 2.727 -2.076 -11.206 309 2HE MET 96 2HE MET 96 3.000 -1.958 -9.433 310 3HE MET 96 3HE MET 96 4.237 -1.332 -10.578 311 H GLU 97 H GLU 97 1.338 -8.674 -11.469 312 HA GLU 97 HA GLU 97 1.102 -10.769 -9.560 313 1HB GLU 97 1HB GLU 97 1.126 -11.014 -12.613 314 2HB GLU 97 2HB GLU 97 0.693 -12.283 -11.426 315 1HG GLU 97 2HG GLU 97 -1.384 -11.508 -12.252 316 2HG GLU 97 1HG GLU 97 -1.224 -10.752 -10.621 317 H GLN 98 H GLN 98 2.349 -12.680 -9.462 318 HA GLN 98 HA GLN 98 5.135 -12.070 -10.006 319 1HB GLN 98 2HB GLN 98 4.110 -12.509 -7.640 320 2HB GLN 98 1HB GLN 98 4.058 -14.233 -8.138 321 1HG GLN 98 2HG GLN 98 6.577 -14.194 -8.414 322 2HG GLN 98 1HG GLN 98 6.580 -12.432 -8.013 323 1HE2 GLN 98 2HE2 GLN 98 6.421 -15.321 -5.106 324 2HE2 GLN 98 1HE2 GLN 98 6.627 -15.666 -6.791 325 H THR 99 H THR 99 2.674 -13.644 -11.541 326 HA THR 99 HA THR 99 3.994 -16.127 -11.983 327 HB THR 99 HB THR 99 1.612 -16.191 -12.012 328 HG1 THR 99 HG1 THR 99 2.799 -17.527 -13.397 329 1HG2 THR 99 2HG2 THR 99 1.178 -13.818 -12.828 330 2HG2 THR 99 3HG2 THR 99 1.664 -14.327 -14.489 331 3HG2 THR 99 1HG2 THR 99 0.236 -15.075 -13.702 332 H TRP 100 H TRP 100 3.604 -12.998 -13.738 333 HA TRP 100 HA TRP 100 5.374 -13.972 -15.800 334 1HB TRP 100 1HB TRP 100 5.364 -11.642 -16.666 335 2HB TRP 100 2HB TRP 100 3.718 -12.363 -16.552 336 HD1 TRP 100 HD1 TRP 100 1.987 -11.217 -14.814 337 HE1 TRP 100 HE1 TRP 100 2.005 -8.938 -13.641 338 HE3 TRP 100 HE3 TRP 100 6.852 -10.007 -15.588 339 HZ2 TRP 100 HZ2 TRP 100 3.874 -6.883 -13.119 340 HZ3 TRP 100 HZ3 TRP 100 7.700 -7.876 -14.722 341 HH2 TRP 100 HH2 TRP 100 6.240 -6.340 -13.502 No H/Q in entry = 341 Start of MODEL 2 1 1H ILE 60 2H ILE 60 9.172 -8.358 -3.423 2 2H ILE 60 3H ILE 60 9.814 -8.495 -1.855 3 3H ILE 60 1H ILE 60 10.663 -9.132 -3.180 4 HA ILE 60 HA ILE 60 8.968 -10.687 -3.571 5 HB ILE 60 HB ILE 60 10.157 -10.806 -0.911 6 1HG1 ILE 60 2HG1 ILE 60 10.846 -12.087 -3.619 7 2HG1 ILE 60 1HG1 ILE 60 11.617 -10.598 -2.983 8 1HG2 ILE 60 2HG2 ILE 60 8.641 -12.966 -2.527 9 2HG2 ILE 60 3HG2 ILE 60 9.701 -13.330 -1.120 10 3HG2 ILE 60 1HG2 ILE 60 8.216 -12.373 -0.871 11 1HD1 ILE 60 2HD1 ILE 60 12.494 -11.879 -1.006 12 2HD1 ILE 60 3HD1 ILE 60 11.814 -13.397 -1.709 13 3HD1 ILE 60 1HD1 ILE 60 13.100 -12.497 -2.587 14 HA PRO 61 HA PRO 61 5.235 -9.487 -1.007 15 1HB PRO 61 2HB PRO 61 6.221 -6.794 0.028 16 2HB PRO 61 1HB PRO 61 5.036 -7.912 0.824 17 1HG PRO 61 2HG PRO 61 7.609 -7.723 1.759 18 2HG PRO 61 1HG PRO 61 6.814 -9.347 1.606 19 1HD PRO 61 2HD PRO 61 8.793 -8.038 -0.340 20 2HD PRO 61 1HD PRO 61 8.722 -9.760 0.259 21 H LEU 62 H LEU 62 3.814 -8.540 -2.532 22 HA LEU 62 HA LEU 62 5.098 -7.035 -4.593 23 1HB LEU 62 1HB LEU 62 2.102 -7.570 -4.207 24 2HB LEU 62 2HB LEU 62 2.877 -6.881 -5.668 25 HG LEU 62 HG LEU 62 3.023 -9.759 -4.651 26 1HD1 LEU 62 1HD1 LEU 62 2.058 -8.368 -7.232 27 2HD1 LEU 62 2HD1 LEU 62 2.067 -10.163 -6.974 28 3HD1 LEU 62 3HD1 LEU 62 1.017 -9.100 -5.957 29 1HD2 LEU 62 2HD2 LEU 62 4.687 -8.463 -6.894 30 2HD2 LEU 62 3HD2 LEU 62 5.320 -9.246 -5.396 31 3HD2 LEU 62 1HD2 LEU 62 4.496 -10.240 -6.649 32 H SER 63 H SER 63 4.399 -5.001 -5.371 33 HA SER 63 HA SER 63 3.117 -3.346 -3.312 34 1HB SER 63 2HB SER 63 5.079 -2.488 -5.545 35 2HB SER 63 1HB SER 63 4.221 -1.358 -4.426 36 HG SER 63 HG SER 63 5.281 -2.437 -2.710 37 H CYS 64 H CYS 64 1.663 -1.722 -4.177 38 HA CYS 64 HA CYS 64 0.391 -2.853 -6.528 39 1HB CYS 64 2HB CYS 64 -1.594 -1.670 -6.121 40 2HB CYS 64 1HB CYS 64 -1.099 -2.426 -4.584 41 H THR 65 H THR 65 -0.594 -1.157 -8.042 42 HA THR 65 HA THR 65 1.662 -0.182 -9.322 43 HB THR 65 HB THR 65 0.250 -0.738 -10.975 44 HG1 THR 65 HG1 THR 65 -1.033 0.968 -11.664 45 1HG2 THR 65 1HG2 THR 65 -2.066 -0.132 -9.005 46 2HG2 THR 65 2HG2 THR 65 -2.275 -0.726 -10.690 47 3HG2 THR 65 3HG2 THR 65 -1.418 -1.757 -9.502 48 H ILE 66 H ILE 66 -0.775 1.426 -7.302 49 HA ILE 66 HA ILE 66 0.012 4.020 -8.144 50 HB ILE 66 HB ILE 66 -1.384 3.531 -5.626 51 1HG1 ILE 66 2HG1 ILE 66 -2.647 3.516 -8.441 52 2HG1 ILE 66 1HG1 ILE 66 -2.538 2.094 -7.337 53 1HG2 ILE 66 1HG2 ILE 66 -0.580 5.860 -6.186 54 2HG2 ILE 66 2HG2 ILE 66 -1.396 5.753 -7.775 55 3HG2 ILE 66 3HG2 ILE 66 -2.365 5.797 -6.257 56 1HD1 ILE 66 2HD1 ILE 66 -3.929 3.296 -5.640 57 2HD1 ILE 66 3HD1 ILE 66 -4.172 4.642 -6.816 58 3HD1 ILE 66 1HD1 ILE 66 -4.780 2.990 -7.193 59 H CYS 67 H CYS 67 0.771 1.778 -5.432 60 HA CYS 67 HA CYS 67 2.182 3.759 -3.993 61 1HB CYS 67 1HB CYS 67 2.190 0.702 -3.832 62 2HB CYS 67 2HB CYS 67 3.151 1.753 -2.737 63 H ARG 68 H ARG 68 3.045 1.668 -6.691 64 HA ARG 68 HA ARG 68 5.848 1.973 -6.171 65 1HB ARG 68 2HB ARG 68 4.621 -0.038 -7.322 66 2HB ARG 68 1HB ARG 68 4.591 1.008 -8.781 67 1HG ARG 68 2HG ARG 68 7.123 1.106 -8.700 68 2HG ARG 68 1HG ARG 68 7.090 0.141 -7.180 69 1HD ARG 68 2HD ARG 68 5.995 -1.769 -8.452 70 2HD ARG 68 1HD ARG 68 6.186 -0.799 -9.982 71 HE ARG 68 HE ARG 68 8.707 -0.948 -8.540 72 1HH1 ARG 68 1HH1 ARG 68 6.420 -2.870 -10.490 73 2HH1 ARG 68 2HH1 ARG 68 7.616 -3.984 -11.064 74 1HH2 ARG 68 1HH2 ARG 68 10.324 -2.465 -9.322 75 2HH2 ARG 68 2HH2 ARG 68 9.869 -3.751 -10.389 76 H LYS 69 H LYS 69 3.259 3.797 -7.648 77 HA LYS 69 HA LYS 69 4.897 5.066 -9.598 78 1HB LYS 69 2HB LYS 69 2.431 4.737 -9.899 79 2HB LYS 69 1HB LYS 69 2.134 5.876 -8.542 80 1HG LYS 69 2HG LYS 69 3.162 7.730 -9.847 81 2HG LYS 69 1HG LYS 69 3.622 6.571 -11.147 82 1HD LYS 69 2HD LYS 69 1.205 6.102 -11.580 83 2HD LYS 69 1HD LYS 69 0.744 7.190 -10.226 84 1HE LYS 69 2HE LYS 69 0.462 8.376 -12.390 85 2HE LYS 69 1HE LYS 69 1.824 9.135 -11.464 86 1HZ LYS 69 3HZ LYS 69 2.085 7.116 -13.632 87 2HZ LYS 69 1HZ LYS 69 2.366 8.785 -13.771 88 3HZ LYS 69 2HZ LYS 69 3.361 7.837 -12.772 89 H ARG 70 H ARG 70 3.377 5.998 -6.376 90 HA ARG 70 HA ARG 70 4.666 8.495 -6.458 91 1HB ARG 70 1HB ARG 70 3.559 7.122 -3.969 92 2HB ARG 70 2HB ARG 70 3.652 8.877 -4.322 93 1HG ARG 70 2HG ARG 70 1.759 6.788 -5.519 94 2HG ARG 70 1HG ARG 70 1.335 8.074 -4.376 95 1HD ARG 70 2HD ARG 70 1.684 9.815 -6.109 96 2HD ARG 70 1HD ARG 70 2.269 8.561 -7.291 97 HE ARG 70 HE ARG 70 -0.352 7.895 -6.202 98 1HH1 ARG 70 1HH1 ARG 70 1.397 9.982 -8.508 99 2HH1 ARG 70 2HH1 ARG 70 0.053 10.172 -9.582 100 1HH2 ARG 70 1HH2 ARG 70 -2.176 8.162 -7.668 101 2HH2 ARG 70 2HH2 ARG 70 -2.007 9.124 -9.097 102 H LYS 71 H LYS 71 5.250 5.268 -5.151 103 HA LYS 71 HA LYS 71 6.828 4.316 -4.139 104 1HB LYS 71 1HB LYS 71 8.503 5.628 -5.520 105 2HB LYS 71 2HB LYS 71 8.706 6.691 -4.084 106 1HG LYS 71 2HG LYS 71 8.761 3.902 -3.189 107 2HG LYS 71 1HG LYS 71 9.758 4.024 -4.649 108 1HD LYS 71 2HD LYS 71 11.015 5.973 -3.521 109 2HD LYS 71 1HD LYS 71 9.932 5.743 -2.093 110 1HE LYS 71 2HE LYS 71 12.152 4.666 -1.695 111 2HE LYS 71 1HE LYS 71 10.856 3.402 -1.798 112 1HZ LYS 71 1HZ LYS 71 11.482 3.041 -4.091 113 2HZ LYS 71 2HZ LYS 71 12.703 4.216 -3.984 114 3HZ LYS 71 3HZ LYS 71 12.800 2.803 -3.048 115 H VAL 72 H VAL 72 5.118 4.391 -2.666 116 HA VAL 72 HA VAL 72 5.944 5.505 -0.128 117 HB VAL 72 HB VAL 72 3.517 5.213 0.468 118 1HG1 VAL 72 2HG2 VAL 72 4.560 7.483 -0.001 119 2HG1 VAL 72 3HG2 VAL 72 4.079 7.296 -1.739 120 3HG1 VAL 72 1HG2 VAL 72 2.812 7.418 -0.468 121 1HG2 VAL 72 1HG1 VAL 72 2.773 3.768 -1.414 122 2HG2 VAL 72 2HG1 VAL 72 1.812 5.278 -1.345 123 3HG2 VAL 72 3HG1 VAL 72 3.099 5.110 -2.584 124 H LYS 73 H LYS 73 5.036 3.862 1.555 125 HA LYS 73 HA LYS 73 5.978 1.318 0.633 126 1HB LYS 73 1HB LYS 73 6.635 2.293 2.864 127 2HB LYS 73 2HB LYS 73 4.923 2.205 3.380 128 1HG LYS 73 2HG LYS 73 6.312 0.387 4.336 129 2HG LYS 73 1HG LYS 73 4.962 -0.247 3.350 130 1HD LYS 73 2HD LYS 73 6.996 -1.567 3.006 131 2HD LYS 73 1HD LYS 73 6.535 -0.751 1.478 132 1HE LYS 73 2HE LYS 73 8.335 0.969 1.841 133 2HE LYS 73 1HE LYS 73 8.769 0.173 3.413 134 1HZ LYS 73 3HZ LYS 73 8.839 -1.102 0.728 135 2HZ LYS 73 1HZ LYS 73 10.175 -0.514 1.596 136 3HZ LYS 73 2HZ LYS 73 9.280 -1.824 2.200 137 H CYS 74 H CYS 74 4.621 -0.068 -0.435 138 HA CYS 74 HA CYS 74 1.837 -0.087 0.107 139 1HB CYS 74 1HB CYS 74 3.075 -0.719 -2.108 140 2HB CYS 74 2HB CYS 74 3.480 -2.253 -1.279 141 H ASP 75 H ASP 75 0.859 -2.426 0.667 142 HA ASP 75 HA ASP 75 2.252 -2.967 3.223 143 1HB ASP 75 1HB ASP 75 -0.760 -2.640 2.736 144 2HB ASP 75 2HB ASP 75 -0.002 -3.096 4.300 145 H LYS 76 H LYS 76 -0.012 -4.000 0.703 146 HA LYS 76 HA LYS 76 -0.563 -5.880 -0.132 147 1HB LYS 76 2HB LYS 76 2.100 -6.395 0.439 148 2HB LYS 76 1HB LYS 76 1.289 -7.785 1.208 149 1HG LYS 76 2HG LYS 76 1.072 -6.824 -1.721 150 2HG LYS 76 1HG LYS 76 2.033 -8.217 -1.117 151 1HD LYS 76 2HD LYS 76 -0.133 -9.353 -0.431 152 2HD LYS 76 1HD LYS 76 -1.037 -7.983 -1.177 153 1HE LYS 76 2HE LYS 76 0.123 -8.483 -3.390 154 2HE LYS 76 1HE LYS 76 0.862 -9.949 -2.625 155 1HZ LYS 76 2HZ LYS 76 -1.373 -10.728 -2.147 156 2HZ LYS 76 3HZ LYS 76 -2.042 -9.360 -2.895 157 3HZ LYS 76 1HZ LYS 76 -1.139 -10.471 -3.809 158 H LEU 77 H LEU 77 -1.998 -4.874 2.012 159 HA LEU 77 HA LEU 77 -2.599 -7.097 3.744 160 1HB LEU 77 2HB LEU 77 -4.412 -4.693 3.157 161 2HB LEU 77 1HB LEU 77 -4.524 -5.833 4.533 162 HG LEU 77 HG LEU 77 -2.623 -3.504 4.098 163 1HD1 LEU 77 2HD2 LEU 77 -4.540 -4.432 6.334 164 2HD1 LEU 77 3HD2 LEU 77 -3.502 -2.970 6.433 165 3HD1 LEU 77 1HD2 LEU 77 -4.796 -3.072 5.175 166 1HD2 LEU 77 2HD1 LEU 77 -2.193 -5.740 6.178 167 2HD2 LEU 77 3HD1 LEU 77 -1.088 -5.301 4.811 168 3HD2 LEU 77 1HD1 LEU 77 -1.372 -4.128 6.136 169 H ARG 78 H ARG 78 -4.755 -8.251 3.650 170 HA ARG 78 HA ARG 78 -5.804 -8.260 0.960 171 1HB ARG 78 1HB ARG 78 -6.339 -9.954 3.459 172 2HB ARG 78 2HB ARG 78 -7.244 -10.114 1.925 173 1HG ARG 78 2HG ARG 78 -4.212 -10.563 2.277 174 2HG ARG 78 1HG ARG 78 -5.463 -11.846 2.156 175 1HD ARG 78 2HD ARG 78 -6.027 -11.081 -0.179 176 2HD ARG 78 1HD ARG 78 -4.708 -9.831 -0.079 177 HE ARG 78 HE ARG 78 -3.572 -12.347 0.648 178 1HH1 ARG 78 1HH1 ARG 78 -5.082 -10.708 -2.138 179 2HH1 ARG 78 2HH1 ARG 78 -4.183 -11.588 -3.328 180 1HH2 ARG 78 1HH2 ARG 78 -2.354 -13.536 -0.980 181 2HH2 ARG 78 2HH2 ARG 78 -2.613 -13.215 -2.663 182 HA PRO 79 HA PRO 79 -7.704 -8.164 -0.122 183 1HB PRO 79 1HB PRO 79 -9.642 -6.436 -1.135 184 2HB PRO 79 2HB PRO 79 -10.036 -8.000 -0.311 185 1HG PRO 79 2HG PRO 79 -10.097 -5.180 0.860 186 2HG PRO 79 1HG PRO 79 -11.280 -6.532 1.098 187 1HD PRO 79 2HD PRO 79 -9.233 -5.909 2.923 188 2HD PRO 79 1HD PRO 79 -9.845 -7.610 2.686 189 H HIS 80 H HIS 80 -8.023 -4.675 0.952 190 HA HIS 80 HA HIS 80 -6.088 -4.011 -1.149 191 1HB HIS 80 1HB HIS 80 -8.327 -2.260 0.003 192 2HB HIS 80 2HB HIS 80 -7.216 -1.830 -1.353 193 HD1 HIS 80 HD1 HIS 80 -7.350 -4.000 -3.320 194 HD2 HIS 80 HD2 HIS 80 -10.741 -3.160 -0.993 195 HE1 HIS 80 HE1 HIS 80 -9.389 -4.999 -4.493 196 H CYS 81 H CYS 81 -4.742 -2.071 -0.654 197 HA CYS 81 HA CYS 81 -3.685 -2.626 1.927 198 1HB CYS 81 2HB CYS 81 -1.688 -1.597 1.247 199 2HB CYS 81 1HB CYS 81 -2.279 -2.424 -0.216 200 H GLN 82 H GLN 82 -2.775 -0.777 3.274 201 HA GLN 82 HA GLN 82 -4.793 0.668 4.304 202 1HB GLN 82 1HB GLN 82 -1.893 1.113 4.538 203 2HB GLN 82 2HB GLN 82 -3.110 1.813 5.648 204 1HG GLN 82 2HG GLN 82 -3.792 -0.431 6.416 205 2HG GLN 82 1HG GLN 82 -2.747 -1.219 5.172 206 1HE2 GLN 82 2HE2 GLN 82 -0.309 -1.662 7.593 207 2HE2 GLN 82 1HE2 GLN 82 -1.476 -2.359 6.510 208 H GLN 83 H GLN 83 -2.528 1.733 1.729 209 HA GLN 83 HA GLN 83 -2.928 4.456 1.983 210 1HB GLN 83 2HB GLN 83 -2.280 3.170 -0.423 211 2HB GLN 83 1HB GLN 83 -1.873 4.815 0.075 212 1HG GLN 83 2HG GLN 83 -0.665 2.205 1.252 213 2HG GLN 83 1HG GLN 83 0.160 3.363 0.150 214 1HE2 GLN 83 2HE2 GLN 83 0.590 5.991 2.556 215 2HE2 GLN 83 1HE2 GLN 83 0.247 5.699 0.883 216 H CYS 84 H CYS 84 -4.229 2.130 -0.522 217 HA CYS 84 HA CYS 84 -5.963 3.799 -1.562 218 1HB CYS 84 2HB CYS 84 -5.753 0.740 -1.427 219 2HB CYS 84 1HB CYS 84 -6.659 1.635 -2.677 220 H THR 85 H THR 85 -6.474 1.874 1.362 221 HA THR 85 HA THR 85 -9.297 1.745 0.951 222 HB THR 85 HB THR 85 -7.669 1.439 3.514 223 HG1 THR 85 HG1 THR 85 -7.239 -0.038 1.836 224 1HG2 THR 85 2HG2 THR 85 -10.605 0.763 2.768 225 2HG2 THR 85 3HG2 THR 85 -9.763 0.133 4.228 226 3HG2 THR 85 1HG2 THR 85 -10.066 1.889 4.075 227 H LYS 86 H LYS 86 -6.937 3.956 2.461 228 HA LYS 86 HA LYS 86 -8.938 5.540 3.670 229 1HB LYS 86 2HB LYS 86 -6.547 5.229 4.490 230 2HB LYS 86 1HB LYS 86 -6.160 6.371 3.162 231 1HG LYS 86 2HG LYS 86 -6.278 7.584 5.268 232 2HG LYS 86 1HG LYS 86 -7.656 8.107 4.247 233 1HD LYS 86 2HD LYS 86 -9.176 6.549 5.526 234 2HD LYS 86 1HD LYS 86 -7.783 6.060 6.556 235 1HE LYS 86 2HE LYS 86 -8.900 8.938 6.322 236 2HE LYS 86 1HE LYS 86 -9.257 7.775 7.667 237 1HZ LYS 86 1HZ LYS 86 -6.572 8.795 6.903 238 2HZ LYS 86 2HZ LYS 86 -7.508 9.302 8.230 239 3HZ LYS 86 3HZ LYS 86 -6.917 7.711 8.163 240 H THR 87 H THR 87 -7.202 5.508 0.582 241 HA THR 87 HA THR 87 -7.859 8.155 -0.142 242 HB THR 87 HB THR 87 -7.063 5.725 -1.817 243 HG1 THR 87 HG1 THR 87 -5.540 6.416 -0.323 244 1HG2 THR 87 2HG2 THR 87 -7.252 8.731 -2.545 245 2HG2 THR 87 3HG2 THR 87 -6.345 7.496 -3.499 246 3HG2 THR 87 1HG2 THR 87 -8.120 7.351 -3.346 247 H GLY 88 H GLY 88 -9.146 4.906 -1.104 248 1HA GLY 88 1HA GLY 88 -11.399 4.510 -1.463 249 2HA GLY 88 2HA GLY 88 -11.628 6.248 -1.924 250 H VAL 89 H VAL 89 -8.793 4.410 -2.793 251 HA VAL 89 HA VAL 89 -9.719 4.039 -5.528 252 HB VAL 89 HB VAL 89 -8.065 5.726 -4.799 253 1HG1 VAL 89 3HG1 VAL 89 -6.607 3.909 -3.415 254 2HG1 VAL 89 1HG1 VAL 89 -6.176 3.322 -5.069 255 3HG1 VAL 89 2HG1 VAL 89 -5.579 4.937 -4.479 256 1HG2 VAL 89 2HG2 VAL 89 -8.185 5.786 -7.026 257 2HG2 VAL 89 3HG2 VAL 89 -6.654 6.315 -6.277 258 3HG2 VAL 89 1HG2 VAL 89 -6.671 4.744 -7.091 259 H ALA 90 H ALA 90 -10.415 2.419 -3.297 260 HA ALA 90 HA ALA 90 -8.370 0.454 -2.875 261 1HB ALA 90 3HB ALA 90 -11.381 0.225 -2.373 262 2HB ALA 90 1HB ALA 90 -10.105 -0.937 -1.841 263 3HB ALA 90 2HB ALA 90 -10.145 0.737 -1.140 264 H HIS 91 H HIS 91 -11.098 0.982 -5.003 265 HA HIS 91 HA HIS 91 -11.145 -1.515 -6.270 266 1HB HIS 91 2HB HIS 91 -11.941 -0.121 -8.223 267 2HB HIS 91 1HB HIS 91 -12.970 -0.141 -6.713 268 HD1 HIS 91 HD1 HIS 91 -11.314 2.484 -5.496 269 HD2 HIS 91 HD2 HIS 91 -13.257 2.034 -9.183 270 HE1 HIS 91 HE1 HIS 91 -11.879 4.815 -6.404 271 H LEU 92 H LEU 92 -9.102 1.365 -6.482 272 HA LEU 92 HA LEU 92 -8.023 0.487 -8.960 273 1HB LEU 92 1HB LEU 92 -7.225 2.726 -7.024 274 2HB LEU 92 2HB LEU 92 -6.596 2.674 -8.631 275 HG LEU 92 HG LEU 92 -8.943 3.980 -7.552 276 1HD1 LEU 92 1HD1 LEU 92 -7.109 4.964 -9.106 277 2HD1 LEU 92 2HD1 LEU 92 -7.832 4.041 -10.463 278 3HD1 LEU 92 3HD1 LEU 92 -8.803 5.311 -9.625 279 1HD2 LEU 92 2HD2 LEU 92 -9.374 2.295 -10.189 280 2HD2 LEU 92 3HD2 LEU 92 -10.298 2.069 -8.674 281 3HD2 LEU 92 1HD2 LEU 92 -10.484 3.592 -9.608 282 H CYS 93 H CYS 93 -7.730 -0.495 -5.979 283 HA CYS 93 HA CYS 93 -4.800 -0.637 -5.910 284 1HB CYS 93 1HB CYS 93 -6.096 -0.321 -3.763 285 2HB CYS 93 2HB CYS 93 -6.777 -1.954 -3.978 286 H HIS 94 H HIS 94 -3.844 -2.116 -7.190 287 HA HIS 94 HA HIS 94 -4.745 -4.848 -6.828 288 1HB HIS 94 2HB HIS 94 -4.040 -3.641 -9.583 289 2HB HIS 94 1HB HIS 94 -4.174 -5.391 -9.189 290 HD1 HIS 94 HD1 HIS 94 -6.275 -2.255 -9.748 291 HD2 HIS 94 HD2 HIS 94 -6.892 -6.332 -8.977 292 HE1 HIS 94 HE1 HIS 94 -8.755 -2.761 -10.097 293 H TYR 95 H TYR 95 -2.971 -6.118 -6.485 294 HA TYR 95 HA TYR 95 -0.438 -4.673 -6.733 295 1HB TYR 95 1HB TYR 95 -0.541 -7.418 -5.471 296 2HB TYR 95 2HB TYR 95 0.675 -6.072 -5.327 297 HD1 TYR 95 HD2 TYR 95 -2.701 -7.279 -4.527 298 HD2 TYR 95 HD1 TYR 95 0.328 -4.434 -3.403 299 HE1 TYR 95 HE2 TYR 95 -4.013 -6.618 -2.560 300 HE2 TYR 95 HE1 TYR 95 -1.011 -3.777 -1.542 301 HH TYR 95 HH TYR 95 -2.871 -4.001 -0.423 302 H MET 96 H MET 96 0.991 -5.195 -8.262 303 HA MET 96 HA MET 96 0.974 -7.794 -9.402 304 1HB MET 96 1HB MET 96 1.103 -6.353 -11.677 305 2HB MET 96 2HB MET 96 -0.398 -7.234 -11.194 306 1HG MET 96 2HG MET 96 -1.285 -5.072 -10.245 307 2HG MET 96 1HG MET 96 0.211 -4.235 -10.777 308 1HE MET 96 2HE MET 96 -2.688 -3.352 -11.378 309 2HE MET 96 3HE MET 96 -1.285 -2.470 -12.075 310 3HE MET 96 1HE MET 96 -2.670 -2.927 -13.123 311 H GLU 97 H GLU 97 3.060 -8.244 -9.413 312 HA GLU 97 HA GLU 97 4.643 -6.356 -10.951 313 1HB GLU 97 1HB GLU 97 5.793 -8.104 -8.686 314 2HB GLU 97 2HB GLU 97 6.740 -7.175 -9.893 315 1HG GLU 97 2HG GLU 97 5.791 -5.031 -8.978 316 2HG GLU 97 1HG GLU 97 4.885 -5.982 -7.731 317 H GLN 98 H GLN 98 4.201 -9.555 -9.483 318 HA GLN 98 HA GLN 98 4.357 -11.588 -10.111 319 1HB GLN 98 2HB GLN 98 2.520 -10.886 -11.719 320 2HB GLN 98 1HB GLN 98 3.770 -10.763 -13.000 321 1HG GLN 98 2HG GLN 98 4.285 -13.235 -12.688 322 2HG GLN 98 1HG GLN 98 3.043 -13.303 -11.377 323 1HE2 GLN 98 2HE2 GLN 98 2.014 -13.661 -15.293 324 2HE2 GLN 98 1HE2 GLN 98 3.626 -13.780 -14.670 325 H THR 99 H THR 99 6.676 -10.988 -9.513 326 HA THR 99 HA THR 99 8.364 -11.895 -11.684 327 HB THR 99 HB THR 99 8.458 -9.405 -11.784 328 HG1 THR 99 HG1 THR 99 10.687 -9.313 -11.618 329 1HG2 THR 99 3HG2 THR 99 8.007 -9.015 -9.269 330 2HG2 THR 99 1HG2 THR 99 9.713 -9.510 -8.955 331 3HG2 THR 99 2HG2 THR 99 9.367 -8.074 -9.970 332 H TRP 100 H TRP 100 7.306 -11.552 -8.435 333 HA TRP 100 HA TRP 100 9.644 -12.983 -7.444 334 1HB TRP 100 1HB TRP 100 7.324 -11.703 -5.904 335 2HB TRP 100 2HB TRP 100 8.828 -12.405 -5.202 336 HD1 TRP 100 HD1 TRP 100 7.417 -9.104 -6.100 337 HE1 TRP 100 HE1 TRP 100 9.262 -7.336 -6.175 338 HE3 TRP 100 HE3 TRP 100 11.432 -12.207 -6.296 339 HZ2 TRP 100 HZ2 TRP 100 12.083 -7.279 -6.314 340 HZ3 TRP 100 HZ3 TRP 100 13.675 -11.234 -6.411 341 HH2 TRP 100 HH2 TRP 100 14.001 -8.811 -6.411 No H/Q in entry = 341 Start of MODEL 3 1 1H ILE 60 2H ILE 60 10.410 -11.052 -2.640 2 2H ILE 60 3H ILE 60 10.401 -10.205 -4.111 3 3H ILE 60 1H ILE 60 11.872 -10.532 -3.330 4 HA ILE 60 HA ILE 60 11.275 -9.188 -1.519 5 HB ILE 60 HB ILE 60 12.410 -8.381 -3.652 6 1HG1 ILE 60 2HG1 ILE 60 12.305 -5.948 -3.217 7 2HG1 ILE 60 1HG1 ILE 60 10.931 -6.175 -2.099 8 1HG2 ILE 60 1HG2 ILE 60 10.298 -8.490 -5.071 9 2HG2 ILE 60 2HG2 ILE 60 9.715 -6.995 -4.229 10 3HG2 ILE 60 3HG2 ILE 60 11.218 -6.948 -5.210 11 1HD1 ILE 60 3HD1 ILE 60 13.767 -7.387 -1.754 12 2HD1 ILE 60 1HD1 ILE 60 13.133 -5.929 -0.902 13 3HD1 ILE 60 2HD1 ILE 60 12.412 -7.544 -0.575 14 HA PRO 61 HA PRO 61 6.869 -8.686 -1.166 15 1HB PRO 61 2HB PRO 61 7.406 -5.967 0.125 16 2HB PRO 61 1HB PRO 61 6.322 -7.285 0.743 17 1HG PRO 61 2HG PRO 61 8.785 -6.961 1.864 18 2HG PRO 61 1HG PRO 61 8.249 -8.636 1.397 19 1HD PRO 61 2HD PRO 61 10.044 -6.719 -0.185 20 2HD PRO 61 1HD PRO 61 10.296 -8.495 0.130 21 H LEU 62 H LEU 62 5.269 -7.938 -2.567 22 HA LEU 62 HA LEU 62 6.193 -6.081 -4.548 23 1HB LEU 62 2HB LEU 62 3.483 -7.498 -4.289 24 2HB LEU 62 1HB LEU 62 4.050 -6.581 -5.721 25 HG LEU 62 HG LEU 62 5.192 -9.235 -4.668 26 1HD1 LEU 62 1HD1 LEU 62 3.658 -8.388 -7.194 27 2HD1 LEU 62 2HD1 LEU 62 4.313 -10.053 -6.899 28 3HD1 LEU 62 3HD1 LEU 62 3.005 -9.386 -5.840 29 1HD2 LEU 62 1HD2 LEU 62 6.134 -7.499 -7.043 30 2HD2 LEU 62 2HD2 LEU 62 7.095 -7.932 -5.577 31 3HD2 LEU 62 3HD2 LEU 62 6.621 -9.209 -6.752 32 H SER 63 H SER 63 4.777 -4.408 -5.398 33 HA SER 63 HA SER 63 3.210 -3.136 -3.277 34 1HB SER 63 1HB SER 63 3.906 -0.916 -4.343 35 2HB SER 63 2HB SER 63 5.327 -1.815 -3.691 36 HG SER 63 HG SER 63 5.596 -2.675 -5.799 37 H CYS 64 H CYS 64 1.589 -1.559 -4.212 38 HA CYS 64 HA CYS 64 0.343 -2.878 -6.448 39 1HB CYS 64 2HB CYS 64 -1.690 -1.764 -5.968 40 2HB CYS 64 1HB CYS 64 -1.054 -2.365 -4.418 41 H THR 65 H THR 65 -0.913 -1.076 -7.882 42 HA THR 65 HA THR 65 1.311 -0.224 -9.326 43 HB THR 65 HB THR 65 -0.218 0.417 -11.083 44 HG1 THR 65 HG1 THR 65 -2.238 -0.032 -9.139 45 1HG2 THR 65 3HG2 THR 65 0.220 -2.092 -10.517 46 2HG2 THR 65 1HG2 THR 65 -1.360 -2.083 -9.651 47 3HG2 THR 65 2HG2 THR 65 -1.309 -1.756 -11.415 48 H ILE 66 H ILE 66 -0.781 1.472 -7.067 49 HA ILE 66 HA ILE 66 0.015 4.035 -8.118 50 HB ILE 66 HB ILE 66 -1.149 3.909 -5.468 51 1HG1 ILE 66 2HG1 ILE 66 -2.745 3.311 -8.042 52 2HG1 ILE 66 1HG1 ILE 66 -2.527 2.217 -6.625 53 1HG2 ILE 66 1HG2 ILE 66 -0.380 6.033 -6.600 54 2HG2 ILE 66 2HG2 ILE 66 -1.503 5.694 -7.963 55 3HG2 ILE 66 3HG2 ILE 66 -2.147 6.052 -6.317 56 1HD1 ILE 66 2HD1 ILE 66 -3.653 3.994 -5.171 57 2HD1 ILE 66 3HD1 ILE 66 -4.099 4.860 -6.691 58 3HD1 ILE 66 1HD1 ILE 66 -4.705 3.188 -6.387 59 H CYS 67 H CYS 67 0.805 1.797 -5.401 60 HA CYS 67 HA CYS 67 2.327 3.762 -4.047 61 1HB CYS 67 1HB CYS 67 2.258 0.733 -3.791 62 2HB CYS 67 2HB CYS 67 3.338 1.779 -2.815 63 H ARG 68 H ARG 68 3.073 1.586 -6.765 64 HA ARG 68 HA ARG 68 5.881 1.893 -6.308 65 1HB ARG 68 1HB ARG 68 4.694 -0.055 -7.571 66 2HB ARG 68 2HB ARG 68 4.598 1.079 -8.957 67 1HG ARG 68 2HG ARG 68 7.100 1.252 -8.985 68 2HG ARG 68 1HG ARG 68 7.191 0.294 -7.464 69 1HD ARG 68 2HD ARG 68 6.251 -1.704 -8.648 70 2HD ARG 68 1HD ARG 68 6.174 -0.739 -10.194 71 HE ARG 68 HE ARG 68 8.833 -0.551 -9.096 72 1HH1 ARG 68 1HH1 ARG 68 6.567 -2.867 -10.588 73 2HH1 ARG 68 2HH1 ARG 68 7.806 -3.831 -11.323 74 1HH2 ARG 68 1HH2 ARG 68 10.509 -1.865 -10.096 75 2HH2 ARG 68 2HH2 ARG 68 10.079 -3.253 -11.038 76 H LYS 69 H LYS 69 3.303 3.734 -7.903 77 HA LYS 69 HA LYS 69 5.059 5.052 -9.694 78 1HB LYS 69 2HB LYS 69 2.605 4.676 -10.109 79 2HB LYS 69 1HB LYS 69 2.242 5.864 -8.809 80 1HG LYS 69 2HG LYS 69 3.405 7.658 -10.149 81 2HG LYS 69 1HG LYS 69 3.840 6.430 -11.389 82 1HD LYS 69 2HD LYS 69 1.384 6.014 -11.787 83 2HD LYS 69 1HD LYS 69 0.993 7.306 -10.594 84 1HE LYS 69 2HE LYS 69 2.163 9.000 -12.036 85 2HE LYS 69 1HE LYS 69 2.597 7.695 -13.216 86 1HZ LYS 69 2HZ LYS 69 -0.161 8.487 -12.435 87 2HZ LYS 69 3HZ LYS 69 0.644 8.921 -13.866 88 3HZ LYS 69 1HZ LYS 69 0.268 7.292 -13.563 89 H ARG 70 H ARG 70 3.451 5.814 -6.529 90 HA ARG 70 HA ARG 70 4.525 8.432 -6.500 91 1HB ARG 70 1HB ARG 70 3.270 6.764 -4.265 92 2HB ARG 70 2HB ARG 70 3.438 8.548 -4.271 93 1HG ARG 70 2HG ARG 70 1.659 6.898 -6.164 94 2HG ARG 70 1HG ARG 70 1.121 7.595 -4.610 95 1HD ARG 70 2HD ARG 70 0.294 9.019 -6.366 96 2HD ARG 70 1HD ARG 70 1.628 9.921 -5.538 97 HE ARG 70 HE ARG 70 2.743 8.483 -7.768 98 1HH1 ARG 70 1HH1 ARG 70 0.441 11.114 -7.052 99 2HH1 ARG 70 2HH1 ARG 70 0.729 11.965 -8.532 100 1HH2 ARG 70 1HH2 ARG 70 3.123 9.648 -9.779 101 2HH2 ARG 70 2HH2 ARG 70 2.273 11.123 -10.101 102 H LYS 71 H LYS 71 5.313 5.203 -5.286 103 HA LYS 71 HA LYS 71 6.948 4.358 -4.304 104 1HB LYS 71 1HB LYS 71 8.442 6.128 -5.506 105 2HB LYS 71 2HB LYS 71 8.499 6.951 -3.922 106 1HG LYS 71 2HG LYS 71 10.476 5.548 -4.224 107 2HG LYS 71 1HG LYS 71 9.480 4.880 -2.887 108 1HD LYS 71 2HD LYS 71 10.435 3.095 -4.298 109 2HD LYS 71 1HD LYS 71 8.643 3.071 -4.366 110 1HE LYS 71 2HE LYS 71 8.716 4.205 -6.623 111 2HE LYS 71 1HE LYS 71 10.527 4.228 -6.535 112 1HZ LYS 71 1HZ LYS 71 8.788 1.815 -6.461 113 2HZ LYS 71 2HZ LYS 71 9.681 2.376 -7.792 114 3HZ LYS 71 3HZ LYS 71 10.486 1.832 -6.399 115 H VAL 72 H VAL 72 4.818 4.551 -3.004 116 HA VAL 72 HA VAL 72 5.470 5.528 -0.336 117 HB VAL 72 HB VAL 72 2.967 4.638 -1.593 118 1HG1 VAL 72 3HG2 VAL 72 3.443 5.441 1.325 119 2HG1 VAL 72 1HG2 VAL 72 1.818 5.480 0.540 120 3HG1 VAL 72 2HG2 VAL 72 2.686 3.922 0.675 121 1HG2 VAL 72 2HG1 VAL 72 3.756 6.984 -2.222 122 2HG2 VAL 72 3HG1 VAL 72 2.260 7.059 -1.233 123 3HG2 VAL 72 1HG1 VAL 72 3.859 7.386 -0.475 124 H LYS 73 H LYS 73 4.938 3.806 1.279 125 HA LYS 73 HA LYS 73 6.071 1.283 0.317 126 1HB LYS 73 2HB LYS 73 5.769 2.527 3.079 127 2HB LYS 73 1HB LYS 73 5.836 0.739 2.907 128 1HG LYS 73 2HG LYS 73 8.062 1.627 3.422 129 2HG LYS 73 1HG LYS 73 8.017 0.819 1.818 130 1HD LYS 73 2HD LYS 73 7.964 3.029 0.676 131 2HD LYS 73 1HD LYS 73 7.944 3.868 2.271 132 1HE LYS 73 2HE LYS 73 10.222 2.935 2.781 133 2HE LYS 73 1HE LYS 73 10.205 2.039 1.205 134 1HZ LYS 73 2HZ LYS 73 9.998 4.159 0.079 135 2HZ LYS 73 3HZ LYS 73 10.060 4.987 1.561 136 3HZ LYS 73 1HZ LYS 73 11.401 4.085 1.034 137 H CYS 74 H CYS 74 4.593 0.111 -0.598 138 HA CYS 74 HA CYS 74 1.913 -0.030 0.197 139 1HB CYS 74 1HB CYS 74 3.089 -0.677 -2.058 140 2HB CYS 74 2HB CYS 74 3.409 -2.244 -1.261 141 H ASP 75 H ASP 75 0.977 -2.502 0.591 142 HA ASP 75 HA ASP 75 2.243 -2.970 3.225 143 1HB ASP 75 2HB ASP 75 -0.758 -2.893 2.561 144 2HB ASP 75 1HB ASP 75 -0.026 -3.378 4.134 145 H LYS 76 H LYS 76 -0.007 -4.195 0.745 146 HA LYS 76 HA LYS 76 -0.458 -6.141 -0.052 147 1HB LYS 76 1HB LYS 76 2.126 -6.707 0.316 148 2HB LYS 76 2HB LYS 76 1.479 -7.727 1.639 149 1HG LYS 76 2HG LYS 76 1.466 -9.266 -0.080 150 2HG LYS 76 1HG LYS 76 -0.174 -8.566 -0.371 151 1HD LYS 76 2HD LYS 76 0.794 -7.072 -2.124 152 2HD LYS 76 1HD LYS 76 2.444 -7.684 -1.763 153 1HE LYS 76 2HE LYS 76 1.542 -8.780 -3.809 154 2HE LYS 76 1HE LYS 76 1.741 -10.001 -2.484 155 1HZ LYS 76 3HZ LYS 76 -0.609 -9.759 -2.006 156 2HZ LYS 76 1HZ LYS 76 -0.780 -8.638 -3.271 157 3HZ LYS 76 2HZ LYS 76 -0.343 -10.243 -3.613 158 H LEU 77 H LEU 77 -1.654 -4.885 2.306 159 HA LEU 77 HA LEU 77 -2.372 -7.185 3.911 160 1HB LEU 77 2HB LEU 77 -3.480 -5.734 5.463 161 2HB LEU 77 1HB LEU 77 -1.858 -5.066 5.070 162 HG LEU 77 HG LEU 77 -3.124 -3.513 3.402 163 1HD1 LEU 77 3HD1 LEU 77 -5.324 -4.077 5.518 164 2HD1 LEU 77 1HD1 LEU 77 -5.305 -2.690 4.369 165 3HD1 LEU 77 2HD1 LEU 77 -5.494 -4.375 3.754 166 1HD2 LEU 77 2HD2 LEU 77 -1.740 -2.930 5.427 167 2HD2 LEU 77 3HD2 LEU 77 -3.164 -1.856 5.212 168 3HD2 LEU 77 1HD2 LEU 77 -3.198 -3.154 6.462 169 H ARG 78 H ARG 78 -4.371 -8.203 3.783 170 HA ARG 78 HA ARG 78 -5.516 -7.838 1.233 171 1HB ARG 78 2HB ARG 78 -6.325 -9.679 3.547 172 2HB ARG 78 1HB ARG 78 -7.058 -9.735 1.907 173 1HG ARG 78 2HG ARG 78 -4.092 -10.278 2.563 174 2HG ARG 78 1HG ARG 78 -5.361 -11.509 2.242 175 1HD ARG 78 2HD ARG 78 -5.654 -10.552 -0.108 176 2HD ARG 78 1HD ARG 78 -4.307 -9.398 0.234 177 HE ARG 78 HE ARG 78 -2.746 -11.168 0.174 178 1HH1 ARG 78 1HH1 ARG 78 -6.086 -12.428 -0.054 179 2HH1 ARG 78 2HH1 ARG 78 -5.598 -13.999 -0.598 180 1HH2 ARG 78 1HH2 ARG 78 -2.114 -13.292 -0.563 181 2HH2 ARG 78 2HH2 ARG 78 -3.317 -14.494 -0.890 182 HA PRO 79 HA PRO 79 -7.503 -8.095 0.142 183 1HB PRO 79 1HB PRO 79 -9.495 -6.534 -1.042 184 2HB PRO 79 2HB PRO 79 -9.829 -8.036 -0.089 185 1HG PRO 79 2HG PRO 79 -10.069 -5.137 0.810 186 2HG PRO 79 1HG PRO 79 -11.138 -6.545 1.206 187 1HD PRO 79 2HD PRO 79 -9.104 -5.546 2.898 188 2HD PRO 79 1HD PRO 79 -9.651 -7.286 2.919 189 H HIS 80 H HIS 80 -8.167 -4.532 0.594 190 HA HIS 80 HA HIS 80 -6.109 -4.012 -1.413 191 1HB HIS 80 1HB HIS 80 -8.372 -2.246 -0.314 192 2HB HIS 80 2HB HIS 80 -7.253 -1.806 -1.660 193 HD1 HIS 80 HD1 HIS 80 -7.350 -3.800 -3.709 194 HD2 HIS 80 HD2 HIS 80 -10.690 -3.477 -1.193 195 HE1 HIS 80 HE1 HIS 80 -9.313 -4.975 -4.843 196 H CYS 81 H CYS 81 -4.641 -2.167 -0.957 197 HA CYS 81 HA CYS 81 -3.690 -2.616 1.649 198 1HB CYS 81 2HB CYS 81 -1.676 -1.638 1.048 199 2HB CYS 81 1HB CYS 81 -2.248 -2.341 -0.489 200 H GLN 82 H GLN 82 -2.876 -0.816 3.053 201 HA GLN 82 HA GLN 82 -5.077 0.587 3.890 202 1HB GLN 82 2HB GLN 82 -2.396 0.178 4.872 203 2HB GLN 82 1HB GLN 82 -2.846 1.910 5.023 204 1HG GLN 82 2HG GLN 82 -4.944 1.306 6.227 205 2HG GLN 82 1HG GLN 82 -4.548 -0.443 6.081 206 1HE2 GLN 82 2HE2 GLN 82 -2.563 -0.495 8.955 207 2HE2 GLN 82 1HE2 GLN 82 -3.602 -1.308 7.834 208 H GLN 83 H GLN 83 -2.764 1.753 1.503 209 HA GLN 83 HA GLN 83 -3.310 4.494 2.058 210 1HB GLN 83 2HB GLN 83 -1.286 3.921 0.768 211 2HB GLN 83 1HB GLN 83 -2.293 3.200 -0.535 212 1HG GLN 83 2HG GLN 83 -3.234 5.424 -1.110 213 2HG GLN 83 1HG GLN 83 -2.497 6.149 0.375 214 1HE2 GLN 83 2HE2 GLN 83 0.448 7.024 -1.227 215 2HE2 GLN 83 1HE2 GLN 83 -0.760 7.322 -0.022 216 H CYS 84 H CYS 84 -4.388 2.250 -0.670 217 HA CYS 84 HA CYS 84 -6.291 3.782 -1.599 218 1HB CYS 84 1HB CYS 84 -5.934 0.857 -1.605 219 2HB CYS 84 2HB CYS 84 -6.807 1.780 -2.855 220 H THR 85 H THR 85 -6.556 1.807 1.308 221 HA THR 85 HA THR 85 -9.383 1.444 1.005 222 HB THR 85 HB THR 85 -7.547 1.148 3.427 223 HG1 THR 85 HG1 THR 85 -7.190 -0.242 1.665 224 1HG2 THR 85 2HG2 THR 85 -10.494 0.307 2.940 225 2HG2 THR 85 3HG2 THR 85 -9.471 -0.294 4.298 226 3HG2 THR 85 1HG2 THR 85 -9.902 1.442 4.217 227 H LYS 86 H LYS 86 -7.077 3.636 