NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4007 | 1eit | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1H GLU 1 9.670 -10.645 2.390 2 2H GLU 1 2H GLU 1 10.353 -11.041 3.822 3 HA GLU 1 HA GLU 1 8.641 -9.398 4.150 4 1HB GLU 1 1HB GLU 1 11.539 -8.379 4.591 5 2HB GLU 1 2HB GLU 1 10.137 -7.576 5.259 6 1HG GLU 1 1HG GLU 1 10.956 -10.472 5.935 7 2HG GLU 1 2HG GLU 1 11.347 -9.056 6.891 8 HE1 GLU 1 HE2 GLU 1 8.189 -8.616 8.261 9 H CYS 2 H CYS 2 7.475 -8.140 2.852 10 HA CYS 2 HA CYS 2 8.653 -6.560 0.591 11 1HB CYS 2 1HB CYS 2 5.673 -6.527 1.331 12 2HB CYS 2 2HB CYS 2 6.373 -6.681 -0.250 13 H VAL 3 H VAL 3 6.176 -4.710 1.096 14 HA VAL 3 HA VAL 3 7.163 -3.015 3.458 15 HB VAL 3 HB VAL 3 5.255 -2.186 1.219 16 1HG1 VAL 3 1HG2 VAL 3 6.422 -0.548 3.625 17 2HG1 VAL 3 2HG2 VAL 3 5.498 0.184 2.300 18 3HG1 VAL 3 3HG2 VAL 3 4.732 -0.991 3.364 19 1HG2 VAL 3 2HG1 VAL 3 7.630 -2.227 0.327 20 2HG2 VAL 3 3HG1 VAL 3 7.036 -0.564 0.447 21 3HG2 VAL 3 1HG1 VAL 3 8.174 -1.195 1.666 22 HA PRO 4 HA PRO 4 3.152 -5.276 4.757 23 1HB PRO 4 1HB PRO 4 4.120 -3.954 7.463 24 2HB PRO 4 2HB PRO 4 3.325 -5.538 7.260 25 1HG PRO 4 1HG PRO 4 5.958 -5.614 7.494 26 2HG PRO 4 2HG PRO 4 5.048 -6.386 6.130 27 1HD PRO 4 1HD PRO 4 6.412 -3.526 6.067 28 2HD PRO 4 2HD PRO 4 6.913 -4.931 5.064 29 H GLU 5 H GLU 5 1.532 -4.518 6.516 30 HA GLU 5 HA GLU 5 -0.109 -2.265 5.485 31 1HB GLU 5 1HB GLU 5 -1.049 -4.171 6.237 32 2HB GLU 5 2HB GLU 5 -0.121 -4.173 7.738 33 1HG GLU 5 1HG GLU 5 -1.151 -2.717 8.741 34 2HG GLU 5 2HG GLU 5 -2.099 -1.951 7.430 35 HE1 GLU 5 HE2 GLU 5 -3.489 -5.156 9.468 36 H ASN 6 H ASN 6 -0.414 -0.543 6.191 37 HA ASN 6 HA ASN 6 0.051 1.743 6.765 38 1HB ASN 6 1HB ASN 6 0.438 2.304 9.089 39 2HB ASN 6 2HB ASN 6 -0.642 0.957 9.085 40 1HD2 ASN 6 1HD2 ASN 6 1.418 -0.713 11.491 41 2HD2 ASN 6 2HD2 ASN 6 -0.208 -0.485 10.674 42 H GLY 7 H GLY 7 2.486 -0.337 6.069 43 1HA GLY 7 1HA GLY 7 4.928 1.415 6.292 44 2HA GLY 7 2HA GLY 7 4.801 0.026 5.342 45 H HIS 8 H HIS 8 5.464 2.657 4.898 46 HA HIS 8 HA HIS 8 3.432 3.918 3.052 47 1HB HIS 8 1HB HIS 8 6.258 4.958 3.794 48 2HB HIS 8 2HB HIS 8 5.113 5.834 2.800 49 HD2 HIS 8 HD2 HIS 8 2.612 6.518 4.066 50 HE1 HIS 8 HE1 HIS 8 4.140 6.359 7.923 51 HE2 HIS 8 HE2 HIS 8 2.107 7.170 6.577 52 H CYS 9 H CYS 9 3.339 3.568 0.823 53 HA CYS 9 HA CYS 9 5.775 2.123 -0.388 54 1HB CYS 9 1HB CYS 9 4.197 0.532 -1.235 55 2HB CYS 9 2HB CYS 9 3.905 0.606 0.477 56 H ARG 10 H ARG 10 4.232 1.769 -2.836 57 HA ARG 10 HA ARG 10 3.750 4.253 -4.206 58 1HB ARG 10 1HB ARG 10 6.651 3.672 -3.844 59 2HB ARG 10 2HB ARG 10 6.290 3.511 -5.526 60 1HG ARG 10 1HG ARG 10 5.577 6.020 -3.884 61 2HG ARG 10 2HG ARG 10 7.096 5.761 -4.733 62 1HD ARG 10 1HD ARG 10 5.769 5.455 -6.924 63 2HD ARG 10 2HD ARG 10 4.307 5.945 -6.053 64 1HH1 ARG 10 2HH2 ARG 10 4.844 6.671 -8.493 65 2HH1 ARG 10 1HH2 ARG 10 5.054 8.292 -9.327 66 1HH2 ARG 10 1HH1 ARG 10 6.366 9.814 -6.535 67 2HH2 ARG 10 2HH1 ARG 10 5.857 9.947 -8.293 68 H ASP 11 H ASP 11 2.366 3.250 -5.525 69 HA ASP 11 HA ASP 11 2.615 0.428 -6.519 70 1HB ASP 11 1HB ASP 11 0.442 1.807 -5.939 71 2HB ASP 11 2HB ASP 11 0.672 2.661 -7.456 72 HD1 ASP 11 HD2 ASP 11 -0.653 -1.175 -7.238 73 H TRP 12 H TRP 12 4.817 1.403 -7.238 74 HA TRP 12 HA TRP 12 5.126 1.412 -10.215 75 1HB TRP 12 1HB TRP 12 5.872 3.938 -8.572 76 2HB TRP 12 2HB TRP 12 6.435 3.628 -10.188 77 HD1 TRP 12 HD1 TRP 12 3.307 4.858 -8.273 78 HE1 TRP 12 HE1 TRP 12 1.569 5.971 -9.912 79 HE3 TRP 12 HE3 TRP 12 5.564 3.359 -12.600 80 HZ2 TRP 12 HZ2 TRP 12 1.348 6.056 -12.764 81 HZ3 TRP 12 HZ3 TRP 12 4.525 3.967 -14.762 82 HH2 TRP 12 HH2 TRP 12 2.452 5.292 -14.842 83 H TYR 13 H TYR 13 6.681 2.229 -7.032 84 HA TYR 13 HA TYR 13 9.296 0.862 -7.919 85 1HB TYR 13 1HB TYR 13 9.033 3.282 -6.010 86 2HB TYR 13 2HB TYR 13 10.503 2.583 -6.625 87 HD1 TYR 13 HD2 TYR 13 10.732 2.600 -9.358 88 HD2 TYR 13 HD1 TYR 13 8.164 5.208 -7.095 89 HE1 TYR 13 HE2 TYR 13 10.596 4.141 -11.268 90 HE2 TYR 13 HE1 TYR 13 8.034 6.735 -9.010 91 HH TYR 13 HH TYR 13 