2.702 228 HA LYS 86 HA LYS 86 -9.104 5.019 4.064 229 1HB LYS 86 2HB LYS 86 -6.218 5.430 3.694 230 2HB LYS 86 1HB LYS 86 -7.221 6.598 4.615 231 1HG LYS 86 2HG LYS 86 -7.935 4.775 6.162 232 2HG LYS 86 1HG LYS 86 -6.931 3.588 5.256 233 1HD LYS 86 2HD LYS 86 -4.868 4.846 5.849 234 2HD LYS 86 1HD LYS 86 -5.850 6.082 6.713 235 1HE LYS 86 2HE LYS 86 -6.647 4.327 8.332 236 2HE LYS 86 1HE LYS 86 -5.639 3.087 7.474 237 1HZ LYS 86 2HZ LYS 86 -3.693 4.426 7.985 238 2HZ LYS 86 3HZ LYS 86 -4.657 5.551 8.819 239 3HZ LYS 86 1HZ LYS 86 -4.531 3.958 9.388 240 H THR 87 H THR 87 -7.482 5.391 0.917 241 HA THR 87 HA THR 87 -8.256 8.136 0.682 242 HB THR 87 HB THR 87 -7.136 6.106 -1.318 243 HG1 THR 87 HG1 THR 87 -5.752 6.734 0.338 244 1HG2 THR 87 2HG2 THR 87 -7.657 9.151 -1.547 245 2HG2 THR 87 3HG2 THR 87 -6.636 8.194 -2.685 246 3HG2 THR 87 1HG2 THR 87 -8.392 7.844 -2.561 247 H GLY 88 H GLY 88 -9.079 4.939 -0.787 248 1HA GLY 88 1HA GLY 88 -11.333 4.315 -0.918 249 2HA GLY 88 2HA GLY 88 -11.750 6.022 -1.349 250 H VAL 89 H VAL 89 -8.743 4.789 -2.552 251 HA VAL 89 HA VAL 89 -9.975 4.364 -5.153 252 HB VAL 89 HB VAL 89 -7.819 4.555 -6.207 253 1HG1 VAL 89 3HG2 VAL 89 -9.230 6.549 -5.900 254 2HG1 VAL 89 1HG2 VAL 89 -8.452 6.896 -4.318 255 3HG1 VAL 89 2HG2 VAL 89 -7.475 6.976 -5.826 256 1HG2 VAL 89 1HG1 VAL 89 -6.724 4.589 -3.322 257 2HG2 VAL 89 2HG1 VAL 89 -6.241 3.678 -4.807 258 3HG2 VAL 89 3HG1 VAL 89 -5.851 5.424 -4.666 259 H ALA 90 H ALA 90 -10.415 2.351 -3.250 260 HA ALA 90 HA ALA 90 -8.350 0.445 -3.259 261 1HB ALA 90 1HB ALA 90 -11.358 0.032 -2.854 262 2HB ALA 90 2HB ALA 90 -10.075 -1.193 -2.529 263 3HB ALA 90 3HB ALA 90 -10.135 0.329 -1.548 264 H HIS 91 H HIS 91 -10.711 1.367 -5.558 265 HA HIS 91 HA HIS 91 -10.919 -0.942 -7.116 266 1HB HIS 91 1HB HIS 91 -11.990 0.477 -8.692 267 2HB HIS 91 2HB HIS 91 -12.257 1.251 -7.064 268 HD1 HIS 91 HD1 HIS 91 -10.576 3.318 -6.448 269 HD2 HIS 91 HD2 HIS 91 -11.724 2.461 -10.367 270 HE1 HIS 91 HE1 HIS 91 -10.514 5.506 -7.765 271 H LEU 92 H LEU 92 -8.604 1.746 -6.878 272 HA LEU 92 HA LEU 92 -7.166 0.568 -9.170 273 1HB LEU 92 2HB LEU 92 -6.466 3.141 -7.663 274 2HB LEU 92 1HB LEU 92 -5.661 2.509 -9.143 275 HG LEU 92 HG LEU 92 -8.484 3.625 -8.854 276 1HD1 LEU 92 3HD1 LEU 92 -6.653 5.277 -9.163 277 2HD1 LEU 92 1HD1 LEU 92 -6.122 4.424 -10.661 278 3HD1 LEU 92 2HD1 LEU 92 -7.739 5.221 -10.602 279 1HD2 LEU 92 3HD2 LEU 92 -7.304 2.062 -11.229 280 2HD2 LEU 92 1HD2 LEU 92 -8.723 1.611 -10.220 281 3HD2 LEU 92 2HD2 LEU 92 -8.821 3.055 -11.297 282 H CYS 93 H CYS 93 -7.466 -0.421 -6.333 283 HA CYS 93 HA CYS 93 -4.566 -0.657 -5.803 284 1HB CYS 93 1HB CYS 93 -6.144 -0.228 -3.854 285 2HB CYS 93 2HB CYS 93 -6.771 -1.877 -4.097 286 H HIS 94 H HIS 94 -3.608 -2.188 -7.055 287 HA HIS 94 HA HIS 94 -4.554 -4.854 -6.588 288 1HB HIS 94 2HB HIS 94 -4.031 -3.831 -9.451 289 2HB HIS 94 1HB HIS 94 -4.133 -5.563 -8.956 290 HD1 HIS 94 HD1 HIS 94 -6.630 -6.274 -7.981 291 HD2 HIS 94 HD2 HIS 94 -6.470 -2.645 -10.079 292 HE1 HIS 94 HE1 HIS 94 -9.017 -5.613 -8.611 293 H TYR 95 H TYR 95 -2.808 -6.141 -6.283 294 HA TYR 95 HA TYR 95 -0.233 -4.825 -6.590 295 1HB TYR 95 1HB TYR 95 -0.607 -7.636 -5.483 296 2HB TYR 95 2HB TYR 95 0.764 -6.491 -5.189 297 HD1 TYR 95 HD1 TYR 95 0.385 -4.550 -3.453 298 HD2 TYR 95 HD2 TYR 95 -2.574 -7.544 -4.368 299 HE1 TYR 95 HE1 TYR 95 -0.860 -3.935 -1.526 300 HE2 TYR 95 HE2 TYR 95 -3.798 -6.901 -2.346 301 HH TYR 95 HH TYR 95 -3.912 -5.515 -0.615 302 H MET 96 H MET 96 1.436 -5.761 -7.897 303 HA MET 96 HA MET 96 0.411 -6.458 -10.353 304 1HB MET 96 2HB MET 96 3.193 -6.496 -9.374 305 2HB MET 96 1HB MET 96 2.712 -6.488 -11.101 306 1HG MET 96 2HG MET 96 1.595 -4.265 -10.753 307 2HG MET 96 1HG MET 96 2.124 -4.253 -9.043 308 1HE MET 96 2HE MET 96 2.444 -1.981 -11.004 309 2HE MET 96 3HE MET 96 3.054 -1.917 -9.313 310 3HE MET 96 1HE MET 96 4.104 -1.389 -10.674 311 H GLU 97 H GLU 97 0.173 -8.358 -11.406 312 HA GLU 97 HA GLU 97 0.206 -10.432 -11.940 313 1HB GLU 97 2HB GLU 97 2.719 -10.396 -11.474 314 2HB GLU 97 1HB GLU 97 2.344 -11.161 -9.891 315 1HG GLU 97 2HG GLU 97 1.281 -13.104 -11.105 316 2HG GLU 97 1HG GLU 97 1.631 -12.290 -12.681 317 H GLN 98 H GLN 98 -1.575 -11.541 -11.519 318 HA GLN 98 HA GLN 98 -2.382 -11.687 -8.714 319 1HB GLN 98 2HB GLN 98 -4.088 -11.853 -11.248 320 2HB GLN 98 1HB GLN 98 -4.697 -11.796 -9.552 321 1HG GLN 98 2HG GLN 98 -3.768 -9.484 -9.289 322 2HG GLN 98 1HG GLN 98 -3.171 -9.526 -10.997 323 1HE2 GLN 98 2HE2 GLN 98 -6.256 -8.873 -12.517 324 2HE2 GLN 98 1HE2 GLN 98 -4.552 -9.147 -12.672 325 H THR 99 H THR 99 -0.564 -13.726 -9.937 326 HA THR 99 HA THR 99 -2.410 -15.968 -10.148 327 HB THR 99 HB THR 99 -0.598 -15.735 -11.853 328 HG1 THR 99 HG1 THR 99 -0.122 -17.923 -11.711 329 1HG2 THR 99 2HG2 THR 99 1.219 -15.002 -10.133 330 2HG2 THR 99 3HG2 THR 99 1.292 -16.726 -9.604 331 3HG2 THR 99 1HG2 THR 99 1.686 -16.296 -11.295 332 H TRP 100 H TRP 100 -0.323 -14.243 -7.993 333 HA TRP 100 HA TRP 100 0.325 -16.414 -6.315 334 1HB TRP 100 2HB TRP 100 0.179 -13.410 -5.700 335 2HB TRP 100 1HB TRP 100 0.962 -14.649 -4.651 336 HD1 TRP 100 HD1 TRP 100 1.518 -12.833 -8.089 337 HE1 TRP 100 HE1 TRP 100 4.010 -12.997 -8.649 338 HE3 TRP 100 HE3 TRP 100 2.919 -15.960 -4.352 339 HZ2 TRP 100 HZ2 TRP 100 6.291 -14.311 -7.616 340 HZ3 TRP 100 HZ3 TRP 100 5.270 -16.643 -4.192 341 HH2 TRP 100 HH2 TRP 100 6.929 -15.834 -5.795 No H/Q in entry = 341 Start of MODEL 4 1 1H ILE 60 3H ILE 60 12.237 -8.855 -5.392 2 2H ILE 60 1H ILE 60 11.482 -8.299 -6.811 3 3H ILE 60 2H ILE 60 13.084 -7.850 -6.470 4 HA ILE 60 HA ILE 60 12.439 -6.556 -4.681 5 HB ILE 60 HB ILE 60 10.779 -4.971 -5.836 6 1HG1 ILE 60 2HG1 ILE 60 10.941 -7.035 -8.122 7 2HG1 ILE 60 1HG1 ILE 60 9.491 -6.748 -7.102 8 1HG2 ILE 60 1HG2 ILE 60 13.283 -4.896 -5.995 9 2HG2 ILE 60 2HG2 ILE 60 13.223 -5.970 -7.440 10 3HG2 ILE 60 3HG2 ILE 60 12.496 -4.323 -7.505 11 1HD1 ILE 60 2HD1 ILE 60 9.442 -4.346 -7.868 12 2HD1 ILE 60 3HD1 ILE 60 10.821 -4.697 -8.979 13 3HD1 ILE 60 1HD1 ILE 60 9.245 -5.535 -9.207 14 HA PRO 61 HA PRO 61 8.632 -7.791 -2.682 15 1HB PRO 61 2HB PRO 61 7.878 -5.497 -1.290 16 2HB PRO 61 1HB PRO 61 9.273 -6.533 -0.772 17 1HG PRO 61 2HG PRO 61 9.350 -3.949 -2.412 18 2HG PRO 61 1HG PRO 61 10.404 -4.428 -1.016 19 1HD PRO 61 2HD PRO 61 11.190 -4.736 -3.661 20 2HD PRO 61 1HD PRO 61 11.661 -5.958 -2.391 21 H LEU 62 H LEU 62 6.298 -7.513 -2.963 22 HA LEU 62 HA LEU 62 5.710 -6.173 -5.413 23 1HB LEU 62 1HB LEU 62 3.878 -7.591 -3.404 24 2HB LEU 62 2HB LEU 62 3.312 -6.889 -4.952 25 HG LEU 62 HG LEU 62 5.331 -9.192 -4.677 26 1HD1 LEU 62 2HD2 LEU 62 2.367 -9.059 -5.494 27 2HD1 LEU 62 3HD2 LEU 62 3.409 -10.534 -5.644 28 3HD1 LEU 62 1HD2 LEU 62 3.041 -9.836 -4.016 29 1HD2 LEU 62 2HD1 LEU 62 4.090 -7.828 -7.156 30 2HD2 LEU 62 3HD1 LEU 62 5.842 -7.930 -6.735 31 3HD2 LEU 62 1HD1 LEU 62 4.943 -9.423 -7.188 32 H SER 63 H SER 63 3.837 -4.780 -5.651 33 HA SER 63 HA SER 63 3.233 -3.049 -3.462 34 1HB SER 63 2HB SER 63 5.579 -2.195 -4.155 35 2HB SER 63 1HB SER 63 4.980 -2.086 -5.853 36 HG SER 63 HG SER 63 4.937 -0.115 -4.756 37 H CYS 64 H CYS 64 1.573 -1.500 -4.183 38 HA CYS 64 HA CYS 64 0.186 -2.711 -6.381 39 1HB CYS 64 2HB CYS 64 -1.793 -1.618 -5.818 40 2HB CYS 64 1HB CYS 64 -1.073 -2.173 -4.284 41 H THR 65 H THR 65 -1.134 -0.983 -7.751 42 HA THR 65 HA THR 65 0.971 -0.245 -9.425 43 HB THR 65 HB THR 65 -0.856 0.358 -11.026 44 HG1 THR 65 HG1 THR 65 -2.953 -0.114 -10.256 45 1HG2 THR 65 1HG2 THR 65 -1.148 -2.329 -9.482 46 2HG2 THR 65 2HG2 THR 65 -1.783 -1.989 -11.126 47 3HG2 THR 65 3HG2 THR 65 -0.004 -2.002 -10.821 48 H ILE 66 H ILE 66 -0.802 1.590 -7.057 49 HA ILE 66 HA ILE 66 -0.126 4.076 -8.402 50 HB ILE 66 HB ILE 66 -1.128 4.127 -5.682 51 1HG1 ILE 66 2HG1 ILE 66 -2.911 3.428 -8.102 52 2HG1 ILE 66 1HG1 ILE 66 -2.603 2.395 -6.657 53 1HG2 ILE 66 2HG2 ILE 66 -0.393 6.155 -6.984 54 2HG2 ILE 66 3HG2 ILE 66 -1.611 5.770 -8.250 55 3HG2 ILE 66 1HG2 ILE 66 -2.143 6.235 -6.591 56 1HD1 ILE 66 1HD1 ILE 66 -3.591 4.251 -5.205 57 2HD1 ILE 66 2HD1 ILE 66 -4.157 5.040 -6.727 58 3HD1 ILE 66 3HD1 ILE 66 -4.735 3.387 -6.289 59 H CYS 67 H CYS 67 0.678 1.995 -5.595 60 HA CYS 67 HA CYS 67 2.218 3.978 -4.354 61 1HB CYS 67 1HB CYS 67 2.093 0.960 -3.932 62 2HB CYS 67 2HB CYS 67 3.126 2.046 -2.950 63 H ARG 68 H ARG 68 3.007 1.686 -6.913 64 HA ARG 68 HA ARG 68 5.803 1.879 -6.376 65 1HB ARG 68 2HB ARG 68 4.518 -0.002 -7.713 66 2HB ARG 68 1HB ARG 68 4.676 1.139 -9.093 67 1HG ARG 68 2HG ARG 68 7.222 1.141 -8.653 68 2HG ARG 68 1HG ARG 68 6.930 -0.041 -7.332 69 1HD ARG 68 2HD ARG 68 7.707 -1.234 -9.330 70 2HD ARG 68 1HD ARG 68 5.947 -1.637 -9.105 71 HE ARG 68 HE ARG 68 5.991 0.643 -10.763 72 1HH1 ARG 68 1HH1 ARG 68 7.378 -2.645 -10.824 73 2HH1 ARG 68 2HH1 ARG 68 7.357 -2.777 -12.551 74 1HH2 ARG 68 1HH2 ARG 68 5.967 0.451 -13.106 75 2HH2 ARG 68 2HH2 ARG 68 6.544 -0.995 -13.865 76 H LYS 69 H LYS 69 3.352 3.875 -7.970 77 HA LYS 69 HA LYS 69 5.241 5.169 -9.679 78 1HB LYS 69 1HB LYS 69 2.406 6.017 -8.879 79 2HB LYS 69 2HB LYS 69 3.425 6.804 -10.129 80 1HG LYS 69 2HG LYS 69 3.389 4.741 -11.512 81 2HG LYS 69 1HG LYS 69 2.507 3.867 -10.215 82 1HD LYS 69 2HD LYS 69 0.897 4.466 -11.898 83 2HD LYS 69 1HD LYS 69 0.584 5.485 -10.450 84 1HE LYS 69 2HE LYS 69 1.752 7.424 -11.583 85 2HE LYS 69 1HE LYS 69 2.068 6.372 -13.023 86 1HZ LYS 69 1HZ LYS 69 -0.309 6.093 -13.256 87 2HZ LYS 69 2HZ LYS 69 -0.594 7.089 -11.911 88 3HZ LYS 69 3HZ LYS 69 0.130 7.732 -13.306 89 H ARG 70 H ARG 70 3.591 5.823 -6.488 90 HA ARG 70 HA ARG 70 4.724 8.412 -6.355 91 1HB ARG 70 2HB ARG 70 3.897 6.766 -3.941 92 2HB ARG 70 1HB ARG 70 3.868 8.546 -4.101 93 1HG ARG 70 2HG ARG 70 1.964 6.549 -5.495 94 2HG ARG 70 1HG ARG 70 1.652 7.415 -3.986 95 1HD ARG 70 2HD ARG 70 0.428 8.589 -5.662 96 2HD ARG 70 1HD ARG 70 1.879 9.636 -5.357 97 HE ARG 70 HE ARG 70 2.577 7.863 -7.464 98 1HH1 ARG 70 1HH1 ARG 70 0.122 10.366 -6.792 99 2HH1 ARG 70 2HH1 ARG 70 -0.034 10.858 -8.446 100 1HH2 ARG 70 1HH2 ARG 70 2.351 8.535 -9.703 101 2HH2 ARG 70 2HH2 ARG 70 1.250 9.804 -10.122 102 H LYS 71 H LYS 71 5.586 5.138 -5.371 103 HA LYS 71 HA LYS 71 7.294 4.184 -4.627 104 1HB LYS 71 2HB LYS 71 8.680 5.820 -6.069 105 2HB LYS 71 1HB LYS 71 8.958 6.750 -4.567 106 1HG LYS 71 2HG LYS 71 10.870 5.325 -4.986 107 2HG LYS 71 1HG LYS 71 10.023 4.735 -3.522 108 1HD LYS 71 2HD LYS 71 10.800 2.854 -4.876 109 2HD LYS 71 1HD LYS 71 9.009 2.866 -4.813 110 1HE LYS 71 2HE LYS 71 9.845 2.286 -7.095 111 2HE LYS 71 1HE LYS 71 8.950 3.855 -7.148 112 1HZ LYS 71 1HZ LYS 71 11.069 4.994 -7.034 113 2HZ LYS 71 2HZ LYS 71 11.900 3.513 -7.011 114 3HZ LYS 71 3HZ LYS 71 10.988 3.953 -8.374 115 H VAL 72 H VAL 72 5.475 4.331 -2.919 116 HA VAL 72 HA VAL 72 6.668 5.257 -0.450 117 HB VAL 72 HB VAL 72 4.252 5.169 0.338 118 1HG1 VAL 72 1HG1 VAL 72 5.499 7.307 -0.038 119 2HG1 VAL 72 2HG1 VAL 72 4.972 7.320 -1.764 120 3HG1 VAL 72 3HG1 VAL 72 3.751 7.487 -0.449 121 1HG2 VAL 72 1HG2 VAL 72 3.662 5.117 -2.698 122 2HG2 VAL 72 2HG2 VAL 72 3.189 3.893 -1.465 123 3HG2 VAL 72 3HG2 VAL 72 2.480 5.535 -1.421 124 H LYS 73 H LYS 73 5.862 3.655 1.301 125 HA LYS 73 HA LYS 73 6.272 1.045 0.166 126 1HB LYS 73 2HB LYS 73 5.960 2.026 3.040 127 2HB LYS 73 1HB LYS 73 6.076 0.280 2.617 128 1HG LYS 73 2HG LYS 73 8.172 2.347 1.772 129 2HG LYS 73 1HG LYS 73 8.264 1.432 3.326 130 1HD LYS 73 2HD LYS 73 8.296 -0.721 2.082 131 2HD LYS 73 1HD LYS 73 8.217 0.157 0.514 132 1HE LYS 73 2HE LYS 73 10.511 0.437 2.567 133 2HE LYS 73 1HE LYS 73 10.553 -0.565 1.057 134 1HZ LYS 73 3HZ LYS 73 10.171 1.436 -0.214 135 2HZ LYS 73 1HZ LYS 73 10.146 2.376 1.200 136 3HZ LYS 73 2HZ LYS 73 11.568 1.569 0.742 137 H CYS 74 H CYS 74 4.797 -0.084 -0.598 138 HA CYS 74 HA CYS 74 2.052 0.165 0.134 139 1HB CYS 74 1HB CYS 74 3.043 -0.501 -2.165 140 2HB CYS 74 2HB CYS 74 3.369 -2.103 -1.433 141 H ASP 75 H ASP 75 0.936 -2.252 0.599 142 HA ASP 75 HA ASP 75 2.219 -2.645 3.235 143 1HB ASP 75 2HB ASP 75 -0.770 -2.429 2.593 144 2HB ASP 75 1HB ASP 75 -0.069 -2.729 4.220 145 H LYS 76 H LYS 76 0.167 -3.954 0.668 146 HA LYS 76 HA LYS 76 -0.448 -5.928 0.063 147 1HB LYS 76 2HB LYS 76 1.903 -7.038 1.654 148 2HB LYS 76 1HB LYS 76 0.901 -7.959 0.480 149 1HG LYS 76 2HG LYS 76 1.678 -6.636 -1.391 150 2HG LYS 76 1HG LYS 76 2.371 -5.377 -0.314 151 1HD LYS 76 2HD LYS 76 4.182 -6.652 -1.209 152 2HD LYS 76 1HD LYS 76 4.050 -6.957 0.557 153 1HE LYS 76 2HE LYS 76 3.053 -9.205 0.125 154 2HE LYS 76 1HE LYS 76 2.980 -8.855 -1.652 155 1HZ LYS 76 3HZ LYS 76 5.374 -8.663 -1.655 156 2HZ LYS 76 1HZ LYS 76 5.441 -9.011 0.005 157 3HZ LYS 76 2HZ LYS 76 4.874 -10.183 -1.085 158 H LEU 77 H LEU 77 -2.085 -4.931 1.815 159 HA LEU 77 HA LEU 77 -2.549 -6.974 3.843 160 1HB LEU 77 2HB LEU 77 -4.335 -4.596 3.079 161 2HB LEU 77 1HB LEU 77 -4.513 -5.666 4.507 162 HG LEU 77 HG LEU 77 -2.634 -3.347 4.023 163 1HD1 LEU 77 1HD2 LEU 77 -4.513 -4.284 6.291 164 2HD1 LEU 77 2HD2 LEU 77 -3.512 -2.795 6.356 165 3HD1 LEU 77 3HD2 LEU 77 -4.810 -2.953 5.107 166 1HD2 LEU 77 2HD1 LEU 77 -2.118 -5.529 6.136 167 2HD2 LEU 77 3HD1 LEU 77 -1.035 -5.053 4.760 168 3HD2 LEU 77 1HD1 LEU 77 -1.367 -3.883 6.071 169 H ARG 78 H ARG 78 -4.783 -8.067 3.780 170 HA ARG 78 HA ARG 78 -5.689 -8.282 1.039 171 1HB ARG 78 1HB ARG 78 -6.218 -9.906 3.584 172 2HB ARG 78 2HB ARG 78 -7.018 -10.207 2.011 173 1HG ARG 78 2HG ARG 78 -3.982 -10.348 2.546 174 2HG ARG 78 1HG ARG 78 -5.080 -11.765 2.477 175 1HD ARG 78 2HD ARG 78 -5.506 -11.447 0.095 176 2HD ARG 78 1HD ARG 78 -4.660 -9.855 0.066 177 HE ARG 78 HE ARG 78 -3.392 -12.555 0.311 178 1HH1 ARG 78 1HH1 ARG 78 -3.018 -8.993 0.243 179 2HH1 ARG 78 2HH1 ARG 78 -1.318 -9.049 -0.085 180 1HH2 ARG 78 1HH2 ARG 78 -1.103 -12.593 -0.128 181 2HH2 ARG 78 2HH2 ARG 78 -0.220 -11.113 -0.297 182 HA PRO 79 HA PRO 79 -7.542 -8.205 -0.120 183 1HB PRO 79 1HB PRO 79 -9.457 -6.499 -1.219 184 2HB PRO 79 2HB PRO 79 -9.865 -8.066 -0.407 185 1HG PRO 79 2HG PRO 79 -10.009 -5.245 0.750 186 2HG PRO 79 1HG PRO 79 -11.181 -6.613 0.949 187 1HD PRO 79 2HD PRO 79 -9.213 -5.948 2.846 188 2HD PRO 79 1HD PRO 79 -9.794 -7.659 2.599 189 H HIS 80 H HIS 80 -8.011 -4.687 0.810 190 HA HIS 80 HA HIS 80 -6.034 -4.046 -1.256 191 1HB HIS 80 1HB HIS 80 -8.289 -2.328 -0.086 192 2HB HIS 80 2HB HIS 80 -7.177 -1.849 -1.423 193 HD1 HIS 80 HD1 HIS 80 -7.304 -3.826 -3.521 194 HD2 HIS 80 HD2 HIS 80 -10.650 -3.374 -1.031 195 HE1 HIS 80 HE1 HIS 80 -9.326 -4.826 -4.720 196 H CYS 81 H CYS 81 -4.743 -2.043 -0.808 197 HA CYS 81 HA CYS 81 -3.597 -2.518 1.750 198 1HB CYS 81 2HB CYS 81 -1.650 -1.548 0.986 199 2HB CYS 81 1HB CYS 81 -2.326 -2.164 -0.537 200 H GLN 82 H GLN 82 -2.788 -0.657 3.036 201 HA GLN 82 HA GLN 82 -4.946 0.558 4.134 202 1HB GLN 82 2HB GLN 82 -2.006 1.364 4.394 203 2HB GLN 82 1HB GLN 82 -3.312 1.838 5.541 204 1HG GLN 82 2HG GLN 82 -3.705 -0.513 6.161 205 2HG GLN 82 1HG GLN 82 -2.559 -1.091 4.891 206 1HE2 GLN 82 2HE2 GLN 82 -0.289 -1.427 7.530 207 2HE2 GLN 82 1HE2 GLN 82 -1.457 -2.214 6.509 208 H GLN 83 H GLN 83 -2.888 1.956 1.572 209 HA GLN 83 HA GLN 83 -3.568 4.608 2.253 210 1HB GLN 83 1HB GLN 83 -2.283 3.365 -0.233 211 2HB GLN 83 2HB GLN 83 -2.493 5.129 0.051 212 1HG GLN 83 2HG GLN 83 -1.115 4.964 2.150 213 2HG GLN 83 1HG GLN 83 -0.896 3.193 1.870 214 1HE2 GLN 83 2HE2 GLN 83 2.097 3.903 0.213 215 2HE2 GLN 83 1HE2 GLN 83 1.286 3.146 1.542 216 H CYS 84 H CYS 84 -4.496 2.391 -0.577 217 HA CYS 84 HA CYS 84 -6.406 4.008 -1.484 218 1HB CYS 84 2HB CYS 84 -5.977 0.971 -1.624 219 2HB CYS 84 1HB CYS 84 -6.858 1.946 -2.835 220 H THR 85 H THR 85 -6.602 1.845 1.298 221 HA THR 85 HA THR 85 -9.434 1.484 0.981 222 HB THR 85 HB THR 85 -7.604 1.013 3.377 223 HG1 THR 85 HG1 THR 85 -8.794 -0.679 1.438 224 1HG2 THR 85 3HG2 THR 85 -10.568 0.267 2.839 225 2HG2 THR 85 1HG2 THR 85 -9.556 -0.464 4.135 226 3HG2 THR 85 2HG2 THR 85 -9.950 1.283 4.203 227 H LYS 86 H LYS 86 -7.127 3.671 2.605 228 HA LYS 86 HA LYS 86 -9.101 4.946 4.151 229 1HB LYS 86 1HB LYS 86 -6.662 4.726 4.748 230 2HB LYS 86 2HB LYS 86 -6.422 5.980 3.489 231 1HG LYS 86 2HG LYS 86 -6.390 6.990 5.717 232 2HG LYS 86 1HG LYS 86 -7.831 7.584 4.836 233 1HD LYS 86 2HD LYS 86 -9.262 5.941 6.102 234 2HD LYS 86 1HD LYS 86 -7.791 5.290 6.906 235 1HE LYS 86 2HE LYS 86 -9.004 6.843 8.425 236 2HE LYS 86 1HE LYS 86 -7.403 7.561 7.970 237 1HZ LYS 86 2HZ LYS 86 -8.538 8.865 6.297 238 2HZ LYS 86 3HZ LYS 86 -10.035 8.195 6.738 239 3HZ LYS 86 1HZ LYS 86 -9.176 9.154 7.844 240 H THR 87 H THR 87 -7.640 5.485 0.925 241 HA THR 87 HA THR 87 -8.667 8.141 0.760 242 HB THR 87 HB THR 87 -7.449 6.253 -1.317 243 HG1 THR 87 HG1 THR 87 -6.469 8.502 0.102 244 1HG2 THR 87 3HG2 THR 87 -8.227 9.254 -1.453 245 2HG2 THR 87 1HG2 THR 87 -7.157 8.410 -2.638 246 3HG2 THR 87 2HG2 THR 87 -8.870 7.914 -2.489 247 H GLY 88 H GLY 88 -9.295 4.946 -0.804 248 1HA GLY 88 1HA GLY 88 -11.524 4.205 -1.003 249 2HA GLY 88 2HA GLY 88 -12.008 5.904 -1.399 250 H VAL 89 H VAL 89 -8.902 4.829 -2.547 251 HA VAL 89 HA VAL 89 -10.045 4.408 -5.180 252 HB VAL 89 HB VAL 89 -7.904 4.663 -6.186 253 1HG1 VAL 89 3HG2 VAL 89 -9.312 6.660 -5.784 254 2HG1 VAL 89 1HG2 VAL 89 -8.491 6.934 -4.207 255 3HG1 VAL 89 2HG2 VAL 89 -7.551 7.058 -5.733 256 1HG2 VAL 89 3HG1 VAL 89 -6.815 4.614 -3.299 257 2HG2 VAL 89 1HG1 VAL 89 -6.324 3.742 -4.810 258 3HG2 VAL 89 2HG1 VAL 89 -5.941 5.485 -4.621 259 H ALA 90 H ALA 90 -10.516 2.366 -3.301 260 HA ALA 90 HA ALA 90 -8.369 0.537 -3.256 261 1HB ALA 90 1HB ALA 90 -11.344 -0.014 -2.787 262 2HB ALA 90 3HB ALA 90 -9.980 -1.143 -2.438 263 3HB ALA 90 2HB ALA 90 -10.122 0.408 -1.516 264 H HIS 91 H HIS 91 -10.722 1.330 -5.602 265 HA HIS 91 HA HIS 91 -10.843 -1.056 -7.093 266 1HB HIS 91 2HB HIS 91 -11.218 0.529 -9.040 267 2HB HIS 91 1HB HIS 91 -12.448 0.588 -7.700 268 HD1 HIS 91 HD1 HIS 91 -11.665 2.802 -5.930 269 HD2 HIS 91 HD2 HIS 91 -11.042 2.946 -10.071 270 HE1 HIS 91 HE1 HIS 91 -11.541 5.257 -6.632 271 H LEU 92 H LEU 92 -8.583 1.731 -6.904 272 HA LEU 92 HA LEU 92 -7.091 0.638 -9.113 273 1HB LEU 92 1HB LEU 92 -6.594 3.088 -7.314 274 2HB LEU 92 2HB LEU 92 -5.743 2.712 -8.845 275 HG LEU 92 HG LEU 92 -8.677 3.497 -8.455 276 1HD1 LEU 92 2HD1 LEU 92 -7.109 5.398 -8.420 277 2HD1 LEU 92 3HD1 LEU 92 -6.399 4.880 -9.997 278 3HD1 LEU 92 1HD1 LEU 92 -8.119 5.427 -9.915 279 1HD2 LEU 92 3HD2 LEU 92 -7.273 2.476 -10.998 280 2HD2 LEU 92 1HD2 LEU 92 -8.651 1.720 -10.115 281 3HD2 LEU 92 2HD2 LEU 92 -8.894 3.290 -10.976 282 H CYS 93 H CYS 93 -7.431 -0.411 -6.275 283 HA CYS 93 HA CYS 93 -4.533 -0.642 -5.703 284 1HB CYS 93 1HB CYS 93 -6.112 -0.082 -3.800 285 2HB CYS 93 2HB CYS 93 -6.759 -1.740 -3.932 286 H HIS 94 H HIS 94 -3.688 -2.192 -7.079 287 HA HIS 94 HA HIS 94 -4.573 -4.842 -6.354 288 1HB HIS 94 2HB HIS 94 -4.113 -3.961 -9.275 289 2HB HIS 94 1HB HIS 94 -4.205 -5.670 -8.704 290 HD1 HIS 94 HD1 HIS 94 -6.659 -6.267 -7.509 291 HD2 HIS 94 HD2 HIS 94 -6.569 -2.851 -9.943 292 HE1 HIS 94 HE1 HIS 94 -9.070 -5.632 -8.077 293 H TYR 95 H TYR 95 -2.774 -6.139 -6.080 294 HA TYR 95 HA TYR 95 -0.260 -4.719 -6.346 295 1HB TYR 95 1HB TYR 95 -0.590 -7.582 -5.318 296 2HB TYR 95 2HB TYR 95 0.810 -6.457 -5.048 297 HD1 TYR 95 HD1 TYR 95 0.523 -4.530 -3.333 298 HD2 TYR 95 HD2 TYR 95 -2.559 -7.420 -4.174 299 HE1 TYR 95 HE1 TYR 95 -0.732 -3.778 -1.445 300 HE2 TYR 95 HE2 TYR 95 -3.799 -6.623 -2.216 301 HH TYR 95 HH TYR 95 -3.863 -5.163 -0.543 302 H MET 96 H MET 96 1.501 -5.591 -7.586 303 HA MET 96 HA MET 96 0.664 -6.638 -10.044 304 1HB MET 96 1HB MET 96 3.382 -6.233 -8.977 305 2HB MET 96 2HB MET 96 3.001 -6.547 -10.703 306 1HG MET 96 2HG MET 96 1.672 -4.451 -10.809 307 2HG MET 96 1HG MET 96 1.979 -4.127 -9.079 308 1HE MET 96 1HE MET 96 2.636 -1.875 -9.349 309 2HE MET 96 2HE MET 96 3.772 -1.219 -10.574 310 3HE MET 96 3HE MET 96 2.256 -2.020 -11.100 311 H GLU 97 H GLU 97 1.678 -8.595 -11.098 312 HA GLU 97 HA GLU 97 1.179 -10.755 -9.342 313 1HB GLU 97 1HB GLU 97 1.471 -12.231 -11.267 314 2HB GLU 97 2HB GLU 97 0.432 -10.838 -11.707 315 1HG GLU 97 2HG GLU 97 2.394 -9.756 -12.871 316 2HG GLU 97 1HG GLU 97 3.432 -11.177 -12.450 317 H GLN 98 H GLN 98 2.557 -12.638 -9.059 318 HA GLN 98 HA GLN 98 5.379 -12.061 -8.875 319 1HB GLN 98 1HB GLN 98 3.761 -14.671 -8.613 320 2HB GLN 98 2HB GLN 98 5.540 -14.547 -8.374 321 1HG GLN 98 2HG GLN 98 5.177 -13.001 -6.430 322 2HG GLN 98 1HG GLN 98 3.389 -13.123 -6.665 323 1HE2 GLN 98 2HE2 GLN 98 5.447 -15.971 -4.602 324 2HE2 GLN 98 1HE2 GLN 98 6.112 -14.449 -5.096 325 H THR 99 H THR 99 6.407 -11.855 -10.810 326 HA THR 99 HA THR 99 5.214 -13.028 -13.120 327 HB THR 99 HB THR 99 6.006 -10.880 -13.541 328 HG1 THR 99 HG1 THR 99 7.687 -11.263 -14.996 329 1HG2 THR 99 2HG2 THR 99 8.684 -11.707 -12.216 330 2HG2 THR 99 3HG2 THR 99 8.347 -10.147 -13.045 331 3HG2 THR 99 1HG2 THR 99 7.451 -10.566 -11.547 332 H TRP 100 H TRP 100 5.857 -14.738 -14.273 333 HA TRP 100 HA TRP 100 7.097 -16.618 -12.598 334 1HB TRP 100 1HB TRP 100 6.363 -17.208 -15.479 335 2HB TRP 100 2HB TRP 100 6.150 -18.249 -14.025 336 HD1 TRP 100 HD1 TRP 100 4.172 -16.787 -12.176 337 HE1 TRP 100 HE1 TRP 100 2.026 -15.585 -12.899 338 HE3 TRP 100 HE3 TRP 100 5.083 -16.501 -17.162 339 HZ2 TRP 100 HZ2 TRP 100 0.767 -14.855 -15.323 340 HZ3 TRP 100 HZ3 TRP 100 3.377 -15.535 -18.629 341 HH2 TRP 100 HH2 TRP 100 1.253 -14.726 -17.729 No H/Q in entry = 341 Start of MODEL 5 1 1H ILE 60 2H ILE 60 4.923 -5.666 1.665 2 2H ILE 60 3H ILE 60 5.248 -7.123 2.476 3 3H ILE 60 1H ILE 60 5.387 -5.643 3.299 4 HA ILE 60 HA ILE 60 7.159 -4.995 1.912 5 HB ILE 60 HB ILE 60 7.706 -7.589 3.172 6 1HG1 ILE 60 2HG1 ILE 60 6.580 -6.092 4.756 7 2HG1 ILE 60 1HG1 ILE 60 8.299 -6.328 5.176 8 1HG2 ILE 60 2HG2 ILE 60 9.544 -5.276 2.300 9 2HG2 ILE 60 3HG2 ILE 60 10.037 -6.557 3.466 10 3HG2 ILE 60 1HG2 ILE 60 9.635 -7.003 1.780 11 1HD1 ILE 60 1HD1 ILE 60 8.869 -4.076 4.212 12 2HD1 ILE 60 2HD1 ILE 60 7.131 -3.818 3.800 13 3HD1 ILE 60 3HD1 ILE 60 7.638 -3.970 5.519 14 HA PRO 61 HA PRO 61 7.872 -8.004 -1.541 15 1HB PRO 61 2HB PRO 61 6.180 -10.211 -1.911 16 2HB PRO 61 1HB PRO 61 7.765 -10.306 -1.037 17 1HG PRO 61 2HG PRO 61 4.962 -10.036 0.152 18 2HG PRO 61 1HG PRO 61 6.326 -11.095 0.704 19 1HD PRO 61 2HD PRO 61 5.757 -8.663 1.904 20 2HD PRO 61 1HD PRO 61 7.478 -9.232 1.691 21 H LEU 62 H LEU 62 7.103 -6.789 -3.138 22 HA LEU 62 HA LEU 62 5.879 -5.830 -4.590 23 1HB LEU 62 2HB LEU 62 3.428 -7.366 -3.617 24 2HB LEU 62 1HB LEU 62 3.508 -6.359 -5.086 25 HG LEU 62 HG LEU 62 5.066 -8.960 -4.605 26 1HD1 LEU 62 3HD1 LEU 62 2.645 -8.203 -6.353 27 2HD1 LEU 62 1HD1 LEU 62 3.540 -9.772 -6.473 28 3HD1 LEU 62 2HD1 LEU 62 2.671 -9.333 -4.953 29 1HD2 LEU 62 1HD2 LEU 62 5.038 -7.072 -7.048 30 2HD2 LEU 62 2HD2 LEU 62 6.455 -7.482 -6.011 31 3HD2 LEU 62 3HD2 LEU 62 5.699 -8.748 -7.040 32 H SER 63 H SER 63 4.353 -4.242 -5.070 33 HA SER 63 HA SER 63 3.031 -2.988 -2.791 34 1HB SER 63 1HB SER 63 3.675 -0.723 -3.819 35 2HB SER 63 2HB SER 63 5.141 -1.620 -3.266 36 HG SER 63 HG SER 63 4.055 -1.558 -5.887 37 H CYS 64 H CYS 64 1.420 -1.301 -3.892 38 HA CYS 64 HA CYS 64 0.265 -2.778 -6.105 39 1HB CYS 64 2HB CYS 64 -1.766 -1.628 -5.957 40 2HB CYS 64 1HB CYS 64 -1.323 -2.193 -4.330 41 H THR 65 H THR 65 -0.779 -1.173 -7.864 42 HA THR 65 HA THR 65 1.567 -0.514 -9.198 43 HB THR 65 HB THR 65 0.316 -0.885 -10.990 44 HG1 THR 65 HG1 THR 65 -1.231 0.634 -11.572 45 1HG2 THR 65 3HG2 THR 65 -2.135 -0.729 -9.089 46 2HG2 THR 65 1HG2 THR 65 -2.146 -1.348 -10.771 47 3HG2 THR 65 2HG2 THR 65 -1.206 -2.222 -9.522 48 H ILE 66 H ILE 66 -0.796 1.434 -7.460 49 HA ILE 66 HA ILE 66 0.148 3.891 -8.588 50 HB ILE 66 HB ILE 66 -1.288 4.045 -6.092 51 1HG1 ILE 66 2HG1 ILE 66 -2.668 2.841 -8.580 52 2HG1 ILE 66 1HG1 ILE 66 -2.415 2.022 -6.991 53 1HG2 ILE 66 2HG2 ILE 66 -0.605 5.955 -7.577 54 2HG2 ILE 66 3HG2 ILE 66 -1.636 5.290 -8.895 55 3HG2 ILE 66 1HG2 ILE 66 -2.389 5.889 -7.366 56 1HD1 ILE 66 2HD1 ILE 66 -3.784 3.788 -5.862 57 2HD1 ILE 66 3HD1 ILE 66 -4.226 4.447 -7.488 58 3HD1 ILE 66 1HD1 ILE 66 -4.691 2.764 -7.031 59 H CYS 67 H CYS 67 0.677 1.854 -5.741 60 HA CYS 67 HA CYS 67 1.986 3.880 -4.245 61 1HB CYS 67 1HB CYS 67 1.659 0.875 -3.995 62 2HB CYS 67 2HB CYS 67 2.811 1.711 -2.926 63 H ARG 68 H ARG 68 2.958 1.656 -6.781 64 HA ARG 68 HA ARG 68 5.721 1.874 -6.134 65 1HB ARG 68 2HB ARG 68 4.618 -0.049 -7.474 66 2HB ARG 68 1HB ARG 68 4.445 1.116 -8.825 67 1HG ARG 68 2HG ARG 68 6.373 -0.364 -9.149 68 2HG ARG 68 1HG ARG 68 6.953 1.319 -8.957 69 1HD ARG 68 2HD ARG 68 7.619 0.846 -6.588 70 2HD ARG 68 1HD ARG 68 6.969 -0.833 -6.719 71 HE ARG 68 HE ARG 68 9.440 0.267 -7.981 72 1HH1 ARG 68 1HH1 ARG 68 7.101 -2.430 -7.760 73 2HH1 ARG 68 2HH1 ARG 68 8.195 -3.608 -8.406 74 1HH2 ARG 68 1HH2 ARG 68 10.895 -1.336 -8.844 75 2HH2 ARG 68 2HH2 ARG 68 10.375 -2.979 -9.030 76 H LYS 69 H LYS 69 3.269 3.701 -7.905 77 HA LYS 69 HA LYS 69 5.082 5.047 -9.564 78 1HB LYS 69 2HB LYS 69 2.643 4.691 -10.078 79 2HB LYS 69 1HB LYS 69 2.240 5.883 -8.795 80 1HG LYS 69 2HG LYS 69 2.085 6.935 -10.970 81 2HG LYS 69 1HG LYS 69 3.471 7.669 -10.103 82 1HD LYS 69 2HD LYS 69 5.054 6.256 -11.436 83 2HD LYS 69 1HD LYS 69 3.660 5.448 -12.240 84 1HE LYS 69 2HE LYS 69 2.973 7.643 -13.254 85 2HE LYS 69 1HE LYS 69 4.378 8.452 -12.441 86 1HZ LYS 69 1HZ LYS 69 4.534 6.218 -14.398 87 2HZ LYS 69 2HZ LYS 69 4.855 7.856 -14.709 88 3HZ LYS 69 3HZ LYS 69 5.847 6.985 -13.641 89 H ARG 70 H ARG 70 3.365 5.933 -6.425 90 HA ARG 70 HA ARG 70 4.670 8.441 -6.408 91 1HB ARG 70 2HB ARG 70 3.739 7.157 -3.839 92 2HB ARG 70 1HB ARG 70 3.640 8.873 -4.345 93 1HG ARG 70 2HG ARG 70 1.863 6.518 -5.223 94 2HG ARG 70 1HG ARG 70 1.436 7.840 -4.133 95 1HD ARG 70 2HD ARG 70 1.671 9.482 -6.092 96 2HD ARG 70 1HD ARG 70 1.858 8.048 -7.187 97 HE ARG 70 HE ARG 70 -0.438 7.605 -5.556 98 1HH1 ARG 70 1HH1 ARG 70 0.751 9.907 -8.009 99 2HH1 ARG 70 2HH1 ARG 70 -0.827 10.348 -8.572 100 1HH2 ARG 70 1HH2 ARG 70 -2.576 8.213 -6.328 101 2HH2 ARG 70 2HH2 ARG 70 -2.743 9.372 -7.603 102 H LYS 71 H LYS 71 5.213 5.188 -5.147 103 HA LYS 71 HA LYS 71 6.839 4.160 -4.277 104 1HB LYS 71 2HB LYS 71 8.468 5.502 -5.689 105 2HB LYS 71 1HB LYS 71 8.735 6.536 -4.244 106 1HG LYS 71 2HG LYS 71 8.880 3.733 -3.418 107 2HG LYS 71 1HG LYS 71 9.819 3.913 -4.922 108 1HD LYS 71 2HD LYS 71 11.129 5.793 -3.854 109 2HD LYS 71 1HD LYS 71 10.094 5.650 -2.385 110 1HE LYS 71 2HE LYS 71 12.292 4.519 -2.026 111 2HE LYS 71 1HE LYS 71 10.946 3.305 -2.016 112 1HZ LYS 71 2HZ LYS 71 11.467 2.800 -4.307 113 2HZ LYS 71 3HZ LYS 71 12.730 3.936 -4.310 114 3HZ LYS 71 1HZ LYS 71 12.819 2.571 -3.304 115 H VAL 72 H VAL 72 5.347 4.045 -2.623 116 HA VAL 72 HA VAL 72 6.334 5.161 -0.148 117 HB VAL 72 HB VAL 72 3.844 4.740 0.543 118 1HG1 VAL 72 1HG1 VAL 72 5.029 6.946 0.678 119 2HG1 VAL 72 2HG1 VAL 72 4.652 7.262 -1.059 120 3HG1 VAL 72 3HG1 VAL 72 3.319 7.168 0.150 121 1HG2 VAL 72 1HG2 VAL 72 3.079 3.818 -1.667 122 2HG2 VAL 72 2HG2 VAL 72 2.144 5.268 -1.173 123 3HG2 VAL 72 3HG2 VAL 72 3.402 5.414 -2.444 124 H LYS 73 H LYS 73 5.918 3.482 1.573 125 HA LYS 73 HA LYS 73 6.199 0.904 0.327 126 1HB LYS 73 2HB LYS 73 6.355 1.786 3.245 127 2HB LYS 73 1HB LYS 73 6.478 0.065 2.725 128 1HG LYS 73 2HG LYS 73 8.299 2.292 1.662 129 2HG LYS 73 1HG LYS 73 8.702 1.282 3.105 130 1HD LYS 73 2HD LYS 73 8.654 -0.769 1.694 131 2HD LYS 73 1HD LYS 73 8.224 0.213 0.248 132 1HE LYS 73 2HE LYS 73 10.387 1.463 0.423 133 2HE LYS 73 1HE LYS 73 10.846 0.458 1.859 134 1HZ LYS 73 1HZ LYS 73 10.673 -1.496 0.469 135 2HZ LYS 73 2HZ LYS 73 10.249 -0.548 -0.875 136 3HZ LYS 73 3HZ LYS 73 11.785 -0.382 -0.169 137 H CYS 74 H CYS 74 4.672 -0.274 -0.182 138 HA CYS 74 HA CYS 74 2.059 0.109 1.005 139 1HB CYS 74 2HB CYS 74 2.219 0.438 -1.313 140 2HB CYS 74 1HB CYS 74 3.112 -1.040 -1.607 141 H ASP 75 H ASP 75 0.786 -2.261 0.894 142 HA ASP 75 HA ASP 75 2.162 -2.865 3.381 143 1HB ASP 75 2HB ASP 75 -0.814 -2.726 2.647 144 2HB ASP 75 1HB ASP 75 -0.190 -3.154 4.284 145 H LYS 76 H LYS 76 -0.193 -4.363 1.125 146 HA LYS 76 HA LYS 76 -0.805 -6.401 0.728 147 1HB LYS 76 1HB LYS 76 1.777 -7.368 2.071 148 2HB LYS 76 2HB LYS 76 0.479 -8.471 1.532 149 1HG LYS 76 2HG LYS 76 1.819 -6.516 -0.420 150 2HG LYS 76 1HG LYS 76 2.434 -8.167 -0.049 151 1HD LYS 76 2HD LYS 76 0.173 -9.114 -0.604 152 2HD LYS 76 1HD LYS 76 -0.333 -7.503 -1.215 153 1HE LYS 76 2HE LYS 76 1.408 -7.600 -2.977 154 2HE LYS 76 1HE LYS 76 2.086 -9.127 -2.268 155 1HZ LYS 76 2HZ LYS 76 -0.011 -10.202 -2.710 156 2HZ LYS 76 3HZ LYS 76 -0.647 -8.776 -3.381 157 3HZ LYS 76 1HZ LYS 76 0.661 -9.557 -4.131 158 H LEU 77 H LEU 77 -2.421 -5.432 2.191 159 HA LEU 77 HA LEU 77 -2.602 -6.875 4.728 160 1HB LEU 77 1HB LEU 77 -4.588 -4.926 3.375 161 2HB LEU 77 2HB LEU 77 -4.766 -5.671 5.000 162 HG LEU 77 HG LEU 77 -2.963 -3.404 4.070 163 1HD1 LEU 77 1HD2 LEU 77 -4.881 -3.883 6.444 164 2HD1 LEU 77 2HD2 LEU 77 -3.899 -2.399 6.208 165 3HD1 LEU 77 3HD2 LEU 77 -5.172 -2.838 5.001 166 1HD2 LEU 77 1HD1 LEU 77 -2.466 -5.148 6.553 167 2HD2 LEU 77 2HD1 LEU 77 -1.384 -4.909 5.122 168 3HD2 LEU 77 3HD1 LEU 77 -1.714 -3.526 6.232 169 H ARG 78 H ARG 78 -3.598 -6.580 1.474 170 HA ARG 78 HA ARG 78 -4.821 -7.338 0.101 171 1HB ARG 78 1HB ARG 78 -5.085 -10.041 1.381 172 2HB ARG 78 2HB ARG 78 -4.996 -9.453 -0.336 173 1HG ARG 78 2HG ARG 78 -2.624 -8.803 -0.037 174 2HG ARG 78 1HG ARG 78 -2.646 -9.519 1.616 175 1HD ARG 78 2HD ARG 78 -3.243 -11.767 0.631 176 2HD ARG 78 1HD ARG 78 -3.164 -11.026 -1.032 177 HE ARG 78 HE ARG 78 -0.738 -10.475 0.476 178 1HH1 ARG 78 1HH1 ARG 78 -2.511 -13.010 -1.300 179 2HH1 ARG 78 2HH1 ARG 78 -1.087 -13.859 -1.801 180 1HH2 ARG 78 1HH2 ARG 78 1.187 -11.634 -0.206 181 2HH2 ARG 78 2HH2 ARG 78 1.046 -13.066 -1.170 182 HA PRO 79 HA PRO 79 -6.498 -7.958 -1.381 183 1HB PRO 79 2HB PRO 79 -8.745 -6.669 -2.464 184 2HB PRO 79 1HB PRO 79 -8.705 -8.422 -2.010 185 1HG PRO 79 2HG PRO 79 -9.799 -6.072 -0.390 186 2HG PRO 79 1HG PRO 79 -10.527 -7.716 -0.628 187 1HD PRO 79 2HD PRO 79 -9.071 -7.010 1.640 188 2HD PRO 79 1HD PRO 79 -8.974 -8.692 0.934 189 H HIS 80 H HIS 80 -7.811 -4.948 0.262 190 HA HIS 80 HA HIS 80 -6.292 -3.381 -1.627 191 1HB HIS 80 2HB HIS 80 -7.935 -2.183 0.570 192 2HB HIS 80 1HB HIS 80 -7.784 -1.649 -1.116 193 HD1 HIS 80 HD1 HIS 80 -8.908 -3.943 -2.796 194 HD2 HIS 80 HD2 HIS 80 -10.547 -2.696 0.844 195 HE1 HIS 80 HE1 HIS 80 -11.363 -4.666 -2.760 196 H CYS 81 H CYS 81 -5.192 -1.420 -0.532 197 HA CYS 81 HA CYS 81 -3.818 -2.492 1.846 198 1HB CYS 81 2HB CYS 81 -1.848 -1.371 1.177 199 2HB CYS 81 1HB CYS 81 -2.479 -2.131 -0.313 200 H GLN 82 H GLN 82 -2.820 -0.607 3.164 201 HA GLN 82 HA GLN 82 -4.831 0.819 4.360 202 1HB GLN 82 2HB GLN 82 -1.806 1.273 4.304 203 2HB GLN 82 1HB GLN 82 -2.890 2.343 5.248 204 1HG GLN 82 2HG GLN 82 -2.840 -0.701 5.682 205 2HG GLN 82 1HG GLN 82 -1.764 0.447 6.566 206 1HE2 GLN 82 2HE2 GLN 82 -5.712 0.071 7.620 207 2HE2 GLN 82 1HE2 GLN 82 -4.962 -0.920 6.414 208 H GLN 83 H GLN 83 -2.611 1.955 1.751 209 HA GLN 83 HA GLN 83 -3.171 4.631 2.118 210 1HB GLN 83 1HB GLN 83 -2.332 3.201 -0.465 211 2HB GLN 83 2HB GLN 83 -2.143 4.940 -0.096 212 1HG GLN 83 2HG GLN 83 -0.703 2.592 1.325 213 2HG GLN 83 1HG GLN 83 0.018 3.737 0.138 214 1HE2 GLN 83 2HE2 GLN 83 -0.012 6.602 2.369 215 2HE2 GLN 83 1HE2 GLN 83 -0.307 6.163 0.719 216 H CYS 84 H CYS 84 -4.535 2.283 -0.494 217 HA CYS 84 HA CYS 84 -6.398 4.150 -1.139 218 1HB CYS 84 1HB CYS 84 -6.731 1.475 -2.149 219 2HB CYS 84 2HB CYS 84 -6.752 2.847 -2.787 220 H THR 85 H THR 85 -6.514 2.088 1.620 221 HA THR 85 HA THR 85 -9.367 1.792 1.464 222 HB THR 85 HB THR 85 -7.471 1.813 3.863 223 HG1 THR 85 HG1 THR 85 -7.296 0.101 2.378 224 1HG2 THR 85 3HG2 THR 85 -10.494 1.148 3.625 225 2HG2 THR 85 1HG2 THR 85 -9.456 0.699 5.028 226 3HG2 THR 85 2HG2 THR 85 -9.756 2.427 4.670 227 H LYS 86 H LYS 86 -6.915 4.166 2.557 228 HA LYS 86 HA LYS 86 -8.803 5.885 3.718 229 1HB LYS 86 1HB LYS 86 -5.927 6.098 3.157 230 2HB LYS 86 2HB LYS 86 -6.852 7.411 3.951 231 1HG LYS 86 2HG LYS 86 -7.477 5.885 5.807 232 2HG LYS 86 1HG LYS 86 -6.659 4.510 4.993 233 1HD LYS 86 2HD LYS 86 -4.467 5.737 5.152 234 2HD LYS 86 1HD LYS 86 -5.293 7.047 6.072 235 1HE LYS 86 2HE LYS 86 -5.912 5.391 7.868 236 2HE LYS 86 1HE LYS 86 -5.098 4.074 6.923 237 1HZ LYS 86 2HZ LYS 86 -3.795 6.529 7.982 238 2HZ LYS 86 3HZ LYS 86 -3.691 4.966 8.637 239 3HZ LYS 86 1HZ LYS 86 -3.039 5.289 7.103 240 H THR 87 H THR 87 -7.342 5.647 0.348 241 HA THR 87 HA THR 87 -8.142 8.355 -0.131 242 HB THR 87 HB THR 87 -7.099 6.086 -1.896 243 HG1 THR 87 HG1 THR 87 -5.696 6.983 -0.323 244 1HG2 THR 87 1HG2 THR 87 -7.688 9.074 -2.482 245 2HG2 THR 87 2HG2 THR 87 -6.694 7.996 -3.536 246 3HG2 THR 87 3HG2 THR 87 -8.423 7.612 -3.278 247 H GLY 88 H GLY 88 -8.989 4.927 -0.823 248 1HA GLY 88 1HA GLY 88 -11.210 4.272 -0.815 249 2HA GLY 88 2HA GLY 88 -11.664 5.850 -1.590 250 H VAL 89 H VAL 89 -8.627 4.583 -2.564 251 HA VAL 89 HA VAL 89 -9.788 3.669 -5.002 252 HB VAL 89 HB VAL 89 -7.860 3.783 -6.265 253 1HG1 VAL 89 3HG1 VAL 89 -9.281 5.474 -5.395 254 2HG1 VAL 89 1HG1 VAL 89 -7.921 5.763 -4.066 255 3HG1 VAL 89 2HG1 VAL 89 -7.629 6.162 -5.871 256 1HG2 VAL 89 2HG2 VAL 89 -6.265 4.543 -3.688 257 2HG2 VAL 89 3HG2 VAL 89 -5.866 3.209 -4.835 258 3HG2 VAL 89 1HG2 VAL 89 -5.799 4.922 -5.381 259 H ALA 90 H ALA 90 -10.323 2.078 -2.988 260 HA ALA 90 HA ALA 90 -8.392 0.134 -3.007 261 1HB ALA 90 1HB ALA 90 -11.446 0.053 -2.461 262 2HB ALA 90 3HB ALA 90 -10.445 -1.423 -2.297 263 3HB ALA 90 2HB ALA 90 -10.128 0.006 -1.219 264 H HIS 91 H HIS 91 -10.985 1.180 -5.130 265 HA HIS 91 HA HIS 91 -11.382 -1.095 -6.728 266 1HB HIS 91 2HB HIS 91 -12.106 0.468 -8.488 267 2HB HIS 91 1HB HIS 91 -13.068 0.665 -6.952 268 HD1 HIS 91 HD1 HIS 91 -11.212 2.763 -5.612 269 HD2 HIS 91 HD2 HIS 91 -12.164 2.855 -9.683 270 HE1 HIS 91 HE1 HIS 91 -10.574 5.036 -6.497 271 H LEU 92 H LEU 92 -9.193 1.841 -6.828 272 HA LEU 92 HA LEU 92 -7.963 0.488 -9.122 273 1HB LEU 92 2HB LEU 92 -6.759 2.934 -7.780 274 2HB LEU 92 1HB LEU 92 -6.380 2.260 -9.396 275 HG LEU 92 HG LEU 92 -8.956 3.637 -8.498 276 1HD1 LEU 92 2HD1 LEU 92 -7.069 5.147 -9.077 277 2HD1 LEU 92 3HD1 LEU 92 -6.914 4.359 -10.694 278 3HD1 LEU 92 1HD1 LEU 92 -8.410 5.279 -10.277 279 1HD2 LEU 92 3HD2 LEU 92 -8.394 2.137 -11.132 280 2HD2 LEU 92 1HD2 LEU 92 -9.614 1.720 -9.876 281 3HD2 LEU 92 2HD2 LEU 92 -9.813 3.230 -10.844 282 H CYS 93 H CYS 93 -7.909 -0.318 -6.181 283 HA CYS 93 HA CYS 93 -4.979 -0.580 -5.909 284 1HB CYS 93 1HB CYS 93 -6.275 -0.081 -3.830 285 2HB CYS 93 2HB CYS 93 -7.016 -1.716 -3.938 286 H HIS 94 H HIS 94 -3.944 -2.170 -6.927 287 HA HIS 94 HA HIS 94 -4.822 -4.838 -6.332 288 1HB HIS 94 2HB HIS 94 -4.191 -3.922 -9.215 289 2HB HIS 94 1HB HIS 94 -4.263 -5.632 -8.648 290 HD1 HIS 94 HD1 HIS 94 -6.810 -6.349 -7.752 291 HD2 HIS 94 HD2 HIS 94 -6.606 -2.816 -10.005 292 HE1 HIS 94 HE1 HIS 94 -9.178 -5.751 -8.509 293 H TYR 95 H TYR 95 -3.008 -6.039 -5.898 294 HA TYR 95 HA TYR 95 -0.477 -4.637 -6.348 295 1HB TYR 95 1HB TYR 95 -0.579 -7.358 -5.036 296 2HB TYR 95 2HB TYR 95 0.650 -6.044 -4.856 297 HD1 TYR 95 HD2 TYR 95 0.092 -4.122 -3.184 298 HD2 TYR 95 HD1 TYR 95 -2.493 -7.481 -3.837 299 HE1 TYR 95 HE2 TYR 95 -1.115 -3.610 -1.146 300 HE2 TYR 95 HE1 TYR 95 -3.618 -6.993 -1.720 301 HH TYR 95 HH TYR 95 -3.735 -5.669 0.060 302 H MET 96 H MET 96 1.070 -5.498 -7.806 303 HA MET 96 HA MET 96 0.100 -7.749 -9.367 304 1HB MET 96 1HB MET 96 1.179 -6.455 -11.273 305 2HB MET 96 2HB MET 96 -0.440 -5.864 -10.764 306 1HG MET 96 2HG MET 96 0.570 -3.995 -9.546 307 2HG MET 96 1HG MET 96 2.225 -4.590 -9.866 308 1HE MET 96 1HE MET 96 3.468 -4.620 -12.017 309 2HE MET 96 2HE MET 96 2.233 -5.553 -12.931 310 3HE MET 96 3HE MET 96 2.883 -4.028 -13.609 311 H GLU 97 H GLU 97 1.728 -8.996 -10.281 312 HA GLU 97 HA GLU 97 4.296 -8.755 -9.014 313 1HB GLU 97 1HB GLU 97 3.147 -11.005 -9.476 314 2HB GLU 97 2HB GLU 97 3.317 -10.656 -11.227 315 1HG GLU 97 2HG GLU 97 5.058 -12.246 -10.432 316 2HG GLU 97 1HG GLU 97 5.818 -10.716 -10.995 317 H GLN 98 H GLN 98 6.246 -8.335 -10.262 318 HA GLN 98 HA GLN 98 5.762 -6.244 -12.074 319 1HB GLN 98 2HB GLN 98 8.372 -7.618 -11.253 320 2HB GLN 98 1HB GLN 98 8.261 -6.128 -12.259 321 1HG GLN 98 2HG GLN 98 7.160 -4.912 -10.366 322 2HG GLN 98 1HG GLN 98 7.205 -6.409 -9.356 323 1HE2 GLN 98 2HE2 GLN 98 10.834 -4.579 -10.423 324 2HE2 GLN 98 1HE2 GLN 98 9.500 -4.575 -11.527 325 H THR 99 H THR 99 6.767 -9.672 -12.452 326 HA THR 99 HA THR 99 7.511 -9.188 -15.163 327 HB THR 99 HB THR 99 8.781 -10.876 -14.136 328 HG1 THR 99 HG1 THR 99 6.835 -12.018 -15.848 329 1HG2 THR 99 2HG2 THR 99 6.140 -12.377 -13.510 330 2HG2 THR 99 3HG2 THR 99 7.806 -12.995 -13.271 331 3HG2 THR 99 1HG2 THR 99 7.241 -11.587 -12.313 332 H TRP 100 H TRP 100 4.626 -10.523 -13.442 333 HA TRP 100 HA TRP 100 3.468 -11.151 -15.990 334 1HB TRP 100 2HB TRP 100 2.167 -11.164 -13.216 335 2HB TRP 100 1HB TRP 100 1.457 -11.833 -14.733 336 HD1 TRP 100 HD1 TRP 100 3.267 -13.028 -11.743 337 HE1 TRP 100 HE1 TRP 100 4.422 -15.272 -12.172 338 HE3 TRP 100 HE3 TRP 100 2.814 -13.157 -16.798 339 HZ2 TRP 100 HZ2 TRP 100 5.040 -16.901 -14.399 340 HZ3 TRP 100 HZ3 TRP 100 3.685 -15.094 -18.017 341 HH2 TRP 100 HH2 TRP 100 4.782 -16.935 -16.843 No H/Q in entry = 341 Start of MODEL 6 1 1H ILE 60 3H ILE 60 11.239 -4.302 -6.106 2 2H ILE 60 1H ILE 60 12.443 -4.483 -4.922 3 3H ILE 60 2H ILE 60 12.854 -4.557 -6.569 4 HA ILE 60 HA ILE 60 11.571 -6.447 -6.866 5 HB ILE 60 HB ILE 60 13.955 -6.513 -6.358 6 1HG1 ILE 60 2HG1 ILE 60 14.201 -8.918 -5.889 7 2HG1 ILE 60 1HG1 ILE 60 12.481 -9.051 -5.420 8 1HG2 ILE 60 3HG2 ILE 60 13.906 -5.750 -3.997 9 2HG2 ILE 60 1HG2 ILE 60 13.125 -7.301 -3.489 10 3HG2 ILE 60 2HG2 ILE 60 14.784 -7.307 -4.174 11 1HD1 ILE 60 2HD1 ILE 60 13.523 -8.185 -8.208 12 2HD1 ILE 60 3HD1 ILE 60 12.923 -9.829 -7.777 13 3HD1 ILE 60 1HD1 ILE 60 11.791 -8.430 -7.761 14 HA PRO 61 HA PRO 61 9.059 -7.606 -3.141 15 1HB PRO 61 2HB PRO 61 8.290 -4.850 -2.143 16 2HB PRO 61 1HB PRO 61 8.500 -6.358 -1.161 17 1HG PRO 61 2HG PRO 61 10.408 -4.391 -1.073 18 2HG PRO 61 1HG PRO 61 10.911 -6.133 -1.201 19 1HD PRO 61 2HD PRO 61 10.637 -4.085 -3.477 20 2HD PRO 61 1HD PRO 61 12.011 -5.223 -3.126 21 H LEU 62 H LEU 62 6.676 -7.632 -3.368 22 HA LEU 62 HA LEU 62 5.766 -6.275 -5.708 23 1HB LEU 62 1HB LEU 62 4.506 -8.125 -3.633 24 2HB LEU 62 2HB LEU 62 3.431 -7.111 -4.644 25 HG LEU 62 HG LEU 62 5.419 -9.183 -5.730 26 1HD1 LEU 62 1HD2 LEU 62 3.471 -10.157 -4.488 27 2HD1 LEU 62 2HD2 LEU 62 2.346 -9.148 -5.479 28 3HD1 LEU 62 3HD2 LEU 62 3.318 -10.456 -6.267 29 1HD2 LEU 62 1HD1 LEU 62 3.306 -7.417 -7.138 30 2HD2 LEU 62 2HD1 LEU 62 5.091 -7.363 -7.397 31 3HD2 LEU 62 3HD1 LEU 62 4.155 -8.812 -7.903 32 H SER 63 H SER 63 3.933 -4.900 -5.783 33 HA SER 63 HA SER 63 3.079 -3.569 -3.438 34 1HB SER 63 1HB SER 63 3.907 -1.250 -4.156 35 2HB SER 63 2HB SER 63 5.312 -2.310 -3.768 36 HG SER 63 HG SER 63 5.517 -1.210 -5.742 37 H CYS 64 H CYS 64 1.696 -1.585 -4.288 38 HA CYS 64 HA CYS 64 0.164 -2.745 -6.437 39 1HB CYS 64 1HB CYS 64 -0.256 -0.256 -4.756 40 2HB CYS 64 2HB CYS 64 -1.385 -0.721 -6.096 41 H THR 65 H THR 65 -0.678 -1.311 -8.141 42 HA THR 65 HA THR 65 1.471 -0.318 -9.634 43 HB THR 65 HB THR 65 -0.057 -1.117 -11.102 44 HG1 THR 65 HG1 THR 65 0.161 1.102 -11.523 45 1HG2 THR 65 3HG2 THR 65 -2.264 -0.191 -9.134 46 2HG2 THR 65 1HG2 THR 65 -2.566 -0.967 -10.731 47 3HG2 THR 65 2HG2 THR 65 -1.708 -1.887 -9.455 48 H ILE 66 H ILE 66 -1.127 1.244 -7.652 49 HA ILE 66 HA ILE 66 -0.210 3.807 -8.551 50 HB ILE 66 HB ILE 66 -1.750 3.919 -6.141 51 1HG1 ILE 66 2HG1 ILE 66 -3.903 3.556 -7.704 52 2HG1 ILE 66 1HG1 ILE 66 -2.898 2.295 -8.472 53 1HG2 ILE 66 3HG2 ILE 66 -1.075 5.822 -7.553 54 2HG2 ILE 66 1HG2 ILE 66 -1.963 5.125 -8.965 55 3HG2 ILE 66 2HG2 ILE 66 -2.870 5.677 -7.501 56 1HD1 ILE 66 3HD1 ILE 66 -3.425 2.592 -5.441 57 2HD1 ILE 66 1HD1 ILE 66 -4.334 1.487 -6.515 58 3HD1 ILE 66 2HD1 ILE 66 -2.570 1.203 -6.224 59 H CYS 67 H CYS 67 0.235 1.653 -5.780 60 HA CYS 67 HA CYS 67 1.385 3.554 -4.082 61 1HB CYS 67 1HB CYS 67 1.776 0.519 -4.133 62 2HB CYS 67 2HB CYS 67 2.458 1.597 -2.881 63 H ARG 68 H ARG 68 2.728 1.695 -6.789 64 HA ARG 68 HA ARG 68 5.415 2.200 -6.079 65 1HB ARG 68 1HB ARG 68 4.538 0.329 -7.641 66 2HB ARG 68 2HB ARG 68 4.268 1.613 -8.866 67 1HG ARG 68 2HG ARG 68 6.334 0.439 -9.352 68 2HG ARG 68 1HG ARG 68 6.780 2.090 -8.820 69 1HD ARG 68 2HD ARG 68 7.360 1.165 -6.524 70 2HD ARG 68 1HD ARG 68 6.880 -0.490 -7.108 71 HE ARG 68 HE ARG 68 8.812 0.722 -8.912 72 1HH1 ARG 68 1HH1 ARG 68 8.433 -0.795 -5.703 73 2HH1 ARG 68 2HH1 ARG 68 10.064 -1.370 -5.621 74 1HH2 ARG 68 1HH2 ARG 68 11.024 -0.063 -8.789 75 2HH2 ARG 68 2HH2 ARG 68 11.557 -0.948 -7.399 76 H LYS 69 H LYS 69 2.886 3.922 -7.920 77 HA LYS 69 HA LYS 69 4.690 5.635 -9.251 78 1HB LYS 69 1HB LYS 69 1.690 5.915 -8.750 79 2HB LYS 69 2HB LYS 69 2.671 7.059 -9.732 80 1HG LYS 69 2HG LYS 69 2.411 4.063 -10.368 81 2HG LYS 69 1HG LYS 69 1.364 5.346 -11.068 82 1HD LYS 69 2HD LYS 69 3.379 6.451 -12.055 83 2HD LYS 69 1HD LYS 69 4.427 5.151 -11.380 84 1HE LYS 69 2HE LYS 69 3.208 3.437 -12.746 85 2HE LYS 69 1HE LYS 69 2.156 4.743 -13.438 86 1HZ LYS 69 3HZ LYS 69 5.118 4.577 -13.656 87 2HZ LYS 69 1HZ LYS 69 3.993 4.198 -14.869 88 3HZ LYS 69 2HZ LYS 69 4.131 5.795 -14.307 89 H ARG 70 H ARG 70 2.701 6.009 -6.183 90 HA ARG 70 HA ARG 70 3.630 8.670 -5.919 91 1HB ARG 70 2HB ARG 70 2.853 6.974 -3.532 92 2HB ARG 70 1HB ARG 70 2.588 8.725 -3.794 93 1HG ARG 70 2HG ARG 70 1.069 6.364 -5.061 94 2HG ARG 70 1HG ARG 70 0.494 7.451 -3.796 95 1HD ARG 70 2HD ARG 70 0.596 9.394 -5.469 96 2HD ARG 70 1HD ARG 70 0.963 8.174 -6.763 97 HE ARG 70 HE ARG 70 -1.321 7.257 -5.313 98 1HH1 ARG 70 1HH1 ARG 70 -0.303 9.991 -7.361 99 2HH1 ARG 70 2HH1 ARG 70 -1.896 10.339 -7.947 100 1HH2 ARG 70 1HH2 ARG 70 -3.485 7.736 -6.109 101 2HH2 ARG 70 2HH2 ARG 70 -3.731 9.039 -7.225 102 H LYS 71 H LYS 71 4.595 5.417 -4.960 103 HA LYS 71 HA LYS 71 6.309 4.515 -4.150 104 1HB LYS 71 2HB LYS 71 7.763 6.079 -5.534 105 2HB LYS 71 1HB LYS 71 7.976 7.056 -4.040 106 1HG LYS 71 2HG LYS 71 8.385 4.235 -3.375 107 2HG LYS 71 1HG LYS 71 9.269 4.577 -4.882 108 1HD LYS 71 2HD LYS 71 10.446 6.496 -3.727 109 2HD LYS 71 1HD LYS 71 9.440 6.196 -2.259 110 1HE LYS 71 2HE LYS 71 11.736 5.232 -1.983 111 2HE LYS 71 1HE LYS 71 10.483 3.923 -1.997 112 1HZ LYS 71 2HZ LYS 71 10.990 3.541 -4.312 113 2HZ LYS 71 3HZ LYS 71 12.164 4.766 -4.299 114 3HZ LYS 71 1HZ LYS 71 12.376 3.377 -3.344 115 H VAL 72 H VAL 72 4.823 4.237 -2.540 116 HA VAL 72 HA VAL 72 5.583 5.381 0.005 117 HB VAL 72 HB VAL 72 3.128 4.788 0.568 118 1HG1 VAL 72 3HG1 VAL 72 4.060 7.120 0.547 119 2HG1 VAL 72 1HG1 VAL 72 3.698 7.250 -1.217 120 3HG1 VAL 72 2HG1 VAL 72 2.350 7.092 -0.030 121 1HG2 VAL 72 1HG2 VAL 72 2.803 5.083 -2.494 122 2HG2 VAL 72 2HG2 VAL 72 2.502 3.594 -1.517 123 3HG2 VAL 72 3HG2 VAL 72 1.482 5.052 -1.294 124 H LYS 73 H LYS 73 4.999 3.607 1.678 125 HA LYS 73 HA LYS 73 5.827 1.133 0.513 126 1HB LYS 73 1HB LYS 73 5.278 1.930 3.286 127 2HB LYS 73 2HB LYS 73 5.604 0.214 2.856 128 1HG LYS 73 2HG LYS 73 7.497 2.550 2.199 129 2HG LYS 73 1HG LYS 73 7.629 1.542 3.691 130 1HD LYS 73 2HD LYS 73 7.957 -0.500 2.287 131 2HD LYS 73 1HD LYS 73 7.859 0.501 0.795 132 1HE LYS 73 2HE LYS 73 9.883 1.800 1.519 133 2HE LYS 73 1HE LYS 73 10.005 0.765 3.002 134 1HZ LYS 73 2HZ LYS 73 10.115 -0.180 0.185 135 2HZ LYS 73 3HZ LYS 73 11.432 0.004 1.242 136 3HZ LYS 73 1HZ LYS 73 10.233 -1.153 1.573 137 H CYS 74 H CYS 74 4.574 -0.265 -0.361 138 HA CYS 74 HA CYS 74 1.777 -0.342 0.137 139 1HB CYS 74 1HB CYS 74 2.936 -0.862 -2.077 140 2HB CYS 74 2HB CYS 74 3.612 -2.333 -1.301 141 H ASP 75 H ASP 75 0.833 -2.676 0.716 142 HA ASP 75 HA ASP 75 2.284 -3.245 3.244 143 1HB ASP 75 1HB ASP 75 -0.750 -2.906 3.029 144 2HB ASP 75 2HB ASP 75 0.208 -3.224 4.516 145 H LYS 76 H LYS 76 -0.052 -4.218 0.754 146 HA LYS 76 HA LYS 76 -0.911 -6.010 0.111 147 1HB LYS 76 1HB LYS 76 1.469 -7.516 1.277 148 2HB LYS 76 2HB LYS 76 0.357 -8.055 -0.035 149 1HG LYS 76 2HG LYS 76 1.003 -5.974 -1.340 150 2HG LYS 76 1HG LYS 76 2.281 -5.630 -0.135 151 1HD LYS 76 2HD LYS 76 2.027 -8.199 -1.799 152 2HD LYS 76 1HD LYS 76 3.019 -6.757 -2.230 153 1HE LYS 76 2HE LYS 76 3.458 -8.462 0.321 154 2HE LYS 76 1HE LYS 76 4.429 -8.582 -1.202 155 1HZ LYS 76 2HZ LYS 76 5.045 -6.284 -0.941 156 2HZ LYS 76 3HZ LYS 76 4.133 -6.156 0.487 157 3HZ LYS 76 1HZ LYS 76 5.478 -7.192 0.428 158 H LEU 77 H LEU 77 -1.979 -5.076 2.495 159 HA LEU 77 HA LEU 77 -2.717 -7.559 3.824 160 1HB LEU 77 1HB LEU 77 -3.997 -6.144 5.421 161 2HB LEU 77 2HB LEU 77 -2.243 -5.770 5.368 162 HG LEU 77 HG LEU 77 -3.076 -3.885 3.628 163 1HD1 LEU 77 3HD1 LEU 77 -5.545 -4.417 3.928 164 2HD1 LEU 77 1HD1 LEU 77 -5.370 -4.132 5.695 165 3HD1 LEU 77 2HD1 LEU 77 -5.127 -2.775 4.535 166 1HD2 LEU 77 2HD2 LEU 77 -1.613 -3.699 5.658 167 2HD2 LEU 77 3HD2 LEU 77 -2.766 -2.330 5.489 168 3HD2 LEU 77 1HD2 LEU 77 -3.087 -3.637 6.693 169 H ARG 78 H ARG 78 -4.893 -8.300 3.709 170 HA ARG 78 HA ARG 78 -5.840 -7.782 1.084 171 1HB ARG 78 2HB ARG 78 -6.776 -9.705 3.280 172 2HB ARG 78 1HB ARG 78 -7.511 -9.646 1.642 173 1HG ARG 78 2HG ARG 78 -4.560 -10.316 2.238 174 2HG ARG 78 1HG ARG 78 -5.867 -11.500 1.886 175 1HD ARG 78 2HD ARG 78 -6.192 -10.465 -0.394 176 2HD ARG 78 1HD ARG 78 -4.798 -9.343 -0.063 177 HE ARG 78 HE ARG 78 -3.971 -12.052 0.457 178 1HH1 ARG 78 1HH1 ARG 78 -4.942 -9.868 -2.193 179 2HH1 ARG 78 2HH1 ARG 78 -4.008 -10.683 -3.403 180 1HH2 ARG 78 1HH2 ARG 78 -2.705 -13.151 -1.196 181 2HH2 ARG 78 2HH2 ARG 78 -2.719 -12.574 -2.829 182 HA PRO 79 HA PRO 79 -7.810 -8.058 -0.081 183 1HB PRO 79 2HB PRO 79 -9.914 -6.020 -0.783 184 2HB PRO 79 1HB PRO 79 -9.964 -7.807 -1.034 185 1HG PRO 79 2HG PRO 79 -11.516 -6.575 0.901 186 2HG PRO 79 1HG PRO 79 -10.762 -8.205 1.166 187 1HD PRO 79 2HD PRO 79 -9.712 -5.478 2.118 188 2HD PRO 79 1HD PRO 79 -9.837 -7.049 3.042 189 H HIS 80 H HIS 80 -8.678 -4.558 0.420 190 HA HIS 80 HA HIS 80 -6.531 -3.808 -1.372 191 1HB HIS 80 2HB HIS 80 -7.554 -1.420 -0.761 192 2HB HIS 80 1HB HIS 80 -8.410 -2.507 -1.909 193 HD1 HIS 80 HD1 HIS 80 -8.715 -1.467 1.782 194 HD2 HIS 80 HD2 HIS 80 -10.895 -3.396 -1.238 195 HE1 HIS 80 HE1 HIS 80 -11.094 -1.841 2.635 196 H CYS 81 H CYS 81 -4.818 -2.415 -0.669 197 HA CYS 81 HA CYS 81 -4.107 -3.069 2.002 198 1HB CYS 81 2HB CYS 81 -1.938 -2.180 1.581 199 2HB CYS 81 1HB CYS 81 -2.388 -3.071 0.106 200 H GLN 82 H GLN 82 -3.143 -1.342 3.460 201 HA GLN 82 HA GLN 82 -5.206 0.434 4.009 202 1HB GLN 82 2HB GLN 82 -2.523 -0.072 5.233 203 2HB GLN 82 1HB GLN 82 -3.273 1.522 5.563 204 1HG GLN 82 2HG GLN 82 -5.344 0.456 6.415 205 2HG GLN 82 1HG GLN 82 -4.654 -1.183 6.098 206 1HE2 GLN 82 2HE2 GLN 82 -3.151 -1.321 9.245 207 2HE2 GLN 82 1HE2 GLN 82 -4.018 -2.092 7.957 208 H GLN 83 H GLN 83 -2.560 1.041 1.824 209 HA GLN 83 HA GLN 83 -2.600 3.853 2.158 210 1HB GLN 83 2HB GLN 83 -0.704 2.665 1.026 211 2HB GLN 83 1HB GLN 83 -1.813 2.172 -0.287 212 1HG GLN 83 2HG GLN 83 -0.416 4.078 -0.984 213 2HG GLN 83 1HG GLN 83 -2.137 4.586 -0.948 214 1HE2 GLN 83 2HE2 GLN 83 0.502 5.889 2.056 215 2HE2 GLN 83 1HE2 GLN 83 0.758 4.368 1.268 216 H CYS 84 H CYS 84 -4.003 1.647 -0.464 217 HA CYS 84 HA CYS 84 -5.536 3.478 -1.573 218 1HB CYS 84 2HB CYS 84 -5.727 0.427 -1.359 219 2HB CYS 84 1HB CYS 84 -6.492 1.413 -2.639 220 H THR 85 H THR 85 -6.279 1.742 1.418 221 HA THR 85 HA THR 85 -9.084 1.909 1.102 222 HB THR 85 HB THR 85 -7.544 2.019 3.739 223 HG1 THR 85 HG1 THR 85 -6.947 0.308 2.291 224 1HG2 THR 85 1HG2 THR 85 -10.361 1.029 2.891 225 2HG2 THR 85 2HG2 THR 85 -9.623 0.746 4.512 226 3HG2 THR 85 3HG2 THR 85 -10.011 2.419 3.988 227 H LYS 86 H LYS 86 -6.508 4.055 2.413 228 HA LYS 86 HA LYS 86 -8.337 5.960 3.401 229 1HB LYS 86 1HB LYS 86 -5.407 5.910 3.090 230 2HB LYS 86 2HB LYS 86 -6.281 7.262 3.878 231 1HG LYS 86 2HG LYS 86 -7.178 5.669 5.595 232 2HG LYS 86 1HG LYS 86 -6.304 4.313 4.802 233 1HD LYS 86 2HD LYS 86 -4.118 5.432 5.272 234 2HD LYS 86 1HD LYS 86 -4.988 6.812 6.036 235 1HE LYS 86 2HE LYS 86 -4.099 5.258 7.775 236 2HE LYS 86 1HE LYS 86 -5.912 5.247 7.794 237 1HZ LYS 86 2HZ LYS 86 -5.850 3.238 6.475 238 2HZ LYS 86 3HZ LYS 86 -4.153 3.247 6.468 239 3HZ LYS 86 1HZ LYS 86 -4.994 3.049 7.929 240 H THR 87 H THR 87 -6.565 5.391 0.394 241 HA THR 87 HA THR 87 -6.648 8.087 -0.477 242 HB THR 87 HB THR 87 -6.215 5.467 -1.993 243 HG1 THR 87 HG1 THR 87 -4.665 5.938 -0.475 244 1HG2 THR 87 1HG2 THR 87 -5.833 8.416 -2.861 245 2HG2 THR 87 2HG2 THR 87 -5.129 6.996 -3.715 246 3HG2 THR 87 3HG2 THR 87 -6.905 7.180 -3.648 247 H GLY 88 H GLY 88 -8.448 5.060 -1.350 248 1HA GLY 88 1HA GLY 88 -10.713 5.036 -1.808 249 2HA GLY 88 2HA GLY 88 -10.611 6.763 -2.355 250 H VAL 89 H VAL 89 -8.096 4.434 -2.997 251 HA VAL 89 HA VAL 89 -8.979 4.065 -5.742 252 HB VAL 89 HB VAL 89 -7.044 5.470 -5.020 253 1HG1 VAL 89 2HG1 VAL 89 -5.936 3.551 -3.556 254 2HG1 VAL 89 3HG1 VAL 89 -5.625 2.787 -5.173 255 3HG1 VAL 89 1HG1 VAL 89 -4.760 4.314 -4.693 256 1HG2 VAL 89 1HG2 VAL 89 -7.207 5.491 -7.252 257 2HG2 VAL 89 2HG2 VAL 89 -5.609 5.803 -6.520 258 3HG2 VAL 89 3HG2 VAL 89 -5.872 4.229 -7.282 259 H ALA 90 H ALA 90 -9.987 2.710 -3.446 260 HA ALA 90 HA ALA 90 -8.302 0.468 -2.844 261 1HB ALA 90 1HB ALA 90 -11.320 0.762 -2.433 262 2HB ALA 90 2HB ALA 90 -10.289 -0.602 -1.855 263 3HB ALA 90 3HB ALA 90 -10.039 1.063 -1.177 264 H HIS 91 H HIS 91 -10.858 1.286 -5.078 265 HA HIS 91 HA HIS 91 -11.277 -1.233 -6.227 266 1HB HIS 91 2HB HIS 91 -11.827 0.174 -8.257 267 2HB HIS 91 1HB HIS 91 -12.861 0.396 -6.767 268 HD1 HIS 91 HD1 HIS 91 -10.807 2.795 -5.666 269 HD2 HIS 91 HD2 HIS 91 -12.739 2.434 -9.366 270 HE1 HIS 91 HE1 HIS 91 -10.997 5.129 -6.720 271 H LEU 92 H LEU 92 -8.811 1.285 -6.541 272 HA LEU 92 HA LEU 92 -7.852 0.120 -8.947 273 1HB LEU 92 1HB LEU 92 -6.719 2.292 -7.103 274 2HB LEU 92 2HB LEU 92 -6.088 2.053 -8.691 275 HG LEU 92 HG LEU 92 -8.197 3.785 -7.725 276 1HD1 LEU 92 2HD1 LEU 92 -6.200 4.362 -9.293 277 2HD1 LEU 92 3HD1 LEU 92 -7.056 3.506 -10.615 278 3HD1 LEU 92 1HD1 LEU 92 -7.804 4.964 -9.858 279 1HD2 LEU 92 3HD2 LEU 92 -8.887 2.059 -10.273 280 2HD2 LEU 92 1HD2 LEU 92 -9.840 2.085 -8.760 281 3HD2 LEU 92 2HD2 LEU 92 -9.758 3.560 -9.781 282 H CYS 93 H CYS 93 -7.740 -0.725 -5.903 283 HA CYS 93 HA CYS 93 -4.885 -1.031 -5.597 284 1HB CYS 93 1HB CYS 93 -6.366 -0.785 -3.583 285 2HB CYS 93 2HB CYS 93 -7.088 -2.381 -3.953 286 H HIS 94 H HIS 94 -3.834 -2.395 -6.938 287 HA HIS 94 HA HIS 94 -4.551 -5.186 -6.602 288 1HB HIS 94 2HB HIS 94 -3.825 -3.981 -9.348 289 2HB HIS 94 1HB HIS 94 -4.040 -5.725 -8.964 290 HD1 HIS 94 HD1 HIS 94 -5.931 -2.560 -9.774 291 HD2 HIS 94 HD2 HIS 94 -6.863 -6.477 -8.590 292 HE1 HIS 94 HE1 HIS 94 -8.442 -2.911 -10.093 293 H TYR 95 H TYR 95 -2.649 -6.385 -6.356 294 HA TYR 95 HA TYR 95 -0.271 -4.729 -6.340 295 1HB TYR 95 1HB TYR 95 -0.272 -7.679 -5.572 296 2HB TYR 95 2HB TYR 95 0.970 -6.375 -5.252 297 HD1 TYR 95 HD1 TYR 95 0.344 -4.536 -3.472 298 HD2 TYR 95 HD2 TYR 95 -2.206 -7.893 -4.336 299 HE1 TYR 95 HE1 TYR 95 -1.177 -3.757 -1.905 300 HE2 TYR 95 HE2 TYR 95 -3.647 -7.225 -2.468 301 HH TYR 95 HH TYR 95 -4.125 -5.690 -0.981 302 H MET 96 H MET 96 1.184 -4.759 -7.854 303 HA MET 96 HA MET 96 0.835 -6.660 -10.068 304 1HB MET 96 1HB MET 96 1.220 -3.742 -10.301 305 2HB MET 96 2HB MET 96 1.395 -4.887 -11.671 306 1HG MET 96 2HG MET 96 -1.016 -5.640 -11.185 307 2HG MET 96 1HG MET 96 -1.166 -4.217 -10.106 308 1HE MET 96 3HE MET 96 -3.100 -4.876 -12.363 309 2HE MET 96 1HE MET 96 -3.223 -3.363 -11.400 310 3HE MET 96 2HE MET 96 -3.345 -3.297 -13.190 311 H GLU 97 H GLU 97 2.706 -7.244 -11.163 312 HA GLU 97 HA GLU 97 5.123 -6.787 -9.711 313 1HB GLU 97 1HB GLU 97 4.496 -9.019 -10.800 314 2HB GLU 97 2HB GLU 97 4.680 -8.223 -12.394 315 1HG GLU 97 2HG GLU 97 6.676 -9.580 -11.828 316 2HG GLU 97 1HG GLU 97 7.132 -7.841 -11.901 317 H GLN 98 H GLN 98 6.965 -5.699 -10.556 318 HA GLN 98 HA GLN 98 6.161 -3.362 -11.940 319 1HB GLN 98 1HB GLN 98 8.483 -2.562 -11.455 320 2HB GLN 98 2HB GLN 98 7.601 -3.134 -9.998 321 1HG GLN 98 2HG GLN 98 8.822 -5.366 -10.174 322 2HG GLN 98 1HG GLN 98 9.816 -4.670 -11.512 323 1HE2 GLN 98 2HE2 GLN 98 11.859 -2.658 -9.471 324 2HE2 GLN 98 1HE2 GLN 98 11.397 -3.138 -11.071 325 H THR 99 H THR 99 7.634 -6.382 -12.906 326 HA THR 99 HA THR 99 9.091 -5.157 -15.047 327 HB THR 99 HB THR 99 9.578 -7.521 -15.747 328 HG1 THR 99 HG1 THR 99 8.224 -7.997 -13.297 329 1HG2 THR 99 2HG2 THR 99 11.091 -6.131 -14.266 330 2HG2 THR 99 3HG2 THR 99 10.206 -6.731 -12.812 331 3HG2 THR 99 1HG2 THR 99 11.145 -7.882 -13.833 332 H TRP 100 H TRP 100 6.045 -7.097 -14.647 333 HA TRP 100 HA TRP 100 5.207 -5.927 -17.136 334 1HB TRP 100 2HB TRP 100 4.453 -8.036 -18.169 335 2HB TRP 100 1HB TRP 100 6.238 -8.075 -17.953 336 HD1 TRP 100 HD1 TRP 100 7.162 -9.780 -15.936 337 HE1 TRP 100 HE1 TRP 100 6.094 -11.878 -14.925 338 HE3 TRP 100 HE3 TRP 100 2.425 -9.093 -17.608 339 HZ2 TRP 100 HZ2 TRP 100 3.545 -13.103 -14.891 340 HZ3 TRP 100 HZ3 TRP 100 0.721 -10.774 -17.081 341 HH2 TRP 100 HH2 TRP 100 1.268 -12.746 -15.743 No H/Q in entry = 341 Start of MODEL 7 1 1H ILE 60 3H ILE 60 9.802 -5.696 -4.664 2 2H ILE 60 1H ILE 60 10.723 -5.518 -3.247 3 3H ILE 60 2H ILE 60 11.494 -5.832 -4.728 4 HA ILE 60 HA ILE 60 10.499 -7.937 -4.863 5 HB ILE 60 HB ILE 60 12.146 -7.361 -2.527 6 1HG1 ILE 60 2HG1 ILE 60 13.730 -8.858 -3.896 7 2HG1 ILE 60 1HG1 ILE 60 12.554 -8.738 -5.242 8 1HG2 ILE 60 1HG2 ILE 60 11.070 -10.134 -3.365 9 2HG2 ILE 60 2HG2 ILE 60 12.511 -9.883 -2.324 10 3HG2 ILE 60 3HG2 ILE 60 10.914 -9.355 -1.732 11 1HD1 ILE 60 3HD1 ILE 60 13.955 -6.329 -3.883 12 2HD1 ILE 60 1HD1 ILE 60 14.524 -7.134 -5.392 13 3HD1 ILE 60 2HD1 ILE 60 12.946 -6.276 -5.382 14 HA PRO 61 HA PRO 61 7.183 -8.247 -1.558 15 1HB PRO 61 2HB PRO 61 7.139 -5.370 -0.553 16 2HB PRO 61 1HB PRO 61 6.731 -6.868 0.383 17 1HG PRO 61 2HG PRO 61 9.130 -5.609 0.798 18 2HG PRO 61 1HG PRO 61 9.075 -7.419 0.656 19 1HD PRO 61 2HD PRO 61 9.817 -5.382 -1.519 20 2HD PRO 61 1HD PRO 61 10.640 -6.946 -1.068 21 H LEU 62 H LEU 62 5.164 -8.051 -2.642 22 HA LEU 62 HA LEU 62 5.099 -6.527 -4.921 23 1HB LEU 62 2HB LEU 62 3.132 -8.151 -3.265 24 2HB LEU 62 1HB LEU 62 2.525 -7.185 -4.651 25 HG LEU 62 HG LEU 62 3.001 -9.606 -5.044 26 1HD1 LEU 62 2HD1 LEU 62 2.712 -7.872 -6.855 27 2HD1 LEU 62 3HD1 LEU 62 4.498 -7.649 -6.910 28 3HD1 LEU 62 1HD1 LEU 62 3.777 -9.238 -7.371 29 1HD2 LEU 62 3HD2 LEU 62 5.192 -9.890 -3.909 30 2HD2 LEU 62 1HD2 LEU 62 5.236 -10.428 -5.632 31 3HD2 LEU 62 2HD2 LEU 62 5.971 -8.851 -5.169 32 H SER 63 H SER 63 4.201 -4.750 -5.510 33 HA SER 63 HA SER 63 2.962 -3.134 -3.405 34 1HB SER 63 1HB SER 63 4.608 -2.193 -5.842 35 2HB SER 63 2HB SER 63 3.833 -1.103 -4.625 36 HG SER 63 HG SER 63 6.024 -1.464 -4.221 37 H CYS 64 H CYS 64 1.495 -1.428 -4.248 38 HA CYS 64 HA CYS 64 -0.214 -2.645 -6.228 39 1HB CYS 64 1HB CYS 64 -0.465 -0.037 -4.710 40 2HB CYS 64 2HB CYS 64 -1.677 -0.572 -5.951 41 H THR 65 H THR 65 -1.160 -1.063 -7.898 42 HA THR 65 HA THR 65 0.973 -0.462 -9.589 43 HB THR 65 HB THR 65 -0.813 0.339 -11.151 44 HG1 THR 65 HG1 THR 65 -2.178 1.044 -9.423 45 1HG2 THR 65 2HG2 THR 65 -0.091 -2.103 -10.975 46 2HG2 THR 65 3HG2 THR 65 -1.397 -2.385 -9.769 47 3HG2 THR 65 1HG2 THR 65 -1.821 -1.910 -11.446 48 H ILE 66 H ILE 66 -1.105 1.599 -7.463 49 HA ILE 66 HA ILE 66 0.072 3.943 -8.673 50 HB ILE 66 HB ILE 66 -1.206 4.216 -6.088 51 1HG1 ILE 66 2HG1 ILE 66 -2.830 3.799 -8.676 52 2HG1 ILE 66 1HG1 ILE 66 -2.809 2.692 -7.260 53 1HG2 ILE 66 3HG2 ILE 66 -0.091 6.107 -7.361 54 2HG2 ILE 66 1HG2 ILE 66 -1.226 5.824 -8.728 55 3HG2 ILE 66 2HG2 ILE 66 -1.836 6.409 -7.135 56 1HD1 ILE 66 1HD1 ILE 66 -3.676 4.590 -5.805 57 2HD1 ILE 66 2HD1 ILE 66 -3.876 5.589 -7.297 58 3HD1 ILE 66 3HD1 ILE 66 -4.812 4.068 -7.095 59 H CYS 67 H CYS 67 0.460 1.813 -5.785 60 HA CYS 67 HA CYS 67 1.877 3.625 -4.295 61 1HB CYS 67 2HB CYS 67 1.794 0.690 -4.199 62 2HB CYS 67 1HB CYS 67 2.616 1.684 -2.974 63 H ARG 68 H ARG 68 2.975 1.445 -6.874 64 HA ARG 68 HA ARG 68 5.686 1.579 -6.045 65 1HB