8.651 7.127 -11.101 92 H ASP 14 H ASP 14 7.702 1.963 -4.819 93 HA ASP 14 HA ASP 14 9.137 -0.228 -3.306 94 1HB ASP 14 1HB ASP 14 7.240 2.007 -2.312 95 2HB ASP 14 2HB ASP 14 8.051 0.855 -1.278 96 HD2 ASP 14 HD2 ASP 14 9.980 4.052 -2.720 97 H GLU 15 H GLU 15 8.252 -2.164 -3.395 98 HA GLU 15 HA GLU 15 5.369 -2.596 -4.073 99 1HB GLU 15 1HB GLU 15 7.366 -3.812 -5.105 100 2HB GLU 15 2HB GLU 15 7.660 -4.626 -3.572 101 1HG GLU 15 1HG GLU 15 5.375 -5.724 -3.742 102 2HG GLU 15 2HG GLU 15 5.058 -4.858 -5.242 103 HE1 GLU 15 HE2 GLU 15 7.063 -6.864 -7.229 104 H CYS 16 H CYS 16 3.799 -2.730 -2.602 105 HA CYS 16 HA CYS 16 4.193 -3.639 0.182 106 1HB CYS 16 1HB CYS 16 2.361 -2.093 -0.542 107 2HB CYS 16 2HB CYS 16 1.434 -3.386 -1.302 108 H CYS 17 H CYS 17 3.262 -5.409 1.060 109 HA CYS 17 HA CYS 17 4.064 -7.951 -0.281 110 1HB CYS 17 1HB CYS 17 2.558 -7.388 2.314 111 2HB CYS 17 2HB CYS 17 2.485 -9.024 1.692 112 H GLU 18 H GLU 18 2.695 -9.878 -0.490 113 HA GLU 18 HA GLU 18 0.140 -9.471 -2.088 114 1HB GLU 18 1HB GLU 18 0.403 -11.756 -2.871 115 2HB GLU 18 2HB GLU 18 1.830 -10.814 -3.233 116 1HG GLU 18 1HG GLU 18 2.924 -11.917 -1.122 117 2HG GLU 18 2HG GLU 18 1.527 -12.989 -1.089 118 HE1 GLU 18 HE2 GLU 18 4.427 -13.417 -3.870 119 H GLY 19 H GLY 19 -0.907 -9.036 -0.593 120 1HA GLY 19 1HA GLY 19 -2.723 -10.439 0.910 121 2HA GLY 19 2HA GLY 19 -1.392 -10.291 2.085 122 H PHE 20 H PHE 20 -0.816 -7.549 0.738 123 HA PHE 20 HA PHE 20 -3.273 -5.934 1.458 124 1HB PHE 20 1HB PHE 20 -0.690 -4.595 2.246 125 2HB PHE 20 2HB PHE 20 -2.284 -4.275 2.759 126 HD1 PHE 20 HD1 PHE 20 -3.424 -5.753 4.552 127 HD2 PHE 20 HD2 PHE 20 0.779 -5.976 3.655 128 HE1 PHE 20 HE1 PHE 20 -3.023 -6.895 6.683 129 HE2 PHE 20 HE2 PHE 20 1.163 -7.105 5.800 130 HZ PHE 20 HZ PHE 20 -0.727 -7.517 7.340 131 H TYR 21 H TYR 21 -3.539 -4.596 -0.107 132 HA TYR 21 HA TYR 21 -1.623 -4.426 -2.496 133 1HB TYR 21 1HB TYR 21 -3.419 -3.572 -3.809 134 2HB TYR 21 2HB TYR 21 -4.025 -4.947 -2.963 135 HD1 TYR 21 HD2 TYR 21 -4.305 -1.266 -3.371 136 HD2 TYR 21 HD1 TYR 21 -5.873 -4.669 -1.260 137 HE1 TYR 21 HE2 TYR 21 -6.302 0.025 -2.763 138 HE2 TYR 21 HE1 TYR 21 -7.881 -3.368 -0.674 139 HH TYR 21 HH TYR 21 -8.253 0.019 -1.701 140 H CYS 22 H CYS 22 -0.578 -2.586 -3.092 141 HA CYS 22 HA CYS 22 -0.204 -0.482 -1.112 142 1HB CYS 22 1HB CYS 22 1.605 -1.335 -2.636 143 2HB CYS 22 2HB CYS 22 0.772 -0.703 -4.053 144 H SER 23 H SER 23 -2.006 0.517 -0.825 145 HA SER 23 HA SER 23 -3.721 1.972 -2.838 146 1HB SER 23 1HB SER 23 -4.625 1.093 -0.681 147 2HB SER 23 2HB SER 23 -3.565 2.251 0.229 148 HG SER 23 HG SER 23 -4.669 3.922 -0.856 149 H CYS 24 H CYS 24 -2.758 3.631 -3.908 150 HA CYS 24 HA CYS 24 -0.864 5.542 -2.416 151 1HB CYS 24 1HB CYS 24 -0.870 4.857 -5.408 152 2HB CYS 24 2HB CYS 24 0.189 6.010 -4.543 153 H ARG 25 H ARG 25 -2.676 6.522 -1.714 154 HA ARG 25 HA ARG 25 -4.953 7.642 -2.925 155 1HB ARG 25 1HB ARG 25 -3.249 8.967 -0.694 156 2HB ARG 25 2HB ARG 25 -4.911 9.404 -1.053 157 1HG ARG 25 1HG ARG 25 -5.722 7.131 -0.417 158 2HG ARG 25 2HG ARG 25 -4.068 6.582 -0.145 159 1HD ARG 25 1HD ARG 25 -3.792 8.367 1.662 160 2HD ARG 25 2HD ARG 25 -5.480 8.816 1.468 161 1HH1 ARG 25 2HH2 ARG 25 -7.343 7.884 1.574 162 2HH1 ARG 25 1HH2 ARG 25 -8.363 6.743 2.587 163 1HH2 ARG 25 1HH1 ARG 25 -5.635 5.064 3.850 164 2HH2 ARG 25 2HH1 ARG 25 -7.459 5.255 3.788 165 H GLN 26 H GLN 26 -1.909 9.464 -2.628 166 HA GLN 26 HA GLN 26 -2.423 10.763 -5.302 167 1HB GLN 26 1HB GLN 26 -3.385 12.375 -3.550 168 2HB GLN 26 2HB GLN 26 -1.790 12.581 -2.870 169 1HG GLN 26 1HG GLN 26 -2.650 13.247 -5.769 170 2HG GLN 26 2HG GLN 26 -2.587 14.397 -4.452 171 1HE2 GLN 26 2HE2 GLN 26 0.728 14.168 -6.584 172 2HE2 GLN 26 1HE2 GLN 26 -0.967 13.703 -7.111 173 HA PRO 27 HA PRO 27 1.844 8.919 -4.625 174 1HB PRO 27 1HB PRO 27 2.052 9.706 -7.602 175 2HB PRO 27 2HB PRO 27 2.622 8.219 -6.810 176 1HG PRO 27 1HG PRO 27 0.286 8.171 -8.191 177 2HG PRO 27 2HG PRO 27 0.371 7.349 -6.617 178 1HD PRO 27 1HD PRO 27 -0.881 10.071 -7.248 179 2HD PRO 27 2HD PRO 27 -1.471 8.777 -6.163 180 HA PRO 28 HA PRO 28 4.189 8.794 -4.465 181 1HB PRO 28 1HB PRO 28 6.197 9.576 -2.726 182 2HB PRO 28 2HB PRO 28 6.292 9.865 -4.464 183 1HG PRO 28 1HG PRO 28 5.387 11.845 -2.305 184 2HG PRO 28 2HG PRO 28 6.616 12.098 -3.571 185 1HD PRO 28 1HD PRO 28 3.991 12.937 -3.892 186 2HD PRO 28 2HD PRO 28 4.951 12.351 -5.282 187 H LYS 29 H LYS 29 2.262 10.685 -2.254 188 HA LYS 29 HA LYS 29 2.908 9.053 0.168 189 1HB LYS 29 1HB LYS 29 0.947 10.072 1.220 190 2HB LYS 29 2HB LYS 29 2.031 11.261 0.566 191 1HG LYS 29 1HG LYS 29 0.528 11.912 -1.178 192 2HG LYS 29 2HG LYS 29 -0.533 10.522 -0.970 193 1HD LYS 29 1HD LYS 29 -0.131 12.730 1.149 194 2HD LYS 29 2HD LYS 29 -1.377 12.758 -0.094 195 1HE LYS 29 1HE LYS 29 -2.359 10.593 0.797 196 2HE LYS 29 2HE LYS 29 -1.142 10.564 2.078 197 1HZ LYS 29 1HZ LYS 29 -1.993 12.709 2.843 198 2HZ LYS 29 2HZ LYS 29 -3.120 12.734 1.659 199 H CYS 30 H CYS 30 2.242 7.202 0.643 200 HA CYS 30 HA CYS 30 -0.251 5.803 -0.368 201 1HB CYS 30 1HB CYS 30 1.945 5.515 -1.973 202 2HB CYS 30 2HB CYS 30 2.315 4.316 -0.792 203 H ILE 31 H ILE 31 -0.228 3.757 0.406 204 HA ILE 31 HA ILE 31 1.528 2.757 2.553 205 HB ILE 31 HB ILE 31 -0.411 2.032 4.314 206 1HG1 ILE 31 1HG1 ILE 31 -1.781 4.600 3.315 207 2HG1 ILE 31 2HG1 ILE 31 -2.175 2.956 2.746 208 1HG2 ILE 31 2HG2 ILE 31 1.507 3.413 4.848 209 2HG2 ILE 31 3HG2 ILE 31 0.612 4.903 4.365 210 3HG2 ILE 31 1HG2 ILE 31 0.055 3.855 5.717 211 1HD1 ILE 31 2HD1 ILE 31 -2.640 2.134 5.019 212 2HD1 ILE 31 3HD1 ILE 31 -2.274 3.731 5.713 213 3HD1 ILE 31 1HD1 ILE 31 -3.681 3.525 4.623 214 H CYS 32 H CYS 32 0.664 0.686 3.410 215 HA CYS 32 HA CYS 32 -0.442 -1.097 1.325 216 1HB CYS 32 1HB CYS 32 0.849 -1.301 4.027 217 2HB CYS 32 2HB CYS 32 0.151 -2.679 3.320 218 H ARG 33 H ARG 33 -2.082 -1.889 1.611 219 HA ARG 33 HA ARG 33 -4.258 -1.276 3.743 220 1HB ARG 33 1HB ARG 33 -4.377 0.672 2.279 221 2HB ARG 33 2HB ARG 33 -4.107 -0.326 0.831 222 1HG ARG 33 1HG ARG 33 -6.313 0.528 0.817 223 2HG ARG 33 2HG ARG 33 -6.267 -1.220 0.855 224 1HD ARG 33 1HD ARG 33 -6.750 -1.025 3.453 225 2HD ARG 33 2HD ARG 33 -7.099 0.683 3.155 226 1HH1 ARG 33 2HH2 ARG 33 -8.352 -1.301 4.681 227 2HH1 ARG 33 1HH2 ARG 33 -10.060 -1.972 4.726 228 1HH2 ARG 33 1HH1 ARG 33 -10.655 -1.295 1.403 229 2HH2 ARG 33 2HH1 ARG 33 -11.273 -1.967 2.995 230 H ASN 34 H ASN 34 -5.365 -2.998 4.203 231 HA ASN 34 HA ASN 34 -5.015 -5.565 2.883 232 1HB ASN 34 1HB ASN 34 -5.617 -5.084 5.369 233 2HB ASN 34 2HB ASN 34 -7.249 -4.708 4.870 234 1HD2 ASN 34 1HD2 ASN 34 -6.068 -8.669 5.061 235 2HD2 ASN 34 2HD2 ASN 34 -4.838 -7.307 5.083 236 H ASN 35 H ASN 35 -6.115 -6.670 1.467 237 HA ASN 35 HA ASN 35 -8.476 -5.530 -0.067 238 1HB ASN 35 1HB ASN 35 -8.354 -7.639 -1.398 239 2HB ASN 35 2HB ASN 35 -6.919 -6.679 -1.460 240 1HD2 ASN 35 1HD2 ASN 35 -4.827 -9.394 -0.396 241 2HD2 ASN 35 2HD2 ASN 35 -4.965 -7.633 -0.892 242 H ASN 36 H ASN 36 -10.405 -5.725 0.697 243 HA ASN 36 HA ASN 36 -11.166 -7.932 2.713 244 1HB ASN 36 1HB ASN 36 -12.153 -5.011 2.484 245 2HB ASN 36 2HB ASN 36 -12.898 -6.211 3.511 246 1HD2 ASN 36 1HD2 ASN 36 -10.379 -5.935 6.075 247 2HD2 ASN 36 2HD2 ASN 36 -11.824 -6.865 5.430 248 1HN NH2 37 1HN NH2 37 -12.393 -9.613 1.603 249 2HN NH2 37 2HN NH2 37 -13.693 -9.250 0.448 No H/Q in entry = 249 Start of MODEL 2 1 1H GLU 1 1H GLU 1 11.476 -7.167 -1.960 2 2H GLU 1 2H GLU 1 10.389 -5.950 -2.063 3 HA GLU 1 HA GLU 1 10.672 -7.828 0.217 4 1HB GLU 1 1HB GLU 1 12.533 -6.078 -0.128 5 2HB GLU 1 2HB GLU 1 11.327 -4.804 -0.019 6 1HG GLU 1 1HG GLU 1 10.769 -5.651 2.368 7 2HG GLU 1 2HG GLU 1 12.072 -6.822 2.206 8 HE2 GLU 1 HE2 GLU 1 12.792 -3.076 3.285 9 H CYS 2 H CYS 2 8.845 -8.039 1.288 10 HA CYS 2 HA CYS 2 6.490 -6.337 0.769 11 1HB CYS 2 1HB CYS 2 5.452 -7.831 1.487 12 2HB CYS 2 2HB CYS 2 6.342 -8.939 1.253 13 H VAL 3 H VAL 3 5.493 -5.361 1.936 14 HA VAL 3 HA VAL 3 6.304 -4.079 4.638 15 HB VAL 3 HB VAL 3 5.107 -2.716 2.162 16 1HG1 VAL 3 1HG2 VAL 3 4.352 -1.482 4.220 17 