ARG 68 2HB ARG 68 4.597 -0.267 -7.456 66 2HB ARG 68 1HB ARG 68 4.640 0.883 -8.834 67 1HG ARG 68 2HG ARG 68 7.140 0.962 -8.684 68 2HG ARG 68 1HG ARG 68 7.087 -0.035 -7.185 69 1HD ARG 68 2HD ARG 68 6.122 -1.953 -8.491 70 2HD ARG 68 1HD ARG 68 6.209 -0.948 -10.008 71 HE ARG 68 HE ARG 68 8.791 -0.910 -8.770 72 1HH1 ARG 68 1HH1 ARG 68 6.498 -3.177 -10.292 73 2HH1 ARG 68 2HH1 ARG 68 7.723 -4.238 -10.906 74 1HH2 ARG 68 1HH2 ARG 68 10.451 -2.358 -9.607 75 2HH2 ARG 68 2HH2 ARG 68 10.001 -3.765 -10.510 76 H LYS 69 H LYS 69 3.509 3.553 -8.043 77 HA LYS 69 HA LYS 69 5.576 4.877 -9.453 78 1HB LYS 69 1HB LYS 69 2.649 5.666 -9.007 79 2HB LYS 69 2HB LYS 69 3.793 6.507 -10.110 80 1HG LYS 69 2HG LYS 69 4.050 4.456 -11.468 81 2HG LYS 69 1HG LYS 69 2.965 3.549 -10.360 82 1HD LYS 69 2HD LYS 69 1.087 5.108 -10.889 83 2HD LYS 69 1HD LYS 69 2.153 6.022 -12.014 84 1HE LYS 69 2HE LYS 69 1.376 3.041 -12.327 85 2HE LYS 69 1HE LYS 69 0.650 4.427 -13.241 86 1HZ LYS 69 3HZ LYS 69 3.515 3.634 -13.264 87 2HZ LYS 69 1HZ LYS 69 2.370 3.313 -14.478 88 3HZ LYS 69 2HZ LYS 69 2.817 4.915 -14.133 89 H ARG 70 H ARG 70 3.548 5.652 -6.532 90 HA ARG 70 HA ARG 70 4.691 8.219 -6.255 91 1HB ARG 70 2HB ARG 70 3.399 6.444 -4.106 92 2HB ARG 70 1HB ARG 70 3.596 8.228 -4.032 93 1HG ARG 70 2HG ARG 70 1.822 6.658 -6.005 94 2HG ARG 70 1HG ARG 70 1.259 7.462 -4.526 95 1HD ARG 70 2HD ARG 70 1.888 9.704 -5.494 96 2HD ARG 70 1HD ARG 70 2.502 8.867 -6.993 97 HE ARG 70 HE ARG 70 -0.215 8.040 -6.367 98 1HH1 ARG 70 1HH1 ARG 70 1.745 10.704 -7.703 99 2HH1 ARG 70 2HH1 ARG 70 0.502 11.279 -8.763 100 1HH2 ARG 70 1HH2 ARG 70 -1.892 8.826 -7.805 101 2HH2 ARG 70 2HH2 ARG 70 -1.597 10.195 -8.822 102 H LYS 71 H LYS 71 5.315 4.929 -5.132 103 HA LYS 71 HA LYS 71 6.837 3.940 -4.158 104 1HB LYS 71 2HB LYS 71 8.463 5.295 -5.557 105 2HB LYS 71 1HB LYS 71 8.670 6.393 -4.150 106 1HG LYS 71 2HG LYS 71 10.476 4.735 -4.357 107 2HG LYS 71 1HG LYS 71 9.596 4.526 -2.804 108 1HD LYS 71 2HD LYS 71 8.457 2.546 -3.575 109 2HD LYS 71 1HD LYS 71 8.932 2.835 -5.279 110 1HE LYS 71 2HE LYS 71 10.892 2.153 -2.971 111 2HE LYS 71 1HE LYS 71 10.259 0.975 -4.194 112 1HZ LYS 71 3HZ LYS 71 11.268 2.300 -5.918 113 2HZ LYS 71 1HZ LYS 71 11.863 3.407 -4.776 114 3HZ LYS 71 2HZ LYS 71 12.422 1.803 -4.774 115 H VAL 72 H VAL 72 4.872 4.375 -2.745 116 HA VAL 72 HA VAL 72 5.845 5.302 -0.167 117 HB VAL 72 HB VAL 72 3.447 4.825 0.495 118 1HG1 VAL 72 2HG1 VAL 72 4.361 7.131 0.138 119 2HG1 VAL 72 3HG1 VAL 72 3.945 7.031 -1.615 120 3HG1 VAL 72 1HG1 VAL 72 2.634 7.027 -0.378 121 1HG2 VAL 72 1HG2 VAL 72 2.988 4.757 -2.563 122 2HG2 VAL 72 2HG2 VAL 72 2.764 3.372 -1.424 123 3HG2 VAL 72 3HG2 VAL 72 1.721 4.818 -1.295 124 H LYS 73 H LYS 73 5.308 3.601 1.581 125 HA LYS 73 HA LYS 73 6.176 1.085 0.533 126 1HB LYS 73 1HB LYS 73 7.061 1.930 2.719 127 2HB LYS 73 2HB LYS 73 5.398 1.905 3.391 128 1HG LYS 73 2HG LYS 73 6.743 -0.009 4.170 129 2HG LYS 73 1HG LYS 73 5.336 -0.580 3.225 130 1HD LYS 73 2HD LYS 73 6.827 -0.940 1.232 131 2HD LYS 73 1HD LYS 73 8.235 -0.349 2.186 132 1HE LYS 73 2HE LYS 73 7.990 -2.278 3.760 133 2HE LYS 73 1HE LYS 73 6.503 -2.823 2.876 134 1HZ LYS 73 2HZ LYS 73 7.845 -3.082 0.900 135 2HZ LYS 73 3HZ LYS 73 9.241 -2.597 1.738 136 3HZ LYS 73 1HZ LYS 73 8.437 -4.026 2.180 137 H CYS 74 H CYS 74 4.684 -0.119 -0.556 138 HA CYS 74 HA CYS 74 1.974 -0.185 0.296 139 1HB CYS 74 1HB CYS 74 2.850 -0.411 -2.117 140 2HB CYS 74 2HB CYS 74 3.507 -2.001 -1.626 141 H ASP 75 H ASP 75 1.070 -2.632 0.572 142 HA ASP 75 HA ASP 75 2.716 -3.469 2.880 143 1HB ASP 75 2HB ASP 75 -0.342 -3.169 2.697 144 2HB ASP 75 1HB ASP 75 0.562 -3.855 4.106 145 H LYS 76 H LYS 76 -0.062 -4.274 0.804 146 HA LYS 76 HA LYS 76 -0.715 -6.106 -0.175 147 1HB LYS 76 1HB LYS 76 1.905 -6.701 -0.423 148 2HB LYS 76 2HB LYS 76 1.442 -8.011 0.708 149 1HG LYS 76 2HG LYS 76 0.203 -7.342 -2.047 150 2HG LYS 76 1HG LYS 76 1.393 -8.642 -1.709 151 1HD LYS 76 2HD LYS 76 -0.291 -9.813 -0.270 152 2HD LYS 76 1HD LYS 76 -1.483 -8.503 -0.600 153 1HE LYS 76 2HE LYS 76 -1.934 -10.466 -2.049 154 2HE LYS 76 1HE LYS 76 -1.416 -9.059 -3.058 155 1HZ LYS 76 1HZ LYS 76 0.303 -11.313 -2.175 156 2HZ LYS 76 2HZ LYS 76 -0.357 -11.085 -3.723 157 3HZ LYS 76 3HZ LYS 76 0.793 -9.991 -3.121 158 H LEU 77 H LEU 77 -1.768 -5.102 1.889 159 HA LEU 77 HA LEU 77 -1.545 -6.223 4.273 160 1HB LEU 77 2HB LEU 77 -2.476 -4.079 2.909 161 2HB LEU 77 1HB LEU 77 -4.063 -4.853 3.043 162 HG LEU 77 HG LEU 77 -3.010 -2.986 4.559 163 1HD1 LEU 77 2HD2 LEU 77 -5.394 -3.730 4.684 164 2HD1 LEU 77 3HD2 LEU 77 -4.923 -5.140 5.706 165 3HD1 LEU 77 1HD2 LEU 77 -4.743 -3.461 6.342 166 1HD2 LEU 77 2HD1 LEU 77 -1.182 -4.360 5.461 167 2HD2 LEU 77 3HD1 LEU 77 -2.257 -3.795 6.807 168 3HD2 LEU 77 1HD1 LEU 77 -2.377 -5.502 6.192 169 H ARG 78 H ARG 78 -3.889 -6.580 1.809 170 HA ARG 78 HA ARG 78 -5.382 -7.995 1.153 171 1HB ARG 78 2HB ARG 78 -4.505 -9.710 3.445 172 2HB ARG 78 1HB ARG 78 -6.032 -10.084 2.570 173 1HG ARG 78 2HG ARG 78 -3.289 -9.805 1.189 174 2HG ARG 78 1HG ARG 78 -3.988 -11.356 1.775 175 1HD ARG 78 2HD ARG 78 -5.997 -11.024 0.291 176 2HD ARG 78 1HD ARG 78 -5.213 -9.537 -0.407 177 HE ARG 78 HE ARG 78 -3.300 -11.631 -0.577 178 1HH1 ARG 78 1HH1 ARG 78 -6.572 -10.852 -1.763 179 2HH1 ARG 78 2HH1 ARG 78 -6.392 -11.701 -3.262 180 1HH2 ARG 78 1HH2 ARG 78 -3.063 -12.784 -2.619 181 2HH2 ARG 78 2HH2 ARG 78 -4.371 -12.814 -3.756 182 HA PRO 79 HA PRO 79 -7.498 -8.113 0.573 183 1HB PRO 79 2HB PRO 79 -9.642 -6.383 0.043 184 2HB PRO 79 1HB PRO 79 -9.811 -7.992 0.859 185 1HG PRO 79 2HG PRO 79 -9.671 -5.228 2.150 186 2HG PRO 79 1HG PRO 79 -10.754 -6.620 2.568 187 1HD PRO 79 2HD PRO 79 -8.407 -6.050 3.973 188 2HD PRO 79 1HD PRO 79 -8.972 -7.765 3.708 189 H HIS 80 H HIS 80 -7.862 -4.602 1.543 190 HA HIS 80 HA HIS 80 -6.221 -3.939 -0.799 191 1HB HIS 80 1HB HIS 80 -8.304 -2.191 0.622 192 2HB HIS 80 2HB HIS 80 -7.497 -1.849 -0.951 193 HD1 HIS 80 HD1 HIS 80 -8.036 -4.309 -2.614 194 HD2 HIS 80 HD2 HIS 80 -10.867 -2.932 0.161 195 HE1 HIS 80 HE1 HIS 80 -10.317 -5.261 -3.266 196 H CYS 81 H CYS 81 -4.824 -1.912 -0.397 197 HA CYS 81 HA CYS 81 -3.651 -2.483 2.153 198 1HB CYS 81 2HB CYS 81 -1.644 -1.533 1.467 199 2HB CYS 81 1HB CYS 81 -2.258 -2.329 -0.001 200 H GLN 82 H GLN 82 -2.425 -0.477 3.169 201 HA GLN 82 HA GLN 82 -4.437 0.902 4.404 202 1HB GLN 82 1HB GLN 82 -1.528 1.307 4.438 203 2HB GLN 82 2HB GLN 82 -2.657 2.129 5.558 204 1HG GLN 82 2HG GLN 82 -3.428 -0.078 6.446 205 2HG GLN 82 1HG GLN 82 -2.329 -0.941 5.300 206 1HE2 GLN 82 2HE2 GLN 82 0.294 -0.940 7.577 207 2HE2 GLN 82 1HE2 GLN 82 -0.695 -1.776 6.423 208 H GLN 83 H GLN 83 -2.779 1.880 1.454 209 HA GLN 83 HA GLN 83 -3.362 4.662 1.837 210 1HB GLN 83 2HB GLN 83 -1.466 3.922 0.369 211 2HB GLN 83 1HB GLN 83 -2.644 3.123 -0.723 212 1HG GLN 83 2HG GLN 83 -3.689 5.425 -1.189 213 2HG GLN 83 1HG GLN 83 -2.423 6.150 -0.126 214 1HE2 GLN 83 2HE2 GLN 83 0.033 6.193 -2.624 215 2HE2 GLN 83 1HE2 GLN 83 -0.532 6.719 -1.073 216 H CYS 84 H CYS 84 -4.587 1.985 -0.410 217 HA CYS 84 HA CYS 84 -6.563 3.726 -1.212 218 1HB CYS 84 2HB CYS 84 -7.367 1.761 -2.459 219 2HB CYS 84 1HB CYS 84 -5.809 2.312 -2.924 220 H THR 85 H THR 85 -6.665 1.626 1.543 221 HA THR 85 HA THR 85 -9.398 1.073 0.998 222 HB THR 85 HB THR 85 -8.014 1.092 3.757 223 HG1 THR 85 HG1 THR 85 -7.014 -0.300 2.337 224 1HG2 THR 85 3HG2 THR 85 -10.573 -0.309 2.699 225 2HG2 THR 85 1HG2 THR 85 -9.831 -0.591 4.316 226 3HG2 THR 85 2HG2 THR 85 -10.536 1.013 3.928 227 H LYS 86 H LYS 86 -7.281 3.503 2.528 228 HA LYS 86 HA LYS 86 -9.216 4.914 3.910 229 1HB LYS 86 1HB LYS 86 -6.459 5.558 3.119 230 2HB LYS 86 2HB LYS 86 -7.462 6.675 4.086 231 1HG LYS 86 2HG LYS 86 -6.729 3.789 4.913 232 2HG LYS 86 1HG LYS 86 -5.862 5.269 5.448 233 1HD LYS 86 2HD LYS 86 -7.966 6.133 6.496 234 2HD LYS 86 1HD LYS 86 -8.816 4.616 6.032 235 1HE LYS 86 2HE LYS 86 -7.234 3.281 7.444 236 2HE LYS 86 1HE LYS 86 -6.364 4.804 7.907 237 1HZ LYS 86 2HZ LYS 86 -8.421 5.623 8.842 238 2HZ LYS 86 3HZ LYS 86 -9.229 4.191 8.418 239 3HZ LYS 86 1HZ LYS 86 -7.965 4.148 9.552 240 H THR 87 H THR 87 -7.748 5.560 0.473 241 HA THR 87 HA THR 87 -9.450 7.912 0.634 242 HB THR 87 HB THR 87 -7.248 8.479 0.020 243 HG1 THR 87 HG1 THR 87 -9.027 8.390 -2.181 244 1HG2 THR 87 2HG2 THR 87 -7.552 6.414 -2.245 245 2HG2 THR 87 3HG2 THR 87 -6.194 7.572 -2.059 246 3HG2 THR 87 1HG2 THR 87 -6.437 6.273 -0.842 247 H GLY 88 H GLY 88 -9.305 4.599 -0.434 248 1HA GLY 88 1HA GLY 88 -11.153 3.495 -0.961 249 2HA GLY 88 2HA GLY 88 -11.972 5.042 -1.434 250 H VAL 89 H VAL 89 -8.712 3.912 -2.374 251 HA VAL 89 HA VAL 89 -9.676 3.907 -5.090 252 HB VAL 89 HB VAL 89 -7.393 4.262 -5.956 253 1HG1 VAL 89 1HG1 VAL 89 -9.171 5.679 -5.709 254 2HG1 VAL 89 2HG1 VAL 89 -8.618 6.077 -3.918 255 3HG1 VAL 89 3HG1 VAL 89 -7.609 6.611 -5.362 256 1HG2 VAL 89 3HG2 VAL 89 -6.855 4.604 -2.965 257 2HG2 VAL 89 1HG2 VAL 89 -5.798 3.785 -4.194 258 3HG2 VAL 89 2HG2 VAL 89 -5.978 5.575 -4.205 259 H ALA 90 H ALA 90 -10.169 1.605 -3.626 260 HA ALA 90 HA ALA 90 -7.839 0.092 -3.809 261 1HB ALA 90 2HB ALA 90 -10.658 -0.865 -3.421 262 2HB ALA 90 1HB ALA 90 -9.149 -1.882 -3.434 263 3HB ALA 90 3HB ALA 90 -9.324 -0.553 -2.203 264 H HIS 91 H HIS 91 -10.469 1.054 -5.880 265 HA HIS 91 HA HIS 91 -10.502 -0.899 -7.883 266 1HB HIS 91 2HB HIS 91 -11.500 0.931 -9.289 267 2HB HIS 91 1HB HIS 91 -12.437 0.564 -7.778 268 HD1 HIS 91 HD1 HIS 91 -10.888 2.477 -5.868 269 HD2 HIS 91 HD2 HIS 91 -12.143 3.573 -9.704 270 HE1 HIS 91 HE1 HIS 91 -10.784 4.981 -5.998 271 H LEU 92 H LEU 92 -8.817 2.348 -7.382 272 HA LEU 92 HA LEU 92 -7.469 1.744 -9.830 273 1HB LEU 92 1HB LEU 92 -6.822 3.973 -7.837 274 2HB LEU 92 2HB LEU 92 -6.362 3.874 -9.552 275 HG LEU 92 HG LEU 92 -9.137 4.325 -8.388 276 1HD1 LEU 92 1HD1 LEU 92 -7.690 6.334 -8.470 277 2HD1 LEU 92 2HD1 LEU 92 -7.400 6.075 -10.233 278 3HD1 LEU 92 3HD1 LEU 92 -9.058 6.471 -9.640 279 1HD2 LEU 92 3HD2 LEU 92 -8.347 3.771 -11.312 280 2HD2 LEU 92 1HD2 LEU 92 -9.396 2.766 -10.247 281 3HD2 LEU 92 2HD2 LEU 92 -9.967 4.395 -10.781 282 H CYS 93 H CYS 93 -7.083 0.481 -7.027 283 HA CYS 93 HA CYS 93 -4.084 0.491 -7.274 284 1HB CYS 93 1HB CYS 93 -4.983 2.279 -5.650 285 2HB CYS 93 2HB CYS 93 -5.458 0.919 -4.603 286 H HIS 94 H HIS 94 -3.957 -1.575 -7.961 287 HA HIS 94 HA HIS 94 -4.885 -3.665 -6.104 288 1HB HIS 94 2HB HIS 94 -4.611 -3.544 -9.171 289 2HB HIS 94 1HB HIS 94 -4.663 -5.097 -8.283 290 HD1 HIS 94 HD1 HIS 94 -6.872 -2.015 -8.958 291 HD2 HIS 94 HD2 HIS 94 -7.240 -5.949 -7.543 292 HE1 HIS 94 HE1 HIS 94 -9.360 -2.544 -8.714 293 H TYR 95 H TYR 95 -3.326 -5.422 -5.787 294 HA TYR 95 HA TYR 95 -0.636 -4.586 -6.265 295 1HB TYR 95 1HB TYR 95 -1.411 -7.405 -5.409 296 2HB TYR 95 2HB TYR 95 0.149 -6.531 -5.116 297 HD1 TYR 95 HD1 TYR 95 -0.067 -4.311 -3.537 298 HD2 TYR 95 HD2 TYR 95 -3.003 -7.431 -3.883 299 HE1 TYR 95 HE1 TYR 95 -1.193 -3.437 -1.687 300 HE2 TYR 95 HE2 TYR 95 -3.980 -6.701 -1.766 301 HH TYR 95 HH TYR 95 -2.768 -3.882 -0.018 302 H MET 96 H MET 96 0.896 -5.692 -7.571 303 HA MET 96 HA MET 96 -0.131 -6.401 -10.075 304 1HB MET 96 1HB MET 96 2.621 -6.671 -9.052 305 2HB MET 96 2HB MET 96 2.153 -6.710 -10.782 306 1HG MET 96 2HG MET 96 1.283 -4.362 -10.578 307 2HG MET 96 1HG MET 96 1.796 -4.310 -8.866 308 1HE MET 96 2HE MET 96 2.368 -2.143 -10.762 309 2HE MET 96 3HE MET 96 3.021 -2.171 -9.089 310 3HE MET 96 1HE MET 96 4.093 -1.747 -10.467 311 H GLU 97 H GLU 97 0.070 -8.359 -11.214 312 HA GLU 97 HA GLU 97 -0.154 -10.454 -11.576 313 1HB GLU 97 1HB GLU 97 1.622 -11.003 -9.143 314 2HB GLU 97 2HB GLU 97 0.887 -12.271 -10.176 315 1HG GLU 97 2HG GLU 97 3.117 -12.005 -10.951 316 2HG GLU 97 1HG GLU 97 2.022 -11.304 -12.202 317 H GLN 98 H GLN 98 -0.085 -11.603 -8.310 318 HA GLN 98 HA GLN 98 -1.532 -12.480 -6.995 319 1HB GLN 98 1HB GLN 98 -3.724 -10.671 -8.144 320 2HB GLN 98 2HB GLN 98 -3.841 -11.693 -6.673 321 1HG GLN 98 2HG GLN 98 -2.080 -10.337 -5.548 322 2HG GLN 98 1HG GLN 98 -1.915 -9.305 -7.025 323 1HE2 GLN 98 2HE2 GLN 98 -5.292 -9.097 -4.571 324 2HE2 GLN 98 1HE2 GLN 98 -4.188 -10.428 -4.463 325 H THR 99 H THR 99 -0.874 -13.928 -9.150 326 HA THR 99 HA THR 99 -3.410 -15.219 -9.851 327 HB THR 99 HB THR 99 -2.365 -14.486 -11.903 328 HG1 THR 99 HG1 THR 99 -1.874 -17.222 -11.358 329 1HG2 THR 99 2HG2 THR 99 0.001 -14.186 -11.046 330 2HG2 THR 99 3HG2 THR 99 0.199 -15.980 -10.993 331 3HG2 THR 99 1HG2 THR 99 -0.085 -15.153 -12.559 332 H TRP 100 H TRP 100 -0.248 -15.208 -8.422 333 HA TRP 100 HA TRP 100 -0.211 -18.012 -7.865 334 1HB TRP 100 2HB TRP 100 1.733 -17.370 -6.361 335 2HB TRP 100 1HB TRP 100 1.942 -16.902 -8.088 336 HD1 TRP 100 HD1 TRP 100 1.627 -14.166 -8.663 337 HE1 TRP 100 HE1 TRP 100 2.045 -12.126 -7.168 338 HE3 TRP 100 HE3 TRP 100 1.640 -16.517 -4.167 339 HZ2 TRP 100 HZ2 TRP 100 2.363 -11.606 -4.405 340 HZ3 TRP 100 HZ3 TRP 100 2.001 -15.195 -2.133 341 HH2 TRP 100 HH2 TRP 100 2.358 -12.778 -2.250 No H/Q in entry = 341 Start of MODEL 8 1 1H ILE 60 2H ILE 60 4.360 -8.061 -0.485 2 2H ILE 60 3H ILE 60 5.142 -9.545 -0.215 3 3H ILE 60 1H ILE 60 4.205 -8.843 1.014 4 HA ILE 60 HA ILE 60 5.675 -7.038 1.172 5 HB ILE 60 HB ILE 60 6.953 -9.647 1.575 6 1HG1 ILE 60 2HG1 ILE 60 6.439 -8.811 4.030 7 2HG1 ILE 60 1HG1 ILE 60 5.202 -7.786 3.235 8 1HG2 ILE 60 2HG2 ILE 60 7.846 -6.831 2.462 9 2HG2 ILE 60 3HG2 ILE 60 8.446 -8.357 3.199 10 3HG2 ILE 60 1HG2 ILE 60 8.806 -8.014 1.486 11 1HD1 ILE 60 2HD1 ILE 60 5.416 -10.872 2.984 12 2HD1 ILE 60 3HD1 ILE 60 4.334 -10.004 4.134 13 3HD1 ILE 60 1HD1 ILE 60 4.063 -9.852 2.366 14 HA PRO 61 HA PRO 61 8.838 -7.298 -2.262 15 1HB PRO 61 2HB PRO 61 7.579 -9.395 -4.079 16 2HB PRO 61 1HB PRO 61 9.338 -9.022 -3.879 17 1HG PRO 61 2HG PRO 61 8.251 -11.243 -2.692 18 2HG PRO 61 1HG PRO 61 9.419 -10.203 -1.769 19 1HD PRO 61 2HD PRO 61 6.357 -10.216 -1.593 20 2HD PRO 61 1HD PRO 61 7.606 -10.107 -0.270 21 H LEU 62 H LEU 62 5.396 -8.216 -3.064 22 HA LEU 62 HA LEU 62 5.452 -6.444 -5.300 23 1HB LEU 62 2HB LEU 62 3.033 -7.772 -3.966 24 2HB LEU 62 1HB LEU 62 3.023 -6.885 -5.522 25 HG LEU 62 HG LEU 62 4.343 -9.584 -4.925 26 1HD1 LEU 62 2HD1 LEU 62 2.125 -8.612 -6.833 27 2HD1 LEU 62 3HD1 LEU 62 2.766 -10.296 -6.787 28 3HD1 LEU 62 1HD1 LEU 62 1.903 -9.615 -5.355 29 1HD2 LEU 62 2HD2 LEU 62 4.622 -7.855 -7.465 30 2HD2 LEU 62 3HD2 LEU 62 5.950 -8.384 -6.363 31 3HD2 LEU 62 1HD2 LEU 62 5.061 -9.598 -7.337 32 H SER 63 H SER 63 4.051 -4.713 -5.667 33 HA SER 63 HA SER 63 2.973 -3.398 -3.319 34 1HB SER 63 2HB SER 63 3.963 -1.175 -4.138 35 2HB SER 63 1HB SER 63 5.268 -2.313 -3.618 36 HG SER 63 HG SER 63 5.653 -1.340 -5.630 37 H CYS 64 H CYS 64 1.452 -1.667 -4.008 38 HA CYS 64 HA CYS 64 0.089 -2.735 -6.281 39 1HB CYS 64 2HB CYS 64 -1.847 -1.489 -5.705 40 2HB CYS 64 1HB CYS 64 -1.225 -2.249 -4.218 41 H THR 65 H THR 65 -1.038 -0.973 -7.770 42 HA THR 65 HA THR 65 1.306 -0.147 -9.070 43 HB THR 65 HB THR 65 -0.115 0.407 -10.976 44 HG1 THR 65 HG1 THR 65 -2.215 -0.225 -9.170 45 1HG2 THR 65 3HG2 THR 65 0.505 -2.061 -10.294 46 2HG2 THR 65 1HG2 THR 65 -1.175 -2.183 -9.660 47 3HG2 THR 65 2HG2 THR 65 -0.910 -1.851 -11.395 48 H ILE 66 H ILE 66 -0.874 1.575 -6.985 49 HA ILE 66 HA ILE 66 -0.142 4.110 -8.185 50 HB ILE 66 HB ILE 66 -1.488 4.230 -5.641 51 1HG1 ILE 66 2HG1 ILE 66 -3.753 4.013 -6.931 52 2HG1 ILE 66 1HG1 ILE 66 -2.882 2.924 -8.066 53 1HG2 ILE 66 2HG2 ILE 66 -0.819 6.174 -7.038 54 2HG2 ILE 66 3HG2 ILE 66 -1.815 5.553 -8.406 55 3HG2 ILE 66 1HG2 ILE 66 -2.609 6.093 -6.879 56 1HD1 ILE 66 1HD1 ILE 66 -2.818 2.480 -5.022 57 2HD1 ILE 66 2HD1 ILE 66 -4.175 1.879 -6.037 58 3HD1 ILE 66 3HD1 ILE 66 -2.509 1.286 -6.341 59 H CYS 67 H CYS 67 0.523 1.993 -5.411 60 HA CYS 67 HA CYS 67 1.981 3.935 -3.965 61 1HB CYS 67 1HB CYS 67 1.951 0.877 -3.861 62 2HB CYS 67 2HB CYS 67 3.124 1.837 -2.913 63 H ARG 68 H ARG 68 2.742 1.781 -6.653 64 HA ARG 68 HA ARG 68 5.560 2.009 -6.289 65 1HB ARG 68 2HB ARG 68 4.390 0.027 -7.354 66 2HB ARG 68 1HB ARG 68 3.938 1.086 -8.733 67 1HG ARG 68 2HG ARG 68 6.332 1.357 -9.338 68 2HG ARG 68 1HG ARG 68 6.832 0.517 -7.826 69 1HD ARG 68 2HD ARG 68 5.751 -1.610 -8.665 70 2HD ARG 68 1HD ARG 68 5.229 -0.736 -10.160 71 HE ARG 68 HE ARG 68 7.474 -0.672 -10.923 72 1HH1 ARG 68 1HH1 ARG 68 7.314 -1.987 -7.598 73 2HH1 ARG 68 2HH1 ARG 68 8.936 -2.596 -7.621 74 1HH2 ARG 68 1HH2 ARG 68 9.652 -1.501 -10.925 75 2HH2 ARG 68 2HH2 ARG 68 10.280 -2.317 -9.532 76 H LYS 69 H LYS 69 2.939 3.774 -7.834 77 HA LYS 69 HA LYS 69 4.511 5.108 -9.731 78 1HB LYS 69 2HB LYS 69 2.023 4.762 -9.864 79 2HB LYS 69 1HB LYS 69 1.832 6.010 -8.584 80 1HG LYS 69 2HG LYS 69 2.935 7.697 -10.137 81 2HG LYS 69 1HG LYS 69 3.151 6.387 -11.345 82 1HD LYS 69 2HD LYS 69 1.234 7.673 -12.019 83 2HD LYS 69 1HD LYS 69 0.642 6.083 -11.423 84 1HE LYS 69 2HE LYS 69 -0.824 7.941 -10.637 85 2HE LYS 69 1HE LYS 69 0.012 7.202 -9.213 86 1HZ LYS 69 2HZ LYS 69 0.876 9.652 -10.659 87 2HZ LYS 69 3HZ LYS 69 0.038 9.603 -9.181 88 3HZ LYS 69 1HZ LYS 69 1.613 8.973 -9.288 89 H ARG 70 H ARG 70 3.212 6.077 -6.407 90 HA ARG 70 HA ARG 70 4.541 8.569 -6.631 91 1HB ARG 70 2HB ARG 70 3.952 7.411 -3.917 92 2HB ARG 70 1HB ARG 70 3.784 9.100 -4.481 93 1HG ARG 70 2HG ARG 70 1.906 6.727 -5.059 94 2HG ARG 70 1HG ARG 70 1.633 8.033 -3.902 95 1HD ARG 70 2HD ARG 70 1.556 9.714 -5.795 96 2HD ARG 70 1HD ARG 70 1.663 8.339 -6.978 97 HE ARG 70 HE ARG 70 -0.400 7.579 -5.289 98 1HH1 ARG 70 1HH1 ARG 70 0.332 10.551 -7.131 99 2HH1 ARG 70 2HH1 ARG 70 -1.330 10.966 -7.388 100 1HH2 ARG 70 1HH2 ARG 70 -2.637 8.153 -5.646 101 2HH2 ARG 70 2HH2 ARG 70 -3.041 9.586 -6.533 102 H LYS 71 H LYS 71 5.228 5.350 -5.387 103 HA LYS 71 HA LYS 71 6.939 4.343 -4.625 104 1HB LYS 71 2HB LYS 71 8.481 5.700 -6.111 105 2HB LYS 71 1HB LYS 71 8.752 6.791 -4.710 106 1HG LYS 71 2HG LYS 71 9.078 4.031 -3.800 107 2HG LYS 71 1HG LYS 71 9.959 4.217 -5.340 108 1HD LYS 71 2HD LYS 71 11.162 6.226 -4.388 109 2HD LYS 71 1HD LYS 71 10.234 6.022 -2.854 110 1HE LYS 71 2HE LYS 71 11.285 3.766 -2.509 111 2HE LYS 71 1HE LYS 71 12.225 3.971 -4.044 112 1HZ LYS 71 3HZ LYS 71 12.360 5.736 -1.655 113 2HZ LYS 71 1HZ LYS 71 13.499 4.562 -2.111 114 3HZ LYS 71 2HZ LYS 71 13.245 5.923 -3.092 115 H VAL 72 H VAL 72 5.585 4.138 -2.865 116 HA VAL 72 HA VAL 72 6.585 5.316 -0.455 117 HB VAL 72 HB VAL 72 4.059 5.024 0.246 118 1HG1 VAL 72 1HG1 VAL 72 5.366 7.175 0.366 119 2HG1 VAL 72 2HG1 VAL 72 4.961 7.511 -1.360 120 3HG1 VAL 72 3HG1 VAL 72 3.654 7.469 -0.121 121 1HG2 VAL 72 1HG2 VAL 72 3.673 5.645 -2.754 122 2HG2 VAL 72 2HG2 VAL 72 3.193 4.137 -1.887 123 3HG2 VAL 72 3HG2 VAL 72 2.411 5.701 -1.491 124 H LYS 73 H LYS 73 6.022 3.581 1.261 125 HA LYS 73 HA LYS 73 6.345 1.081 -0.098 126 1HB LYS 73 2HB LYS 73 7.423 1.786 2.220 127 2HB LYS 73 1HB LYS 73 5.881 1.025 2.767 128 1HG LYS 73 2HG LYS 73 6.476 -0.974 1.221 129 2HG LYS 73 1HG LYS 73 8.094 -0.219 1.026 130 1HD LYS 73 2HD LYS 73 8.429 -0.390 3.517 131 2HD LYS 73 1HD LYS 73 6.783 -1.116 3.667 132 1HE LYS 73 2HE LYS 73 7.497 -3.062 2.250 133 2HE LYS 73 1HE LYS 73 9.155 -2.345 2.101 134 1HZ LYS 73 2HZ LYS 73 7.810 -3.124 4.636 135 2HZ LYS 73 3HZ LYS 73 9.014 -4.006 3.823 136 3HZ LYS 73 1HZ LYS 73 9.375 -2.481 4.481 137 H CYS 74 H CYS 74 4.869 -0.315 -0.608 138 HA CYS 74 HA CYS 74 2.139 0.057 0.107 139 1HB CYS 74 1HB CYS 74 3.087 -0.824 -2.114 140 2HB CYS 74 2HB CYS 74 3.433 -2.358 -1.253 141 H ASP 75 H ASP 75 0.969 -2.216 0.737 142 HA ASP 75 HA ASP 75 2.259 -2.785 3.338 143 1HB ASP 75 2HB ASP 75 -0.730 -2.357 2.785 144 2HB ASP 75 1HB ASP 75 -0.003 -2.715 4.387 145 H LYS 76 H LYS 76 0.271 -3.845 0.598 146 HA LYS 76 HA LYS 76 -0.778 -5.552 0.055 147 1HB LYS 76 2HB LYS 76 1.708 -6.170 -0.008 148 2HB LYS 76 1HB LYS 76 1.357 -7.276 1.358 149 1HG LYS 76 2HG LYS 76 -0.239 -8.534 -0.076 150 2HG LYS 76 1HG LYS 76 -0.162 -7.256 -1.345 151 1HD LYS 76 2HD LYS 76 2.224 -7.629 -1.670 152 2HD LYS 76 1HD LYS 76 2.242 -8.871 -0.363 153 1HE LYS 76 2HE LYS 76 0.624 -10.297 -1.712 154 2HE LYS 76 1HE LYS 76 0.791 -9.125 -3.086 155 1HZ LYS 76 3HZ LYS 76 2.992 -10.655 -1.787 156 2HZ LYS 76 1HZ LYS 76 2.269 -11.001 -3.285 157 3HZ LYS 76 2HZ LYS 76 3.157 -9.566 -3.080 158 H LEU 77 H LEU 77 -2.217 -4.614 2.035 159 HA LEU 77 HA LEU 77 -2.753 -6.861 3.826 160 1HB LEU 77 2HB LEU 77 -4.412 -4.295 3.470 161 2HB LEU 77 1HB LEU 77 -4.581 -5.537 4.751 162 HG LEU 77 HG LEU 77 -2.625 -3.256 4.459 163 1HD1 LEU 77 3HD2 LEU 77 -4.679 -3.009 5.824 164 2HD1 LEU 77 1HD2 LEU 77 -4.251 -4.472 6.790 165 3HD1 LEU 77 2HD2 LEU 77 -3.229 -2.996 6.901 166 1HD2 LEU 77 3HD1 LEU 77 -1.971 -5.792 6.072 167 2HD2 LEU 77 1HD1 LEU 77 -1.022 -5.032 4.726 168 3HD2 LEU 77 2HD1 LEU 77 -1.190 -4.174 6.291 169 H ARG 78 H ARG 78 -4.603 -8.200 3.432 170 HA ARG 78 HA ARG 78 -5.712 -7.846 0.777 171 1HB ARG 78 2HB ARG 78 -5.883 -10.025 2.892 172 2HB ARG 78 1HB ARG 78 -7.145 -9.904 1.618 173 1HG ARG 78 2HG ARG 78 -5.428 -11.541 0.990 174 2HG ARG 78 1HG ARG 78 -5.509 -10.175 -0.176 175 1HD ARG 78 2HD ARG 78 -3.409 -9.211 0.718 176 2HD ARG 78 1HD ARG 78 -3.378 -10.468 2.042 177 HE ARG 78 HE ARG 78 -3.533 -11.620 -0.662 178 1HH1 ARG 78 1HH1 ARG 78 -1.390 -10.227 1.831 179 2HH1 ARG 78 2HH1 ARG 78 0.032 -11.038 1.266 180 1HH2 ARG 78 1HH2 ARG 78 -1.593 -12.715 -1.419 181 2HH2 ARG 78 2HH2 ARG 78 -0.085 -12.468 -0.603 182 HA PRO 79 HA PRO 79 -7.704 -7.865 -0.272 183 1HB PRO 79 2HB PRO 79 -9.808 -6.216 -1.078 184 2HB PRO 79 1HB PRO 79 -10.030 -7.881 -0.406 185 1HG PRO 79 2HG PRO 79 -10.306 -5.214 1.052 186 2HG PRO 79 1HG PRO 79 -11.356 -6.684 1.174 187 1HD PRO 79 2HD PRO 79 -9.324 -6.046 3.003 188 2HD PRO 79 1HD PRO 79 -9.769 -7.772 2.611 189 H HIS 80 H HIS 80 -8.502 -4.412 0.767 190 HA HIS 80 HA HIS 80 -6.649 -3.481 -1.244 191 1HB HIS 80 2HB HIS 80 -7.909 -1.497 0.567 192 2HB HIS 80 1HB HIS 80 -7.923 -1.556 -1.228 193 HD1 HIS 80 HD1 HIS 80 -10.208 -1.476 1.436 194 HD2 HIS 80 HD2 HIS 80 -9.945 -3.933 -1.956 195 HE1 HIS 80 HE1 HIS 80 -12.527 -2.443 0.969 196 H CYS 81 H CYS 81 -5.125 -1.622 -0.529 197 HA CYS 81 HA CYS 81 -3.833 -2.688 1.894 198 1HB CYS 81 2HB CYS 81 -1.799 -1.962 1.129 199 2HB CYS 81 1HB CYS 81 -2.597 -2.375 -0.409 200 H GLN 82 H GLN 82 -2.695 -0.806 3.213 201 HA GLN 82 HA GLN 82 -4.775 0.548 4.369 202 1HB GLN 82 2HB GLN 82 -1.789 1.173 4.608 203 2HB GLN 82 1HB GLN 82 -3.064 1.733 5.746 204 1HG GLN 82 2HG GLN 82 -3.550 -0.589 6.435 205 2HG GLN 82 1HG GLN 82 -2.424 -1.232 5.176 206 1HE2 GLN 82 2HE2 GLN 82 -0.075 -1.493 7.762 207 2HE2 GLN 82 1HE2 GLN 82 -1.240 -2.314 6.769 208 H GLN 83 H GLN 83 -2.640 1.680 1.783 209 HA GLN 83 HA GLN 83 -3.168 4.411 2.223 210 1HB GLN 83 2HB GLN 83 -1.203 3.617 0.929 211 2HB GLN 83 1HB GLN 83 -2.290 2.993 -0.353 212 1HG GLN 83 2HG GLN 83 -2.964 5.261 -0.996 213 2HG GLN 83 1HG GLN 83 -2.262 5.954 0.525 214 1HE2 GLN 83 2HE2 GLN 83 0.074 5.383 -2.778 215 2HE2 GLN 83 1HE2 GLN 83 -1.652 5.197 -2.787 216 H CYS 84 H CYS 84 -4.553 2.068 -0.443 217 HA CYS 84 HA CYS 84 -6.388 3.952 -1.003 218 1HB CYS 84 1HB CYS 84 -6.491 1.265 -2.105 219 2HB CYS 84 2HB CYS 84 -6.667 2.679 -2.754 220 H THR 85 H THR 85 -6.546 1.854 1.682 221 HA THR 85 HA THR 85 -9.366 1.413 1.361 222 HB THR 85 HB THR 85 -7.729 1.494 3.951 223 HG1 THR 85 HG1 THR 85 -8.534 -0.687 2.332 224 1HG2 THR 85 3HG2 THR 85 -10.490 0.271 3.224 225 2HG2 THR 85 1HG2 THR 85 -9.638 0.053 4.795 226 3HG2 THR 85 2HG2 THR 85 -10.237 1.676 4.329 227 H LYS 86 H LYS 86 -7.021 3.764 2.735 228 HA LYS 86 HA LYS 86 -8.911 5.363 3.976 229 1HB LYS 86 2HB LYS 86 -6.079 5.749 3.316 230 2HB LYS 86 1HB LYS 86 -7.050 7.019 4.118 231 1HG LYS 86 2HG LYS 86 -7.545 5.447 6.008 232 2HG LYS 86 1HG LYS 86 -6.639 4.149 5.168 233 1HD LYS 86 2HD LYS 86 -5.209 5.034 6.899 234 2HD LYS 86 1HD LYS 86 -4.534 5.503 5.301 235 1HE LYS 86 2HE LYS 86 -4.363 7.372 6.941 236 2HE LYS 86 1HE LYS 86 -5.502 7.836 5.615 237 1HZ LYS 86 3HZ LYS 86 -6.267 6.754 8.280 238 2HZ LYS 86 1HZ LYS 86 -6.333 8.383 7.801 239 3HZ LYS 86 2HZ LYS 86 -7.327 7.233 7.042 240 H THR 87 H THR 87 -7.305 5.659 0.606 241 HA THR 87 HA THR 87 -8.739 8.173 0.472 242 HB THR 87 HB THR 87 -6.585 8.571 -0.220 243 HG1 THR 87 HG1 THR 87 -8.184 9.358 -1.575 244 1HG2 THR 87 1HG2 THR 87 -6.784 5.933 -1.814 245 2HG2 THR 87 2HG2 THR 87 -5.562 7.215 -2.161 246 3HG2 THR 87 3HG2 THR 87 -5.588 6.430 -0.546 247 H GLY 88 H GLY 88 -8.911 4.753 -0.459 248 1HA GLY 88 1HA GLY 88 -10.891 3.850 -0.905 249 2HA GLY 88 2HA GLY 88 -11.546 5.466 -1.399 250 H VAL 89 H VAL 89 -8.517 3.784 -2.351 251 HA VAL 89 HA VAL 89 -9.632 3.569 -5.009 252 HB VAL 89 HB VAL 89 -7.705 3.698 -6.206 253 1HG1 VAL 89 1HG1 VAL 89 -8.974 5.546 -5.186 254 2HG1 VAL 89 2HG1 VAL 89 -7.646 5.579 -3.819 255 3HG1 VAL 89 3HG1 VAL 89 -7.263 6.089 -5.576 256 1HG2 VAL 89 1HG2 VAL 89 -5.933 4.366 -3.738 257 2HG2 VAL 89 2HG2 VAL 89 -5.662 3.024 -4.915 258 3HG2 VAL 89 3HG2 VAL 89 -5.633 4.721 -5.500 259 H ALA 90 H ALA 90 -10.405 1.707 -3.467 260 HA ALA 90 HA ALA 90 -8.263 -0.022 -3.331 261 1HB ALA 90 2HB ALA 90 -11.313 -0.673 -3.439 262 2HB ALA 90 3HB ALA 90 -10.046 -1.909 -3.090 263 3HB ALA 90 1HB ALA 90 -10.307 -0.525 -1.941 264 H HIS 91 H HIS 91 -10.482 1.228 -5.711 265 HA HIS 91 HA HIS 91 -10.776 -0.721 -7.677 266 1HB HIS 91 2HB HIS 91 -11.275 1.266 -9.152 267 2HB HIS 91 1HB HIS 91 -12.313 1.203 -7.699 268 HD1 HIS 91 HD1 HIS 91 -9.739 3.312 -9.617 269 HD2 HIS 91 HD2 HIS 91 -11.612 3.116 -5.985 270 HE1 HIS 91 HE1 HIS 91 -9.255 5.496 -8.335 271 H LEU 92 H LEU 92 -8.458 2.093 -7.102 272 HA LEU 92 HA LEU 92 -7.023 0.963 -9.360 273 1HB LEU 92 2HB LEU 92 -5.942 2.918 -7.309 274 2HB LEU 92 1HB LEU 92 -5.077 2.445 -8.805 275 HG LEU 92 HG LEU 92 -7.831 3.352 -9.291 276 1HD1 LEU 92 3HD2 LEU 92 -6.028 5.027 -7.625 277 2HD1 LEU 92 1HD2 LEU 92 -7.078 5.851 -8.886 278 3HD1 LEU 92 2HD2 LEU 92 -7.811 4.748 -7.659 279 1HD2 LEU 92 1HD1 LEU 92 -6.067 3.027 -11.088 280 2HD2 LEU 92 2HD1 LEU 92 -6.699 4.726 -11.058 281 3HD2 LEU 92 3HD1 LEU 92 -5.089 4.344 -10.323 282 H CYS 93 H CYS 93 -7.185 0.182 -6.293 283 HA CYS 93 HA CYS 93 -4.371 -0.435 -5.916 284 1HB CYS 93 2HB CYS 93 -5.604 0.291 -3.963 285 2HB CYS 93 1HB CYS 93 -6.636 -1.151 -3.975 286 H HIS 94 H HIS 94 -3.523 -1.988 -7.147 287 HA HIS 94 HA HIS 94 -4.314 -4.638 -6.282 288 1HB HIS 94 2HB HIS 94 -3.995 -3.863 -9.252 289 2HB HIS 94 1HB HIS 94 -3.921 -5.540 -8.594 290 HD1 HIS 94 HD1 HIS 94 -6.320 -6.291 -7.352 291 HD2 HIS 94 HD2 HIS 94 -6.536 -2.884 -9.788 292 HE1 HIS 94 HE1 HIS 94 -8.786 -5.808 -7.825 293 H TYR 95 H TYR 95 -2.496 -5.814 -5.896 294 HA TYR 95 HA TYR 95 0.005 -4.794 -6.951 295 1HB TYR 95 2HB TYR 95 0.270 -7.250 -5.430 296 2HB TYR 95 1HB TYR 95 0.994 -5.633 -5.101 297 HD1 TYR 95 HD2 TYR 95 -2.162 -7.545 -4.483 298 HD2 TYR 95 HD1 TYR 95 0.369 -4.279 -3.289 299 HE1 TYR 95 HE2 TYR 95 -3.731 -6.933 -2.679 300 HE2 TYR 95 HE1 TYR 95 -1.214 -3.664 -1.630 301 HH TYR 95 HH TYR 95 -4.272 -5.405 -1.141 302 H MET 96 H MET 96 1.255 -6.220 -8.169 303 HA MET 96 HA MET 96 0.018 -8.614 -9.193 304 1HB MET 96 2HB MET 96 -0.137 -7.775 -11.563 305 2HB MET 96 1HB MET 96 -1.292 -6.956 -10.469 306 1HG MET 96 2HG MET 96 0.238 -5.000 -10.265 307 2HG MET 96 1HG MET 96 1.394 -5.755 -11.401 308 1HE MET 96 2HE MET 96 1.232 -6.000 -13.811 309 2HE MET 96 3HE MET 96 -0.191 -7.092 -13.689 310 3HE MET 96 1HE MET 96 -0.217 -5.712 -14.833 311 H GLU 97 H GLU 97 1.283 -9.503 -11.047 312 HA GLU 97 HA GLU 97 3.011 -10.088 -12.139 313 1HB GLU 97 2HB GLU 97 3.099 -7.584 -12.736 314 2HB GLU 97 1HB GLU 97 4.393 -7.430 -11.509 315 1HG GLU 97 2HG GLU 97 5.417 -7.618 -13.708 316 2HG GLU 97 1HG GLU 97 5.759 -9.156 -12.838 317 H GLN 98 H GLN 98 3.497 -11.790 -10.739 318 HA GLN 98 HA GLN 98 5.969 -11.344 -9.236 319 1HB GLN 98 2HB GLN 98 5.205 -13.151 -7.630 320 2HB GLN 98 1HB GLN 98 4.292 -11.622 -7.489 321 1HG GLN 98 2HG GLN 98 2.396 -12.582 -8.812 322 2HG GLN 98 1HG GLN 98 3.285 -14.148 -8.968 323 1HE2 GLN 98 2HE2 GLN 98 2.352 -15.362 -5.841 324 2HE2 GLN 98 1HE2 GLN 98 2.973 -15.639 -7.434 325 H THR 99 H THR 99 4.562 -12.496 -11.909 326 