2HG1 VAL 3 2HG2 VAL 3 6.017 -1.344 4.814 18 3HG1 VAL 3 3HG2 VAL 3 5.505 -0.483 3.349 19 1HG2 VAL 3 2HG1 VAL 3 7.558 -3.146 1.774 20 2HG2 VAL 3 3HG1 VAL 3 7.287 -1.414 1.984 21 3HG2 VAL 3 1HG1 VAL 3 7.978 -2.374 3.318 22 HA PRO 4 HA PRO 4 1.642 -5.037 4.943 23 1HB PRO 4 1HB PRO 4 1.335 -5.534 7.564 24 2HB PRO 4 2HB PRO 4 2.349 -6.641 6.620 25 1HG PRO 4 1HG PRO 4 3.315 -4.134 8.168 26 2HG PRO 4 2HG PRO 4 3.602 -5.816 8.496 27 1HD PRO 4 1HD PRO 4 5.312 -4.223 6.807 28 2HD PRO 4 2HD PRO 4 5.076 -5.956 6.391 29 H GLU 5 H GLU 5 0.323 -4.083 7.080 30 HA GLU 5 HA GLU 5 -0.588 -1.722 5.853 31 1HB GLU 5 1HB GLU 5 -1.638 -3.473 7.516 32 2HB GLU 5 2HB GLU 5 -1.120 -2.509 8.819 33 1HG GLU 5 1HG GLU 5 -2.741 -1.912 6.314 34 2HG GLU 5 2HG GLU 5 -3.550 -2.388 7.750 35 HE1 GLU 5 HE2 GLU 5 -3.465 0.657 9.447 36 H ASN 6 H ASN 6 -0.972 0.138 6.501 37 HA ASN 6 HA ASN 6 -0.040 2.408 6.540 38 1HB ASN 6 1HB ASN 6 0.394 3.226 8.897 39 2HB ASN 6 2HB ASN 6 -1.086 2.359 8.727 40 1HD2 ASN 6 1HD2 ASN 6 -0.228 -0.217 11.022 41 2HD2 ASN 6 2HD2 ASN 6 -1.466 0.692 10.056 42 H GLY 7 H GLY 7 2.070 0.139 6.073 43 1HA GLY 7 1HA GLY 7 4.661 1.665 6.501 44 2HA GLY 7 2HA GLY 7 4.535 0.172 5.734 45 H HIS 8 H HIS 8 5.394 2.708 5.032 46 HA HIS 8 HA HIS 8 3.643 3.885 2.906 47 1HB HIS 8 1HB HIS 8 6.577 4.613 3.581 48 2HB HIS 8 2HB HIS 8 5.574 5.519 2.471 49 HD2 HIS 8 HD2 HIS 8 2.816 5.813 4.219 50 HE1 HIS 8 HE1 HIS 8 5.250 7.700 7.005 51 HE2 HIS 8 HE2 HIS 8 2.789 7.419 6.322 52 H CYS 9 H CYS 9 3.635 3.538 0.637 53 HA CYS 9 HA CYS 9 6.008 1.919 -0.465 54 1HB CYS 9 2HB CYS 9 4.355 0.560 -1.602 55 2HB CYS 9 1HB CYS 9 4.185 0.372 0.125 56 H ARG 10 H ARG 10 6.778 4.108 -1.193 57 HA ARG 10 HA ARG 10 5.079 5.470 -3.245 58 1HB ARG 10 1HB ARG 10 7.434 6.503 -1.562 59 2HB ARG 10 2HB ARG 10 6.323 7.446 -2.537 60 1HG ARG 10 1HG ARG 10 4.494 7.042 -0.816 61 2HG ARG 10 2HG ARG 10 5.655 6.131 0.138 62 1HD ARG 10 1HD ARG 10 5.816 8.294 1.057 63 2HD ARG 10 2HD ARG 10 7.257 8.155 0.031 64 1HH1 ARG 10 2HH2 ARG 10 7.152 10.177 1.319 65 2HH1 ARG 10 1HH2 ARG 10 7.026 11.973 0.963 66 1HH2 ARG 10 1HH1 ARG 10 5.129 11.504 -1.873 67 2HH2 ARG 10 2HH1 ARG 10 5.956 12.671 -0.725 68 H ASP 11 H ASP 11 7.090 6.850 -3.911 69 HA ASP 11 HA ASP 11 8.883 5.225 -5.827 70 1HB ASP 11 1HB ASP 11 7.562 7.391 -6.523 71 2HB ASP 11 2HB ASP 11 8.675 8.323 -5.539 72 HD2 ASP 11 HD2 ASP 11 10.949 8.581 -8.082 73 H TRP 12 H TRP 12 9.540 4.836 -3.269 74 HA TRP 12 HA TRP 12 12.363 5.863 -2.837 75 1HB TRP 12 1HB TRP 12 10.169 6.637 -0.770 76 2HB TRP 12 2HB TRP 12 11.882 6.900 -0.569 77 HD1 TRP 12 HD1 TRP 12 8.760 8.517 -2.022 78 HE1 TRP 12 HE1 TRP 12 9.242 10.843 -3.153 79 HE3 TRP 12 HE3 TRP 12 13.843 8.079 -2.063 80 HZ2 TRP 12 HZ2 TRP 12 11.649 12.161 -3.961 81 HZ3 TRP 12 HZ3 TRP 12 15.185 9.880 -3.100 82 HH2 TRP 12 HH2 TRP 12 14.106 11.887 -4.034 83 H TYR 13 H TYR 13 9.562 4.225 -1.165 84 HA TYR 13 HA TYR 13 11.467 2.802 0.717 85 1HB TYR 13 1HB TYR 13 8.377 2.998 0.561 86 2HB TYR 13 2HB TYR 13 9.241 2.155 1.812 87 HD1 TYR 13 HD1 TYR 13 10.533 3.395 3.578 88 HD2 TYR 13 HD2 TYR 13 8.193 5.481 0.629 89 HE1 TYR 13 HE1 TYR 13 10.511 5.399 5.000 90 HE2 TYR 13 HE2 TYR 13 8.190 7.481 2.063 91 HH TYR 13 HH TYR 13 9.809 7.493 5.230 92 H ASP 14 H ASP 14 8.630 1.024 0.054 93 HA ASP 14 HA ASP 14 9.882 -0.993 -1.804 94 1HB ASP 14 1HB ASP 14 9.622 -1.542 1.250 95 2HB ASP 14 2HB ASP 14 9.715 -2.841 0.086 96 HD1 ASP 14 HD2 ASP 14 13.066 -2.389 -0.754 97 H GLU 15 H GLU 15 8.497 -2.872 -2.070 98 HA GLU 15 HA GLU 15 5.743 -2.008 -2.633 99 1HB GLU 15 1HB GLU 15 7.101 -4.794 -2.862 100 2HB GLU 15 2HB GLU 15 5.491 -4.440 -3.469 101 1HG GLU 15 1HG GLU 15 6.409 -2.691 -5.036 102 2HG GLU 15 2HG GLU 15 8.041 -3.028 -4.468 103 HE1 GLU 15 HE2 GLU 15 6.131 -5.518 -7.007 104 H CYS 16 H CYS 16 3.754 -2.692 -1.857 105 HA CYS 16 HA CYS 16 3.565 -3.713 0.883 106 1HB CYS 16 1HB CYS 16 1.390 -3.225 -1.253 107 2HB CYS 16 2HB CYS 16 1.042 -3.520 0.399 108 H CYS 17 H CYS 17 2.675 -5.467 1.475 109 HA CYS 