HA THR 99 HA THR 99 5.611 -15.183 -11.739 327 HB THR 99 HB THR 99 3.329 -14.959 -12.480 328 HG1 THR 99 HG1 THR 99 4.634 -16.540 -13.397 329 1HG2 THR 99 1HG2 THR 99 3.496 -12.608 -13.432 330 2HG2 THR 99 2HG2 THR 99 4.407 -13.262 -14.845 331 3HG2 THR 99 3HG2 THR 99 2.715 -13.777 -14.547 332 H TRP 100 H TRP 100 6.561 -12.059 -12.795 333 HA TRP 100 HA TRP 100 8.045 -12.835 -15.048 334 1HB TRP 100 2HB TRP 100 9.177 -10.699 -14.916 335 2HB TRP 100 1HB TRP 100 7.433 -10.445 -14.568 336 HD1 TRP 100 HD1 TRP 100 7.016 -10.548 -11.583 337 HE1 TRP 100 HE1 TRP 100 8.331 -9.129 -9.913 338 HE3 TRP 100 HE3 TRP 100 11.127 -9.672 -14.424 339 HZ2 TRP 100 HZ2 TRP 100 10.862 -7.863 -9.798 340 HZ3 TRP 100 HZ3 TRP 100 12.975 -8.377 -13.469 341 HH2 TRP 100 HH2 TRP 100 12.847 -7.485 -11.197 No H/Q in entry = 341 Start of MODEL 9 1 1H ILE 60 3H ILE 60 13.003 -6.930 -3.715 2 2H ILE 60 1H ILE 60 12.237 -6.440 -5.157 3 3H ILE 60 2H ILE 60 13.677 -5.685 -4.663 4 HA ILE 60 HA ILE 60 12.643 -4.713 -2.855 5 HB ILE 60 HB ILE 60 10.789 -3.422 -3.955 6 1HG1 ILE 60 2HG1 ILE 60 9.916 -5.255 -5.507 7 2HG1 ILE 60 1HG1 ILE 60 10.105 -3.605 -6.147 8 1HG2 ILE 60 3HG2 ILE 60 13.152 -2.730 -3.982 9 2HG2 ILE 60 1HG2 ILE 60 13.463 -3.692 -5.471 10 3HG2 ILE 60 2HG2 ILE 60 12.349 -2.275 -5.528 11 1HD1 ILE 60 1HD1 ILE 60 12.183 -4.250 -7.369 12 2HD1 ILE 60 2HD1 ILE 60 12.019 -5.943 -6.768 13 3HD1 ILE 60 3HD1 ILE 60 10.764 -5.242 -7.840 14 HA PRO 61 HA PRO 61 8.858 -6.780 -1.428 15 1HB PRO 61 2HB PRO 61 7.667 -4.722 0.048 16 2HB PRO 61 1HB PRO 61 9.036 -5.723 0.694 17 1HG PRO 61 2HG PRO 61 9.156 -2.944 -0.572 18 2HG PRO 61 1HG PRO 61 10.031 -3.558 0.892 19 1HD PRO 61 2HD PRO 61 11.189 -3.412 -1.645 20 2HD PRO 61 1HD PRO 61 11.627 -4.736 -0.468 21 H LEU 62 H LEU 62 6.985 -6.998 -2.677 22 HA LEU 62 HA LEU 62 6.617 -5.316 -4.823 23 1HB LEU 62 1HB LEU 62 5.076 -7.527 -3.429 24 2HB LEU 62 2HB LEU 62 4.272 -6.608 -4.745 25 HG LEU 62 HG LEU 62 5.353 -8.808 -5.298 26 1HD1 LEU 62 2HD1 LEU 62 4.588 -7.131 -6.999 27 2HD1 LEU 62 3HD1 LEU 62 6.229 -6.379 -6.993 28 3HD1 LEU 62 1HD1 LEU 62 6.018 -8.073 -7.576 29 1HD2 LEU 62 1HD2 LEU 62 7.545 -8.600 -4.155 30 2HD2 LEU 62 2HD2 LEU 62 7.714 -8.979 -5.909 31 3HD2 LEU 62 3HD2 LEU 62 8.032 -7.309 -5.323 32 H SER 63 H SER 63 5.295 -3.778 -5.293 33 HA SER 63 HA SER 63 3.593 -2.710 -3.148 34 1HB SER 63 2HB SER 63 4.009 -0.441 -4.269 35 2HB SER 63 1HB SER 63 5.500 -1.157 -3.543 36 HG SER 63 HG SER 63 5.800 -0.403 -5.658 37 H CYS 64 H CYS 64 1.699 -1.409 -4.100 38 HA CYS 64 HA CYS 64 0.652 -2.974 -6.218 39 1HB CYS 64 1HB CYS 64 -1.449 -2.227 -5.539 40 2HB CYS 64 2HB CYS 64 -0.551 -2.337 -4.027 41 H THR 65 H THR 65 -0.935 -1.404 -7.687 42 HA THR 65 HA THR 65 0.986 -0.491 -9.456 43 HB THR 65 HB THR 65 -1.009 0.256 -10.847 44 HG1 THR 65 HG1 THR 65 -2.308 0.619 -8.979 45 1HG2 THR 65 3HG2 THR 65 -1.008 -2.613 -9.661 46 2HG2 THR 65 1HG2 THR 65 -1.784 -2.111 -11.201 47 3HG2 THR 65 2HG2 THR 65 0.013 -2.037 -11.027 48 H ILE 66 H ILE 66 -1.088 1.376 -7.195 49 HA ILE 66 HA ILE 66 -0.288 3.788 -8.551 50 HB ILE 66 HB ILE 66 -1.405 3.989 -5.882 51 1HG1 ILE 66 2HG1 ILE 66 -3.733 4.087 -7.226 52 2HG1 ILE 66 1HG1 ILE 66 -2.975 2.789 -8.217 53 1HG2 ILE 66 3HG2 ILE 66 -1.608 5.524 -8.539 54 2HG2 ILE 66 1HG2 ILE 66 -2.459 6.002 -7.021 55 3HG2 ILE 66 2HG2 ILE 66 -0.660 5.983 -7.077 56 1HD1 ILE 66 1HD1 ILE 66 -3.012 2.693 -5.142 57 2HD1 ILE 66 2HD1 ILE 66 -4.395 2.090 -6.121 58 3HD1 ILE 66 3HD1 ILE 66 -2.775 1.332 -6.307 59 H CYS 67 H CYS 67 0.582 1.805 -5.725 60 HA CYS 67 HA CYS 67 2.057 3.888 -4.518 61 1HB CYS 67 1HB CYS 67 1.866 0.914 -3.966 62 2HB CYS 67 2HB CYS 67 2.931 1.984 -3.016 63 H ARG 68 H ARG 68 2.896 1.690 -7.094 64 HA ARG 68 HA ARG 68 5.678 1.905 -6.442 65 1HB ARG 68 2HB ARG 68 4.552 0.007 -7.812 66 2HB ARG 68 1HB ARG 68 4.600 1.152 -9.194 67 1HG ARG 68 2HG ARG 68 7.078 1.243 -9.057 68 2HG ARG 68 1HG ARG 68 7.043 0.423 -7.457 69 1HD ARG 68 2HD ARG 68 6.143 -1.662 -8.541 70 2HD ARG 68 1HD ARG 68 6.384 -0.884 -10.171 71 HE ARG 68 HE ARG 68 8.822 -0.542 -8.806 72 1HH1 ARG 68 1HH1 ARG 68 6.730 -3.289 -9.727 73 2HH1 ARG 68 2HH1 ARG 68 8.033 -4.428 -9.820 74 1HH2 ARG 68 1HH2 ARG 68 10.568 -2.096 -8.935 75 2HH2 ARG 68 2HH2 ARG 68 10.240 -3.742 -9.362 76 H LYS 69 H LYS 69 3.206 3.806 -8.114 77 HA LYS 69 HA LYS 69 5.097 5.295 -9.627 78 1HB LYS 69 1HB LYS 69 2.185 5.947 -8.939 79 2HB LYS 69 2HB LYS 69 3.215 6.857 -10.093 80 1HG LYS 69 2HG LYS 69 3.442 4.824 -11.518 81 2HG LYS 69 1HG LYS 69 2.431 3.886 -10.364 82 1HD LYS 69 2HD LYS 69 0.514 5.446 -10.761 83 2HD LYS 69 1HD LYS 69 1.505 6.357 -11.956 84 1HE LYS 69 2HE LYS 69 0.728 3.369 -12.208 85 2HE LYS 69 1HE LYS 69 -0.080 4.743 -13.062 86 1HZ LYS 69 2HZ LYS 69 2.784 3.992 -13.312 87 2HZ LYS 69 3HZ LYS 69 1.550 3.641 -14.425 88 3HZ LYS 69 1HZ LYS 69 1.994 5.252 -14.131 89 H ARG 70 H ARG 70 3.241 5.839 -6.536 90 HA ARG 70 HA ARG 70 4.479 8.415 -6.281 91 1HB ARG 70 1HB ARG 70 3.410 7.637 -3.741 92 2HB ARG 70 2HB ARG 70 2.817 8.891 -4.868 93 1HG ARG 70 2HG ARG 70 1.513 7.062 -6.097 94 2HG ARG 70 1HG ARG 70 2.073 5.916 -4.832 95 1HD ARG 70 2HD ARG 70 -0.233 6.612 -4.366 96 2HD ARG 70 1HD ARG 70 0.849 7.315 -3.090 97 HE ARG 70 HE ARG 70 0.589 9.214 -5.240 98 1HH1 ARG 70 1HH1 ARG 70 -1.299 7.618 -2.667 99 2HH1 ARG 70 2HH1 ARG 70 -2.452 8.901 -2.512 100 1HH2 ARG 70 1HH2 ARG 70 -0.991 10.958 -5.020 101 2HH2 ARG 70 2HH2 ARG 70 -2.274 10.823 -3.865 102 H LYS 71 H LYS 71 5.052 5.120 -5.185 103 HA LYS 71 HA LYS 71 6.543 4.162 -4.101 104 1HB LYS 71 2HB LYS 71 8.197 5.686 -5.344 105 2HB LYS 71 1HB LYS 71 8.289 6.649 -3.837 106 1HG LYS 71 2HG LYS 71 10.169 5.091 -3.983 107 2HG LYS 71 1HG LYS 71 9.121 4.646 -2.596 108 1HD LYS 71 2HD LYS 71 9.945 2.652 -3.760 109 2HD LYS 71 1HD LYS 71 8.159 2.751 -3.889 110 1HE LYS 71 2HE LYS 71 8.362 3.577 -6.252 111 2HE LYS 71 1HE LYS 71 10.170 3.542 -6.109 112 1HZ LYS 71 2HZ LYS 71 8.345 1.216 -5.795 113 2HZ LYS 71 3HZ LYS 71 9.273 1.586 -7.168 114 3HZ LYS 71 1HZ LYS 71 10.041 1.188 -5.706 115 H VAL 72 H VAL 72 4.420 4.593 -2.816 116 HA VAL 72 HA VAL 72 5.277 5.363 -0.122 117 HB VAL 72 HB VAL 72 2.815 3.882 -0.269 118 1HG1 VAL 72 2HG1 VAL 72 3.716 5.075 1.731 119 2HG1 VAL 72 3HG1 VAL 72 3.635 6.644 0.843 120 3HG1 VAL 72 1HG1 VAL 72 2.121 5.759 1.252 121 1HG2 VAL 72 3HG2 VAL 72 2.957 6.618 -1.712 122 2HG2 VAL 72 1HG2 VAL 72 2.512 5.033 -2.468 123 3HG2 VAL 72 2HG2 VAL 72 1.442 5.773 -1.231 124 H LYS 73 H LYS 73 5.382 3.650 1.505 125 HA LYS 73 HA LYS 73 6.399 1.237 0.318 126 1HB LYS 73 2HB LYS 73 6.324 2.363 3.146 127 2HB LYS 73 1HB LYS 73 6.597 0.605 2.878 128 1HG LYS 73 2HG LYS 73 8.741 1.745 3.134 129 2HG LYS 73 1HG LYS 73 8.568 1.020 1.498 130 1HD LYS 73 2HD LYS 73 8.080 3.274 0.536 131 2HD LYS 73 1HD LYS 73 8.171 4.001 2.184 132 1HE LYS 73 2HE LYS 73 10.284 4.408 0.950 133 2HE LYS 73 1HE LYS 73 10.613 3.250 2.305 134 1HZ LYS 73 3HZ LYS 73 10.420 1.450 0.710 135 2HZ LYS 73 1HZ LYS 73 10.146 2.553 -0.549 136 3HZ LYS 73 2HZ LYS 73 11.635 2.551 0.270 137 H CYS 74 H CYS 74 4.844 0.123 -0.546 138 HA CYS 74 HA CYS 74 2.395 -0.341 0.912 139 1HB CYS 74 2HB CYS 74 2.377 0.546 -1.354 140 2HB CYS 74 1HB CYS 74 3.275 -0.846 -1.976 141 H ASP 75 H ASP 75 1.469 -2.808 0.441 142 HA ASP 75 HA ASP 75 3.555 -4.327 1.800 143 1HB ASP 75 2HB ASP 75 0.749 -3.449 2.733 144 2HB ASP 75 1HB ASP 75 1.653 -4.766 3.575 145 H LYS 76 H LYS 76 0.269 -5.093 2.068 146 HA LYS 76 HA LYS 76 -0.284 -6.728 0.091 147 1HB LYS 76 1HB LYS 76 1.782 -7.894 1.892 148 2HB LYS 76 2HB LYS 76 0.368 -8.960 1.828 149 1HG LYS 76 2HG LYS 76 0.808 -9.692 -0.260 150 2HG LYS 76 1HG LYS 76 1.195 -8.044 -0.874 151 1HD LYS 76 2HD LYS 76 3.416 -8.104 0.134 152 2HD LYS 76 1HD LYS 76 3.089 -9.686 0.917 153 1HE LYS 76 2HE LYS 76 4.523 -9.919 -1.155 154 2HE LYS 76 1HE LYS 76 2.961 -10.820 -1.304 155 1HZ LYS 76 1HZ LYS 76 3.475 -8.099 -2.382 156 2HZ LYS 76 2HZ LYS 76 3.547 -9.546 -3.268 157 3HZ LYS 76 3HZ LYS 76 2.074 -9.038 -2.590 158 H LEU 77 H LEU 77 -1.390 -4.981 2.455 159 HA LEU 77 HA LEU 77 -2.867 -6.559 4.068 160 1HB LEU 77 1HB LEU 77 -2.803 -3.703 3.040 161 2HB LEU 77 2HB LEU 77 -4.306 -4.284 3.860 162 HG LEU 77 HG LEU 77 -2.890 -5.057 5.735 163 1HD1 LEU 77 1HD1 LEU 77 -0.602 -3.567 4.428 164 2HD1 LEU 77 2HD1 LEU 77 -0.627 -4.136 6.147 165 3HD1 LEU 77 3HD1 LEU 77 -0.758 -5.341 4.812 166 1HD2 LEU 77 1HD2 LEU 77 -4.160 -2.900 5.852 167 2HD2 LEU 77 2HD2 LEU 77 -2.624 -2.782 6.800 168 3HD2 LEU 77 3HD2 LEU 77 -2.738 -2.036 5.160 169 H ARG 78 H ARG 78 -4.678 -7.466 3.920 170 HA ARG 78 HA ARG 78 -5.770 -7.718 1.260 171 1HB ARG 78 2HB ARG 78 -6.569 -9.139 3.849 172 2HB ARG 78 1HB ARG 78 -7.305 -9.468 2.239 173 1HG ARG 78 2HG ARG 78 -4.325 -9.855 2.947 174 2HG ARG 78 1HG ARG 78 -5.571 -11.148 2.868 175 1HD ARG 78 2HD ARG 78 -5.922 -10.685 0.423 176 2HD ARG 78 1HD ARG 78 -4.633 -9.402 0.486 177 HE ARG 78 HE ARG 78 -3.561 -11.836 1.571 178 1HH1 ARG 78 1HH1 ARG 78 -4.744 -10.403 -1.474 179 2HH1 ARG 78 2HH1 ARG 78 -3.729 -11.368 -2.494 180 1HH2 ARG 78 1HH2 ARG 78 -2.186 -13.145 0.176 181 2HH2 ARG 78 2HH2 ARG 78 -2.256 -12.948 -1.543 182 HA PRO 79 HA PRO 79 -7.663 -7.986 0.102 183 1HB PRO 79 2HB PRO 79 -9.625 -5.927 -0.891 184 2HB PRO 79 1HB PRO 79 -9.764 -7.725 -0.978 185 1HG PRO 79 2HG PRO 79 -11.318 -6.248 0.767 186 2HG PRO 79 1HG PRO 79 -10.648 -7.871 1.227 187 1HD PRO 79 2HD PRO 79 -9.516 -5.105 1.939 188 2HD PRO 79 1HD PRO 79 -9.736 -6.571 3.006 189 H HIS 80 H HIS 80 -8.221 -4.394 0.321 190 HA HIS 80 HA HIS 80 -6.033 -3.983 -1.575 191 1HB HIS 80 2HB HIS 80 -7.025 -1.604 -1.657 192 2HB HIS 80 1HB HIS 80 -8.060 -2.904 -2.338 193 HD1 HIS 80 HD1 HIS 80 -7.981 -0.399 0.460 194 HD2 HIS 80 HD2 HIS 80 -10.337 -3.652 -0.748 195 HE1 HIS 80 HE1 HIS 80 -10.173 -0.326 1.769 196 H CYS 81 H CYS 81 -4.656 -2.002 -1.024 197 HA CYS 81 HA CYS 81 -3.641 -2.725 1.496 198 1HB CYS 81 2HB CYS 81 -1.647 -1.557 0.955 199 2HB CYS 81 1HB CYS 81 -2.224 -2.211 -0.608 200 H GLN 82 H GLN 82 -2.518 -0.940 2.830 201 HA GLN 82 HA GLN 82 -4.450 0.449 4.160 202 1HB GLN 82 1HB GLN 82 -2.326 1.816 5.081 203 2HB GLN 82 2HB GLN 82 -2.774 0.164 5.595 204 1HG GLN 82 2HG GLN 82 -0.410 0.166 5.266 205 2HG GLN 82 1HG GLN 82 -1.114 -0.818 3.941 206 1HE2 GLN 82 2HE2 GLN 82 0.452 1.068 1.431 207 2HE2 GLN 82 1HE2 GLN 82 -0.274 -0.413 1.961 208 H GLN 83 H GLN 83 -2.554 1.741 1.413 209 HA GLN 83 HA GLN 83 -3.180 4.432 1.999 210 1HB GLN 83 1HB GLN 83 -2.350 3.042 -0.610 211 2HB GLN 83 2HB GLN 83 -2.566 4.801 -0.410 212 1HG GLN 83 2HG GLN 83 -0.510 3.097 1.139 213 2HG GLN 83 1HG GLN 83 -0.159 4.104 -0.315 214 1HE2 GLN 83 2HE2 GLN 83 -0.521 7.285 1.278 215 2HE2 GLN 83 1HE2 GLN 83 -0.770 6.447 -0.217 216 H CYS 84 H CYS 84 -4.405 2.146 -0.635 217 HA CYS 84 HA CYS 84 -6.419 3.604 -1.457 218 1HB CYS 84 2HB CYS 84 -5.883 0.580 -1.387 219 2HB CYS 84 1HB CYS 84 -6.838 1.384 -2.623 220 H THR 85 H THR 85 -6.396 1.808 1.573 221 HA THR 85 HA THR 85 -9.216 1.454 1.564 222 HB THR 85 HB THR 85 -7.277 1.692 3.947 223 HG1 THR 85 HG1 THR 85 -6.780 0.004 2.576 224 1HG2 THR 85 3HG2 THR 85 -10.157 0.563 3.716 225 2HG2 THR 85 1HG2 THR 85 -9.067 0.311 5.127 226 3HG2 THR 85 2HG2 THR 85 -9.638 1.962 4.737 227 H LYS 86 H LYS 86 -6.847 3.831 2.818 228 HA LYS 86 HA LYS 86 -8.799 5.351 4.146 229 1HB LYS 86 1HB LYS 86 -6.368 5.038 4.782 230 2HB LYS 86 2HB LYS 86 -6.077 6.254 3.492 231 1HG LYS 86 2HG LYS 86 -7.481 7.914 4.730 232 2HG LYS 86 1HG LYS 86 -7.909 6.650 5.935 233 1HD LYS 86 2HD LYS 86 -5.483 6.448 6.558 234 2HD LYS 86 1HD LYS 86 -5.093 7.798 5.431 235 1HE LYS 86 2HE LYS 86 -7.011 7.989 7.859 236 2HE LYS 86 1HE LYS 86 -5.295 8.571 7.829 237 1HZ LYS 86 3HZ LYS 86 -7.493 9.515 6.063 238 2HZ LYS 86 1HZ LYS 86 -6.872 10.325 7.420 239 3HZ LYS 86 2HZ LYS 86 -5.889 10.072 6.058 240 H THR 87 H THR 87 -7.263 5.451 0.922 241 HA THR 87 HA THR 87 -8.108 8.143 0.451 242 HB THR 87 HB THR 87 -6.799 5.966 -1.251 243 HG1 THR 87 HG1 THR 87 -5.591 6.911 0.416 244 1HG2 THR 87 2HG2 THR 87 -7.480 8.916 -1.917 245 2HG2 THR 87 3HG2 THR 87 -6.332 7.882 -2.858 246 3HG2 THR 87 1HG2 THR 87 -8.059 7.429 -2.766 247 H GLY 88 H GLY 88 -8.901 4.737 -0.473 248 1HA GLY 88 1HA GLY 88 -11.001 3.978 -0.785 249 2HA GLY 88 2HA GLY 88 -11.584 5.664 -1.124 250 H VAL 89 H VAL 89 -8.556 4.434 -2.421 251 HA VAL 89 HA VAL 89 -9.876 4.043 -4.994 252 HB VAL 89 HB VAL 89 -7.769 4.260 -6.144 253 1HG1 VAL 89 1HG2 VAL 89 -8.632 6.654 -4.435 254 2HG1 VAL 89 2HG2 VAL 89 -7.535 6.739 -5.865 255 3HG1 VAL 89 3HG2 VAL 89 -9.233 6.161 -6.044 256 1HG2 VAL 89 2HG1 VAL 89 -6.590 4.462 -3.316 257 2HG2 VAL 89 3HG1 VAL 89 -6.085 3.605 -4.838 258 3HG2 VAL 89 1HG1 VAL 89 -5.833 5.378 -4.692 259 H ALA 90 H ALA 90 -10.280 2.067 -3.163 260 HA ALA 90 HA ALA 90 -8.299 0.104 -3.190 261 1HB ALA 90 2HB ALA 90 -11.357 -0.259 -3.178 262 2HB ALA 90 1HB ALA 90 -10.139 -1.530 -2.785 263 3HB ALA 90 3HB ALA 90 -10.315 -0.083 -1.706 264 H HIS 91 H HIS 91 -10.624 1.286 -5.520 265 HA HIS 91 HA HIS 91 -10.886 -0.878 -7.249 266 1HB HIS 91 1HB HIS 91 -12.034 0.641 -8.632 267 2HB HIS 91 2HB HIS 91 -12.206 1.341 -6.960 268 HD1 HIS 91 HD1 HIS 91 -10.510 3.407 -6.370 269 HD2 HIS 91 HD2 HIS 91 -11.784 2.620 -10.260 270 HE1 HIS 91 HE1 HIS 91 -10.423 5.607 -7.667 271 H LEU 92 H LEU 92 -8.560 1.786 -6.877 272 HA LEU 92 HA LEU 92 -7.268 0.863 -9.341 273 1HB LEU 92 2HB LEU 92 -6.268 3.039 -7.407 274 2HB LEU 92 1HB LEU 92 -5.571 2.652 -9.017 275 HG LEU 92 HG LEU 92 -8.265 3.943 -8.391 276 1HD1 LEU 92 2HD1 LEU 92 -6.286 5.450 -8.465 277 2HD1 LEU 92 3HD1 LEU 92 -5.883 4.855 -10.121 278 3HD1 LEU 92 1HD1 LEU 92 -7.412 5.771 -9.838 279 1HD2 LEU 92 3HD2 LEU 92 -7.298 2.747 -11.056 280 2HD2 LEU 92 1HD2 LEU 92 -8.729 2.250 -10.081 281 3HD2 LEU 92 2HD2 LEU 92 -8.712 3.869 -10.888 282 H CYS 93 H CYS 93 -7.448 -0.279 -6.490 283 HA CYS 93 HA CYS 93 -4.541 -0.607 -6.110 284 1HB CYS 93 2HB CYS 93 -5.784 0.151 -4.199 285 2HB CYS 93 1HB CYS 93 -6.781 -1.288 -4.140 286 H HIS 94 H HIS 94 -3.779 -2.134 -7.459 287 HA HIS 94 HA HIS 94 -4.665 -4.810 -6.674 288 1HB HIS 94 2HB HIS 94 -3.910 -4.027 -9.557 289 2HB HIS 94 1HB HIS 94 -4.278 -5.685 -8.955 290 HD1 HIS 94 HD1 HIS 94 -5.998 -2.362 -9.769 291 HD2 HIS 94 HD2 HIS 94 -7.050 -6.276 -8.687 292 HE1 HIS 94 HE1 HIS 94 -8.527 -2.610 -10.043 293 H TYR 95 H TYR 95 -2.878 -6.168 -6.330 294 HA TYR 95 HA TYR 95 -0.375 -4.734 -6.278 295 1HB TYR 95 1HB TYR 95 -0.963 -7.635 -5.457 296 2HB TYR 95 2HB TYR 95 0.614 -6.769 -5.230 297 HD1 TYR 95 HD1 TYR 95 0.776 -4.880 -3.546 298 HD2 TYR 95 HD2 TYR 95 -2.820 -7.157 -4.138 299 HE1 TYR 95 HE1 TYR 95 -0.116 -4.038 -1.474 300 HE2 TYR 95 HE2 TYR 95 -3.682 -6.299 -2.004 301 HH TYR 95 HH TYR 95 -1.740 -4.055 -0.030 302 H MET 96 H MET 96 1.557 -5.484 -7.361 303 HA MET 96 HA MET 96 0.992 -6.403 -9.973 304 1HB MET 96 1HB MET 96 3.579 -5.942 -8.636 305 2HB MET 96 2HB MET 96 3.375 -6.263 -10.390 306 1HG MET 96 2HG MET 96 1.877 -4.198 -10.497 307 2HG MET 96 1HG MET 96 2.298 -3.845 -8.792 308 1HE MET 96 1HE MET 96 2.429 -1.795 -10.877 309 2HE MET 96 2HE MET 96 3.061 -1.514 -9.219 310 3HE MET 96 3HE MET 96 4.023 -1.001 -10.644 311 H GLU 97 H GLU 97 1.321 -8.398 -10.861 312 HA GLU 97 HA GLU 97 1.404 -10.516 -8.991 313 1HB GLU 97 2HB GLU 97 -0.034 -10.423 -11.140 314 2HB GLU 97 1HB GLU 97 1.478 -10.696 -12.061 315 1HG GLU 97 2HG GLU 97 0.226 -12.807 -11.800 316 2HG GLU 97 1HG GLU 97 1.765 -12.922 -10.872 317 H GLN 98 H GLN 98 3.409 -9.312 -11.689 318 HA GLN 98 HA GLN 98 5.486 -9.407 -12.190 319 1HB GLN 98 1HB GLN 98 5.721 -8.563 -9.803 320 2HB GLN 98 2HB GLN 98 6.175 -10.233 -9.326 321 1HG GLN 98 2HG GLN 98 8.173 -10.085 -10.896 322 2HG GLN 98 1HG GLN 98 7.645 -8.417 -11.363 323 1HE2 GLN 98 2HE2 GLN 98 9.269 -9.253 -7.600 324 2HE2 GLN 98 1HE2 GLN 98 8.725 -10.522 -8.645 325 H THR 99 H THR 99 4.277 -11.363 -13.247 326 HA THR 99 HA THR 99 6.092 -13.643 -12.942 327 HB THR 99 HB THR 99 4.207 -15.042 -13.940 328 HG1 THR 99 HG1 THR 99 2.973 -13.297 -14.634 329 1HG2 THR 99 3HG2 THR 99 3.699 -13.814 -11.141 330 2HG2 THR 99 1HG2 THR 99 3.013 -15.359 -11.765 331 3HG2 THR 99 2HG2 THR 99 4.792 -15.198 -11.511 332 H TRP 100 H TRP 100 5.060 -10.909 -14.486 333 HA TRP 100 HA TRP 100 4.997 -11.927 -17.144 334 1HB TRP 100 2HB TRP 100 5.329 -9.015 -16.246 335 2HB TRP 100 1HB TRP 100 4.688 -9.606 -17.823 336 HD1 TRP 100 HD1 TRP 100 2.244 -11.291 -17.298 337 HE1 TRP 100 HE1 TRP 100 0.275 -10.592 -15.810 338 HE3 TRP 100 HE3 TRP 100 4.604 -7.752 -14.525 339 HZ2 TRP 100 HZ2 TRP 100 -0.199 -8.749 -13.715 340 HZ3 TRP 100 HZ3 TRP 100 3.339 -6.548 -12.807 341 HH2 TRP 100 HH2 TRP 100 0.976 -7.031 -12.412 No H/Q in entry = 341 Start of MODEL 10 1 1H ILE 60 3H ILE 60 11.255 -7.225 -5.824 2 2H ILE 60 1H ILE 60 12.671 -6.307 -6.005 3 3H ILE 60 2H ILE 60 12.514 -7.382 -4.689 4 HA ILE 60 HA ILE 60 12.230 -5.229 -3.925 5 HB ILE 60 HB ILE 60 10.479 -3.742 -4.888 6 1HG1 ILE 60 2HG1 ILE 60 10.239 -5.890 -7.092 7 2HG1 ILE 60 1HG1 ILE 60 8.960 -5.467 -5.903 8 1HG2 ILE 60 3HG2 ILE 60 12.925 -3.686 -5.476 9 2HG2 ILE 60 1HG2 ILE 60 12.588 -4.719 -6.917 10 3HG2 ILE 60 2HG2 ILE 60 11.872 -3.074 -6.797 11 1HD1 ILE 60 3HD1 ILE 60 8.885 -3.125 -6.810 12 2HD1 ILE 60 1HD1 ILE 60 10.093 -3.589 -8.068 13 3HD1 ILE 60 2HD1 ILE 60 8.479 -4.378 -8.041 14 HA PRO 61 HA PRO 61 8.601 -6.874 -1.757 15 1HB PRO 61 2HB PRO 61 7.641 -4.604 -0.425 16 2HB PRO 61 1HB PRO 61 9.069 -5.554 0.158 17 1HG PRO 61 2HG PRO 61 9.057 -2.973 -1.481 18 2HG PRO 61 1HG PRO 61 10.106 -3.406 -0.067 19 1HD PRO 61 2HD PRO 61 10.947 -3.645 -2.710 20 2HD PRO 61 1HD PRO 61 11.484 -4.834 -1.436 21 H LEU 62 H LEU 62 6.597 -7.227 -2.737 22 HA LEU 62 HA LEU 62 6.003 -5.824 -5.030 23 1HB LEU 62 2HB LEU 62 4.524 -7.819 -3.258 24 2HB LEU 62 1HB LEU 62 3.707 -7.074 -4.666 25 HG LEU 62 HG LEU 62 4.729 -9.352 -4.928 26 1HD1 LEU 62 3HD1 LEU 62 3.980 -7.846 -6.814 27 2HD1 LEU 62 1HD1 LEU 62 5.669 -7.247 -6.980 28 3HD1 LEU 62 2HD1 LEU 62 5.293 -8.984 -7.308 29 1HD2 LEU 62 3HD2 LEU 62 6.967 -9.025 -3.898 30 2HD2 LEU 62 1HD2 LEU 62 7.080 -9.642 -5.592 31 3HD2 LEU 62 2HD2 LEU 62 7.409 -7.901 -5.248 32 H SER 63 H SER 63 4.661 -4.351 -5.529 33 HA SER 63 HA SER 63 3.155 -3.072 -3.348 34 1HB SER 63 1HB SER 63 4.801 -1.677 -5.569 35 2HB SER 63 2HB SER 63 3.760 -0.817 -4.370 36 HG SER 63 HG SER 63 5.944 -0.838 -3.798 37 H CYS 64 H CYS 64 1.533 -1.487 -4.229 38 HA CYS 64 HA CYS 64 0.304 -2.794 -6.506 39 1HB CYS 64 2HB CYS 64 -1.737 -1.688 -6.110 40 2HB CYS 64 1HB CYS 64 -1.169 -2.347 -4.554 41 H THR 65 H THR 65 -0.942 -1.033 -7.945 42 HA THR 65 HA THR 65 1.283 -0.225 -9.413 43 HB THR 65 HB THR 65 -0.271 0.313 -11.191 44 HG1 THR 65 HG1 THR 65 -2.200 0.051 -9.126 45 1HG2 THR 65 3HG2 THR 65 0.181 -2.158 -10.492 46 2HG2 THR 65 1HG2 THR 65 -1.385 -2.107 -9.598 47 3HG2 THR 65 2HG2 THR 65 -1.367 -1.880 -11.378 48 H ILE 66 H ILE 66 -0.771 1.500 -7.180 49 HA ILE 66 HA ILE 66 -0.098 4.061 -8.339 50 HB ILE 66 HB ILE 66 -1.265 3.900 -5.685 51 1HG1 ILE 66 2HG1 ILE 66 -2.852 3.208 -8.239 52 2HG1 ILE 66 1HG1 ILE 66 -2.548 2.121 -6.832 53 1HG2 ILE 66 3HG2 ILE 66 -0.626 6.051 -6.825 54 2HG2 ILE 66 1HG2 ILE 66 -1.734 5.651 -8.185 55 3HG2 ILE 66 2HG2 ILE 66 -2.393 5.976 -6.537 56 1HD1 ILE 66 2HD1 ILE 66 -3.755 3.831 -5.355 57 2HD1 ILE 66 3HD1 ILE 66 -4.320 4.623 -6.876 58 3HD1 ILE 66 1HD1 ILE 66 -4.762 2.907 -6.520 59 H CYS 67 H CYS 67 0.756 1.846 -5.640 60 HA CYS 67 HA CYS 67 2.132 3.785 -4.190 61 1HB CYS 67 2HB CYS 67 2.046 0.852 -4.092 62 2HB CYS 67 1HB CYS 67 3.119 1.787 -3.011 63 H ARG 68 H ARG 68 3.009 1.713 -6.912 64 HA ARG 68 HA ARG 68 5.794 2.066 -6.452 65 1HB ARG 68 2HB ARG 68 4.661 0.148 -7.764 66 2HB ARG 68 1HB ARG 68 4.459 1.323 -9.107 67 1HG ARG 68 2HG ARG 68 6.957 1.579 -9.233 68 2HG ARG 68 1HG ARG 68 7.136 0.535 -7.778 69 1HD ARG 68 2HD ARG 68 6.153 -1.404 -9.059 70 2HD ARG 68 1HD ARG 68 6.048 -0.343 -10.536 71 HE ARG 68 HE ARG 68 8.719 -0.236 -9.410 72 1HH1 ARG 68 1HH1 ARG 68 6.481 -2.376 -11.183 73 2HH1 ARG 68 2HH1 ARG 68 7.736 -3.263 -11.984 74 1HH2 ARG 68 1HH2 ARG 68 10.413 -1.449 -10.500 75 2HH2 ARG 68 2HH2 ARG 68 9.999 -2.729 -11.590 76 H LYS 69 H LYS 69 3.216 3.987 -7.956 77 HA LYS 69 HA LYS 69 4.987 5.499 -9.587 78 1HB LYS 69 1HB LYS 69 2.138 6.090 -8.645 79 2HB LYS 69 2HB LYS 69 3.091 7.141 -9.747 80 1HG LYS 69 2HG LYS 69 3.236 5.360 -11.428 81 2HG LYS 69 1HG LYS 69 2.410 4.202 -10.336 82 1HD LYS 69 2HD LYS 69 0.369 5.672 -10.319 83 2HD LYS 69 1HD LYS 69 1.178 6.789 -11.475 84 1HE LYS 69 2HE LYS 69 0.541 3.809 -12.029 85 2HE LYS 69 1HE LYS 69 -0.411 5.228 -12.638 86 1HZ LYS 69 3HZ LYS 69 1.561 5.992 -13.772 87 2HZ LYS 69 1HZ LYS 69 2.451 4.661 -13.208 88 3HZ LYS 69 2HZ LYS 69 1.141 4.421 -14.262 89 H ARG 70 H ARG 70 3.331 6.057 -6.354 90 HA ARG 70 HA ARG 70 4.534 8.608 -6.185 91 1HB ARG 70 2HB ARG 70 3.581 7.033 -3.766 92 2HB ARG 70 1HB ARG 70 3.555 8.808 -4.016 93 1HG ARG 70 2HG ARG 70 1.748 6.689 -5.330 94 2HG ARG 70 1HG ARG 70 1.297 7.808 -4.036 95 1HD ARG 70 2HD ARG 70 1.577 9.763 -5.601 96 2HD ARG 70 1HD ARG 70 1.990 8.613 -6.948 97 HE ARG 70 HE ARG 70 -0.493 7.842 -5.677 98 1HH1 ARG 70 1HH1 ARG 70 0.975 10.340 -7.758 99 2HH1 ARG 70 2HH1 ARG 70 -0.502 10.739 -8.570 100 1HH2 ARG 70 1HH2 ARG 70 -2.493 8.391 -6.785 101 2HH2 ARG 70 2HH2 ARG 70 -2.502 9.616 -8.009 102 H LYS 71 H LYS 71 5.300 5.313 -5.197 103 HA LYS 71 HA LYS 71 6.834 4.340 -4.144 104 1HB LYS 71 2HB LYS 71 8.531 5.703 -5.456 105 2HB LYS 71 1HB LYS 71 8.682 6.746 -4.000 106 1HG LYS 71 2HG LYS 71 8.787 3.948 -3.147 107 2HG LYS 71 1HG LYS 71 9.829 4.119 -4.576 108 1HD LYS 71 2HD LYS 71 11.034 6.036 -3.419 109 2HD LYS 71 1HD LYS 71 9.919 5.834 -2.014 110 1HE LYS 71 2HE LYS 71 10.801 3.509 -1.640 111 2HE LYS 71 1HE LYS 71 11.932 3.716 -3.042 112 1HZ LYS 71 1HZ LYS 71 12.921 5.580 -1.891 113 2HZ LYS 71 2HZ LYS 71 11.867 5.375 -0.575 114 3HZ LYS 71 3HZ LYS 71 12.997 4.164 -0.954 115 H VAL 72 H VAL 72 5.187 4.261 -2.608 116 HA VAL 72 HA VAL 72 6.070 5.337 -0.079 117 HB VAL 72 HB VAL 72 3.607 4.911 0.554 118 1HG1 VAL 72 1HG1 VAL 72 4.687 7.174 0.557 119 2HG1 VAL 72 2HG1 VAL 72 4.292 7.369 -1.194 120 3HG1 VAL 72 3HG1 VAL 72 2.967 7.278 0.025 121 1HG2 VAL 72 2HG2 VAL 72 2.868 3.810 -1.549 122 2HG2 VAL 72 3HG2 VAL 72 1.902 5.277 -1.199 123 3HG2 VAL 72 1HG2 VAL 72 3.165 5.331 -2.473 124 H LYS 73 H LYS 73 5.375 3.591 1.583 125 HA LYS 73 HA LYS 73 5.972 1.072 0.319 126 1HB LYS 73 2HB LYS 73 5.559 1.851 3.242 127 2HB LYS 73 1HB LYS 73 5.810 0.151 2.707 128 1HG LYS 73 2HG LYS 73 7.751 2.431 2.057 129 2HG LYS 73 1HG LYS 73 7.900 1.396 3.528 130 1HD LYS 73 2HD LYS 73 8.128 -0.631 2.116 131 2HD LYS 73 1HD LYS 73 7.973 0.355 0.621 132 1HE LYS 73 2HE LYS 73 10.232 0.684 2.704 133 2HE LYS 73 1HE LYS 73 10.363 -0.199 1.124 134 1HZ LYS 73 2HZ LYS 73 9.807 1.846 -0.001 135 2HZ LYS 73 3HZ LYS 73 9.695 2.677 1.476 136 3HZ LYS 73 1HZ LYS 73 11.186 2.035 0.972 137 H CYS 74 H CYS 74 4.603 -0.223 -0.433 138 HA CYS 74 HA CYS 74 1.829 -0.082 0.218 139 1HB CYS 74 1HB CYS 74 2.943 -0.705 -2.052 140 2HB CYS 74 2HB CYS 74 3.286 -2.294 -1.298 141 H ASP 75 H ASP 75 0.808 -2.503 0.704 142 HA ASP 75 HA ASP 75 2.107 -2.821 3.345 143 1HB ASP 75 2HB ASP 75 -0.871 -2.565 2.672 144 2HB ASP 75 1HB ASP 75 -0.213 -2.908 4.313 145 H LYS 76 H LYS 76 0.199 -4.193 0.752 146 HA LYS 76 HA LYS 76 -0.338 -6.192 0.117 147 1HB LYS 76 2HB LYS 76 1.659 -7.326 2.136 148 2HB LYS 76 1HB LYS 76 0.900 -8.227 0.786 149 1HG LYS 76 2HG LYS 76 2.243 -7.167 -0.846 150 2HG LYS 76 1HG LYS 76 2.579 -5.730 0.182 151 1HD LYS 76 2HD LYS 76 3.912 -7.016 1.735 152 2HD LYS 76 1HD LYS 76 3.571 -8.552 0.851 153 1HE LYS 76 2HE LYS 76 4.780 -7.637 -1.169 154 2HE LYS 76 1HE LYS 76 5.185 -6.139 -0.229 155 1HZ LYS 76 3HZ LYS 76 5.958 -8.924 0.466 156 2HZ LYS 76 1HZ LYS 76 6.961 -7.733 -0.211 157 3HZ LYS 76 2HZ LYS 76 6.339 -7.528 1.357 158 H LEU 77 H LEU 77 -2.125 -5.037 1.778 159 HA LEU 77 HA LEU 77 -2.746 -6.992 3.841 160 1HB LEU 77 1HB LEU 77 -4.465 -4.648 2.867 161 2HB LEU 77 2HB LEU 77 -4.738 -5.654 4.329 162 HG LEU 77 HG LEU 77 -2.748 -3.416 3.871 163 1HD1 LEU 77 1HD2 LEU 77 -4.921 -4.131 5.946 164 2HD1 LEU 77 2HD2 LEU 77 -3.829 -2.717 6.099 165 3HD1 LEU 77 3HD2 LEU 77 -4.974 -2.824 4.701 166 1HD2 LEU 77 3HD1 LEU 77 -2.576 -5.461 6.172 167 2HD2 LEU 77 1HD1 LEU 77 -1.343 -5.201 4.870 168 3HD2 LEU 77 2HD1 LEU 77 -1.688 -3.891 6.038 169 H ARG 78 H ARG 78 -5.029 -7.932 3.783 170 HA ARG 78 HA ARG 78 -5.826 -8.337 0.998 171 1HB ARG 78 2HB ARG 78 -6.406 -10.036 3.468 172 2HB ARG 78 1HB ARG 78 -7.131 -10.311 1.843 173 1HG ARG 78 2HG ARG 78 -4.107 -10.364 2.457 174 2HG ARG 78 1HG ARG 78 -5.158 -11.816 2.360 175 1HD ARG 78 2HD ARG 78 -5.597 -11.465 -0.017 176 2HD ARG 78 1HD ARG 78 -4.771 -9.863 -0.021 177 HE ARG 78 HE ARG 78 -3.469 -12.553 0.215 178 1HH1 ARG 78 1HH1 ARG 78 -3.140 -8.987 0.106 179 2HH1 ARG 78 2HH1 ARG 78 -1.449 -9.028 -0.270 180 1HH2 ARG 78 1HH2 ARG 78 -1.197 -12.569 -0.289 181 2HH2 ARG 78 2HH2 ARG 78 -0.335 -11.081 -0.496 182 HA PRO 79 HA PRO 79 -7.555 -8.243 -0.243 183 1HB PRO 79 2HB PRO 79 -9.438 -6.605 -1.446 184 2HB PRO 79 1HB PRO 79 -9.873 -8.154 -0.612 185 1HG PRO 79 2HG PRO 79 -10.051 -5.307 0.479 186 2HG PRO 79 1HG PRO 79 -11.269 -6.647 0.617 187 1HD PRO 79 2HD PRO 79 -9.418 -6.017 2.637 188 2HD PRO 79 1HD PRO 79 -9.995 -7.724 2.350 189 H HIS 80 H HIS 80 -8.008 -4.786 0.872 190 HA HIS 80 HA HIS 80 -6.134 -4.011 -1.245 191 1HB HIS 80 1HB HIS 80 -8.505 -2.535 -0.038 192 2HB HIS 80 2HB HIS 80 -7.440 -1.851 -1.313 193 HD1 HIS 80 HD1 HIS 80 -10.769 -3.153 -1.052 194 HD2 HIS 80 HD2 HIS 80 -7.391 -4.226 -3.149 195 HE1 HIS 80 HE1 HIS 80 -11.584 -4.512 -3.062 196 H CYS 81 H CYS 81 -4.763 -2.169 -0.819 197 HA CYS 81 HA CYS 81 -3.675 -2.570 1.758 198 1HB CYS 81 2HB CYS 81 -1.686 -1.643 0.985 199 2HB CYS 81 1HB CYS 81 -2.359 -2.374 -0.496 200 H GLN 82 H GLN 82 -2.648 -0.649 2.913 201 HA GLN 82 HA GLN 82 -4.785 0.797 3.906 202 1HB GLN 82 2HB GLN 82 -1.804 1.255 4.405 203 2HB GLN 82 1HB GLN 82 -3.139 1.911 5.415 204 1HG GLN 82 2HG GLN 82 -3.875 -0.355 6.040 205 2HG GLN 82 1HG GLN 82 -2.687 -1.099 4.903 206 1HE2 GLN 82 2HE2 GLN 82 -0.668 -1.618 7.687 207 2HE2 GLN 82 1HE2 GLN 82 -1.789 -2.295 6.541 208 H GLN 83 H GLN 83 -2.621 1.808 1.291 209 HA GLN 83 HA GLN 83 -3.003 4.587 1.717 210 1HB GLN 83 1HB GLN 83 -2.131 2.939 -0.701 211 2HB GLN 83 2HB GLN 83 -2.540 4.682 -0.773 212 1HG GLN 83 2HG GLN 83 -0.134 4.495 -0.602 213 2HG GLN 83 1HG GLN 83 -0.779 5.214 0.920 214 1HE2 GLN 83 2HE2 GLN 83 1.070 2.946 2.822 215 2HE2 GLN 83 1HE2 GLN 83 0.476 4.551 2.560 216 H CYS 84 H CYS 84 -4.334 2.264 -0.815 217 HA CYS 84 HA CYS 84 -6.239 3.882 -1.647 218 1HB CYS 84 2HB CYS 84 -5.984 0.824 -1.633 219 2HB CYS 84 1HB CYS 84 -6.902 1.788 -2.826 220 H THR 85 H THR 85 -6.436 1.941 1.302 221 HA THR 85 HA THR 85 -9.305 1.772 1.077 222 HB THR 85 HB THR 85 -7.489 1.219 3.463 223 HG1 THR 85 HG1 THR 85 -7.207 -0.112 1.642 224 1HG2 THR 85 1HG2 THR 85 -10.483 0.629 2.884 225 2HG2 THR 85 2HG2 THR 85 -9.532 -0.133 4.215 226 3HG2 THR 85 3HG2 THR 85 -9.836 1.633 4.241 227 H LYS 86 H LYS 86 -6.774 3.829 2.495 228 HA LYS 86 HA LYS 86 -8.547 5.334 4.084 229 1HB LYS 86 1HB LYS 86 -6.165 4.993 4.633 230 2HB LYS 86 2HB LYS 86 -5.813 5.992 3.191 231 1HG LYS 86 2HG LYS 86 -5.543 7.307 5.239 232 2HG LYS 86 1HG LYS 86 -6.904 7.979 4.293 233 1HD LYS 86 2HD LYS 86 -8.528 6.803 5.808 234 2HD LYS 86 1HD LYS 86 -7.150 6.082 6.715 235 1HE LYS 86 2HE LYS 86 -6.386 8.380 7.390 236 2HE LYS 86 1HE LYS 86 -7.775 9.103 6.473 237 1HZ LYS 86 1HZ LYS 86 -7.975 7.198 8.749 238 2HZ LYS 86 2HZ LYS 86 -8.246 8.874 8.805 239 3HZ LYS 86 3HZ LYS 86 -9.274 7.879 7.892 240 H THR 87 H THR 87 -7.232 5.558 0.760 241 HA THR 87 HA THR 87 -8.075 8.260 0.454 242 HB THR 87 HB THR 87 -7.098 6.150 -1.534 243 HG1 THR 87 HG1 THR 87 -5.227 7.379 -1.390 244 1HG2 THR 87 2HG2 THR 87 -7.590 9.199 -1.836 245 2HG2 THR 87 3HG2 THR 87 -6.678 8.173 -3.011 246 3HG2 THR 87 1HG2 THR 87 -8.422 7.870 -2.745 247 H GLY 88 H GLY 88 -9.004 5.031 -0.876 248 1HA GLY 88 1HA GLY 88 -11.279 4.433 -0.907 249 2HA GLY 88 2HA GLY 88 -11.678 6.139 -1.371 250 H VAL 89 H VAL 89 -8.728 4.798 -2.631 251 HA VAL 89 HA VAL 89 -10.046 4.332 -5.180 252 HB VAL 89 HB VAL 89 -7.941 4.431 -6.306 253 1HG1 VAL 89 2HG2 VAL 89 -9.245 6.497 -5.992 254 2HG1 VAL 89 3HG2 VAL 89 -8.389 6.834 -4.446 255 3HG1 VAL 89 1HG2 VAL 89 -7.473 6.838 -5.993 256 1HG2 VAL 89 2HG1 VAL 89 -6.729 4.489 -3.469 257 2HG2 VAL 89 3HG1 VAL 89 -6.334 3.534 -4.954 258 3HG2 VAL 89 1HG1 VAL 89 -5.884 5.269 -4.867 259 H ALA 90 H ALA 90 -10.504 2.394 -3.203 260 HA ALA 90 HA ALA 90 -8.431 0.487 -3.170 261 1HB ALA 90 2HB ALA 90 -10.137 0.542 -1.364 262 2HB ALA 90 1HB ALA 90 -11.396 0.039 -2.573 263 3HB ALA 90 3HB ALA 90 -10.020 -1.064 -2.186 264 H HIS 91 H HIS 91 -10.885 1.239 -5.424 265 HA HIS 91 HA HIS 91 -11.102 -1.198 -6.814 266 1HB HIS 91 2HB HIS 91 -11.551 0.306 -8.797 267 2HB HIS 91 1HB HIS 91 -12.711 0.453 -7.402 268 HD1 HIS 91 HD1 HIS 91 -11.738 2.754 -5.790 269 HD2 HIS 91 HD2 HIS 91 -11.371 2.653 -9.964 270 HE1 HIS 91 HE1 HIS 91 -11.551 5.159 -6.633 271 H LEU 92 H LEU 92 -8.792 1.516 -6.816 272 HA LEU 92 HA LEU 92 -7.436 0.280 -9.082 273 1HB LEU 92 2HB LEU 92 -6.669 2.833 -7.559 274 2HB LEU 92 1HB LEU 92 -6.001 2.288 -9.140 275 HG LEU 92 HG LEU 92 -8.858 3.223 -8.521 276 1HD1 LEU 92 2HD1 LEU 92 -7.228 5.062 -8.747 277 2HD1 LEU 92 3HD1 LEU 92 -6.703 4.431 -10.356 278 3HD1 LEU 92 1HD1 LEU 92 -8.387 5.043 -10.128 279 1HD2 LEU 92 2HD2 LEU 92 -7.716 1.999 -11.105 280 2HD2 LEU 92 3HD2 LEU 92 -9.023 1.337 -10.055 281 3HD2 LEU 92 1HD2 LEU 92 -9.309 2.858 -10.989 282 H CYS 93 H CYS 93 -7.622 -0.609 -6.181 283 HA CYS 93 HA CYS 93 -4.716 -0.798 -5.720 284 1HB CYS 93 1HB CYS 93 -6.261 -0.371 -3.778 285 2HB CYS 93 2HB CYS 93 -6.878 -2.043 -3.965 286 H HIS 94 H HIS 94 -3.780 -2.262 -7.118 287 HA HIS 94 HA HIS 94 -4.601 -4.985 -6.593 288 1HB HIS 94 2HB HIS 94 -4.064 -3.899 -9.430 289 2HB HIS 94 1HB HIS 94 -4.151 -5.643 -8.967 290 HD1 HIS 94 HD1 HIS 94 -6.659 -6.348 -7.949 291 HD2 HIS 94 HD2 HIS 94 -6.493 -2.755 -10.111 292 HE1 HIS 94 HE1 HIS 94 -9.045 -5.685 -8.573 293 H TYR 95 H TYR 95 -2.814 -6.229 -6.301 294 HA TYR 95 HA TYR 95 -0.307 -4.766 -6.438 295 1HB TYR 95 1HB TYR 95 -0.652 -7.625 -5.401 296 2HB TYR 95 2HB TYR 95 0.733 -6.498 -5.094 297 HD1 TYR 95 HD1 TYR 95 -2.726 -7.367 -4.383 298 HD2 TYR 95 HD2 TYR 95 0.485 -4.727 -3.268 299 HE1 TYR 95 HE1 TYR 95 -3.975 -6.640 -2.408 300 HE2 TYR 95 HE2 TYR 95 -0.772 -4.042 -1.353 301 HH TYR 95 HH TYR 95 -4.013 -5.292 -0.633 302 H MET 96 H MET 96 1.493 -5.586 -7.598 303 HA MET 96 HA MET 96 0.961 -6.844 -10.020 304 1HB MET 96 1HB MET 96 3.557 -6.615 -8.650 305 2HB MET 96 2HB MET 96 3.327 -6.877 -10.406 306 1HG MET 96 2HG MET 96 2.170 -4.639 -10.548 307 2HG MET 96 1HG MET 96 2.510 -4.351 -8.816 308 1HE MET 96 3HE MET 96 4.722 -4.130 -7.715 309 2HE MET 96 1HE MET 96 5.554 -5.543 -8.453 310 3HE MET 96 2HE MET 96 6.312 -3.919 -8.520 311 H GLU 97 H GLU 97 1.739 -8.919 -10.812 312 HA GLU 97 HA GLU 97 1.221 -10.945 -8.876 313 1HB GLU 97 2HB GLU 97 2.028 -11.155 -11.832 314 2HB GLU 97 1HB GLU 97 1.671 -12.550 -10.765 315 1HG GLU 97 2HG GLU 97 -0.323 -12.216 -12.017 316 2HG GLU 97 1HG GLU 97 -0.672 -11.556 -10.372 317 H GLN 98 H GLN 98 2.594 -12.610 -8.222 318 HA GLN 98 HA GLN 98 5.359 -11.789 -8.121 319 1HB GLN 98 2HB GLN 98 3.880 -14.105 -6.756 320 2HB GLN 98 1HB GLN 98 5.597 -13.649 -6.467 321 1HG GLN 98 2HG GLN 98 4.855 -11.386 -5.656 322 2HG GLN 98 1HG GLN 98 3.129 -11.895 -5.834 323 1HE2 GLN 98 2HE2 GLN 98 3.298 -14.420 -3.203 324 2HE2 GLN 98 1HE2 GLN 98 2.657 -14.164 -4.791 325 H THR 99 H THR 99 3.251 -14.070 -9.749 326 HA THR 99 HA THR 99 5.361 -15.911 -10.279 327 HB THR 99 HB THR 99 3.194 -16.861 -10.043 328 HG1 THR 99 HG1 THR 99 3.085 -17.902 -12.036 329 1HG2 THR 99 1HG2 THR 99 1.803 -14.862 -10.743 330 2HG2 THR 99 2HG2 THR 99 2.275 -15.155 -12.461 331 3HG2 THR 99 3HG2 THR 99 1.322 -16.383 -11.568 332 H TRP 100 H TRP 100 3.775 -13.155 -11.929 333 HA TRP 100 HA TRP 100 5.387 -13.581 -14.278 334 1HB TRP 100 1HB TRP 100 3.641 -11.236 -13.359 335 2HB TRP 100 2HB TRP 100 4.616 -11.221 -14.873 336 HD1 TRP 100 HD1 TRP 100 1.487 -13.097 -13.395 337 HE1 TRP 100 HE1 TRP 100 0.183 -14.055 -15.376 338 HE3 TRP 100 HE3 TRP 100 4.783 -11.956 -17.079 339 HZ2 TRP 100 HZ2 TRP 100 0.539 -14.309 -18.174 340 HZ3 TRP 100 HZ3 TRP 100 4.252 -12.591 -19.388 341 HH2 TRP 100 HH2 TRP 100 2.166 -13.748 -19.928 No H/Q in entry = 341 Start of MODEL 11 1 1H ILE 60 3H ILE 60 10.481 -11.474 -4.581 2 2H ILE 60 1H ILE 60 9.892 -10.780 -6.014 3 3H ILE 60 2H ILE 60 11.565 -10.864 -5.736 4 HA ILE 60 HA ILE 60 11.388 -9.435 -3.905 5 HB ILE 60 HB ILE 60 11.685 -8.708 -6.331 6 1HG1 ILE 60 2HG1 ILE 60 11.382 -6.256 -5.978 7 2HG1 ILE 60 1HG1 ILE 60 10.543 -6.572 -4.432 8 1HG2 ILE 60 3HG2 ILE 60 9.255 -9.142 -6.964 9 2HG2 ILE 60 1HG2 ILE 60 8.805 -7.644 -6.048 10 3HG2 ILE 60 2HG2 ILE 60 9.890 -7.534 -7.471 11 1HD1 ILE 60 3HD1 ILE 60 13.458 -7.372 -5.123 12 2HD1 ILE 60 1HD1 ILE 60 12.956 -5.976 -4.096 13 3HD1 ILE 60 2HD1 ILE 60 12.652 -7.658 -3.533 14 HA PRO 61 HA PRO 61 7.181 -9.247 -2.310 15 1HB PRO 61 1HB PRO 61 7.920 -6.572 -1.073 16 2HB PRO 61 2HB PRO 61 7.233 -8.029 -0.237 17 1HG PRO 61 2HG PRO 61 9.879 -7.411 0.078 18 2HG PRO 61 1HG PRO 61 9.381 -9.132 -0.218 19 1HD PRO 61 2HD PRO 61 10.395 -7.091 -2.274 20 2HD PRO 61 1HD PRO 61 10.918 -8.820 -2.058 21 H LEU 62 H LEU 62 5.230 -8.354 -3.162 22 HA LEU 62 HA LEU 62 5.751 -6.659 -5.388 23 1HB LEU 62 1HB LEU 62 3.057 -7.709 -4.363 24 2HB LEU 62 2HB LEU 62 3.357 -6.934 -5.951 25 HG LEU 62 HG LEU 62 4.304 -9.689 -4.999 26 1HD1 LEU 62 2HD1 LEU 62 2.491 -8.649 -7.265 27 2HD1 LEU 62 3HD1 LEU 62 2.957 -10.385 -7.038 28 3HD1 LEU 62 1HD1 LEU 62 1.973 -9.529 -5.785 29 1HD2 LEU 62 3HD2 LEU 62 5.183 -8.145 -7.517 30 2HD2 LEU 62 1HD2 LEU 62 6.235 -8.809 -6.211 31 3HD2 LEU 62 2HD2 LEU 62 5.352 -9.931 -7.304 32 H SER 63 H SER 63 4.516 -4.833 -5.992 33 HA SER 63 HA SER 63 3.398 -3.342 -3.738 34 1HB SER 63 2HB SER 63 5.755 -2.421 -4.247 35 2HB SER 63 1HB SER 63 5.277 -2.285 -5.983 36 HG SER 63 HG SER 63 5.099 -0.336 -4.858 37 H CYS 64 H CYS 64 1.689 -1.922 -4.364 38 HA CYS 64 HA CYS 64 0.406 -2.970 -6.666 39 1HB CYS 64 1HB CYS 64 -1.576 -2.018 -5.839 40 2HB CYS 64 2HB CYS 64 -0.740 -2.662 -4.425 41 H THR 65 H THR 65 -0.968 -1.166 -7.893 42 HA THR 65 HA THR 65 1.059 -0.178 -9.475 43 HB THR 65 HB THR 65 -0.764 0.740 -10.901 44 HG1 THR 65 HG1 THR 65 -2.363 -0.227 -8.762 45 1HG2 THR 65 3HG2 THR 65 -0.039 -1.715 -10.952 46 2HG2 THR 65 1HG2 THR 65 -1.351 -2.096 -9.777 47 3HG2 THR 65 2HG2 THR 65 -1.767 -1.466 -11.407 48 H ILE 66 H ILE 66 -0.781 1.433 -6.934 49 HA ILE 66 HA ILE 66 -0.073 4.025 -8.000 50 HB ILE 66 HB ILE 66 -1.508 3.582 -5.493 51 1HG1 ILE 66 2HG1 ILE 66 -2.709 3.758 -8.330 52 2HG1 ILE 66 1HG1 ILE 66 -2.682 2.277 -7.299 53 1HG2 ILE 66 3HG2 ILE 66 -1.305 5.882 -7.551 54 2HG2 ILE 66 1HG2 ILE 66 -2.381 5.918 -6.108 55 3HG2 ILE 66 2HG2 ILE 66 -0.614 5.893 -5.895 56 1HD1 ILE 66 1HD1 ILE 66 -4.002 3.430 -5.547 57 2HD1 ILE 66 2HD1 ILE 66 -4.208 4.856 -6.643 58 3HD1 ILE 66 3HD1 ILE 66 -4.870 3.251 -7.114 59 H CYS 67 H CYS 67 0.663 1.740 -5.314 60 HA CYS 67 HA CYS 67 2.090 3.703 -3.884 61 1HB CYS 67 1HB CYS 67 2.222 0.656 -3.721 62 2HB CYS 67 2HB CYS 67 3.104 1.758 -2.620 63 H ARG 68 H ARG 68 2.913 1.617 -6.587 64 HA ARG 68 HA ARG 68 5.726 1.908 -6.185 65 1HB ARG 68 2HB ARG 68 4.495 -0.062 -7.308 66 2HB ARG 68 1HB ARG 68 4.228 1.020 -8.715 67 1HG ARG 68 2HG ARG 68 6.678 1.146 -9.096 68 2HG ARG 68 1HG ARG 68 6.992 0.316 -7.528 69 1HD ARG 68 2HD ARG 68 5.894 -1.761 -8.365 70 2HD ARG 68 1HD ARG 68 5.556 -0.951 -9.961 71 HE ARG 68 HE ARG 68 8.325 -0.629 -9.493 72 1HH1 ARG 68 1HH1 ARG 68 5.980 -3.299 -9.807 73 2HH1 ARG 68 2HH1 ARG 68 7.111 -4.402 -10.521 74 1HH2 ARG 68 1HH2 ARG 68 9.849 -2.129 -10.460 75 2HH2 ARG 68 2HH2 ARG 68 9.343 -3.728 -10.895 76 H LYS 69 H LYS 69 3.092 3.705 -7.672 77 HA LYS 69 HA LYS 69 4.736 5.061 -9.550 78 1HB LYS 69 2HB LYS 69 2.294 4.600 -9.900 79 2HB LYS 69 1HB LYS 69 1.911 5.753 -8.575 80 1HG LYS 69 2HG LYS 69 2.910 7.621 -9.917 81 2HG LYS 69 1HG LYS 69 3.416 6.436 -11.176 82 1HD LYS 69 2HD LYS 69 0.992 5.856 -11.561 83 2HD LYS 69 1HD LYS 69 0.521 7.054 -10.303 84 1HE LYS 69 2HE LYS 69 0.228 8.024 -12.574 85 2HE LYS 69 1HE LYS 69 1.560 8.898 -11.711 86 1HZ LYS 69 1HZ LYS 69 1.899 6.703 -13.688 87 2HZ LYS 69 2HZ LYS 69 2.124 8.362 -13.974 88 3HZ LYS 69 3HZ LYS 69 3.144 7.540 -12.891 89 H ARG 70 H ARG 70 3.208 5.837 -6.317 90 HA ARG 70 HA ARG 70 4.249 8.450 -6.311 91 1HB ARG 70 1HB ARG 70 3.344 6.712 -3.959 92 2HB ARG 70 2HB ARG 70 3.447 8.496 -3.974 93 1HG ARG 70 2HG ARG 70 1.458 6.808 -5.611 94 2HG ARG 70 1HG ARG 70 1.143 7.482 -3.995 95 1HD ARG 70 2HD ARG 70 0.038 8.887 -5.595 96 2HD ARG 70 1HD ARG 70 1.472 9.830 -5.017 97 HE ARG 70 HE ARG 70 2.315 8.405 -7.324 98 1HH1 ARG 70 1HH1 ARG 70 -0.167 10.807 -6.436 99 2HH1 ARG 70 2HH1 ARG 70 -0.225 11.544 -8.003 100 1HH2 ARG 70 1HH2 ARG 70 2.226 9.411 -9.451 101 2HH2 ARG 70 2HH2 ARG 70 1.154 10.741 -9.738 102 H LYS 71 H LYS 71 5.179 5.220 -5.160 103 HA LYS 71 HA LYS 71 6.898 4.375 -4.327 104 1HB LYS 71 2HB LYS 71 8.290 6.022 -5.776 105 2HB LYS 71 1HB LYS 71 8.489 6.984 -4.283 106 1HG LYS 71 2HG LYS 71 10.443 5.590 -4.600 107 2HG LYS 71 1HG LYS 71 9.554 5.006 -3.158 108 1HD LYS 71 2HD LYS 71 10.453 3.141 -4.495 109 2HD LYS 71 1HD LYS 71 8.662 3.076 -4.415 110 1HE LYS 71 2HE LYS 71 9.542 2.500 -6.696 111 2HE LYS 71 1HE LYS 71 8.514 3.986 -6.754 112 1HZ LYS 71 2HZ LYS 71 11.486 3.913 -6.659 113 2HZ LYS 71 3HZ LYS 71 10.522 4.220 -8.022 114 3HZ LYS 71 1HZ LYS 71 10.518 5.307 -6.717 115 H VAL 72 H VAL 72 4.948 4.592 -2.759 116 HA VAL 72 HA VAL 72 6.052 5.513 -0.239 117 HB VAL 72 HB VAL 72 3.667 5.241 0.523 118 1HG1 VAL 72 1HG1 VAL 72 4.726 7.482 0.128 119 2HG1 VAL 72 2HG1 VAL 72 4.181 7.439 -1.592 120 3HG1 VAL 72 3HG1 VAL 72 2.965 7.510 -0.265 121 1HG2 VAL 72 1HG2 VAL 72 3.050 5.184 -2.501 122 2HG2 VAL 72 2HG2 VAL 72 2.720 3.875 -1.303 123 3HG2 VAL 72 3HG2 VAL 72 1.844 5.432 -1.197 124 H LYS 73 H LYS 73 5.328 3.765 1.431 125 HA LYS 73 HA LYS 73 6.091 1.290 0.214 126 1HB LYS 73 2HB LYS 73 6.637 2.110 2.687 127 2HB LYS 73 1HB LYS 73 5.080 1.238 2.938 128 1HG LYS 73 2HG LYS 73 6.246 -0.648 1.435 129 2HG LYS 73 1HG LYS 73 7.758 0.162 1.957 130 1HD LYS 73 2HD LYS 73 7.012 -0.145 4.367 131 2HD LYS 73 1HD LYS 73 5.535 -0.982 3.759 132 1HE LYS 73 2HE LYS 73 8.442 -1.954 3.306 133 2HE LYS 73 1HE LYS 73 7.271 -2.629 4.515 134 1HZ LYS 73 3HZ LYS 73 5.811 -3.201 2.694 135 2HZ LYS 73 1HZ LYS 73 6.911 -2.572 1.565 136 3HZ LYS 73 2HZ LYS 73 7.340 -3.918 2.507 137 H CYS 74 H CYS 74 4.737 -0.053 -0.780 138 HA CYS 74 HA CYS 74 1.996 -0.184 -0.364 139 1HB CYS 74 1HB CYS 74 3.505 -1.054 -2.295 140 2HB CYS 74 2HB CYS 74 3.800 -2.485 -1.253 141 H ASP 75 H ASP 75 0.928 -2.408 0.407 142 HA ASP 75 HA ASP 75 2.081 -2.625 3.135 143 1HB ASP 75 2HB ASP 75 -0.847 -2.084 2.420 144 2HB ASP 75 1HB ASP 75 -0.247 -2.519 4.062 145 H LYS 76 H LYS 76 -0.149 -3.844 0.666 146 HA LYS 76 HA LYS 76 -0.572 -5.853 -0.050 147 1HB LYS 76 1HB LYS 76 1.351 -7.107 1.954 148 2HB LYS 76 2HB LYS 76 0.664 -7.886 0.498 149 1HG LYS 76 2HG LYS 76 2.236 -6.931 -0.907 150 2HG LYS 76 1HG LYS 76 2.256 -5.377 -0.016 151 1HD LYS 76 2HD LYS 76 3.480 -6.523 1.894 152 2HD LYS 76 1HD LYS 76 3.611 -7.997 0.869 153 1HE LYS 76 2HE LYS 76 5.711 -6.653 0.829 154 2HE LYS 76 1HE LYS 76 4.950 -6.657 -0.814 155 1HZ LYS 76 3HZ LYS 76 4.006 -4.497 -0.300 156 2HZ LYS 76 1HZ LYS 76 4.740 -4.505 1.231 157 3HZ LYS 76 2HZ LYS 76 5.700 -4.483 -0.171 158 H LEU 77 H LEU 77 -2.140 -4.585 1.977 159 HA LEU 77 HA LEU 77 -2.895 -6.750 3.758 160 1HB LEU 77 2HB LEU 77 -4.347 -4.103 3.171 161 2HB LEU 77 1HB LEU 77 -4.807 -5.310 4.407 162 HG LEU 77 HG LEU 77 -2.812 -3.107 4.469 163 1HD1 LEU 77 1HD1 LEU 77 -4.953 -3.127 5.729 164 2HD1 LEU 77 2HD1 LEU 77 -4.473 -4.656 6.557 165 3HD1 LEU 77 3HD1 LEU 77 -3.561 -3.128 6.883 166 1HD2 LEU 77 3HD2 LEU 77 -2.098 -5.738 5.898 167 2HD2 LEU 77 1HD2 LEU 77 -1.120 -4.842 4.662 168 3HD2 LEU 77 2HD2 LEU 77 -1.415 -4.105 6.265 169 H ARG 78 H ARG 78 -4.903 -7.909 3.470 170 HA ARG 78 HA ARG 78 -5.719 -7.827 0.665 171 1HB ARG 78 2HB ARG 78 -5.935 -9.903 2.841 172 2HB ARG 78 1HB ARG 78 -7.200 -9.850 1.566 173 1HG ARG 78 2HG ARG 78 -5.429 -11.460 0.970 174 2HG ARG 78 1HG ARG 78 -5.581 -10.123 -0.221 175 1HD ARG 78 2HD ARG 78 -3.508 -9.030 0.728 176 2HD ARG 78 1HD ARG 78 -3.385 -10.363 1.948 177 HE ARG 78 HE ARG 78 -2.682 -11.843 0.233 178 1HH1 ARG 78 1HH1 ARG 78 -3.726 -8.711 -1.136 179 2HH1 ARG 78 2HH1 ARG 78 -2.976 -8.977 -2.674 180 1HH2 ARG 78 1HH2 ARG 78 -1.675 -12.181 -1.856 181 2HH2 ARG 78 2HH2 ARG 78 -1.802 -10.970 -3.088 182 HA PRO 79 HA PRO 79 -7.586 -7.914 -0.583 183 1HB PRO 79 1HB PRO 79 -9.515 -6.201 -1.688 184 2HB PRO 79 2HB PRO 79 -9.868 -7.851 -1.029 185 1HG PRO 79 2HG PRO 79 -10.263 -5.150 0.324 186 2HG PRO 79 1HG PRO 79 -11.332 -6.610 0.375 187 1HD PRO 79 2HD PRO 79 -9.514 -5.915 2.401 188 2HD PRO 79 1HD PRO 79 -9.939 -7.648 2.026 189 H HIS 80 H HIS 80 -8.117 -4.451 0.507 190 HA HIS 80 HA HIS 80 -6.003 -3.696 -1.388 191 1HB HIS 80 2HB HIS 80 -7.050 -1.376 -1.236 192 2HB HIS 80 1HB HIS 80 -8.082 -2.622 -2.016 193 HD1 HIS 80 HD1 HIS 80 -7.902 -0.559 1.183 194 HD2 HIS 80 HD2 HIS 80 -10.448 -3.297 -0.712 195 HE1 HIS 80 HE1 HIS 80 -10.137 -0.548 2.417 196 H CYS 81 H CYS 81 -4.696 -1.750 -0.641 197 HA CYS 81 HA CYS 81 -3.542 -2.437 1.803 198 1HB CYS 81 2HB CYS 81 -3.118 0.205 0.338 199 2HB CYS 81 1HB CYS 81 -1.932 -0.703 1.298 200 H GLN 82 H GLN 82 -2.769 -0.580 3.243 201 HA GLN 82 HA GLN 82 -4.951 0.758 4.449 202 1HB GLN 82 2HB GLN 82 -1.923 1.135 4.767 203 2HB GLN 82 1HB GLN 82 -3.158 1.867 5.851 204 1HG GLN 82 2HG GLN 82 -3.857 -0.347 6.666 205 2HG GLN 82 1HG GLN 82 -2.854 -1.171 5.408 206 1HE2 GLN 82 2HE2 GLN 82 -0.059 -1.412 7.407 207 2HE2 GLN 82 1HE2 GLN 82 -1.141 -2.084 6.226 208 H GLN 83 H GLN 83 -2.727 1.538 1.876 209 HA GLN 83 HA GLN 83 -2.909 4.350 2.058 210 1HB GLN 83 2HB GLN 83 -1.046 3.168 0.864 211 2HB GLN 83 1HB GLN 83 -2.219 2.494 -0.304 212 1HG GLN 83 2HG GLN 83 -0.981 4.395 -1.285 213 2HG GLN 83 1HG GLN 83 -2.720 4.834 -1.148 214 1HE2 GLN 83 2HE2 GLN 83 0.143 6.504 1.437 215 2HE2 GLN 83 1HE2 GLN 83 0.409 4.959 0.704 216 H CYS 84 H CYS 84 -4.293 1.928 -0.353 217 HA CYS 84 HA CYS 84 -6.106 3.518 -1.356 218 1HB CYS 84 1HB CYS 84 -5.899 0.582 -1.257 219 2HB CYS 84 2HB CYS 84 -6.702 1.518 -2.539 220 H THR 85 H THR 85 -6.430 1.954 1.753 221 HA THR 85 HA THR 85 -9.258 1.771 1.677 222 HB THR 85 HB THR 85 -7.364 2.276 4.053 223 HG1 THR 85 HG1 THR 85 -7.146 0.289 2.971 224 1HG2 THR 85 3HG2 THR 85 -10.373 1.539 3.940 225 2HG2 THR 85 1HG2 THR 85 -9.339 1.348 5.401 226 3HG2 THR 85 2HG2 THR 85 -9.647 2.983 4.753 227 H LYS 86 H LYS 86 -6.856 4.239 2.810 228 HA LYS 86 HA LYS 86 -8.912 5.955 3.644 229 1HB LYS 86 1HB LYS 86 -6.001 6.369 3.420 230 2HB LYS 86 2HB LYS 86 -7.119 7.444 4.309 231 1HG LYS 86 2HG LYS 86 -6.479 4.501 5.002 232 2HG LYS 86 1HG LYS 86 -5.849 5.952 5.845 233 1HD LYS 86 2HD LYS 86 -8.168 6.560 6.554 234 2HD LYS 86 1HD LYS 86 -8.823 5.134 5.670 235 1HE LYS 86 2HE LYS 86 -8.654 4.623 8.084 236 2HE LYS 86 1HE LYS 86 -7.491 3.595 7.148 237 1HZ LYS 86 1HZ LYS 86 -5.756 5.175 7.719 238 2HZ LYS 86 2HZ LYS 86 -6.854 6.092 8.634 239 3HZ LYS 86 3HZ LYS 86 -6.483 4.501 9.100 240 H THR 87 H THR 87 -7.140 5.499 0.680 241 HA THR 87 HA THR 87 -7.665 8.146 -0.280 242 HB THR 87 HB THR 87 -6.850 5.583 -1.737 243 HG1 THR 87 HG1 THR 87 -5.333 6.338 -0.294 244 1HG2 THR 87 3HG2 THR 87 -6.979 8.544 -2.647 245 2HG2 THR 87 1HG2 THR 87 -6.137 7.223 -3.543 246 3HG2 THR 87 2HG2 THR 87 -7.914 7.153 -3.334 247 H GLY 88 H GLY 88 -8.885 4.771 -0.904 248 1HA GLY 88 1HA GLY 88 -11.091 4.239 -1.156 249 2HA GLY 88 2HA GLY 88 -11.468 5.953 -1.612 250 H VAL 89 H VAL 89 -8.627 4.233 -2.652 251 HA VAL 89 HA VAL 89 -9.656 3.935 -5.362 252 HB VAL 89 HB VAL 89 -8.030 5.578 -4.631 253 1HG1 VAL 89 1HG1 VAL 89 -6.553 3.760 -3.273 254 2HG1 VAL 89 2HG1 VAL 89 -6.102 3.211 -4.937 255 3HG1 VAL 89 3HG1 VAL 89 -5.536 4.827 -4.312 256 1HG2 VAL 89 3HG2 VAL 89 -8.162 5.734 -6.826 257 2HG2 VAL 89 1HG2 VAL 89 -6.649 6.273 -6.054 258 3HG2 VAL 89 2HG2 VAL 89 -6.619 4.745 -6.946 259 H ALA 90 H ALA 90 -10.252 2.202 -3.184 260 HA ALA 90 HA ALA 90 -8.309 0.168 -2.888 261 1HB ALA 90 3HB ALA 90 -11.366 0.079 -2.598 262 2HB ALA 90 2HB ALA 90 -10.250 -1.284 -2.214 263 3HB ALA 90 1HB ALA 90 -10.163 0.257 -1.246 264 H HIS 91 H HIS 91 -10.974 0.840 -5.076 265 HA HIS 91 HA HIS 91 -11.017 -1.573 -6.492 266 1HB HIS 91 2HB HIS 91 -11.805 -0.059 -8.363 267 2HB HIS 91 1HB HIS 91 -12.842 -0.171 -6.860 268 HD1 HIS 91 HD1 HIS 91 -11.125 2.362 -5.504 269 HD2 HIS 91 HD2 HIS 91 -13.155 2.167 -9.166 270 HE1 HIS 91 HE1 HIS 91 -11.676 4.748 -6.245 271 H LEU 92 H LEU 92 -8.971 1.308 -6.525 272 HA LEU 92 HA LEU 92 -7.872 0.562 -9.045 273 1HB LEU 92 1HB LEU 92 -7.120 2.702 -6.983 274 2HB LEU 92 2HB LEU 92 -6.452 2.731 -8.576 275 HG LEU 92 HG LEU 92 -8.832 3.964 -7.488 276 1HD1 LEU 92 3HD1 LEU 92 -6.967 5.025 -8.956 277 2HD1 LEU 92 1HD1 LEU 92 -7.657 4.168 -10.372 278 3HD1 LEU 92 2HD1 LEU 92 -8.649 5.395 -9.495 279 1HD2 LEU 92 1HD2 LEU 92 -9.206 2.378 -10.192 280 2HD2 LEU 92 2HD2 LEU 92 -10.167 2.122 -8.706 281 3HD2 LEU 92 3HD2 LEU 92 -10.321 3.671 -9.606 282 H CYS 93 H CYS 93 -7.610 -0.591 -6.130 283 HA CYS 93 HA CYS 93 -4.677 -0.703 -6.038 284 1HB CYS 93 1HB CYS 93 -5.963 -0.390 -3.904 285 2HB CYS 93 2HB CYS 93 -6.677 -2.020 -4.128 286 H HIS 94 H HIS 94 -3.600 -2.257 -7.163 287 HA HIS 94 HA HIS 94 -4.540 -4.954 -6.788 288 1HB HIS 94 2HB HIS 94 -3.783 -3.910 -9.591 289 2HB HIS 94 1HB HIS 94 -4.079 -5.623 -9.121 290 HD1 HIS 94 HD1 HIS 94 -5.841 -2.373 -9.979 291 HD2 HIS 94 HD2 HIS 94 -6.910 -6.251 -8.784 292 HE1 HIS 94 HE1 HIS 94 -8.359 -2.642 -10.314 293 H TYR 95 H TYR 95 -2.775 -6.276 -6.454 294 HA TYR 95 HA TYR 95 -0.205 -4.920 -6.615 295 1HB TYR 95 1HB TYR 95 -0.600 -7.762 -5.563 296 2HB TYR 95 2HB TYR 95 0.818 -6.646 -5.331 297 HD1 TYR 95 HD1 TYR 95 -2.619 -7.472 -4.489 298 HD2 TYR 95 HD2 TYR 95 0.610 -4.776 -3.523 299 HE1 TYR 95 HE1 TYR 95 -3.868 -6.596 -2.564 300 HE2 TYR 95 HE2 TYR 95 -0.647 -3.922 -1.753 301 HH TYR 95 HH TYR 95 -2.575 -3.944 -0.596 302 H MET 96 H MET 96 1.339 -5.472 -8.074 303 HA MET 96 HA MET 96 0.602 -7.534 -10.016 304 1HB MET 96 1HB MET 96 1.518 -4.806 -10.678 305 2HB MET 96 2HB MET 96 1.385 -6.146 -11.862 306 1HG MET 96 2HG MET 96 -1.094 -6.313 -11.239 307 2HG MET 96 1HG MET 96 -0.909 -4.776 -10.336 308 1HE MET 96 3HE MET 96 -3.036 -5.344 -12.404 309 2HE MET 96 1HE MET 96 -2.848 -3.735 -11.630 310 3HE MET 96 2HE MET 96 -3.066 -3.853 -13.408 311 H GLU 97 H GLU 97 2.469 -8.259 -11.290 312 HA GLU 97 HA GLU 97 4.619 -8.625 -9.507 313 1HB GLU 97 2HB GLU 97 5.593 -10.109 -11.184 314 2HB GLU 97 1HB GLU 97 3.848 -10.466 -10.972 315 1HG GLU 97 2HG GLU 97 3.348 -9.135 -13.082 316 2HG GLU 97 1HG GLU 97 5.128 -8.932 -13.345 317 H GLN 98 H GLN 98 6.897 -8.352 -10.075 318 HA GLN 98 HA GLN 98 7.455 -5.894 -11.466 319 1HB GLN 98 2HB GLN 98 8.829 -6.570 -9.493 320 2HB GLN 98 1HB GLN 98 9.268 -8.107 -10.309 321 1HG GLN 98 2HG GLN 98 10.631 -6.895 -11.976 322 2HG GLN 98 1HG GLN 98 9.974 -5.306 -11.412 323 1HE2 GLN 98 2HE2 GLN 98 12.227 -4.911 -8.772 324 2HE2 GLN 98 1HE2 GLN 98 11.029 -4.245 -9.832 325 H THR 99 H THR 99 7.110 -5.977 -13.632 326 HA THR 99 HA THR 99 7.216 -8.521 -14.919 327 HB THR 99 HB THR 99 5.388 -7.293 -15.655 328 HG1 THR 99 HG1 THR 99 7.501 -6.839 -17.489 329 1HG2 THR 99 2HG2 THR 99 7.266 -4.851 -15.991 330 2HG2 THR 99 3HG2 THR 99 5.536 -4.934 -16.475 331 3HG2 THR 99 1HG2 THR 99 5.976 -5.065 -14.741 332 H TRP 100 H TRP 100 8.732 -9.336 -16.142 333 HA TRP 100 HA TRP 100 11.253 -8.085 -15.776 334 1HB TRP 100 2HB TRP 100 10.675 -10.721 -17.210 335 2HB TRP 100 1HB TRP 100 12.173 -10.257 -16.311 336 HD1 TRP 100 HD1 TRP 100 8.761 -11.931 -15.818 337 HE1 TRP 100 HE1 TRP 100 8.294 -12.311 -13.330 338 HE3 TRP 100 HE3 TRP 100 12.637 -9.277 -13.910 339 HZ2 TRP 100 HZ2 TRP 100 9.519 -11.666 -10.859 340 HZ3 TRP 100 HZ3 TRP 100 12.922 -9.169 -11.476 341 HH2 TRP 100 HH2 TRP 100 11.387 -10.337 -9.975 No H/Q in entry = 341 Start of MODEL 12 1 1H ILE 60 1H ILE 60 9.996 -9.096 -4.698 2 2H ILE 60 2H ILE 60 10.636 -9.208 -3.130 3 3H ILE 60 3H ILE 60 11.349 -10.080 -4.402 4 HA ILE 60 HA ILE 60 9.436 -11.384 -4.659 5 HB ILE 60 HB ILE 60 10.830 -11.333 -2.115 6 1HG1 ILE 60 2HG1 ILE 60 11.473 -13.663 -2.932 7 2HG1 ILE 60 1HG1 ILE 60 10.595 -13.315 -4.454 8 1HG2 ILE 60 1HG2 ILE 60 8.476 -13.246 -2.746 9 2HG2 ILE 60 2HG2 ILE 60 9.726 -13.556 -1.496 10 3HG2 ILE 60 3HG2 ILE 60 8.633 -12.162 -1.298 11 1HD1 ILE 60 1HD1 ILE 60 12.986 -11.676 -3.361 12 2HD1 ILE 60 2HD1 ILE 60 13.108 -12.987 -4.594 13 3HD1 ILE 60 3HD1 ILE 60 12.207 -11.480 -4.980 14 HA PRO 61 HA PRO 61 5.960 -9.603 -2.105 15 1HB PRO 61 1HB PRO 61 7.104 -6.943 -1.187 16 2HB PRO 61 2HB PRO 61 5.939 -8.009 -0.297 17 1HG PRO 61 2HG PRO 61 8.571 -7.883 0.479 18 2HG PRO 61 1HG PRO 61 7.719 -9.485 0.412 19 1HD PRO 61 2HD PRO 61 9.588 -8.264 -1.694 20 2HD PRO 61 1HD PRO 61 9.549 -9.960 -1.026 21 H LEU 62 H LEU 62 4.500 -8.572 -3.507 22 HA LEU 62 HA LEU 62 5.641 -6.929 -5.585 23 1HB LEU 62 2HB LEU 62 2.713 -7.643 -4.992 24 2HB LEU 62 1HB LEU 62 3.291 -6.783 -6.450 25 HG LEU 62 HG LEU 62 3.829 -9.713 -5.711 26 1HD1 LEU 62 2HD1 LEU 62 2.148 -8.294 -7.874 27 2HD1 LEU 62 3HD1 LEU 62 2.456 -10.079 -7.826 28 3HD1 LEU 62 1HD1 LEU 62 1.541 -9.273 -6.493 29 1HD2 LEU 62 3HD2 LEU 62 4.855 -8.074 -8.115 30 2HD2 LEU 62 1HD2 LEU 62 5.854 -8.868 -6.840 31 3HD2 LEU 62 2HD2 LEU 62 4.904 -9.873 -7.993 32 H SER 63 H SER 63 4.501 -4.874 -6.157 33 HA SER 63 HA SER 63 3.399 -3.546 -3.799 34 1HB SER 63 2HB SER 63 5.789 -2.648 -4.356 35 2HB SER 63 1HB SER 63 5.217 -2.373 -6.045 36 HG SER 63 HG SER 63 3.680 -0.927 -5.158 37 H CYS 64 H CYS 64 1.830 -1.870 -4.350 38 HA CYS 64 HA CYS 64 0.252 -2.813 -6.489 39 1HB CYS 64 2HB CYS 64 -0.197 -0.154 -5.022 40 2HB CYS 64 1HB CYS 64 -1.385 -1.290 -5.786 41 H THR 65 H THR 65 -0.731 -1.159 -8.012 42 HA THR 65 HA THR 65 1.350 0.051 -9.501 43 HB THR 65 HB THR 65 -0.180 -0.534 -11.055 44 HG1 THR 65 HG1 THR 65 -0.301 1.733 -11.023 45 1HG2 THR 65 2HG2 THR 65 -2.333 -0.320 -8.834 46 2HG2 THR 65 3HG2 THR 65 -2.631 -0.846 -10.527 47 3HG2 THR 65 1HG2 THR 65 -1.563 -1.834 -9.476 48 H ILE 66 H ILE 66 -1.053 1.056 -7.106 49 HA ILE 66 HA ILE 66 -0.673 3.835 -7.610 50 HB ILE 66 HB ILE 66 -1.503 3.246 -4.942 51 1HG1 ILE 66 2HG1 ILE 66 -2.403 1.124 -5.967 52 2HG1 ILE 66 1HG1 ILE 66 -3.605 2.190 -5.241 53 1HG2 ILE 66 1HG2 ILE 66 -1.546 5.411 -6.136 54 2HG2 ILE 66 2HG2 ILE 66 -2.748 4.774 -7.309 55 3HG2 ILE 66 3HG2 ILE 66 -3.193 4.958 -5.564 56 1HD1 ILE 66 3HD1 ILE 66 -4.245 3.066 -7.529 57 2HD1 ILE 66 1HD1 ILE 66 -3.150 1.833 -8.263 58 3HD1 ILE 66 2HD1 ILE 66 -4.556 1.319 -7.247 59 H CYS 67 H CYS 67 0.635 1.338 -5.394 60 HA CYS 67 HA CYS 67 1.790 3.317 -3.712 61 1HB CYS 67 1HB CYS 67 2.139 0.286 -3.851 62 2HB CYS 67 2HB CYS 67 2.986 1.321 -2.656 63 H ARG 68 H ARG 68 2.699 1.662 -6.642 64 HA ARG 68 HA ARG 68 5.477 2.258 -6.375 65 1HB ARG 68 1HB ARG 68 4.448 0.341 -7.752 66 2HB ARG 68 2HB ARG 68 3.886 1.595 -8.910 67 1HG ARG 68 2HG ARG 68 6.327 2.210 -9.309 68 2HG ARG 68 1HG ARG 68 6.799 0.946 -8.115 69 1HD ARG 68 2HD ARG 68 5.686 -0.805 -9.582 70 2HD ARG 68 1HD ARG 68 5.312 0.505 -10.791 71 HE ARG 68 HE ARG 68 8.149 0.443 -10.029 72 1HH1 ARG 68 1HH1 ARG 68 5.613 -1.067 -12.030 73 2HH1 ARG 68 2HH1 ARG 68 6.713 -1.698 -13.211 74 1HH2 ARG 68 1HH2 ARG 68 9.639 -0.420 -11.637 75 2HH2 ARG 68 2HH2 ARG 68 9.032 -1.326 -12.984 76 H LYS 69 H LYS 69 2.504 3.911 -7.406 77 HA LYS 69 HA LYS 69 3.796 5.719 -9.143 78 1HB LYS 69 2HB LYS 69 1.358 5.162 -9.312 79 2HB LYS 69 1HB LYS 69 1.081 6.000 -7.749 80 1HG LYS 69 2HG LYS 69 1.821 8.165 -8.761 81 2HG LYS 69 1HG LYS 69 2.207 7.309 -10.297 82 1HD LYS 69 2HD LYS 69 -0.206 6.708 -10.556 83 2HD LYS 69 1HD LYS 69 -0.574 7.479 -8.970 84 1HE LYS 69 2HE LYS 69 -1.190 9.003 -10.847 85 2HE LYS 69 1HE LYS 69 0.179 9.712 -9.896 86 1HZ LYS 69 2HZ LYS 69 1.693 8.850 -11.557 87 2HZ LYS 69 3HZ LYS 69 0.401 8.205 -12.451 88 3HZ LYS 69 1HZ LYS 69 0.538 9.886 -12.247 89 H ARG 70 H ARG 70 2.562 5.909 -5.678 90 HA ARG 70 HA ARG 70 3.558 8.542 -5.495 91 1HB ARG 70 2HB ARG 70 3.134 6.888 -3.015 92 2HB ARG 70 1HB ARG 70 2.756 8.613 -3.301 93 1HG ARG 70 2HG ARG 70 1.181 6.130 -4.213 94 2HG ARG 70 1HG ARG 70 0.735 7.295 -2.964 95 1HD ARG 70 2HD ARG 70 0.542 9.106 -4.778 96 2HD ARG 70 1HD ARG 70 0.744 7.793 -6.011 97 HE ARG 70 HE ARG 70 -1.288 7.012 -4.141 98 1HH1 ARG 70 1HH1 ARG 70 -0.596 9.482 -6.620 99 2HH1 ARG 70 2HH1 ARG 70 -2.258 9.778 -7.002 100 1HH2 ARG 70 1HH2 ARG 70 -3.550 7.422 -4.666 101 2HH2 ARG 70 2HH2 ARG 70 -3.961 8.592 -5.877 102 H LYS 71 H LYS 71 4.709 5.270 -4.810 103 HA LYS 71 HA LYS 71 6.560 4.410 -4.243 104 1HB LYS 71 1HB LYS 71 7.842 6.124 -5.590 105 2HB LYS 71 2HB LYS 71 8.047 7.065 -4.071 106 1HG LYS 71 2HG LYS 71 8.748 4.271 -3.540 107 2HG LYS 71 1HG LYS 71 9.528 4.764 -5.062 108 1HD LYS 71 2HD LYS 71 10.524 6.767 -3.878 109 2HD LYS 71 1HD LYS 71 9.683 6.259 -2.366 110 1HE LYS 71 2HE LYS 71 11.006 4.124 -2.335 111 2HE LYS 71 1HE LYS 71 11.868 4.642 -3.845 112 1HZ LYS 71 2HZ LYS 71 11.857 6.087 -1.245 113 2HZ LYS 71 3HZ LYS 71 13.119 5.137 -1.870 114 3HZ LYS 71 1HZ LYS 71 12.665 6.569 -2.659 115 H VAL 72 H VAL 72 5.288 3.848 -2.506 116 HA VAL 72 HA VAL 72 6.174 4.876 0.029 117 HB VAL 72 HB VAL 72 3.731 4.278 0.699 118 1HG1 VAL 72 3HG1 VAL 72 4.742 6.573 0.867 119 2HG1 VAL 72 1HG1 VAL 72 4.260 6.909 -0.840 120 3HG1 VAL 72 2HG1 VAL 72 2.996 6.643 0.417 121 1HG2 VAL 72 1HG2 VAL 72 3.253 4.881 -2.297 122 2HG2 VAL 72 2HG2 VAL 72 2.946 3.326 -1.435 123 3HG2 VAL 72 3HG2 VAL 72 1.995 4.791 -1.036 124 H LYS 73 H LYS 73 5.556 3.046 1.630 125 HA LYS 73 HA LYS 73 6.293 0.583 0.345 126 1HB LYS 73 2HB LYS 73 5.851 1.447 3.226 127 2HB LYS 73 1HB LYS 73 5.724 -0.294 2.797 128 1HG LYS 73 2HG LYS 73 7.966 0.190 3.612 129 2HG LYS 73 1HG LYS 73 7.999 -0.337 1.893 130 1HD LYS 73 2HD LYS 73 8.277 2.026 1.150 131 2HD LYS 73 1HD LYS 73 8.239 2.580 2.865 132 1HE LYS 73 2HE LYS 73 10.352 0.692 1.606 133 2HE LYS 73 1HE LYS 73 10.580 2.449 1.981 134 1HZ LYS 73 2HZ LYS 73 10.188 1.948 4.298 135 2HZ LYS 73 3HZ LYS 73 9.987 0.299 3.944 136 3HZ LYS 73 1HZ LYS 73 11.489 1.047 3.681 137 H CYS 74 H CYS 74 4.960 -0.756 -0.545 138 HA CYS 74 HA CYS 74 2.199 -0.701 -0.275 139 1HB CYS 74 1HB CYS 74 3.651 -1.574 -2.187 140 2HB CYS 74 2HB CYS 74 4.004 -3.016 -1.178 141 H ASP 75 H ASP 75 0.892 -2.798 0.440 142 HA ASP 75 HA ASP 75 1.998 -3.230 3.159 143 1HB ASP 75 1HB ASP 75 -0.888 -2.504 2.437 144 2HB ASP 75 2HB ASP 75 -0.345 -3.106 4.043 145 H LYS 76 H LYS 76 -0.476 -4.317 0.800 146 HA LYS 76 HA LYS 76 -1.606 -6.135 0.586 147 1HB LYS 76 2HB LYS 76 0.908 -7.553 1.587 148 2HB LYS 76 1HB LYS 76 -0.550 -8.396 0.966 149 1HG LYS 76 2HG LYS 76 -0.301 -7.522 -1.226 150 2HG LYS 76 1HG LYS 76 0.899 -6.278 -0.720 151 1HD LYS 76 2HD LYS 76 2.570 -7.885 -0.219 152 2HD LYS 76 1HD LYS 76 1.433 -9.276 -0.394 153 1HE LYS 76 2HE LYS 76 2.269 -7.408 -2.708 154 2HE LYS 76 1HE LYS 76 2.969 -9.052 -2.392 155 1HZ LYS 76 3HZ LYS 76 0.758 -9.966 -2.648 156 2HZ LYS 76 1HZ LYS 76 0.124 -8.424 -2.972 157 3HZ LYS 76 2HZ LYS 76 1.250 -9.119 -4.036 158 H LEU 77 H LEU 77 -2.801 -5.001 2.412 159 HA LEU 77 HA LEU 77 -2.812 -6.545 4.855 160 1HB LEU 77 2HB LEU 77 -4.876 -4.546 3.770 161 2HB LEU 77 1HB LEU 77 -4.857 -5.246 5.425 162 HG LEU 77 HG LEU 77 -2.812 -3.308 4.199 163 1HD1 LEU 77 2HD1 LEU 77 -5.084 -2.407 4.659 164 2HD1 LEU 77 3HD1 LEU 77 -4.972 -2.960 6.372 165 3HD1 LEU 77 1HD1 LEU 77 -3.843 -1.689 5.764 166 1HD2 LEU 77 3HD2 LEU 77 -2.926 -4.464 7.063 167 2HD2 LEU 77 1HD2 LEU 77 -1.636 -4.772 5.837 168 3HD2 LEU 77 2HD2 LEU 77 -1.860 -3.119 6.509 169 H ARG 78 H ARG 78 -4.608 -5.946 1.893 170 HA ARG 78 HA ARG 78 -5.365 -7.409 0.474 171 1HB ARG 78 2HB ARG 78 -4.422 -9.403 1.887 172 2HB ARG 78 1HB ARG 78 -6.086 -9.514 2.541 173 1HG ARG 78 2HG ARG 78 -5.853 -11.127 0.774 174 2HG ARG 78 1HG ARG 78 -6.955 -9.844 0.182 175 1HD ARG 78 2HD ARG 78 -5.320 -10.614 -1.573 176 2HD ARG 78 1HD ARG 78 -5.034 -8.865 -1.175 177 HE ARG 78 HE ARG 78 -3.388 -10.373 0.577 178 1HH1 ARG 78 1HH1 ARG 78 -3.815 -9.853 -2.926 179 2HH1 ARG 78 2HH1 ARG 78 -2.142 -10.082 -3.311 180 1HH2 ARG 78 1HH2 ARG 78 -1.123 -10.684 0.045 181 2HH2 ARG 78 2HH2 ARG 78 -0.590 -10.559 -1.598 182 HA PRO 79 HA PRO 79 -7.056 -7.734 -1.006 183 1HB PRO 79 2HB PRO 79 -9.351 -5.820 -1.543 184 2HB PRO 79 1HB PRO 79 -9.008 -7.399 -2.361 185 1HG PRO 79 2HG PRO 79 -11.031 -7.203 -0.514 186 2HG PRO 79 1HG PRO 79 -9.921 -8.642 -0.501 187 1HD PRO 79 2HD PRO 79 -9.772 -6.135 1.268 188 2HD PRO 79 1HD PRO 79 -9.603 -7.891 1.739 189 H HIS 80 H HIS 80 -8.098 -4.599 0.453 190 HA HIS 80 HA HIS 80 -6.211 -3.238 -1.302 191 1HB HIS 80 2HB HIS 80 -7.500 -1.165 -0.208 192 2HB HIS 80 1HB HIS 80 -8.223 -2.094 -1.570 193 HD1 HIS 80 HD1 HIS 80 -8.629 -1.843 2.248 194 HD2 HIS 80 HD2 HIS 80 -10.562 -3.425 -1.122 195 HE1 HIS 80 HE1 HIS 80 -10.932 -2.681 2.972 196 H CYS 81 H CYS 81 -4.643 -1.872 -0.491 197 HA CYS 81 HA CYS 81 -3.575 -2.519 2.010 198 1HB CYS 81 2HB CYS 81 -3.045 -0.045 0.273 199 2HB CYS 81 1HB CYS 81 -1.900 -0.786 1.432 200 H GLN 82 H GLN 82 -2.638 -0.498 3.213 201 HA GLN 82 HA GLN 82 -4.864 0.904 4.375 202 1HB GLN 82 2HB GLN 82 -2.364 0.055 5.283 203 2HB GLN 82 1HB GLN 82 -2.265 1.850 5.187 204 1HG GLN 82 2HG GLN 82 -4.169 2.130 6.700 205 2HG GLN 82 1HG GLN 82 -4.584 0.373 6.587 206 1HE2 GLN 82 2HE2 GLN 82 -1.882 -0.820 8.633 207 2HE2 GLN 82 1HE2 GLN 82 -2.874 -1.216 7.268 208 H GLN 83 H GLN 83 -2.625 1.365 1.819 209 HA GLN 83 HA GLN 83 -2.551 4.186 1.891 210 1HB GLN 83 2HB GLN 83 -0.885 2.502 0.896 211 2HB GLN 83 1HB GLN 83 -1.969 2.427 -0.529 212 1HG GLN 83 2HG GLN 83 -0.255 4.031 -1.064 213 2HG GLN 83 1HG GLN 83 -1.709 5.028 -0.679 214 1HE2 GLN 83 2HE2 GLN 83 1.436 4.693 2.120 215 2HE2 GLN 83 1HE2 GLN 83 1.020 3.353 1.104 216 H CYS 84 H CYS 84 -4.083 1.648 -0.333 217 HA CYS 84 HA CYS 84 -5.595 3.285 -1.670 218 1HB CYS 84 2HB CYS 84 -5.759 0.276 -1.107 219 2HB CYS 84 1HB CYS 84 -6.422 1.103 -2.554 220 H THR 85 H THR 85 -6.453 1.821 1.504 221 HA THR 85 HA THR 85 -9.232 2.206 0.987 222 HB THR 85 HB THR 85 -8.041 2.291 3.778 223 HG1 THR 85 HG1 THR 85 -7.225 0.497 2.756 224 1HG2 THR 85 3HG2 THR 85 -10.707 1.253 2.565 225 2HG2 THR 85 1HG2 THR 85 -10.236 1.175 4.305 226 3HG2 THR 85 2HG2 THR 85 -10.535 2.769 3.531 227 H LYS 86 H LYS 86 -6.526 4.129 2.276 228 HA LYS 86 HA LYS 86 -8.074 6.148 3.392 229 1HB LYS 86 2HB LYS 86 -5.725 5.531 3.989 230 2HB LYS 86 1HB LYS 86 -5.282 6.480 2.530 231 1HG LYS 86 2HG LYS 86 -6.335 8.521 3.497 232 2HG LYS 86 1HG LYS 86 -6.911 7.570 4.910 233 1HD LYS 86 2HD LYS 86 -3.952 8.050 4.169 234 2HD LYS 86 1HD LYS 86 -4.904 9.011 5.356 235 1HE LYS 86 2HE LYS 86 -5.264 6.937 6.750 236 2HE LYS 86 1HE LYS 86 -4.202 6.010 5.610 237 1HZ LYS 86 2HZ LYS 86 -2.436 7.579 6.092 238 2HZ LYS 86 3HZ LYS 86 -3.435 8.412 7.184 239 3HZ LYS 86 1HZ LYS 86 -2.992 6.804 7.498 240 H THR 87 H THR 87 -6.474 5.836 0.132 241 HA THR 87 HA THR 87 -7.316 8.527 -0.419 242 HB THR 87 HB THR 87 -5.123 7.882 -1.182 243 HG1 THR 87 HG1 THR 87 -5.480 8.490 -3.366 244 1HG2 THR 87 1HG2 THR 87 -5.648 5.425 -1.661 245 2HG2 THR 87 2HG2 THR 87 -6.548 5.948 -3.130 246 3HG2 THR 87 3HG2 THR 87 -4.789 6.272 -2.996 247 H GLY 88 H GLY 88 -8.412 5.197 -1.077 248 1HA GLY 88 1HA GLY 88 -10.471 4.628 -1.741 249 2HA GLY 88 2HA GLY 88 -10.803 6.336 -2.253 250 H VAL 89 H VAL 89 -8.582 3.611 -2.914 251 HA VAL 89 HA VAL 89 -9.163 3.675 -5.694 252 HB VAL 89 HB VAL 89 -7.307 5.226 -5.069 253 1HG1 VAL 89 2HG1 VAL 89 -6.134 3.285 -3.531 254 2HG1 VAL 89 3HG1 VAL 89 -5.778 2.563 -5.159 255 3HG1 VAL 89 1HG1 VAL 89 -4.968 4.105 -4.626 256 1HG2 VAL 89 2HG2 VAL 89 -7.385 5.161 -7.266 257 2HG2 VAL 89 3HG2 VAL 89 -5.749 5.377 -6.592 258 3HG2 VAL 89 1HG2 VAL 89 -6.154 3.807 -7.295 259 H ALA 90 H ALA 90 -9.957 2.366 -3.298 260 HA ALA 90 HA ALA 90 -8.250 0.129 -2.784 261 1HB ALA 90 2HB ALA 90 -11.258 0.484 -2.297 262 2HB ALA 90 3HB ALA 90 -10.272 -0.933 -1.774 263 3HB ALA 90 1HB ALA 90 -9.940 0.712 -1.062 264 H HIS 91 H HIS 91 -10.981 0.977 -4.808 265 HA HIS 91 HA HIS 91 -11.500 -1.506 -5.985 266 1HB HIS 91 2HB HIS 91 -12.230 -0.034 -7.909 267 2HB HIS 91 1HB HIS 91 -13.127 0.128 -6.320 268 HD1 HIS 91 HD1 HIS 91 -10.970 2.495 -5.344 269 HD2 HIS 91 HD2 HIS 91 -13.310 2.271 -8.813 270 HE1 HIS 91 HE1 HIS 91 -11.251 4.860 -6.283 271 H LEU 92 H LEU 92 -9.061 1.027 -6.440 272 HA LEU 92 HA LEU 92 -8.417 -0.055 -9.001 273 1HB LEU 92 1HB LEU 92 -7.110 2.054 -7.219 274 2HB LEU 92 2HB LEU 92 -6.616 1.881 -8.868 275 HG LEU 92 HG LEU 92 -8.621 3.590 -7.674 276 1HD1 LEU 92 1HD1 LEU 92 -6.785 4.227 -9.347 277 2HD1 LEU 92 2HD1 LEU 92 -7.723 3.409 -10.644 278 3HD1 LEU 92 3HD1 LEU 92 -8.433 4.828 -9.777 279 1HD2 LEU 92 1HD2 LEU 92 -9.535 1.917 -10.188 280 2HD2 LEU 92 2HD2 LEU 92 -10.344 1.884 -8.591 281 3HD2 LEU 92 3HD2 LEU 92 -10.379 3.389 -9.575 282 H CYS 93 H CYS 93 -7.940 -0.938 -6.002 283 HA CYS 93 HA CYS 93 -5.068 -1.125 -6.005 284 1HB CYS 93 1HB CYS 93 -6.193 -0.933 -3.846 285 2HB CYS 93 2HB CYS 93 -7.067 -2.482 -4.136 286 H HIS 94 H HIS 94 -3.923 -2.449 -7.160 287 HA HIS 94 HA HIS 94 -4.619 -5.265 -7.046 288 1HB HIS 94 2HB HIS 94 -3.701 -3.867 -9.638 289 2HB HIS 94 1HB HIS 94 -3.964 -5.637 -9.418 290 HD1 HIS 94 HD1 HIS 94 -6.658 -6.227 -8.852 291 HD2 HIS 94 HD2 HIS 94 -5.880 -2.465 -10.537 292 HE1 HIS 94 HE1 HIS 94 -8.860 -5.287 -9.752 293 H TYR 95 H TYR 95 -2.705 -6.479 -6.806 294 HA TYR 95 HA TYR 95 -0.305 -4.838 -6.609 295 1HB TYR 95 1HB TYR 95 -0.489 -7.815 -5.919 296 2HB TYR 95 2HB TYR 95 0.860 -6.631 -5.587 297 HD1 TYR 95 HD1 TYR 95 0.531 -4.880 -3.682 298 HD2 TYR 95 HD2 TYR 95 -2.507 -7.768 -4.712 299 HE1 TYR 95 HE1 TYR 95 -0.795 -4.059 -2.048 300 HE2 TYR 95 HE2 TYR 95 -3.805 -7.012 -2.764 301 HH TYR 95 HH TYR 95 -3.975 -5.584 -1.115 302 H MET 96 H MET 96 1.225 -4.927 -8.092 303 HA MET 96 HA MET 96 0.687 -6.626 -10.428 304 1HB MET 96 1HB MET 96 1.553 -3.807 -10.355 305 2HB MET 96 2HB MET 96 1.640 -4.819 -11.834 306 1HG MET 96 2HG MET 96 -0.860 -5.252 -11.576 307 2HG MET 96 1HG MET 96 -0.896 -3.984 -10.309 308 1HE MET 96 1HE MET 96 -2.792 -2.958 -11.639 309 2HE MET 96 2HE MET 96 -2.731 -2.431 -13.356 310 3HE MET 96 3HE MET 96 -2.643 -4.180 -12.947 311 H GLU 97 H GLU 97 2.591 -7.059 -11.777 312 HA GLU 97 HA GLU 97 4.917 -7.500 -10.203 313 1HB GLU 97 1HB GLU 97 5.955 -8.388 -12.246 314 2HB GLU 97 2HB GLU 97 4.324 -9.101 -11.992 315 1HG GLU 97 2HG GLU 97 3.397 -7.425 -13.693 316 2HG GLU 97 1HG GLU 97 5.107 -6.962 -14.080 317 H GLN 98 H GLN 98 6.889 -6.392 -10.313 318 HA GLN 98 HA GLN 98 6.531 -3.675 -11.261 319 1HB GLN 98 2HB GLN 98 8.660 -4.912 -9.444 320 2HB GLN 98 1HB GLN 98 8.570 -3.174 -9.916 321 1HG GLN 98 2HG GLN 98 6.300 -3.009 -8.831 322 2HG GLN 98 1HG GLN 98 6.401 -4.745 -8.345 323 1HE2 GLN 98 2HE2 GLN 98 8.892 -1.878 -6.568 324 2HE2 GLN 98 1HE2 GLN 98 8.250 -1.621 -8.156 325 H THR 99 H THR 99 6.661 -4.288 -13.497 326 HA THR 99 HA THR 99 9.368 -4.868 -14.428 327 HB THR 99 HB THR 99 6.736 -6.019 -15.517 328 HG1 THR 99 HG1 THR 99 7.273 -6.921 -13.543 329 1HG2 THR 99 3HG2 THR 99 9.703 -6.651 -16.161 330 2HG2 THR 99 1HG2 THR 99 8.271 -7.561 -16.780 331 3HG2 THR 99 2HG2 THR 99 8.526 -5.857 -17.282 332 H TRP 100 H TRP 100 6.237 -3.320 -14.481 333 HA TRP 100 HA TRP 100 6.295 -2.605 -17.173 334 1HB TRP 100 2HB TRP 100 4.682 -1.209 -14.984 335 2HB TRP 100 1HB TRP 100 4.275 -1.333 -16.736 336 HD1 TRP 100 HD1 TRP 100 3.233 -2.792 -13.537 337 HE1 TRP 100 HE1 TRP 100 2.206 -5.125 -13.811 338 HE3 TRP 100 HE3 TRP 100 4.723 -3.733 -18.301 339 HZ2 TRP 100 HZ2 TRP 100 1.977 -7.068 -15.843 340 HZ3 TRP 100 HZ3 TRP 100 4.097 -5.860 -19.341 341 HH2 TRP 100 HH2 TRP 100 2.747 -7.504 -18.134 No H/Q in entry = 341 Start of MODEL 13 1 1H ILE 60 2H ILE 60 11.496 -9.274 -7.118 2 2H ILE 60 3H ILE 60 10.213 -9.402 -8.224 3 3H ILE 60 1H ILE 60 11.713 -8.786 -8.731 4 HA ILE 60 HA ILE 60 11.489 -6.941 -7.316 5 HB ILE 60 HB ILE 60 9.914 -7.638 -9.587 6 1HG1 ILE 60 2HG1 ILE 60 10.451 -5.280 -10.282 7 2HG1 ILE 60 1HG1 ILE 60 11.140 -4.982 -8.652 8 1HG2 ILE 60 2HG2 ILE 60 7.846 -6.990 -8.316 9 2HG2 ILE 60 3HG2 ILE 60 8.614 -5.397 -7.896 10 3HG2 ILE 60 1HG2 ILE 60 8.234 -5.808 -9.596 11 1HD1 ILE 60 3HD1 ILE 60 12.135 -7.124 -10.656 12 2HD1 ILE 60 1HD1 ILE 60 12.896 -5.511 -10.383 13 3HD1 ILE 60 2HD1 ILE 60 12.892 -6.734 -9.063 14 HA PRO 61 HA PRO 61 8.715 -7.753 -3.935 15 1HB PRO 61 2HB PRO 61 8.409 -5.218 -2.801 16 2HB PRO 61 1HB PRO 61 9.943 -6.172 -2.656 17 1HG PRO 61 2HG PRO 61 9.294 -3.934 -4.641 18 2HG PRO 61 1HG PRO 61 10.809 -4.181 -3.676 19 1HD PRO 61 2HD PRO 61 10.561 -4.988 -6.329 20 2HD PRO 61 1HD PRO 61 11.534 -5.959 -5.127 21 H LEU 62 H LEU 62 6.433 -7.910 -3.745 22 HA LEU 62 HA LEU 62 4.841 -6.923 -5.764 23 1HB LEU 62 2HB LEU 62 4.474 -8.168 -3.019 24 2HB LEU 62 1HB LEU 62 3.041 -7.441 -3.820 25 HG LEU 62 HG LEU 62 3.502 -9.936 -4.057 26 1HD1 LEU 62 2HD1 LEU 62 2.838 -8.148 -6.475 27 2HD1 LEU 62 3HD1 LEU 62 2.503 -9.926 -6.420 28 3HD1 LEU 62 1HD1 LEU 62 1.700 -8.814 -5.248 29 1HD2 LEU 62 3HD2 LEU 62 5.870 -9.932 -4.777 30 2HD2 LEU 62 1HD2 LEU 62 4.803 -10.770 -5.963 31 3HD2 LEU 62 2HD2 LEU 62 5.410 -9.118 -6.324 32 H SER 63 H SER 63 3.557 -5.273 -5.993 33 HA SER 63 HA SER 63 3.137 -3.434 -3.865 34 1HB SER 63 1HB SER 63 4.268 -1.471 -5.043 35 2HB SER 63 2HB SER 63 5.467 -2.701 -4.490 36 HG SER 63 HG SER 63 5.762 -2.051 -6.643 37 H CYS 64 H CYS 64 1.783 -1.613 -4.529 38 HA CYS 64 HA CYS 64 -0.018 -2.537 -6.552 39 1HB CYS 64 1HB CYS 64 -0.060 -0.142 -4.694 40 2HB CYS 64 2HB CYS 64 -1.346 -0.360 -5.950 41 H THR 65 H THR 65 -1.012 -0.698 -7.952 42 HA THR 65 HA THR 65 1.115 0.029 -9.683 43 HB THR 65 HB THR 65 -0.630 0.704 -11.236 44 HG1 THR 65 HG1 THR 65 -1.979 1.655 -9.694 45 1HG2 THR 65 1HG2 THR 65 -0.112 -1.802 -10.805 46 2HG2 THR 65 2HG2 THR 65 -1.522 -1.854 -9.703 47 3HG2 THR 65 3HG2 THR 65 -1.771 -1.482 -11.441 48 H ILE 66 H ILE 66 -0.754 1.548 -7.136 49 HA ILE 66 HA ILE 66 0.091 4.194 -8.026 50 HB ILE 66 HB ILE 66 -0.917 4.193 -5.381 51 1HG1 ILE 66 2HG1 ILE 66 -3.019 3.112 -7.341 52 2HG1 ILE 66 1HG1 ILE 66 -2.163 2.089 -6.127 53 1HG2 ILE 66 3HG2 ILE 66 -0.600 6.069 -6.939 54 2HG2 ILE 66 1HG2 ILE 66 -1.880 5.420 -8.035 55 3HG2 ILE 66 2HG2 ILE 66 -2.312 6.001 -6.377 56 1HD1 ILE 66 1HD1 ILE 66 -2.898 3.572 -4.274 57 2HD1 ILE 66 2HD1 ILE 66 -3.846 4.563 -5.443 58 3HD1 ILE 66 3HD1 ILE 66 -4.277 2.829 -5.162 59 H CYS 67 H CYS 67 0.621 1.651 -5.602 60 HA CYS 67 HA CYS 67 1.933 3.379 -3.830 61 1HB CYS 67 1HB CYS 67 2.103 0.337 -4.001 62 2HB CYS 67 2HB CYS 67 2.870 1.329 -2.722 63 H ARG 68 H ARG 68 3.084 1.354 -6.576 64 HA ARG 68 HA ARG 68 5.794 2.060 -5.986 65 1HB ARG 68 2HB ARG 68 4.924 -0.105 -7.172 66 2HB ARG 68 1HB ARG 68 4.862 0.922 -8.644 67 1HG ARG 68 2HG ARG 68 7.340 1.410 -8.346 68 2HG ARG 68 1HG ARG 68 7.327 0.425 -6.843 69 1HD ARG 68 2HD ARG 68 6.721 -1.610 -8.203 70 2HD ARG 68 1HD ARG 68 6.793 -0.598 -9.715 71 HE ARG 68 HE ARG 68 9.227 -0.166 -8.299 72 1HH1 ARG 68 1HH1 ARG 68 7.424 -2.838 -9.822 73 2HH1 ARG 68 2HH1 ARG 68 8.835 -3.760 -10.222 74 1HH2 ARG 68 1HH2 ARG 68 11.142 -1.422 -8.848 75 2HH2 ARG 68 2HH2 ARG 68 10.979 -2.943 -9.661 76 H LYS 69 H LYS 69 3.113 3.633 -7.578 77 HA LYS 69 HA LYS 69 4.629 4.947 -9.571 78 1HB LYS 69 2HB LYS 69 2.155 4.662 -9.746 79 2HB LYS 69 1HB LYS 69 1.936 5.719 -8.313 80 1HG LYS 69 2HG LYS 69 2.849 7.659 -9.579 81 2HG LYS 69 1HG LYS 69 3.202 6.582 -10.980 82 1HD LYS 69 2HD LYS 69 0.765 6.111 -11.229 83 2HD LYS 69 1HD LYS 69 0.416 7.072 -9.748 84 1HE LYS 69 2HE LYS 69 -0.092 8.400 -11.800 85 2HE LYS 69 1HE LYS 69 1.285 9.148 -10.889 86 1HZ LYS 69 1HZ LYS 69 2.800 8.045 -12.394 87 2HZ LYS 69 2HZ LYS 69 1.503 7.373 -13.262 88 3HZ LYS 69 3HZ LYS 69 1.718 9.058 -13.224 89 H ARG 70 H ARG 70 3.269 5.946 -6.314 90 HA ARG 70 HA ARG 70 4.655 8.399 -6.519 91 1HB ARG 70 2HB ARG 70 3.598 7.314 -3.901 92 2HB ARG 70 1HB ARG 70 3.684 9.015 -4.459 93 1HG ARG 70 2HG ARG 70 1.724 6.826 -5.404 94 2HG ARG 70 1HG ARG 70 1.366 8.180 -4.323 95 1HD ARG 70 2HD ARG 70 1.771 9.797 -6.227 96 2HD ARG 70 1HD ARG 70 2.067 8.386 -7.333 97 HE ARG 70 HE ARG 70 -0.429 8.026 -5.940 98 1HH1 ARG 70 1HH1 ARG 70 1.152 10.073 -8.397 99 2HH1 ARG 70 2HH1 ARG 70 -0.308 10.418 -9.258 100 1HH2 ARG 70 1HH2 ARG 70 -2.412 8.505 -7.121 101 2HH2 ARG 70 2HH2 ARG 70 -2.360 9.518 -8.525 102 H LYS 71 H LYS 71 5.236 5.174 -5.196 103 HA LYS 71 HA LYS 71 7.008 4.197 -4.580 104 1HB LYS 71 2HB LYS 71 8.380 5.903 -6.007 105 2HB LYS 71 1HB LYS 71 8.729 6.712 -4.452 106 1HG LYS 71 2HG LYS 71 10.599 5.271 -4.915 107 2HG LYS 71 1HG LYS 71 9.668 4.506 -3.590 108 1HD LYS 71 2HD LYS 71 10.224 2.703 -4.902 109 2HD LYS 71 1HD LYS 71 8.565 3.029 -5.499 110 1HE LYS 71 2HE LYS 71 11.180 3.985 -6.869 111 2HE LYS 71 1HE LYS 71 10.277 2.479 -7.304 112 1HZ LYS 71 2HZ LYS 71 9.192 5.239 -7.440 113 2HZ LYS 71 3HZ LYS 71 9.765 4.318 -8.747 114 3HZ LYS 71 1HZ LYS 71 8.392 3.809 -7.888 115 H VAL 72 H VAL 72 5.217 4.365 -2.935 116 HA VAL 72 HA VAL 72 6.280 5.291 -0.399 117 HB VAL 72 HB VAL 72 3.754 5.164 0.198 118 1HG1 VAL 72 1HG1 VAL 72 5.086 7.282 0.132 119 2HG1 VAL 72 2HG1 VAL 72 4.779 7.430 -1.641 120 3HG1 VAL 72 3HG1 VAL 72 3.409 7.549 -0.476 121 1HG2 VAL 72 3HG2 VAL 72 3.497 5.436 -2.882 122 2HG2 VAL 72 1HG2 VAL 72 2.916 4.063 -1.865 123 3HG2 VAL 72 2HG2 VAL 72 2.198 5.701 -1.691 124 H LYS 73 H LYS 73 5.320 3.698 1.293 125 HA LYS 73 HA LYS 73 6.010 1.136 0.244 126 1HB LYS 73 2HB LYS 73 5.208 2.101 3.023 127 2HB LYS 73 1HB LYS 73 5.429 0.353 2.655 128 1HG LYS 73 2HG LYS 73 7.597 2.449 2.099 129 2HG LYS 73 1HG LYS 73 7.443 1.580 3.673 130 1HD LYS 73 2HD LYS 73 7.733 -0.606 2.508 131 2HD LYS 73 1HD LYS 73 7.849 0.234 0.923 132 1HE LYS 73 2HE LYS 73 10.110 -0.374 1.738 133 2HE LYS 73 1HE LYS 73 9.926 1.430 1.706 134 1HZ LYS 73 1HZ LYS 73 9.443 1.352 4.065 135 2HZ LYS 73 2HZ LYS 73 9.646 -0.333 4.085 136 3HZ LYS 73 3HZ LYS 73 10.960 0.676 3.716 137 H CYS 74 H CYS 74 4.767 -0.143 -0.742 138 HA CYS 74 HA CYS 74 1.967 -0.255 -0.463 139 1HB CYS 74 1HB CYS 74 3.376 -1.136 -2.443 140 2HB CYS 74 2HB CYS 74 3.871 -2.484 -1.367 141 H ASP 75 H ASP 75 0.840 -2.354 0.349 142 HA ASP 75 HA ASP 75 2.086 -2.775 3.010 143 1HB ASP 75 2HB ASP 75 -0.897 -2.502 2.308 144 2HB ASP 75 1HB ASP 75 -0.248 -3.116 3.876 145 H LYS 76 H LYS 76 -0.311 -3.940 0.658 146 HA LYS 76 HA LYS 76 -0.764 -5.867 -0.195 147 1HB LYS 76 1HB LYS 76 1.931 -6.177 -0.041 148 2HB LYS 76 2HB LYS 76 1.433 -7.518 1.031 149 1HG LYS 76 2HG LYS 76 0.625 -7.001 -1.910 150 2HG LYS 76 1HG LYS 76 1.838 -8.184 -1.325 151 1HD LYS 76 2HD LYS 76 0.000 -9.462 -0.160 152 2HD LYS 76 1HD LYS 76 -1.201 -8.287 -0.808 153 1HE LYS 76 2HE LYS 76 -1.182 -10.324 -2.210 154 2HE LYS 76 1HE LYS 76 -0.523 -8.934 -3.165 155 1HZ LYS 76 2HZ LYS 76 1.694 -9.701 -2.635 156 2HZ LYS 76 3HZ LYS 76 1.067 -11.012 -1.758 157 3HZ LYS 76 1HZ LYS 76 0.792 -10.902 -3.430 158 H LEU 77 H LEU 77 -1.895 -4.859 2.124 159 HA LEU 77 HA LEU 77 -2.280 -7.221 3.775 160 1HB LEU 77 2HB LEU 77 -3.133 -5.870 5.488 161 2HB LEU 77 1HB LEU 77 -1.850 -4.846 4.748 162 HG LEU 77 HG LEU 77 -3.911 -3.862 3.349 163 1HD1 LEU 77 3HD1 LEU 77 -5.123 -4.515 6.111 164 2HD1 LEU 77 1HD1 LEU 77 -5.796 -3.399 4.867 165 3HD1 LEU 77 2HD1 LEU 77 -5.736 -5.178 4.535 166 1HD2 LEU 77 1HD2 LEU 77 -3.046 -3.132 6.208 167 2HD2 LEU 77 2HD2 LEU 77 -2.262 -2.604 4.672 168 3HD2 LEU 77 3HD2 LEU 77 -3.936 -2.061 5.065 169 H ARG 78 H ARG 78 -4.370 -8.272 3.776 170 HA ARG 78 HA ARG 78 -5.557 -7.899 1.226 171 1HB ARG 78 1HB ARG 78 -5.996 -9.893 3.505 172 2HB ARG 78 2HB ARG 78 -6.943 -9.922 1.991 173 1HG ARG 78 2HG ARG 78 -3.886 -10.291 2.256 174 2HG ARG 78 1HG ARG 78 -5.096 -11.585 1.958 175 1HD ARG 78 2HD ARG 78 -4.404 -9.273 0.019 176 2HD ARG 78 1HD ARG 78 -3.956 -11.021 -0.167 177 HE ARG 78 HE ARG 78 -6.718 -11.099 0.124 178 1HH1 ARG 78 1HH1 ARG 78 -4.487 -9.272 -1.983 179 2HH1 ARG 78 2HH1 ARG 78 -5.620 -9.119 -3.285 180 1HH2 ARG 78 1HH2 ARG 78 -8.237 -10.881 -1.642 181 2HH2 ARG 78 2HH2 ARG 78 -7.781 -10.045 -3.087 182 HA PRO 79 HA PRO 79 -7.539 -8.065 0.184 183 1HB PRO 79 1HB PRO 79 -9.570 -6.436 -0.827 184 2HB PRO 79 2HB PRO 79 -9.865 -8.021 -0.004 185 1HG PRO 79 2HG PRO 79 -10.087 -5.214 1.168 186 2HG PRO 79 1HG PRO 79 -11.172 -6.642 1.431 187 1HD PRO 79 2HD PRO 79 -9.147 -5.870 3.222 188 2HD PRO 79 1HD PRO 79 -9.641 -7.611 3.000 189 H HIS 80 H HIS 80 -8.052 -4.570 1.139 190 HA HIS 80 HA HIS 80 -6.125 -3.877 -0.953 191 1HB HIS 80 1HB HIS 80 -8.309 -2.114 0.275 192 2HB HIS 80 2HB HIS 80 -7.302 -1.729 -1.170 193 HD1 HIS 80 HD1 HIS 80 -7.737 -3.780 -3.179 194 HD2 HIS 80 HD2 HIS 80 -10.742 -3.148 -0.321 195 HE1 HIS 80 HE1 HIS 80 -9.905 -4.800 -4.067 196 H CYS 81 H CYS 81 -4.835 -1.813 -0.386 197 HA CYS 81 HA CYS 81 -3.592 -2.361 2.045 198 1HB CYS 81 2HB CYS 81 -3.196 0.143 0.366 199 2HB CYS 81 1HB CYS 81 -1.994 -0.682 1.401 200 H GLN 82 H GLN 82 -2.763 -0.458 3.309 201 HA GLN 82 HA GLN 82 -4.891 1.038 4.462 202 1HB GLN 82 2HB GLN 82 -1.915 1.712 4.718 203 2HB GLN 82 1HB GLN 82 -3.259 2.327 5.752 204 1HG GLN 82 2HG GLN 82 -3.771 -0.122 6.367 205 2HG GLN 82 1HG GLN 82 -2.229 -0.549 5.519 206 1HE2 GLN 82 2HE2 GLN 82 -1.443 -0.385 9.098 207 2HE2 GLN 82 1HE2 GLN 82 -2.413 -1.334 8.011 208 H GLN 83 H GLN 83 -2.973 1.611 1.617 209 HA GLN 83 HA GLN 83 -3.245 4.444 1.713 210 1HB GLN 83 2HB GLN 83 -1.373 3.221 0.587 211 2HB GLN 83 1HB GLN 83 -2.511 2.637 -0.663 212 1HG GLN 83 2HG GLN 83 -2.879 4.932 -1.494 213 2HG GLN 83 1HG GLN 83 -2.067 5.633 -0.035 214 1HE2 GLN 83 2HE2 GLN 83 0.157 4.796 -3.263 215 2HE2 GLN 83 1HE2 GLN 83 -1.558 5.049 -3.253 216 H CYS 84 H CYS 84 -4.516 1.986 -0.715 217 HA CYS 84 HA CYS 84 -6.374 3.352 -1.791 218 1HB CYS 84 1HB CYS 84 -6.311 0.441 -1.394 219 2HB CYS 84 2HB CYS 84 -6.858 1.319 -2.837 220 H THR 85 H THR 85 -6.760 1.492 1.250 221 HA THR 85 HA THR 85 -9.608 1.557 1.021 222 HB THR 85 HB THR 85 -7.847 1.046 3.459 223 HG1 THR 85 HG1 THR 85 -7.736 -0.407 1.699 224 1HG2 THR 85 2HG2 THR 85 -10.893 0.695 2.989 225 2HG2 THR 85 3HG2 THR 85 -9.977 -0.092 4.325 226 3HG2 THR 85 1HG2 THR 85 -10.109 1.692 4.278 227 H LYS 86 H LYS 86 -7.060 3.572 2.506 228 HA LYS 86 HA LYS 86 -8.773 5.109 4.061 229 1HB LYS 86 1HB LYS 86 -6.405 4.796 4.530 230 2HB LYS 86 2HB LYS 86 -6.086 5.825 3.096 231 1HG LYS 86 2HG LYS 86 -7.224 7.757 4.248 232 2HG LYS 86 1HG LYS 86 -7.616 6.670 5.630 233 1HD LYS 86 2HD LYS 86 -5.149 6.304 5.998 234 2HD LYS 86 1HD LYS 86 -4.796 7.452 4.657 235 1HE LYS 86 2HE LYS 86 -6.302 8.164 7.269 236 2HE LYS 86 1HE LYS 86 -4.578 8.567 6.886 237 1HZ LYS 86 1HZ LYS 86 -5.350 9.838 5.004 238 2HZ LYS 86 2HZ LYS 86 -6.967 9.466 5.367 239 3HZ LYS 86 3HZ LYS 86 -6.045 10.396 6.449 240 H THR 87 H THR 87 -7.424 5.639 0.677 241 HA THR 87 HA THR 87 -8.619 8.257 0.832 242 HB THR 87 HB THR 87 -6.330 8.115 0.049 243 HG1 THR 87 HG1 THR 87 -8.241 8.852 -1.908 244 1HG2 THR 87 3HG2 THR 87 -6.584 5.827 -1.135 245 2HG2 THR 87 1HG2 THR 87 -7.474 6.697 -2.434 246 3HG2 THR 87 2HG2 THR 87 -5.764 7.107 -2.100 247 H GLY 88 H GLY 88 -9.257 5.026 -0.435 248 1HA GLY 88 1HA GLY 88 -11.307 4.364 -1.032 249 2HA GLY 88 2HA GLY 88 -11.799 6.082 -1.339 250 H VAL 89 H VAL 89 -9.048 4.044 -2.380 251 HA VAL 89 HA VAL 89 -9.910 4.348 -5.110 252 HB VAL 89 HB VAL 89 -8.094 5.870 -4.107 253 1HG1 VAL 89 2HG1 VAL 89 -6.421 4.297 -3.461 254 2HG1 VAL 89 3HG1 VAL 89 -6.219 3.857 -5.200 255 3HG1 VAL 89 1HG1 VAL 89 -5.847 5.527 -4.631 256 1HG2 VAL 89 1HG2 VAL 89 -8.682 5.487 -6.912 257 2HG2 VAL 89 2HG2 VAL 89 -9.269 6.643 -5.694 258 3HG2 VAL 89 3HG2 VAL 89 -7.559 6.734 -6.233 259 H ALA 90 H ALA 90 -10.538 2.224 -3.456 260 HA ALA 90 HA ALA 90 -8.483 0.299 -3.416 261 1HB ALA 90 1HB ALA 90 -11.522 -0.051 -3.124 262 2HB ALA 90 3HB ALA 90 -10.280 -1.318 -2.796 263 3HB ALA 90 2HB ALA 90 -10.337 0.172 -1.775 264 H HIS 91 H HIS 91 -10.688 1.433 -5.842 265 HA HIS 91 HA HIS 91 -10.745 -0.846 -7.494 266 1HB HIS 91 2HB HIS 91 -11.030 0.778 -9.355 267 2HB HIS 91 1HB HIS 91 -12.304 0.882 -8.059 268 HD1 HIS 91 HD1 HIS 91 -11.065 3.076 -6.242 269 HD2 HIS 91 HD2 HIS 91 -10.911 3.155 -10.427 270 HE1 HIS 91 HE1 HIS 91 -10.757 5.506 -6.995 271 H LEU 92 H LEU 92 -8.490 1.802 -6.992 272 HA LEU 92 HA LEU 92 -6.823 0.975 -9.123 273 1HB LEU 92 2HB LEU 92 -5.641 2.458 -6.741 274 2HB LEU 92 1HB LEU 92 -5.156 2.584 -8.458 275 HG LEU 92 HG LEU 92 -7.403 4.026 -6.937 276 1HD1 LEU 92 1HD1 LEU 92 -5.201 5.107 -7.087 277 2HD1 LEU 92 2HD1 LEU 92 -5.197 4.955 -8.888 278 3HD1 LEU 92 3HD1 LEU 92 -6.439 5.985 -8.066 279 1HD2 LEU 92 1HD2 LEU 92 -7.104 3.646 -10.036 280 2HD2 LEU 92 2HD2 LEU 92 -8.496 3.096 -9.039 281 3HD2 LEU 92 3HD2 LEU 92 -8.183 4.860 -9.249 282 H CYS 93 H CYS 93 -7.433 -0.385 -6.360 283 HA CYS 93 HA CYS 93 -4.695 -1.002 -5.576 284 1HB CYS 93 1HB CYS 93 -6.509 -0.712 -3.840 285 2HB CYS 93 2HB CYS 93 -7.213 -2.263 -4.390 286 H HIS 94 H HIS 94 -3.681 -2.278 -7.063 287 HA HIS 94 HA HIS 94 -4.537 -5.014 -6.922 288 1HB HIS 94 2HB HIS 94 -3.741 -3.760 -9.630 289 2HB HIS 94 1HB HIS 94 -4.043 -5.503 -9.286 290 HD1 HIS 94 HD1 HIS 94 -5.818 -2.204 -9.920 291 HD2 HIS 94 HD2 HIS 94 -6.839 -6.202 -9.158 292 HE1 HIS 94 HE1 HIS 94 -8.309 -2.495 -10.407 293 H TYR 95 H TYR 95 -2.692 -6.252 -6.682 294 HA TYR 95 HA TYR 95 -0.206 -4.734 -6.776 295 1HB TYR 95 1HB TYR 95 -0.470 -7.629 -5.804 296 2HB TYR 95 2HB TYR 95 0.866 -6.451 -5.455 297 HD1 TYR 95 HD1 TYR 95 0.394 -4.541 -3.699 298 HD2 TYR 95 HD2 TYR 95 -2.455 -7.632 -4.665 299 HE1 TYR 95 HE1 TYR 95 -0.972 -3.777 -2.032 300 HE2 TYR 95 HE2 TYR 95 -3.786 -6.945 -2.727 301 HH TYR 95 HH TYR 95 -2.865 -4.171 -0.716 302 H MET 96 H MET 96 1.458 -5.410 -8.191 303 HA MET 96 HA MET 96 0.647 -6.467 -10.620 304 1HB MET 96 1HB MET 96 3.375 -6.207 -9.512 305 2HB MET 96 2HB MET 96 3.012 -6.503 -11.242 306 1HG MET 96 2HG MET 96 2.222 -3.985 -9.627 307 2HG MET 96 1HG MET 96 3.616 -4.124 -10.732 308 1HE MET 96 3HE MET 96 2.157 -1.813 -11.103 309 2HE MET 96 1HE MET 96 3.341 -2.403 -12.318 310 3HE MET 96 2HE MET 96 1.752 -1.751 -12.853 311 H GLU 97 H GLU 97 0.157 -8.572 -11.092 312 HA GLU 97 HA GLU 97 0.963 -10.599 -9.278 313 1HB GLU 97 1HB GLU 97 -0.443 -10.761 -12.005 314 2HB GLU 97 2HB GLU 97 -0.120 -12.171 -10.937 315 1HG GLU 97 2HG GLU 97 -1.526 -11.103 -9.124 316 2HG GLU 97 1HG GLU 97 -1.901 -9.738 -10.250 317 H GLN 98 H GLN 98 2.819 -11.662 -9.279 318 HA GLN 98 HA GLN 98 4.239 -11.948 -11.827 319 1HB GLN 98 2HB GLN 98 5.436 -11.746 -9.007 320 2HB GLN 98 1HB GLN 98 6.357 -12.007 -10.534 321 1HG GLN 98 2HG GLN 98 5.574 -9.753 -11.370 322 2HG GLN 98 1HG GLN 98 4.786 -9.464 -9.767 323 1HE2 GLN 98 2HE2 GLN 98 8.756 -8.819 -10.297 324 2HE2 GLN 98 1HE2 GLN 98 7.610 -9.056 -11.575 325 H THR 99 H THR 99 2.105 -13.613 -10.658 326 HA THR 99 HA THR 99 3.561 -15.943 -9.763 327 HB THR 99 HB THR 99 1.480 -15.543 -8.614 328 HG1 THR 99 HG1 THR 99 0.502 -17.512 -9.096 329 1HG2 THR 99 1HG2 THR 99 0.283 -14.235 -10.427 330 2HG2 THR 99 2HG2 THR 99 0.051 -15.763 -11.360 331 3HG2 THR 99 3HG2 THR 99 -0.704 -15.572 -9.746 332 H TRP 100 H TRP 100 2.127 -14.438 -12.592 333 HA TRP 100 HA TRP 100 2.189 -16.813 -14.160 334 1HB TRP 100 1HB TRP 100 2.089 -13.863 -15.010 335 2HB TRP 100 2HB TRP 100 1.744 -15.283 -16.072 336 HD1 TRP 100 HD1 TRP 100 0.025 -12.968 -13.534 337 HE1 TRP 100 HE1 TRP 100 -2.408 -13.726 -13.240 338 HE3 TRP 100 HE3 TRP 100 0.321 -17.401 -15.978 339 HZ2 TRP 100 HZ2 TRP 100 -3.992 -15.957 -13.968 340 HZ3 TRP 100 HZ3 TRP 100 -1.682 -18.808 -16.143 341 HH2 TRP 100 HH2 TRP 100 -3.803 -18.098 -15.159 No H/Q in entry = 341 Start of MODEL 14 1 1H ILE 60 2H ILE 60 10.466 -7.483 -3.749 2 2H ILE 60 3H ILE 60 11.148 -7.527 -2.193 3 3H ILE 60 1H ILE 60 11.929 -8.308 -3.486 4 HA ILE 60 HA ILE 60 10.163 -9.814 -3.705 5 HB ILE 60 HB ILE 60 11.425 -9.712 -1.068 6 1HG1 ILE 60 2HG1 ILE 60 11.984 -11.286 -3.645 7 2HG1 ILE 60 1HG1 ILE 60 12.858 -9.808 -3.122 8 1HG2 ILE 60 2HG2 ILE 60 9.754 -11.975 -2.352 9 2HG2 ILE 60 3HG2 ILE 60 10.853 -12.212 -0.948 10 3HG2 ILE 60 1HG2 ILE 60 9.427 -11.165 -0.766 11 1HD1 ILE 60 2HD1 ILE 60 13.636 -11.009 -1.042 12 2HD1 ILE 60 3HD1 ILE 60 12.876 -12.525 -1.662 13 3HD1 ILE 60 1HD1 ILE 60 14.222 -11.753 -2.575 14 HA PRO 61 HA PRO 61 6.613 -8.542 -0.934 15 1HB PRO 61 2HB PRO 61 7.452 -5.706 -0.186 16 2HB PRO 61 1HB PRO 61 6.439 -6.846 0.791 17 1HG PRO 61 2HG PRO 61 9.062 -6.430 1.459 18 2HG PRO 61 1HG PRO 61 8.388 -8.117 1.458 19 1HD PRO 61 2HD PRO 61 10.066 -6.761 -0.723 20 2HD PRO 61 1HD PRO 61 10.186 -8.448 -0.037 21 H LEU 62 H LEU 62 4.935 -7.877 -2.298 22 HA LEU 62 HA LEU 62 5.668 -6.101 -4.455 23 1HB LEU 62 2HB LEU 62 3.008 -7.502 -3.792 24 2HB LEU 62 1HB LEU 62 3.264 -6.420 -5.198 25 HG LEU 62 HG LEU 62 4.520 -9.174 -4.739 26 1HD1 LEU 62 2HD1 LEU 62 2.164 -9.113 -5.550 27 2HD1 LEU 62 3HD1 LEU 62 2.630 -7.965 -6.860 28 3HD1 LEU 62 1HD1 LEU 62 3.263 -9.661 -6.877 29 1HD2 LEU 62 1HD2 LEU 62 5.143 -7.110 -6.947 30 2HD2 LEU 62 2HD2 LEU 62 6.305 -7.803 -5.752 31 3HD2 LEU 62 3HD2 LEU 62 5.586 -8.858 -7.018 32 H SER 63 H SER 63 4.468 -4.288 -5.019 33 HA SER 63 HA SER 63 2.982 -3.067 -2.816 34 1HB SER 63 2HB SER 63 4.680 -1.660 -4.991 35 2HB SER 63 1HB SER 63 3.706 -0.814 -3.731 36 HG SER 63 HG SER 63 5.903 -0.968 -3.216 37 H CYS 64 H CYS 64 1.446 -1.321 -3.854 38 HA CYS 64 HA CYS 64 0.035 -2.722 -5.869 39 1HB CYS 64 2HB CYS 64 -0.620 0.115 -4.990 40 2HB CYS 64 1HB CYS 64 -1.707 -1.233 -5.512 41 H THR 65 H THR 65 -0.793 -1.340 -7.812 42 HA THR 65 HA THR 65 1.522 -0.601 -9.232 43 HB THR 65 HB THR 65 0.080 -1.538 -10.716 44 HG1 THR 65 HG1 THR 65 -0.948 0.101 -11.876 45 1HG2 THR 65 3HG2 THR 65 -2.205 -0.224 -9.092 46 2HG2 THR 65 1HG2 THR 65 -2.440 -1.121 -10.634 47 3HG2 THR 65 2HG2 THR 65 -1.760 -1.981 -9.215 48 H ILE 66 H ILE 66 -1.102 1.241 -7.615 49 HA ILE 66 HA ILE 66 -0.135 3.691 -8.704 50 HB ILE 66 HB ILE 66 -1.522 4.088 -6.242 51 1HG1 ILE 66 2HG1 ILE 66 -3.819 3.565 -7.321 52 2HG1 ILE 66 1HG1 ILE 66 -2.966 2.377 -8.357 53 1HG2 ILE 66 1HG2 ILE 66 -0.881 5.728 -7.980 54 2HG2 ILE 66 2HG2 ILE 66 -1.961 4.910 -9.174 55 3HG2 ILE 66 3HG2 ILE 66 -2.668 5.715 -7.716 56 1HD1 ILE 66 3HD1 ILE 66 -2.868 2.426 -5.257 57 2HD1 ILE 66 1HD1 ILE 66 -4.015 1.418 -6.211 58 3HD1 ILE 66 2HD1 ILE 66 -2.246 1.112 -6.323 59 H CYS 67 H CYS 67 0.321 1.787 -5.710 60 HA CYS 67 HA CYS 67 1.460 3.860 -4.259 61 1HB CYS 67 2HB CYS 67 1.530 0.938 -3.946 62 2HB CYS 67 1HB CYS 67 2.229 2.055 -2.742 63 H ARG 68 H ARG 68 2.786 1.620 -6.637 64 HA ARG 68 HA ARG 68 5.474 2.087 -5.747 65 1HB ARG 68 2HB ARG 68 4.610 -0.088 -6.799 66 2HB ARG 68 1HB ARG 68 4.543 0.795 -8.361 67 1HG ARG 68 2HG ARG 68 7.020 1.204 -8.211 68 2HG ARG 68 1HG ARG 68 7.064 0.386 -6.612 69 1HD ARG 68 2HD ARG 68 6.174 -0.945 -9.259 70 2HD ARG 68 1HD ARG 68 7.839 -1.074 -8.574 71 HE ARG 68 HE ARG 68 5.399 -2.457 -7.640 72 1HH1 ARG 68 1HH1 ARG 68 8.695 -1.360 -6.785 73 2HH1 ARG 68 2HH1 ARG 68 8.985 -2.661 -5.679 74 1HH2 ARG 68 1HH2 ARG 68 5.821 -4.205 -6.145 75 2HH2 ARG 68 2HH2 ARG 68 7.338 -4.293 -5.313 76 H LYS 69 H LYS 69 3.056 3.605 -7.798 77 HA LYS 69 HA LYS 69 4.922 4.834 -9.526 78 1HB LYS 69 2HB LYS 69 2.533 4.365 -10.161 79 2HB LYS 69 1HB LYS 69 2.011 5.606 -8.972 80 1HG LYS 69 2HG LYS 69 1.939 6.528 -11.208 81 2HG LYS 69 1HG LYS 69 3.231 7.369 -10.298 82 1HD LYS 69 2HD LYS 69 4.956 5.956 -11.468 83 2HD LYS 