17 HA CYS 17 3.812 -7.974 0.525 110 1HB CYS 17 1HB CYS 17 1.404 -7.410 2.432 111 2HB CYS 17 2HB CYS 17 2.318 -8.934 2.416 112 H GLU 18 H GLU 18 2.580 -10.061 0.521 113 HA GLU 18 HA GLU 18 0.638 -10.158 -1.825 114 1HB GLU 18 1HB GLU 18 2.430 -12.345 -0.565 115 2HB GLU 18 2HB GLU 18 1.125 -12.697 -1.692 116 1HG GLU 18 1HG GLU 18 2.157 -11.246 -3.448 117 2HG GLU 18 2HG GLU 18 3.480 -10.827 -2.366 118 HE1 GLU 18 HE2 GLU 18 5.179 -13.832 -2.684 119 H GLY 19 H GLY 19 -0.848 -9.462 -0.719 120 1HA GLY 19 1HA GLY 19 -3.054 -10.600 0.289 121 2HA GLY 19 2HA GLY 19 -2.088 -10.662 1.776 122 H PHE 20 H PHE 20 -0.956 -7.926 0.448 123 HA PHE 20 HA PHE 20 -3.304 -6.099 1.171 124 1HB PHE 20 1HB PHE 20 -0.395 -5.293 1.730 125 2HB PHE 20 2HB PHE 20 -1.780 -4.333 1.938 126 HD1 PHE 20 HD2 PHE 20 -0.525 -7.687 3.341 127 HD2 PHE 20 HD1 PHE 20 -2.630 -4.010 4.092 128 HE1 PHE 20 HE2 PHE 20 -0.798 -8.304 5.694 129 HE2 PHE 20 HE1 PHE 20 -3.037 -4.723 6.385 130 HZ PHE 20 HZ PHE 20 -2.066 -6.817 7.228 131 H TYR 21 H TYR 21 -3.448 -4.478 -0.139 132 HA TYR 21 HA TYR 21 -1.829 -4.320 -2.764 133 1HB TYR 21 1HB TYR 21 -3.637 -3.294 -3.872 134 2HB TYR 21 2HB TYR 21 -4.290 -4.697 -3.112 135 HD1 TYR 21 HD2 TYR 21 -4.377 -1.001 -3.251 136 HD2 TYR 21 HD1 TYR 21 -5.998 -4.432 -1.227 137 HE1 TYR 21 HE2 TYR 21 -6.261 0.352 -2.449 138 HE2 TYR 21 HE1 TYR 21 -7.904 -3.080 -0.475 139 HH TYR 21 HH TYR 21 -8.151 0.379 -1.282 140 H CYS 22 H CYS 22 -0.716 -2.486 -3.161 141 HA CYS 22 HA CYS 22 -0.239 -0.536 -1.035 142 1HB CYS 22 1HB CYS 22 1.507 -1.317 -2.646 143 2HB CYS 22 2HB CYS 22 0.629 -0.644 -4.013 144 H SER 23 H SER 23 -2.049 0.509 -0.587 145 HA SER 23 HA SER 23 -3.846 1.987 -2.494 146 1HB SER 23 1HB SER 23 -4.628 1.126 -0.273 147 2HB SER 23 2HB SER 23 -3.496 2.277 0.558 148 HG SER 23 HG SER 23 -4.659 3.950 -0.480 149 H CYS 24 H CYS 24 -3.063 3.693 -3.583 150 HA CYS 24 HA CYS 24 -0.941 5.509 -2.304 151 1HB CYS 24 1HB CYS 24 -1.422 4.897 -5.273 152 2HB CYS 24 2HB CYS 24 -0.226 6.030 -4.590 153 H ARG 25 H ARG 25 -2.683 6.445 -1.277 154 HA ARG 25 HA ARG 25 -5.066 7.610 -2.262 155 1HB ARG 25 1HB ARG 25 -5.148 8.880 -0.120 156 2HB ARG 25 2HB ARG 25 -4.631 7.236 0.118 157 1HG ARG 25 1HG ARG 25 -2.196 8.092 0.317 158 2HG ARG 25 2HG ARG 25 -2.813 9.733 0.271 159 1HD ARG 25 1HD ARG 25 -3.597 7.607 2.373 160 2HD ARG 25 2HD ARG 25 -2.327 8.815 2.579 161 1HH1 ARG 25 2HH2 ARG 25 -3.486 8.304 4.602 162 2HH1 ARG 25 1HH2 ARG 25 -4.545 9.216 5.791 163 1HH2 ARG 25 1HH1 ARG 25 -5.915 11.240 3.364 164 2HH2 ARG 25 2HH1 ARG 25 -5.827 10.766 5.134 165 H GLN 26 H GLN 26 -2.071 9.507 -1.840 166 HA GLN 26 HA GLN 26 -3.054 11.407 -4.052 167 1HB GLN 26 1HB GLN 26 -1.635 12.312 -1.469 168 2HB GLN 26 2HB GLN 26 -1.807 13.307 -2.897 169 1HG GLN 26 1HG GLN 26 -4.149 12.224 -1.204 170 2HG GLN 26 2HG GLN 26 -3.455 13.825 -1.086 171 1HE2 GLN 26 2HE2 GLN 26 -6.366 13.359 -3.811 172 2HE2 GLN 26 1HE2 GLN 26 -5.948 12.140 -2.504 173 HA PRO 27 HA PRO 27 0.828 8.944 -4.915 174 1HB PRO 27 1HB PRO 27 0.249 9.994 -7.762 175 2HB PRO 27 2HB PRO 27 0.788 8.371 -7.275 176 1HG PRO 27 1HG PRO 27 -1.834 8.773 -7.832 177 2HG PRO 27 2HG PRO 27 -1.406 7.816 -6.393 178 1HD PRO 27 1HD PRO 27 -2.297 10.747 -6.504 179 2HD PRO 27 2HD PRO 27 -2.768 9.460 -5.357 180 HA PRO 28 HA PRO 28 3.002 8.373 -5.507 181 1HB PRO 28 1HB PRO 28 5.565 8.601 -4.508 182 2HB PRO 28 2HB PRO 28 5.162 9.001 -6.180 183 1HG PRO 28 1HG PRO 28 5.452 10.939 -3.828 184 2HG PRO 28 2HG PRO 28 6.220 11.050 -5.430 185 1HD PRO 28 1HD PRO 28 3.875 12.414 -4.817 186 2HD PRO 28 2HD PRO 28 4.185 11.794 -6.465 187 H LYS 29 H LYS 29 2.241 10.449 -2.905 188 HA LYS 29 HA LYS 29 3.181 8.922 -0.609 189 1HB LYS 29 1HB LYS 29 1.954 11.386 -0.921 190 2HB LYS 29 2HB LYS 29 0.542 10.496 -0.427 191 1HG LYS 29 1HG LYS 29 3.219 10.785 1.084 192 2HG LYS 29 2HG LYS 29 1.746 11.682 1.407 193 1HD LYS 29 1HD LYS 29 0.579 9.534 2.083 194 2HD LYS 29 2HD LYS 29 2.068 8.637 1.828 195 1HE LYS 29 1HE LYS 29 1.741 10.932 3.873 196 