69 1HD LYS 69 3.642 5.047 -12.295 84 1HE LYS 69 2HE LYS 69 4.628 6.740 -13.825 85 2HE LYS 69 1HE LYS 69 2.916 7.195 -13.437 86 1HZ LYS 69 2HZ LYS 69 5.364 8.288 -12.148 87 2HZ LYS 69 3HZ LYS 69 4.405 9.061 -13.318 88 3HZ LYS 69 1HZ LYS 69 3.761 8.718 -11.783 89 H ARG 70 H ARG 70 3.017 5.859 -6.551 90 HA ARG 70 HA ARG 70 4.194 8.425 -6.635 91 1HB ARG 70 2HB ARG 70 3.190 7.200 -4.050 92 2HB ARG 70 1HB ARG 70 3.073 8.899 -4.611 93 1HG ARG 70 2HG ARG 70 1.411 6.464 -5.486 94 2HG ARG 70 1HG ARG 70 0.886 7.836 -4.505 95 1HD ARG 70 2HD ARG 70 1.246 9.374 -6.537 96 2HD ARG 70 1HD ARG 70 1.500 7.879 -7.532 97 HE ARG 70 HE ARG 70 -0.903 7.545 -6.020 98 1HH1 ARG 70 1HH1 ARG 70 0.475 9.645 -8.551 99 2HH1 ARG 70 2HH1 ARG 70 -1.054 10.040 -9.263 100 1HH2 ARG 70 1HH2 ARG 70 -2.978 8.088 -6.994 101 2HH2 ARG 70 2HH2 ARG 70 -3.044 9.144 -8.365 102 H LYS 71 H LYS 71 4.827 5.295 -5.150 103 HA LYS 71 HA LYS 71 6.425 4.407 -4.086 104 1HB LYS 71 2HB LYS 71 8.123 5.681 -5.452 105 2HB LYS 71 1HB LYS 71 8.191 6.889 -4.124 106 1HG LYS 71 2HG LYS 71 8.413 4.203 -2.977 107 2HG LYS 71 1HG LYS 71 9.514 4.311 -4.371 108 1HD LYS 71 2HD LYS 71 10.558 6.378 -3.413 109 2HD LYS 71 1HD LYS 71 9.391 6.329 -2.040 110 1HE LYS 71 2HE LYS 71 11.471 4.119 -2.647 111 2HE LYS 71 1HE LYS 71 11.653 5.423 -1.399 112 1HZ LYS 71 1HZ LYS 71 9.667 4.607 -0.332 113 2HZ LYS 71 2HZ LYS 71 9.494 3.382 -1.497 114 3HZ LYS 71 3HZ LYS 71 10.839 3.384 -0.460 115 H VAL 72 H VAL 72 4.830 4.309 -2.531 116 HA VAL 72 HA VAL 72 5.639 5.622 -0.094 117 HB VAL 72 HB VAL 72 3.172 5.043 0.553 118 1HG1 VAL 72 3HG1 VAL 72 4.176 7.342 0.582 119 2HG1 VAL 72 1HG1 VAL 72 3.807 7.529 -1.175 120 3HG1 VAL 72 2HG1 VAL 72 2.462 7.389 0.018 121 1HG2 VAL 72 1HG2 VAL 72 2.533 3.934 -1.601 122 2HG2 VAL 72 2HG2 VAL 72 1.486 5.338 -1.225 123 3HG2 VAL 72 3HG2 VAL 72 2.760 5.498 -2.476 124 H LYS 73 H LYS 73 5.158 3.971 1.699 125 HA LYS 73 HA LYS 73 5.806 1.385 0.630 126 1HB LYS 73 2HB LYS 73 5.444 2.468 3.460 127 2HB LYS 73 1HB LYS 73 5.548 0.701 3.146 128 1HG LYS 73 2HG LYS 73 7.697 2.689 2.222 129 2HG LYS 73 1HG LYS 73 7.735 1.829 3.808 130 1HD LYS 73 2HD LYS 73 7.634 -0.375 2.598 131 2HD LYS 73 1HD LYS 73 7.763 0.493 1.027 132 1HE LYS 73 2HE LYS 73 9.871 0.583 3.292 133 2HE LYS 73 1HE LYS 73 9.977 -0.406 1.775 134 1HZ LYS 73 1HZ LYS 73 9.896 1.627 0.508 135 2HZ LYS 73 2HZ LYS 73 9.795 2.557 1.925 136 3HZ LYS 73 3HZ LYS 73 11.191 1.642 1.605 137 H CYS 74 H CYS 74 4.451 -0.020 -0.023 138 HA CYS 74 HA CYS 74 1.680 0.138 0.634 139 1HB CYS 74 1HB CYS 74 2.794 -0.463 -1.629 140 2HB CYS 74 2HB CYS 74 3.189 -2.043 -0.879 141 H ASP 75 H ASP 75 0.861 -2.520 0.879 142 HA ASP 75 HA ASP 75 2.087 -3.187 3.473 143 1HB ASP 75 2HB ASP 75 -0.905 -2.691 2.958 144 2HB ASP 75 1HB ASP 75 -0.211 -3.317 4.488 145 H LYS 76 H LYS 76 -0.300 -3.888 0.933 146 HA LYS 76 HA LYS 76 -1.538 -5.503 0.500 147 1HB LYS 76 2HB LYS 76 -0.559 -7.863 0.062 148 2HB LYS 76 1HB LYS 76 -0.318 -6.469 -1.012 149 1HG LYS 76 2HG LYS 76 1.707 -7.421 -1.071 150 2HG LYS 76 1HG LYS 76 1.963 -6.076 0.076 151 1HD LYS 76 2HD LYS 76 1.783 -7.746 1.992 152 2HD LYS 76 1HD LYS 76 1.471 -9.054 0.805 153 1HE LYS 76 2HE LYS 76 4.065 -7.372 0.897 154 2HE LYS 76 1HE LYS 76 3.862 -9.021 1.623 155 1HZ LYS 76 3HZ LYS 76 3.320 -9.858 -0.559 156 2HZ LYS 76 1HZ LYS 76 3.514 -8.315 -1.243 157 3HZ LYS 76 2HZ LYS 76 4.844 -9.108 -0.550 158 H LEU 77 H LEU 77 -2.691 -5.079 2.320 159 HA LEU 77 HA LEU 77 -2.595 -7.103 4.391 160 1HB LEU 77 2HB LEU 77 -4.738 -4.950 3.804 161 2HB LEU 77 1HB LEU 77 -4.645 -6.000 5.265 162 HG LEU 77 HG LEU 77 -2.952 -3.598 4.480 163 1HD1 LEU 77 2HD2 LEU 77 -4.550 -4.451 6.985 164 2HD1 LEU 77 3HD2 LEU 77 -3.601 -2.933 6.847 165 3HD1 LEU 77 1HD2 LEU 77 -5.022 -3.205 5.767 166 1HD2 LEU 77 2HD1 LEU 77 -2.190 -5.740 6.556 167 2HD2 LEU 77 3HD1 LEU 77 -1.291 -5.278 5.053 168 3HD2 LEU 77 1HD1 LEU 77 -1.436 -4.096 6.402 169 H ARG 78 H ARG 78 -4.118 -6.077 1.548 170 HA ARG 78 HA ARG 78 -5.275 -6.911 -0.032 171 1HB ARG 78 2HB ARG 78 -4.986 -9.540 1.397 172 2HB ARG 78 1HB ARG 78 -5.832 -9.377 -0.185 173 1HG ARG 78 2HG ARG 78 -3.761 -8.389 -1.189 174 2HG ARG 78 1HG ARG 78 -2.889 -8.630 0.366 175 1HD ARG 78 2HD ARG 78 -4.138 -10.887 -1.341 176 2HD ARG 78 1HD ARG 78 -2.369 -10.463 -1.261 177 HE ARG 78 HE ARG 78 -3.268 -10.847 1.416 178 1HH1 ARG 78 1HH1 ARG 78 -2.946 -12.686 -1.622 179 2HH1 ARG 78 2HH1 ARG 78 -2.709 -14.215 -0.843 180 1HH2 ARG 78 1HH2 ARG 78 -2.945 -12.926 2.466 181 2HH2 ARG 78 2HH2 ARG 78 -2.708 -14.354 1.513 182 HA PRO 79 HA PRO 79 -7.004 -7.502 -1.468 183 1HB PRO 79 2HB PRO 79 -9.344 -6.276 -2.372 184 2HB PRO 79 1HB PRO 79 -9.246 -8.039 -1.964 185 1HG PRO 79 2HG PRO 79 -10.288 -5.755 -0.218 186 2HG PRO 79 1HG PRO 79 -11.017 -7.393 -0.482 187 1HD PRO 79 2HD PRO 79 -9.442 -6.779 1.736 188 2HD PRO 79 1HD PRO 79 -9.391 -8.431 0.961 189 H HIS 80 H HIS 80 -8.193 -4.822 0.602 190 HA HIS 80 HA HIS 80 -6.779 -2.927 -1.110 191 1HB HIS 80 2HB HIS 80 -7.878 -1.241 0.595 192 2HB HIS 80 1HB HIS 80 -8.937 -2.037 -0.619 193 HD1 HIS 80 HD1 HIS 80 -8.075 -2.577 3.114 194 HD2 HIS 80 HD2 HIS 80 -11.059 -3.411 0.288 195 HE1 HIS 80 HE1 HIS 80 -10.038 -3.666 4.332 196 H CYS 81 H CYS 81 -5.205 -1.516 -0.145 197 HA CYS 81 HA CYS 81 -4.011 -2.725 2.260 198 1HB CYS 81 2HB CYS 81 -1.938 -1.576 1.607 199 2HB CYS 81 1HB CYS 81 -2.507 -2.542 0.209 200 H GLN 82 H GLN 82 -2.782 -0.768 3.479 201 HA GLN 82 HA GLN 82 -4.851 0.802 4.470 202 1HB GLN 82 2HB GLN 82 -1.842 1.121 4.914 203 2HB GLN 82 1HB GLN 82 -3.137 1.830 5.941 204 1HG GLN 82 2HG GLN 82 -3.901 -0.418 6.630 205 2HG GLN 82 1HG GLN 82 -2.768 -1.207 5.468 206 1HE2 GLN 82 2HE2 GLN 82 -0.611 -1.674 8.163 207 2HE2 GLN 82 1HE2 GLN 82 -1.764 -2.379 7.070 208 H GLN 83 H GLN 83 -2.538 1.496 1.858 209 HA GLN 83 HA GLN 83 -2.659 4.258 1.964 210 1HB GLN 83 2HB GLN 83 -2.107 2.489 -0.148 211 2HB GLN 83 1HB GLN 83 -1.952 4.242 -0.323 212 1HG GLN 83 2HG GLN 83 -0.362 2.496 1.699 213 2HG GLN 83 1HG GLN 83 0.271 3.044 0.102 214 1HE2 GLN 83 2HE2 GLN 83 0.884 5.400 3.214 215 2HE2 GLN 83 1HE2 GLN 83 0.689 3.677 3.213 216 H CYS 84 H CYS 84 -4.350 1.916 -0.440 217 HA CYS 84 HA CYS 84 -6.044 3.903 -1.120 218 1HB CYS 84 1HB CYS 84 -6.690 1.265 -2.042 219 2HB CYS 84 2HB CYS 84 -6.486 2.599 -2.766 220 H THR 85 H THR 85 -6.333 2.016 1.731 221 HA THR 85 HA THR 85 -9.199 1.963 1.508 222 HB THR 85 HB THR 85 -7.373 1.894 3.965 223 HG1 THR 85 HG1 THR 85 -7.308 0.124 2.533 224 1HG2 THR 85 3HG2 THR 85 -10.433 1.477 3.652 225 2HG2 THR 85 1HG2 THR 85 -9.480 0.963 5.090 226 3HG2 THR 85 2HG2 THR 85 -9.616 2.706 4.698 227 H LYS 86 H LYS 86 -6.535 4.103 2.495 228 HA LYS 86 HA LYS 86 -8.154 6.015 3.732 229 1HB LYS 86 1HB LYS 86 -5.712 5.529 4.193 230 2HB LYS 86 2HB LYS 86 -5.449 6.602 2.775 231 1HG LYS 86 2HG LYS 86 -6.630 8.465 3.936 232 2HG LYS 86 1HG LYS 86 -7.068 7.355 5.282 233 1HD LYS 86 2HD LYS 86 -4.637 7.052 5.813 234 2HD LYS 86 1HD LYS 86 -4.212 8.203 4.496 235 1HE LYS 86 2HE LYS 86 -5.464 10.031 5.680 236 2HE LYS 86 1HE LYS 86 -5.923 8.865 6.991 237 1HZ LYS 86 1HZ LYS 86 -3.591 8.544 7.446 238 2HZ LYS 86 2HZ LYS 86 -3.157 9.637 6.220 239 3HZ LYS 86 3HZ LYS 86 -4.019 10.182 7.578 240 H THR 87 H THR 87 -6.724 5.852 0.292 241 HA THR 87 HA THR 87 -7.944 8.448 -0.078 242 HB THR 87 HB THR 87 -5.873 8.468 -1.102 243 HG1 THR 87 HG1 THR 87 -6.425 8.502 -3.293 244 1HG2 THR 87 2HG2 THR 87 -6.561 5.674 -2.221 245 2HG2 THR 87 3HG2 THR 87 -5.181 6.686 -2.781 246 3HG2 THR 87 1HG2 THR 87 -5.241 6.120 -1.081 247 H GLY 88 H GLY 88 -8.482 4.959 -0.643 248 1HA GLY 88 1HA GLY 88 -10.551 4.138 -0.870 249 2HA GLY 88 2HA GLY 88 -11.149 5.736 -1.481 250 H VAL 89 H VAL 89 -8.186 3.950 -2.420 251 HA VAL 89 HA VAL 89 -9.415 3.566 -4.988 252 HB VAL 89 HB VAL 89 -7.473 3.567 -6.275 253 1HG1 VAL 89 1HG1 VAL 89 -8.753 5.357 -5.451 254 2HG1 VAL 89 2HG1 VAL 89 -7.462 5.588 -4.066 255 3HG1 VAL 89 3HG1 VAL 89 -7.041 5.937 -5.847 256 1HG2 VAL 89 2HG2 VAL 89 -5.736 4.163 -3.754 257 2HG2 VAL 89 3HG2 VAL 89 -5.524 2.775 -4.883 258 3HG2 VAL 89 1HG2 VAL 89 -5.293 4.453 -5.479 259 H ALA 90 H ALA 90 -10.259 1.935 -3.237 260 HA ALA 90 HA ALA 90 -8.316 -0.008 -3.040 261 1HB ALA 90 1HB ALA 90 -11.400 -0.230 -2.659 262 2HB ALA 90 2HB ALA 90 -10.262 -1.578 -2.287 263 3HB ALA 90 3HB ALA 90 -10.167 -0.030 -1.349 264 H HIS 91 H HIS 91 -10.713 1.220 -5.233 265 HA HIS 91 HA HIS 91 -11.326 -0.880 -6.951 266 1HB HIS 91 1HB HIS 91 -12.394 0.761 -8.278 267 2HB HIS 91 2HB HIS 91 -12.419 1.471 -6.614 268 HD1 HIS 91 HD1 HIS 91 -10.179 3.099 -6.131 269 HD2 HIS 91 HD2 HIS 91 -12.052 2.919 -9.846 270 HE1 HIS 91 HE1 HIS 91 -9.582 5.221 -7.335 271 H LEU 92 H LEU 92 -8.791 1.742 -6.822 272 HA LEU 92 HA LEU 92 -7.592 0.329 -9.125 273 1HB LEU 92 2HB LEU 92 -6.218 2.619 -7.662 274 2HB LEU 92 1HB LEU 92 -5.778 1.901 -9.241 275 HG LEU 92 HG LEU 92 -8.213 3.600 -8.582 276 1HD1 LEU 92 2HD1 LEU 92 -6.108 4.829 -9.047 277 2HD1 LEU 92 3HD1 LEU 92 -5.942 3.975 -10.628 278 3HD1 LEU 92 1HD1 LEU 92 -7.330 5.095 -10.350 279 1HD2 LEU 92 1HD2 LEU 92 -7.678 1.947 -11.123 280 2HD2 LEU 92 2HD2 LEU 92 -9.034 1.751 -9.955 281 3HD2 LEU 92 3HD2 LEU 92 -8.946 3.236 -10.976 282 H CYS 93 H CYS 93 -7.789 -0.557 -6.224 283 HA CYS 93 HA CYS 93 -4.943 -0.975 -5.688 284 1HB CYS 93 1HB CYS 93 -6.428 -0.612 -3.725 285 2HB CYS 93 2HB CYS 93 -7.226 -2.182 -4.057 286 H HIS 94 H HIS 94 -3.943 -2.338 -6.995 287 HA HIS 94 HA HIS 94 -4.732 -5.110 -6.738 288 1HB HIS 94 2HB HIS 94 -3.835 -3.805 -9.392 289 2HB HIS 94 1HB HIS 94 -4.102 -5.570 -9.123 290 HD1 HIS 94 HD1 HIS 94 -6.771 -6.152 -8.508 291 HD2 HIS 94 HD2 HIS 94 -6.053 -2.386 -10.213 292 HE1 HIS 94 HE1 HIS 94 -9.002 -5.212 -9.327 293 H TYR 95 H TYR 95 -2.795 -6.349 -6.521 294 HA TYR 95 HA TYR 95 -0.389 -4.658 -6.524 295 1HB TYR 95 1HB TYR 95 -0.425 -7.434 -5.277 296 2HB TYR 95 2HB TYR 95 0.735 -6.037 -5.092 297 HD1 TYR 95 HD2 TYR 95 -2.689 -7.329 -4.437 298 HD2 TYR 95 HD1 TYR 95 0.198 -4.384 -3.226 299 HE1 TYR 95 HE2 TYR 95 -4.173 -6.575 -2.619 300 HE2 TYR 95 HE1 TYR 95 -1.300 -3.636 -1.550 301 HH TYR 95 HH TYR 95 -4.454 -5.210 -0.925 302 H MET 96 H MET 96 1.108 -5.094 -8.036 303 HA MET 96 HA MET 96 1.282 -7.706 -9.129 304 1HB MET 96 1HB MET 96 1.294 -6.357 -11.439 305 2HB MET 96 2HB MET 96 -0.140 -7.325 -10.913 306 1HG MET 96 2HG MET 96 -1.185 -5.177 -10.087 307 2HG MET 96 1HG MET 96 0.254 -4.272 -10.662 308 1HE MET 96 2HE MET 96 -2.706 -3.636 -11.378 309 2HE MET 96 3HE MET 96 -1.370 -2.702 -12.141 310 3HE MET 96 1HE MET 96 -2.697 -3.360 -13.154 311 H GLU 97 H GLU 97 3.286 -8.059 -9.222 312 HA GLU 97 HA GLU 97 5.267 -8.139 -9.883 313 1HB GLU 97 2HB GLU 97 3.867 -7.913 -12.034 314 2HB GLU 97 1HB GLU 97 4.548 -6.259 -12.167 315 1HG GLU 97 2HG GLU 97 5.853 -7.828 -13.562 316 2HG GLU 97 1HG GLU 97 6.897 -7.308 -12.189 317 H GLN 98 H GLN 98 7.085 -7.556 -9.074 318 HA GLN 98 HA GLN 98 7.668 -4.770 -8.682 319 1HB GLN 98 1HB GLN 98 8.259 -6.407 -6.918 320 2HB GLN 98 2HB GLN 98 9.276 -7.320 -8.075 321 1HG GLN 98 2HG GLN 98 10.892 -5.424 -8.202 322 2HG GLN 98 1HG GLN 98 9.777 -4.384 -7.230 323 1HE2 GLN 98 2HE2 GLN 98 11.911 -7.541 -5.497 324 2HE2 GLN 98 1HE2 GLN 98 11.676 -7.457 -7.211 325 H THR 99 H THR 99 9.365 -7.579 -10.199 326 HA THR 99 HA THR 99 10.797 -5.697 -11.873 327 HB THR 99 HB THR 99 12.328 -7.122 -10.852 328 HG1 THR 99 HG1 THR 99 12.504 -7.033 -13.112 329 1HG2 THR 99 2HG2 THR 99 10.378 -9.466 -11.426 330 2HG2 THR 99 3HG2 THR 99 12.042 -9.623 -10.760 331 3HG2 THR 99 1HG2 THR 99 10.782 -8.757 -9.822 332 H TRP 100 H TRP 100 9.708 -5.117 -13.664 333 HA TRP 100 HA TRP 100 7.908 -6.998 -14.854 334 1HB TRP 100 2HB TRP 100 8.851 -4.273 -15.892 335 2HB TRP 100 1HB TRP 100 7.458 -5.237 -16.516 336 HD1 TRP 100 HD1 TRP 100 5.240 -5.358 -14.790 337 HE1 TRP 100 HE1 TRP 100 4.507 -3.775 -12.912 338 HE3 TRP 100 HE3 TRP 100 9.604 -2.850 -14.175 339 HZ2 TRP 100 HZ2 TRP 100 5.661 -1.705 -11.370 340 HZ3 TRP 100 HZ3 TRP 100 9.730 -1.074 -12.488 341 HH2 TRP 100 HH2 TRP 100 7.794 -0.504 -11.116 No H/Q in entry = 341 Start of MODEL 15 1 1H ILE 60 2H ILE 60 6.813 -5.129 2.189 2 2H ILE 60 3H ILE 60 7.530 -6.513 2.864 3 3H ILE 60 1H ILE 60 7.901 -4.975 3.484 4 HA ILE 60 HA ILE 60 8.913 -4.363 1.474 5 HB ILE 60 HB ILE 60 9.943 -6.772 2.772 6 1HG1 ILE 60 2HG1 ILE 60 9.665 -4.717 4.159 7 2HG1 ILE 60 1HG1 ILE 60 11.345 -5.317 4.031 8 1HG2 ILE 60 1HG2 ILE 60 11.346 -5.034 0.641 9 2HG2 ILE 60 2HG2 ILE 60 12.221 -6.089 1.806 10 3HG2 ILE 60 3HG2 ILE 60 11.105 -6.827 0.617 11 1HD1 ILE 60 2HD1 ILE 60 10.220 -2.912 2.450 12 2HD1 ILE 60 3HD1 ILE 60 11.259 -2.836 3.917 13 3HD1 ILE 60 1HD1 ILE 60 11.915 -3.521 2.391 14 HA PRO 61 HA PRO 61 8.434 -7.632 -1.771 15 1HB PRO 61 1HB PRO 61 6.239 -9.439 -0.678 16 2HB PRO 61 2HB PRO 61 7.641 -9.908 -1.726 17 1HG PRO 61 2HG PRO 61 7.662 -10.496 0.954 18 2HG PRO 61 1HG PRO 61 9.158 -9.848 0.156 19 1HD PRO 61 2HD PRO 61 7.084 -8.304 1.806 20 2HD PRO 61 1HD PRO 61 8.902 -8.226 1.863 21 H LEU 62 H LEU 62 7.270 -6.661 -3.342 22 HA LEU 62 HA LEU 62 5.736 -5.865 -4.555 23 1HB LEU 62 2HB LEU 62 3.747 -7.389 -2.817 24 2HB LEU 62 1HB LEU 62 3.290 -6.510 -4.302 25 HG LEU 62 HG LEU 62 5.372 -8.764 -4.249 26 1HD1 LEU 62 1HD2 LEU 62 2.390 -8.827 -5.013 27 2HD1 LEU 62 2HD2 LEU 62 3.567 -10.174 -5.263 28 3HD1 LEU 62 3HD2 LEU 62 3.155 -9.635 -3.591 29 1HD2 LEU 62 1HD1 LEU 62 3.921 -7.343 -6.579 30 2HD2 LEU 62 2HD1 LEU 62 5.683 -7.251 -6.200 31 3HD2 LEU 62 3HD1 LEU 62 4.959 -8.808 -6.737 32 H SER 63 H SER 63 3.835 -4.526 -4.879 33 HA SER 63 HA SER 63 3.038 -2.724 -2.860 34 1HB SER 63 1HB SER 63 5.372 -1.774 -3.212 35 2HB SER 63 2HB SER 63 5.123 -1.862 -5.001 36 HG SER 63 HG SER 63 4.823 0.200 -4.128 37 H CYS 64 H CYS 64 1.424 -1.177 -4.013 38 HA CYS 64 HA CYS 64 0.227 -2.705 -6.059 39 1HB CYS 64 2HB CYS 64 -0.586 0.109 -5.265 40 2HB CYS 64 1HB CYS 64 -1.601 -1.236 -5.915 41 H THR 65 H THR 65 -0.936 -1.096 -7.795 42 HA THR 65 HA THR 65 1.151 -0.655 -9.600 43 HB THR 65 HB THR 65 -0.739 0.161 -11.116 44 HG1 THR 65 HG1 THR 65 -2.067 0.807 -9.383 45 1HG2 THR 65 1HG2 THR 65 -1.014 -2.612 -9.736 46 2HG2 THR 65 2HG2 THR 65 -1.730 -2.148 -11.310 47 3HG2 THR 65 3HG2 THR 65 0.063 -2.214 -11.121 48 H ILE 66 H ILE 66 -0.953 1.629 -7.718 49 HA ILE 66 HA ILE 66 0.332 3.815 -9.115 50 HB ILE 66 HB ILE 66 -1.015 4.440 -6.638 51 1HG1 ILE 66 2HG1 ILE 66 -2.668 3.616 -9.106 52 2HG1 ILE 66 1HG1 ILE 66 -2.592 2.716 -7.549 53 1HG2 ILE 66 2HG2 ILE 66 0.096 6.103 -8.158 54 2HG2 ILE 66 3HG2 ILE 66 -0.995 5.606 -9.499 55 3HG2 ILE 66 1HG2 ILE 66 -1.658 6.433 -8.040 56 1HD1 ILE 66 3HD1 ILE 66 -3.454 4.771 -6.342 57 2HD1 ILE 66 1HD1 ILE 66 -3.707 5.565 -7.944 58 3HD1 ILE 66 2HD1 ILE 66 -4.612 4.069 -7.521 59 H CYS 67 H CYS 67 0.499 1.963 -6.086 60 HA CYS 67 HA CYS 67 1.846 3.978 -4.686 61 1HB CYS 67 1HB CYS 67 1.494 0.995 -4.163 62 2HB CYS 67 2HB CYS 67 2.350 2.084 -3.034 63 H ARG 68 H ARG 68 3.037 1.525 -6.910 64 HA ARG 68 HA ARG 68 5.681 1.637 -5.870 65 1HB ARG 68 2HB ARG 68 4.779 -0.310 -7.223 66 2HB ARG 68 1HB ARG 68 4.687 0.780 -8.647 67 1HG ARG 68 2HG ARG 68 6.648 -0.691 -8.762 68 2HG ARG 68 1HG ARG 68 7.192 1.009 -8.626 69 1HD ARG 68 2HD ARG 68 7.682 0.646 -6.170 70 2HD ARG 68 1HD ARG 68 7.121 -1.078 -6.336 71 HE ARG 68 HE ARG 68 9.082 -0.564 -8.365 72 1HH1 ARG 68 1HH1 ARG 68 8.763 -0.739 -4.817 73 2HH1 ARG 68 2HH1 ARG 68 10.401 -1.233 -4.546 74 1HH2 ARG 68 1HH2 ARG 68 11.307 -1.235 -7.988 75 2HH2 ARG 68 2HH2 ARG 68 11.867 -1.518 -6.374 76 H LYS 69 H LYS 69 3.688 3.442 -8.210 77 HA LYS 69 HA LYS 69 5.767 4.756 -9.518 78 1HB LYS 69 2HB LYS 69 3.083 5.541 -9.306 79 2HB LYS 69 1HB LYS 69 4.258 6.280 -10.426 80 1HG LYS 69 2HG LYS 69 4.553 4.079 -11.572 81 2HG LYS 69 1HG LYS 69 3.386 3.309 -10.442 82 1HD LYS 69 2HD LYS 69 1.570 4.805 -11.262 83 2HD LYS 69 1HD LYS 69 2.721 5.583 -12.409 84 1HE LYS 69 2HE LYS 69 3.043 3.390 -13.589 85 2HE LYS 69 1HE LYS 69 1.905 2.596 -12.425 86 1HZ LYS 69 3HZ LYS 69 0.192 4.115 -13.158 87 2HZ LYS 69 1HZ LYS 69 1.258 4.842 -14.261 88 3HZ LYS 69 2HZ LYS 69 0.818 3.213 -14.454 89 H ARG 70 H ARG 70 3.651 5.696 -6.719 90 HA ARG 70 HA ARG 70 4.866 8.243 -6.530 91 1HB ARG 70 2HB ARG 70 3.290 6.747 -4.372 92 2HB ARG 70 1HB ARG 70 3.521 8.524 -4.503 93 1HG ARG 70 2HG ARG 70 1.912 6.722 -6.422 94 2HG ARG 70 1HG ARG 70 1.232 7.758 -5.155 95 1HD ARG 70 2HD ARG 70 2.007 9.802 -6.383 96 2HD ARG 70 1HD ARG 70 2.802 8.751 -7.638 97 HE ARG 70 HE ARG 70 0.018 8.018 -7.299 98 1HH1 ARG 70 1HH1 ARG 70 2.191 10.501 -8.659 99 2HH1 ARG 70 2HH1 ARG 70 1.123 10.933 -9.952 100 1HH2 ARG 70 1HH2 ARG 70 -1.422 8.612 -9.054 101 2HH2 ARG 70 2HH2 ARG 70 -0.961 9.846 -10.180 102 H LYS 71 H LYS 71 5.251 5.033 -5.122 103 HA LYS 71 HA LYS 71 6.717 4.073 -3.956 104 1HB LYS 71 1HB LYS 71 8.460 5.521 -5.256 105 2HB LYS 71 2HB LYS 71 8.539 6.522 -3.777 106 1HG LYS 71 2HG LYS 71 10.379 4.979 -3.660 107 2HG LYS 71 1HG LYS 71 9.164 4.418 -2.470 108 1HD LYS 71 2HD LYS 71 9.829 2.436 -3.404 109 2HD LYS 71 1HD LYS 71 8.387 2.760 -4.419 110 1HE LYS 71 2HE LYS 71 11.319 3.420 -5.204 111 2HE LYS 71 1HE LYS 71 10.434 1.921 -5.686 112 1HZ LYS 71 3HZ LYS 71 9.633 4.694 -6.371 113 2HZ LYS 71 1HZ LYS 71 10.410 3.584 -7.396 114 3HZ LYS 71 2HZ LYS 71 8.838 3.267 -6.836 115 H VAL 72 H VAL 72 4.590 4.648 -2.735 116 HA VAL 72 HA VAL 72 5.365 5.733 -0.155 117 HB VAL 72 HB VAL 72 2.899 5.401 0.315 118 1HG1 VAL 72 1HG1 VAL 72 3.964 7.628 -0.104 119 2HG1 VAL 72 2HG1 VAL 72 3.700 7.427 -1.878 120 3HG1 VAL 72 3HG1 VAL 72 2.287 7.570 -0.766 121 1HG2 VAL 72 3HG2 VAL 72 2.723 5.122 -2.760 122 2HG2 VAL 72 1HG2 VAL 72 2.319 3.846 -1.546 123 3HG2 VAL 72 2HG2 VAL 72 1.348 5.349 -1.632 124 H LYS 73 H LYS 73 4.506 4.243 1.661 125 HA LYS 73 HA LYS 73 5.579 1.680 1.032 126 1HB LYS 73 1HB LYS 73 6.136 2.832 3.176 127 2HB LYS 73 2HB LYS 73 4.405 2.789 3.645 128 1HG LYS 73 2HG LYS 73 5.728 1.075 4.821 129 2HG LYS 73 1HG LYS 73 4.483 0.297 3.799 130 1HD LYS 73 2HD LYS 73 6.214 -0.237 2.076 131 2HD LYS 73 1HD LYS 73 7.464 0.606 3.059 132 1HE LYS 73 2HE LYS 73 7.188 -1.066 4.887 133 2HE LYS 73 1HE LYS 73 5.831 -1.856 3.980 134 1HZ LYS 73 3HZ LYS 73 7.365 -2.333 2.201 135 2HZ LYS 73 1HZ LYS 73 8.640 -1.597 3.048 136 3HZ LYS 73 2HZ LYS 73 7.905 -2.996 3.668 137 H CYS 74 H CYS 74 4.292 0.364 -0.156 138 HA CYS 74 HA CYS 74 1.650 -0.207 0.949 139 1HB CYS 74 2HB CYS 74 1.835 0.777 -1.412 140 2HB CYS 74 1HB CYS 74 2.754 -0.675 -1.874 141 H ASP 75 H ASP 75 1.244 -2.779 0.153 142 HA ASP 75 HA ASP 75 3.680 -4.230 0.687 143 1HB ASP 75 2HB ASP 75 1.375 -3.999 2.716 144 2HB ASP 75 1HB ASP 75 2.401 -5.480 2.627 145 H LYS 76 H LYS 76 0.165 -4.796 1.221 146 HA LYS 76 HA LYS 76 -0.450 -6.353 -0.735 147 1HB LYS 76 1HB LYS 76 1.749 -7.834 0.083 148 2HB LYS 76 2HB LYS 76 0.571 -8.370 1.313 149 1HG LYS 76 2HG LYS 76 0.652 -9.969 -0.497 150 2HG LYS 76 1HG LYS 76 -0.937 -9.147 -0.614 151 1HD LYS 76 2HD LYS 76 0.026 -7.623 -2.403 152 2HD LYS 76 1HD LYS 76 1.556 -8.561 -2.324 153 1HE LYS 76 2HE LYS 76 -1.234 -9.692 -3.069 154 2HE LYS 76 1HE LYS 76 0.100 -9.295 -4.229 155 1HZ LYS 76 3HZ LYS 76 1.472 -10.926 -3.119 156 2HZ LYS 76 1HZ LYS 76 0.214 -11.304 -2.041 157 3HZ LYS 76 2HZ LYS 76 0.034 -11.619 -3.700 158 H LEU 77 H LEU 77 -0.506 -5.518 2.629 159 HA LEU 77 HA LEU 77 -1.937 -7.280 3.877 160 1HB LEU 77 2HB LEU 77 -2.571 -5.485 5.458 161 2HB LEU 77 1HB LEU 77 -0.873 -5.312 4.893 162 HG LEU 77 HG LEU 77 -2.251 -3.675 3.122 163 1HD1 LEU 77 2HD1 LEU 77 -4.355 -3.948 4.516 164 2HD1 LEU 77 3HD1 LEU 77 -3.441 -3.408 5.971 165 3HD1 LEU 77 1HD1 LEU 77 -3.734 -2.271 4.613 166 1HD2 LEU 77 1HD2 LEU 77 -0.037 -3.369 4.238 167 2HD2 LEU 77 2HD2 LEU 77 -1.073 -1.904 4.241 168 3HD2 LEU 77 3HD2 LEU 77 -0.895 -2.885 5.749 169 H ARG 78 H ARG 78 -3.991 -7.915 4.301 170 HA ARG 78 HA ARG 78 -5.542 -7.624 1.998 171 1HB ARG 78 2HB ARG 78 -6.175 -9.119 4.597 172 2HB ARG 78 1HB ARG 78 -7.091 -9.289 3.061 173 1HG ARG 78 2HG ARG 78 -4.153 -10.080 3.546 174 2HG ARG 78 1HG ARG 78 -5.563 -11.179 3.370 175 1HD ARG 78 2HD ARG 78 -5.900 -10.314 0.999 176 2HD ARG 78 1HD ARG 78 -4.352 -9.390 1.141 177 HE ARG 78 HE ARG 78 -4.690 -12.306 0.849 178 1HH1 ARG 78 1HH1 ARG 78 -2.510 -9.698 1.963 179 2HH1 ARG 78 2HH1 ARG 78 -1.066 -10.623 1.723 180 1HH2 ARG 78 1HH2 ARG 78 -2.729 -13.527 0.531 181 2HH2 ARG 78 2HH2 ARG 78 -1.192 -12.822 0.900 182 HA PRO 79 HA PRO 79 -7.753 -7.879 1.291 183 1HB PRO 79 2HB PRO 79 -9.835 -6.299 0.294 184 2HB PRO 79 1HB PRO 79 -10.079 -7.648 1.473 185 1HG PRO 79 2HG PRO 79 -9.954 -4.657 2.035 186 2HG PRO 79 1HG PRO 79 -11.034 -5.910 2.773 187 1HD PRO 79 2HD PRO 79 -8.675 -4.937 3.976 188 2HD PRO 79 1HD PRO 79 -9.316 -6.618 4.271 189 H HIS 80 H HIS 80 -8.329 -4.248 1.171 190 HA HIS 80 HA HIS 80 -6.334 -4.069 -0.909 191 1HB HIS 80 2HB HIS 80 -7.764 -1.685 0.238 192 2HB HIS 80 1HB HIS 80 -7.398 -2.051 -1.461 193 HD1 HIS 80 HD1 HIS 80 -9.044 -4.511 -2.142 194 HD2 HIS 80 HD2 HIS 80 -10.358 -1.473 0.410 195 HE1 HIS 80 HE1 HIS 80 -11.601 -4.572 -2.115 196 H CYS 81 H CYS 81 -4.885 -2.029 -0.573 197 HA CYS 81 HA CYS 81 -3.511 -2.711 1.811 198 1HB CYS 81 2HB CYS 81 -1.649 -1.447 1.056 199 2HB CYS 81 1HB CYS 81 -2.353 -2.164 -0.426 200 H GLN 82 H GLN 82 -2.391 -0.883 3.071 201 HA GLN 82 HA GLN 82 -4.201 0.449 4.566 202 1HB GLN 82 1HB GLN 82 -1.329 0.678 4.149 203 2HB GLN 82 2HB GLN 82 -2.095 1.990 5.103 204 1HG GLN 82 2HG GLN 82 -2.470 -1.003 5.727 205 2HG GLN 82 1HG GLN 82 -1.152 -0.044 6.450 206 1HE2 GLN 82 2HE2 GLN 82 -4.818 -0.169 8.104 207 2HE2 GLN 82 1HE2 GLN 82 -4.120 -1.315 7.005 208 H GLN 83 H GLN 83 -2.633 1.765 1.619 209 HA GLN 83 HA GLN 83 -3.440 4.411 2.154 210 1HB GLN 83 1HB GLN 83 -2.633 3.160 -0.532 211 2HB GLN 83 2HB GLN 83 -2.604 4.888 -0.080 212 1HG GLN 83 2HG GLN 83 -0.800 2.652 1.090 213 2HG GLN 83 1HG GLN 83 -0.317 3.887 -0.127 214 1HE2 GLN 83 2HE2 GLN 83 -0.341 6.688 2.157 215 2HE2 GLN 83 1HE2 GLN 83 -0.722 6.241 0.527 216 H CYS 84 H CYS 84 -4.514 1.899 -0.386 217 HA CYS 84 HA CYS 84 -6.516 3.625 -1.109 218 1HB CYS 84 2HB CYS 84 -7.250 1.720 -2.493 219 2HB CYS 84 1HB CYS 84 -5.705 2.338 -2.899 220 H THR 85 H THR 85 -6.634 1.344 1.535 221 HA THR 85 HA THR 85 -9.360 0.838 0.916 222 HB THR 85 HB THR 85 -8.066 0.824 3.721 223 HG1 THR 85 HG1 THR 85 -7.127 -0.605 2.216 224 1HG2 THR 85 1HG2 THR 85 -10.667 -0.436 2.590 225 2HG2 THR 85 2HG2 THR 85 -9.968 -0.813 4.207 226 3HG2 THR 85 3HG2 THR 85 -10.573 0.838 3.868 227 H LYS 86 H LYS 86 -7.307 3.216 2.624 228 HA LYS 86 HA LYS 86 -9.303 4.544 3.981 229 1HB LYS 86 2HB LYS 86 -6.504 5.210 3.406 230 2HB LYS 86 1HB LYS 86 -7.578 6.287 4.351 231 1HG LYS 86 2HG LYS 86 -8.038 4.390 5.943 232 2HG LYS 86 1HG LYS 86 -6.876 3.361 5.035 233 1HD LYS 86 2HD LYS 86 -5.048 5.027 5.518 234 2HD LYS 86 1HD LYS 86 -6.205 5.992 6.503 235 1HE LYS 86 2HE LYS 86 -5.400 3.056 7.072 236 2HE LYS 86 1HE LYS 86 -4.750 4.514 7.932 237 1HZ LYS 86 3HZ LYS 86 -6.988 5.024 8.640 238 2HZ LYS 86 1HZ LYS 86 -7.595 3.653 7.843 239 3HZ LYS 86 2HZ LYS 86 -6.520 3.470 9.145 240 H THR 87 H THR 87 -7.754 5.365 0.622 241 HA THR 87 HA THR 87 -9.459 7.712 0.841 242 HB THR 87 HB THR 87 -7.294 8.337 0.194 243 HG1 THR 87 HG1 THR 87 -9.008 8.138 -2.054 244 1HG2 THR 87 2HG2 THR 87 -7.531 6.172 -1.982 245 2HG2 THR 87 3HG2 THR 87 -6.219 7.397 -1.878 246 3HG2 THR 87 1HG2 THR 87 -6.394 6.158 -0.591 247 H GLY 88 H GLY 88 -9.249 4.420 -0.374 248 1HA GLY 88 1HA GLY 88 -11.085 3.299 -0.921 249 2HA GLY 88 2HA GLY 88 -11.944 4.849 -1.310 250 H VAL 89 H VAL 89 -8.673 3.801 -2.313 251 HA VAL 89 HA VAL 89 -9.628 3.907 -5.030 252 HB VAL 89 HB VAL 89 -7.363 4.356 -5.882 253 1HG1 VAL 89 3HG1 VAL 89 -9.157 5.713 -5.558 254 2HG1 VAL 89 1HG1 VAL 89 -8.605 6.057 -3.748 255 3HG1 VAL 89 2HG1 VAL 89 -7.615 6.667 -5.177 256 1HG2 VAL 89 3HG2 VAL 89 -6.799 4.495 -2.884 257 2HG2 VAL 89 1HG2 VAL 89 -5.746 3.805 -4.189 258 3HG2 VAL 89 2HG2 VAL 89 -5.959 5.589 -4.049 259 H ALA 90 H ALA 90 -10.059 1.555 -3.624 260 HA ALA 90 HA ALA 90 -7.712 0.085 -3.897 261 1HB ALA 90 2HB ALA 90 -10.512 -0.944 -3.521 262 2HB ALA 90 3HB ALA 90 -8.966 -1.904 -3.489 263 3HB ALA 90 1HB ALA 90 -9.217 -0.562 -2.286 264 H HIS 91 H HIS 91 -10.409 1.063 -5.868 265 HA HIS 91 HA HIS 91 -10.467 -0.832 -7.927 266 1HB HIS 91 2HB HIS 91 -11.529 1.020 -9.251 267 2HB HIS 91 1HB HIS 91 -12.425 0.603 -7.726 268 HD1 HIS 91 HD1 HIS 91 -10.854 2.488 -5.809 269 HD2 HIS 91 HD2 HIS 91 -12.178 3.652 -9.600 270 HE1 HIS 91 HE1 HIS 91 -10.750 4.995 -5.898 271 H LEU 92 H LEU 92 -8.823 2.436 -7.367 272 HA LEU 92 HA LEU 92 -7.563 1.955 -9.874 273 1HB LEU 92 1HB LEU 92 -6.768 4.004 -7.744 274 2HB LEU 92 2HB LEU 92 -6.374 4.037 -9.479 275 HG LEU 92 HG LEU 92 -9.095 4.461 -8.181 276 1HD1 LEU 92 3HD1 LEU 92 -7.589 6.430 -8.156 277 2HD1 LEU 92 1HD1 LEU 92 -7.366 6.301 -9.944 278 3HD1 LEU 92 2HD1 LEU 92 -8.991 6.697 -9.261 279 1HD2 LEU 92 1HD2 LEU 92 -8.406 4.118 -11.163 280 2HD2 LEU 92 2HD2 LEU 92 -9.452 3.059 -10.147 281 3HD2 LEU 92 3HD2 LEU 92 -9.993 4.739 -10.538 282 H CYS 93 H CYS 93 -7.065 0.584 -7.118 283 HA CYS 93 HA CYS 93 -4.082 0.577 -7.488 284 1HB CYS 93 2HB CYS 93 -4.890 2.394 -5.868 285 2HB CYS 93 1HB CYS 93 -5.356 1.063 -4.774 286 H HIS 94 H HIS 94 -4.027 -1.503 -8.185 287 HA HIS 94 HA HIS 94 -4.830 -3.567 -6.247 288 1HB HIS 94 2HB HIS 94 -4.547 -3.537 -9.315 289 2HB HIS 94 1HB HIS 94 -4.661 -5.053 -8.374 290 HD1 HIS 94 HD1 HIS 94 -6.740 -1.969 -9.303 291 HD2 HIS 94 HD2 HIS 94 -7.271 -5.703 -7.466 292 HE1 HIS 94 HE1 HIS 94 -9.248 -2.357 -8.999 293 H TYR 95 H TYR 95 -3.305 -5.462 -6.167 294 HA TYR 95 HA TYR 95 -0.578 -4.596 -6.558 295 1HB TYR 95 1HB TYR 95 -1.435 -7.444 -5.841 296 2HB TYR 95 2HB TYR 95 0.140 -6.626 -5.464 297 HD1 TYR 95 HD1 TYR 95 -0.113 -4.429 -3.874 298 HD2 TYR 95 HD2 TYR 95 -3.010 -7.576 -4.293 299 HE1 TYR 95 HE1 TYR 95 -1.269 -3.618 -1.979 300 HE2 TYR 95 HE2 TYR 95 -4.049 -6.860 -2.184 301 HH TYR 95 HH TYR 95 -2.921 -3.970 -0.457 302 H MET 96 H MET 96 0.944 -6.135 -7.784 303 HA MET 96 HA MET 96 -0.169 -6.626 -10.334 304 1HB MET 96 2HB MET 96 2.521 -7.006 -9.184 305 2HB MET 96 1HB MET 96 2.129 -7.312 -10.906 306 1HG MET 96 2HG MET 96 1.405 -4.925 -11.148 307 2HG MET 96 1HG MET 96 1.819 -4.616 -9.434 308 1HE MET 96 2HE MET 96 2.691 -2.853 -11.740 309 2HE MET 96 3HE MET 96 3.138 -2.596 -10.017 310 3HE MET 96 1HE MET 96 4.397 -2.495 -11.297 311 H GLU 97 H GLU 97 -1.518 -8.396 -10.435 312 HA GLU 97 HA GLU 97 -0.560 -10.877 -9.202 313 1HB GLU 97 2HB GLU 97 -3.360 -10.050 -10.157 314 2HB GLU 97 1HB GLU 97 -2.946 -11.648 -9.455 315 1HG GLU 97 2HG GLU 97 -2.790 -8.940 -7.965 316 2HG GLU 97 1HG GLU 97 -4.096 -10.173 -7.797 317 H GLN 98 H GLN 98 -0.934 -12.843 -10.461 318 HA GLN 98 HA GLN 98 -0.468 -12.317 -13.277 319 1HB GLN 98 2HB GLN 98 -0.283 -14.906 -11.644 320 2HB GLN 98 1HB GLN 98 0.094 -14.755 -13.396 321 1HG GLN 98 2HG GLN 98 1.940 -13.129 -12.861 322 2HG GLN 98 1HG GLN 98 1.601 -13.339 -11.096 323 1HE2 GLN 98 2HE2 GLN 98 3.923 -15.987 -13.129 324 2HE2 GLN 98 1HE2 GLN 98 3.436 -14.437 -13.727 325 H THR 99 H THR 99 -2.920 -13.402 -11.017 326 HA THR 99 HA THR 99 -4.320 -14.888 -13.010 327 HB THR 99 HB THR 99 -4.458 -15.700 -10.760 328 HG1 THR 99 HG1 THR 99 -6.209 -15.917 -12.161 329 1HG2 THR 99 1HG2 THR 99 -4.232 -13.490 -9.534 330 2HG2 THR 99 2HG2 THR 99 -5.922 -13.072 -10.017 331 3HG2 THR 99 3HG2 THR 99 -5.612 -14.490 -8.963 332 H TRP 100 H TRP 100 -4.393 -11.592 -11.617 333 HA TRP 100 HA TRP 100 -6.717 -10.873 -13.137 334 1HB TRP 100 2HB TRP 100 -4.486 -9.220 -11.833 335 2HB TRP 100 1HB TRP 100 -5.796 -8.490 -12.819 336 HD1 TRP 100 HD1 TRP 100 -5.696 -10.821 -9.598 337 HE1 TRP 100 HE1 TRP 100 -7.587 -10.032 -8.065 338 HE3 TRP 100 HE3 TRP 100 -7.584 -7.150 -12.554 339 HZ2 TRP 100 HZ2 TRP 100 -9.647 -8.095 -8.129 340 HZ3 TRP 100 HZ3 TRP 100 -9.521 -5.871 -11.767 341 HH2 TRP 100 HH2 TRP 100 -10.540 -6.337 -9.594 No H/Q in entry = 341
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