2HE LYS 29 2HE LYS 29 1.618 9.213 4.245 197 1HZ LYS 29 1HZ LYS 29 3.790 10.024 4.759 198 2HZ LYS 29 2HZ LYS 29 3.902 8.913 3.565 199 H CYS 30 H CYS 30 2.638 7.027 0.058 200 HA CYS 30 HA CYS 30 -0.111 5.763 -0.435 201 1HB CYS 30 1HB CYS 30 2.012 5.285 -2.182 202 2HB CYS 30 2HB CYS 30 2.317 4.097 -0.985 203 H ILE 31 H ILE 31 -0.143 3.786 0.394 204 HA ILE 31 HA ILE 31 1.590 2.895 2.682 205 HB ILE 31 HB ILE 31 -0.385 2.226 4.306 206 1HG1 ILE 31 1HG1 ILE 31 -1.978 4.476 2.921 207 2HG1 ILE 31 2HG1 ILE 31 -2.130 2.758 2.500 208 1HG2 ILE 31 3HG2 ILE 31 0.281 5.209 4.049 209 2HG2 ILE 31 1HG2 ILE 31 -0.375 4.343 5.476 210 3HG2 ILE 31 2HG2 ILE 31 1.229 3.924 4.895 211 1HD1 ILE 31 3HD1 ILE 31 -2.716 2.110 4.803 212 2HD1 ILE 31 1HD1 ILE 31 -2.627 3.808 5.335 213 3HD1 ILE 31 2HD1 ILE 31 -3.863 3.300 4.143 214 H CYS 32 H CYS 32 0.707 0.705 3.527 215 HA CYS 32 HA CYS 32 -0.317 -1.022 1.350 216 1HB CYS 32 1HB CYS 32 0.850 -1.496 4.081 217 2HB CYS 32 2HB CYS 32 0.485 -2.713 2.945 218 H ARG 33 H ARG 33 -1.951 -2.096 1.712 219 HA ARG 33 HA ARG 33 -4.054 -1.549 3.889 220 1HB ARG 33 1HB ARG 33 -4.193 0.510 2.518 221 2HB ARG 33 2HB ARG 33 -4.073 -0.445 1.019 222 1HG ARG 33 1HG ARG 33 -6.253 0.465 1.236 223 2HG ARG 33 2HG ARG 33 -6.266 -1.286 1.225 224 1HD ARG 33 1HD ARG 33 -6.484 -1.160 3.859 225 2HD ARG 33 2HD ARG 33 -6.775 0.574 3.653 226 1HH1 ARG 33 1HH2 ARG 33 -9.768 -1.554 5.586 227 2HH1 ARG 33 2HH2 ARG 33 -8.022 -1.051 5.333 228 1HH2 ARG 33 1HH1 ARG 33 -10.588 -1.194 2.261 229 2HH2 ARG 33 2HH1 ARG 33 -11.122 -1.628 3.962 230 H ASN 34 H ASN 34 -5.325 -3.192 4.185 231 HA ASN 34 HA ASN 34 -4.930 -5.721 2.777 232 1HB ASN 34 1HB ASN 34 -6.654 -6.605 4.360 233 2HB ASN 34 2HB ASN 34 -5.411 -5.699 5.155 234 1HD2 ASN 34 1HD2 ASN 34 -7.832 -3.624 6.801 235 2HD2 ASN 34 2HD2 ASN 34 -6.110 -4.242 6.659 236 H ASN 35 H ASN 35 -6.179 -6.936 1.506 237 HA ASN 35 HA ASN 35 -8.127 -5.602 -0.353 238 1HB ASN 35 1HB ASN 35 -7.086 -8.526 -0.158 239 2HB ASN 35 2HB ASN 35 -8.241 -7.994 -1.352 240 1HD2 ASN 35 1HD2 ASN 35 -4.333 -7.210 -2.106 241 2HD2 ASN 35 2HD2 ASN 35 -4.888 -8.040 -0.567 242 H ASN 36 H ASN 36 -8.482 -8.648 1.577 243 HA ASN 36 HA ASN 36 -10.310 -9.664 2.699 244 1HB ASN 36 1HB ASN 36 -11.322 -6.731 2.982 245 2HB ASN 36 2HB ASN 36 -12.075 -8.122 3.726 246 1HD2 ASN 36 1HD2 ASN 36 -10.122 -6.893 6.508 247 2HD2 ASN 36 2HD2 ASN 36 -11.701 -6.685 5.596 248 1HN NH2 37 1HN NH2 37 -11.140 -11.022 0.888 249 2HN NH2 37 2HN NH2 37 -12.527 -10.491 -0.088 No H/Q in entry = 249 Start of MODEL 3 1 1H GLU 1 1H GLU 1 10.087 -9.782 5.893 2 2H GLU 1 2H GLU 1 9.420 -8.342 6.287 3 HA GLU 1 HA GLU 1 8.870 -9.872 3.797 4 1HB GLU 1 1HB GLU 1 7.996 -10.847 6.012 5 2HB GLU 1 2HB GLU 1 7.151 -9.347 6.330 6 1HG GLU 1 1HG GLU 1 5.556 -10.956 5.528 7 2HG GLU 1 2HG GLU 1 5.702 -9.728 4.292 8 HE2 GLU 1 HE2 GLU 1 6.855 -11.880 1.849 9 H CYS 2 H CYS 2 9.057 -8.207 2.372 10 HA CYS 2 HA CYS 2 8.922 -6.160 1.276 11 1HB CYS 2 1HB CYS 2 5.952 -6.394 2.004 12 2HB CYS 2 2HB CYS 2 6.676 -6.186 0.413 13 H VAL 3 H VAL 3 6.600 -4.336 1.584 14 HA VAL 3 HA VAL 3 7.146 -2.855 4.206 15 HB VAL 3 HB VAL 3 5.509 -1.980 1.773 16 1HG1 VAL 3 3HG2 VAL 3 4.742 -0.844 3.903 17 2HG1 VAL 3 1HG2 VAL 3 6.395 -0.341 4.294 18 3HG1 VAL 3 2HG2 VAL 3 5.560 0.348 2.890 19 1HG2 VAL 3 2HG1 VAL 3 7.981 -1.937 1.171 20 2HG2 VAL 3 3HG1 VAL 3 7.340 -0.291 1.280 21 3HG2 VAL 3 1HG1 VAL 3 8.334 -0.952 2.605 22 HA PRO 4 HA PRO 4 2.773 -4.865 4.678 23 1HB PRO 4 1HB PRO 4 2.665 -5.434 7.280 24 2HB PRO 4 2HB PRO 4 3.933 -6.236 6.330 25 1HG PRO 4 1HG PRO 4 4.206 -3.559 7.877 26 2HG PRO 4 2HG PRO 4 4.952 -5.087 8.201 27 1HD PRO 4 1HD PRO 4 6.102 -3.060 6.481 28 2HD PRO 4 2HD PRO 4 6.414 -4.792 6.114 29 H GLU 5 H GLU 5 1.318 -4.188 6.921 30 HA GLU 5 HA GLU 5 -0.078 -1.972 5.750 31 1HB GLU 5 1HB GLU 5 -0.828 -3.978 7.166 32 2HB GLU 5 2HB GLU 5 -0.568 -3.023 8.575 33 1HG GLU 5 1HG GLU 5 -2.088 -2.538 5.959 34 2HG GLU 5 2HG GLU 5 -2.899 -3.243 7.281 35 HE1 GLU 5 HE2 GLU 5 -3.636 -0.470 9.161 36 H ASN 6 H ASN 6 -0.650 -0.179 6.411 37 HA ASN 6 HA ASN 6 -0.158 2.084 6.639 38 1HB ASN 6 1HB ASN 6 1.004 1.516 9.458 39 2HB ASN 6 2HB ASN 6 0.100 2.847 8.755 40 1HD2 ASN 6 1HD2 ASN 6 -2.084 0.168 10.766 41 2HD2 ASN 6 2HD2 ASN 6 -0.251 0.126 10.690 42 H GLY 7 H GLY 7 2.442 0.042 6.356 43 1HA GLY 7 1HA GLY 7 4.756 1.949 6.570 44 2HA GLY 7 2HA GLY 7 4.795 0.452 5.780 45 H HIS 8 H HIS 8 5.390 3.033 5.069 46 HA HIS 8 HA HIS 8 3.455 3.943 2.952 47 1HB HIS 8 1HB HIS 8 6.128 5.266 3.815 48 2HB HIS 8 2HB HIS 8 5.019 5.967 2.657 49 HD2 HIS 8 HD2 HIS 8 2.522 6.856 3.607 50 HE1 HIS 8 HE1 HIS 8 3.534 6.782 7.633 51 HE2 HIS 8 HE2 HIS 8 1.733 7.629 6.008 52 H CYS 9 H CYS 9 3.628 3.537 0.663 53 HA CYS 9 HA CYS 9 6.172 1.946 0.011 54 1HB CYS 9 1HB CYS 9 4.888 0.498 -1.213 55 2HB CYS 9 2HB CYS 9 3.821 0.757 0.126 56 H ARG 10 H ARG 10 6.694 1.831 -2.097 57 HA ARG 10 HA ARG 10 6.089 4.025 -4.050 58 1HB ARG 10 1HB ARG 10 8.182 4.876 -3.114 59 2HB ARG 10 2HB ARG 10 8.938 3.296 -3.132 60 1HG ARG 10 1HG ARG 10 9.901 4.640 -4.871 61 2HG ARG 10 2HG ARG 10 9.063 3.276 -5.589 62 1HD ARG 10 1HD ARG 10 7.110 4.794 -6.192 63 2HD ARG 10 2HD ARG 10 7.964 6.171 -5.467 64 1HH1 ARG 10 2HH2 ARG 10 6.634 6.634 -7.487 65 2HH1 ARG 10 1HH2 ARG 10 6.974 7.210 -9.195 66 1HH2 ARG 10 1HH1 ARG 10 10.069 5.703 -9.325 67 2HH2 ARG 10 2HH1 ARG 10 8.791 6.716 -10.165 68 H ASP 11 H ASP 11 4.965 2.564 -5.156 69 HA ASP 11 HA ASP 11 5.542 -0.319 -5.363 70 1HB ASP 11 1HB ASP 11 3.243 0.964 -5.344 71 2HB ASP 11 2HB ASP 11 3.535 1.353 -7.033 72 HD1 ASP 11 HD2 ASP 11 2.574 -2.399 -5.756 73 H TRP 12 H TRP 12 7.674 0.489 -6.170 74 HA TRP 12 HA TRP 12 8.215 -0.283 -9.044 75 1HB TRP 12 1HB TRP 12 8.925 2.497 -7.855 76 2HB TRP 12 2HB TRP 12 9.722 1.839 -9.253 77 HD1 TRP 12 HD1 TRP 12 6.252 3.297 -8.188 78 HE1 TRP 12 HE1 TRP 12 4.947 4.186 -10.298 79 HE3 TRP 12 HE3 TRP 12 9.453 1.397 -11.685 80 HZ2 TRP 12 HZ2 TRP 12 5.409 3.980 -13.114 81 HZ3 TRP 12 HZ3 TRP 12 8.968 1.777 -14.079 82 HH2 TRP 12 HH2 TRP 12 6.979 3.047 -14.782 83 H TYR 13 H TYR 13 9.637 1.154 -6.035 84 HA TYR 13 HA TYR 13 12.076 -0.713 -6.236 85 1HB TYR 13 1HB TYR 13 11.859 2.066 -4.881 86 2HB TYR 13 2HB TYR 13 13.278 1.057 -4.915 87 HD1 TYR 13 HD2 TYR 13 14.480 0.619 -7.165 88 HD2 TYR 13 HD1 TYR 13 11.286 3.482 -6.810 89 HE1 TYR 13 HE2 TYR 13 15.142 1.637 -9.302 90 HE2 TYR 13 HE1 TYR 13 11.952 4.484 -8.948 91 HH TYR 13 HH TYR 13 14.714 3.210 -10.808 92 H ASP 14 H ASP 14 10.346 1.131 -3.605 93 HA ASP 14 HA ASP 14 10.636 -1.329 -1.767 94 1HB ASP 14 1HB ASP 14 11.785 0.843 -1.121 95 2HB ASP 14 2HB ASP 14 10.241 1.676 -1.125 96 HD1 ASP 14 HD2 ASP 14 11.095 -1.041 1.801 97 H GLU 15 H GLU 15 8.845 -2.290 -2.863 98 HA GLU 15 HA GLU 15 6.137 -0.985 -2.855 99 1HB GLU 15 1HB GLU 15 5.495 -3.024 -4.176 100 2HB GLU 15 2HB GLU 15 6.869 -2.184 -4.815 101 1HG GLU 15 1HG GLU 15 7.373 -4.426 -5.188 102 2HG GLU 15 2HG GLU 15 8.426 -3.989 -3.868 103 HE1 GLU 15 HE2 GLU 15 5.524 -6.777 -3.501 104 H CYS 16 H CYS 16 4.177 -1.931 -2.070 105 HA CYS 16 HA CYS 16 4.299 -3.213 0.563 106 1HB CYS 16 1HB CYS 16 2.398 -1.759 -0.195 107 2HB CYS 16 2HB CYS 16 1.690 -3.022 -1.193 108 H CYS 17 H CYS 17 3.513 -5.135 1.083 109 HA CYS 17 HA CYS 17 4.550 -7.510 -0.382 110 1HB CYS 17 1HB CYS 17 2.737 -7.221 2.038 111 2HB CYS 17 2HB CYS 17 2.682 -8.784 1.206 112 H GLU 18 H GLU 18 3.457 -9.223 -1.286 113 HA GLU 18 HA GLU 18 0.950 -8.721 -2.907 114 1HB GLU 18 1HB GLU 18 1.534 -10.696 -4.203 115 2HB GLU 18 2HB GLU 18 2.844 -9.539 -4.219 116 1HG GLU 18 1HG GLU 18 3.996 -11.001 -2.391 117 2HG GLU 18 2HG GLU 18 2.739 -12.200 -2.682 118 HE1 GLU 18 HE2 GLU 18 3.926 -13.272 -5.753 119 H GLY 19 H GLY 19 -0.253 -8.866 -1.565 120 1HA GLY 19 1HA GLY 19 -1.870 -10.856 -0.527 121 2HA GLY 19 2HA GLY 19 -0.724 -10.576 0.820 122 H PHE 20 H PHE 20 -0.403 -7.768 0.255 123 HA PHE 20 HA PHE 20 -3.119 -6.529 0.986 124 1HB PHE 20 1HB PHE 20 -0.367 -5.185 1.298 125 2HB PHE 20 2HB PHE 20 -1.893 -4.495 1.707 126 HD1 PHE 20 HD1 PHE 20 0.675 -6.919 2.795 127 HD2 PHE 20 HD2 PHE 20 -3.047 -5.060 3.838 128 HE1 PHE 20 HE1 PHE 20 1.000 -7.578 5.148 129 HE2 PHE 20 HE2 PHE 20 -2.737 -5.749 6.175 130 HZ PHE 20 HZ PHE 20 -0.709 -6.999 6.840 131 H TYR 21 H TYR 21 -3.543 -4.585 -0.194 132 HA TYR 21 HA TYR 21 -2.193 -4.295 -2.957 133 1HB TYR 21 1HB TYR 21 -4.068 -3.264 -3.855 134 2HB TYR 21 2HB TYR 21 -4.694 -4.660 -3.061 135 HD1 TYR 21 HD2 TYR 21 -4.655 -0.959 -3.130 136 HD2 TYR 21 HD1 TYR 21 -6.241 -4.376 -1.057 137 HE1 TYR 21 HE2 TYR 21 -6.411 0.446 -2.150 138 HE2 TYR 21 HE1 TYR 21 -8.014 -2.962 -0.102 139 HH TYR 21 HH TYR 21 -8.878 -0.925 0.027 140 H CYS 22 H CYS 22 -0.937 -2.324 -3.231 141 HA CYS 22 HA CYS 22 -0.657 -0.659 -0.825 142 1HB CYS 22 1HB CYS 22 1.262 -1.325 -2.409 143 2HB CYS 22 2HB CYS 22 0.608 -0.161 -3.553 144 H SER 23 H SER 23 -2.153 0.565 -0.479 145 HA SER 23 HA SER 23 -4.006 2.057 -2.365 146 1HB SER 23 1HB SER 23 -4.728 1.337 -0.076 147 2HB SER 23 2HB SER 23 -3.516 2.465 0.654 148 HG SER 23 HG SER 23 -5.693 3.143 -1.058 149 H CYS 24 H CYS 24 -3.051 3.577 -3.624 150 HA CYS 24 HA CYS 24 -0.867 5.405 -2.464 151 1HB CYS 24 1HB CYS 24 -1.297 4.560 -5.387 152 2HB CYS 24 2HB CYS 24 -0.060 5.679 -4.751 153 H ARG 25 H ARG 25 -2.612 6.548 -1.605 154 HA ARG 25 HA ARG 25 -4.866 7.685 -2.891 155 1HB ARG 25 1HB ARG 25 -4.202 7.548 -0.317 156 2HB ARG 25 2HB ARG 25 -3.352 9.056 -0.546 157 1HG ARG 25 1HG ARG 25 -5.492 9.568 0.415 158 2HG ARG 25 2HG ARG 25 -5.546 10.153 -1.233 159 1HD ARG 25 1HD ARG 25 -7.687 9.117 -0.708 160 2HD ARG 25 2HD ARG 25 -6.894 8.133 -1.934 161 1HH1 ARG 25 2HH2 ARG 25 -8.644 6.932 -1.867 162 2HH1 ARG 25 1HH2 ARG 25 -9.267 5.329 -1.227 163 1HH2 ARG 25 1HH1 ARG 25 -7.172 5.349 1.506 164 2HH2 ARG 25 2HH1 ARG 25 -8.487 4.495 0.554 165 H GLN 26 H GLN 26 -1.825 9.475 -2.367 166 HA GLN 26 HA GLN 26 -2.444 11.137 -4.876 167 1HB GLN 26 1HB GLN 26 -2.858 12.588 -2.855 168 2HB GLN 26 2HB GLN 26 -1.234 12.279 -2.277 169 1HG GLN 26 1HG GLN 26 -1.293 14.465 -3.303 170 2HG GLN 26 2HG GLN 26 -0.257 13.447 -4.274 171 1HE2 GLN 26 2HE2 GLN 26 -2.294 13.956 -7.214 172 2HE2 GLN 26 1HE2 GLN 26 -0.804 13.202 -6.455 173 HA PRO 27 HA PRO 27 1.392 8.452 -5.046 174 1HB PRO 27 1HB PRO 27 1.098 9.079 -8.052 175 2HB PRO 27 2HB PRO 27 1.490 7.526 -7.281 176 1HG PRO 27 1HG PRO 27 -1.040 7.977 -8.156 177 2HG PRO 27 2HG PRO 27 -0.807 7.205 -6.570 178 1HD PRO 27 1HD PRO 27 -1.498 10.135 -7.149 179 2HD PRO 27 2HD PRO 27 -2.161 9.038 -5.906 180 HA PRO 28 HA PRO 28 3.581 7.747 -5.480 181 1HB PRO 28 1HB PRO 28 6.144 8.006 -4.519 182 2HB PRO 28 2HB PRO 28 5.757 8.274 -6.222 183 1HG PRO 28 1HG PRO 28 6.050 10.406 -4.034 184 2HG PRO 28 2HG PRO 28 6.876 10.352 -5.614 185 1HD PRO 28 1HD PRO 28 4.551 11.820 -5.214 186 2HD PRO 28 2HD PRO 28 4.889 11.030 -6.783 187 H LYS 29 H LYS 29 2.654 10.031 -3.222 188 HA LYS 29 HA LYS 29 3.451 8.692 -0.697 189 1HB LYS 29 1HB LYS 29 1.052 10.588 -1.210 190 2HB LYS 29 2HB LYS 29 1.613 10.055 0.361 191 1HG LYS 29 1HG LYS 29 3.831 11.180 0.010 192 2HG LYS 29 2HG LYS 29 3.315 11.723 -1.589 193 1HD LYS 29 1HD LYS 29 1.400 13.009 -0.543 194 2HD LYS 29 2HD LYS 29 1.929 12.486 1.061 195 1HE LYS 29 1HE LYS 29 4.161 13.658 0.705 196 2HE LYS 29 2HE LYS 29 3.629 14.181 -0.900 197 1HZ LYS 29 1HZ LYS 29 1.792 15.365 0.169 198 2HZ LYS 29 2HZ LYS 29 2.284 14.883 1.651 199 H CYS 30 H CYS 30 2.706 6.894 0.041 200 HA CYS 30 HA CYS 30 -0.051 5.731 -0.564 201 1HB CYS 30 1HB CYS 30 2.034 5.114 -2.283 202 2HB CYS 30 2HB CYS 30 2.352 3.975 -1.043 203 H ILE 31 H ILE 31 -0.080 3.616 0.294 204 HA ILE 31 HA ILE 31 1.670 2.768 2.504 205 HB ILE 31 HB ILE 31 -0.243 2.139 4.293 206 1HG1 ILE 31 1HG1 ILE 31 -1.727 4.545 3.063 207 2HG1 ILE 31 2HG1 ILE 31 -2.067 2.838 2.687 208 1HG2 ILE 31 2HG2 ILE 31 1.590 3.683 4.719 209 2HG2 ILE 31 3HG2 ILE 31 0.585 5.067 4.134 210 3HG2 ILE 31 1HG2 ILE 31 0.107 4.080 5.557 211 1HD1 ILE 31 2HD1 ILE 31 -2.454 2.272 5.072 212 2HD1 ILE 31 3HD1 ILE 31 -2.174 3.964 5.543 213 3HD1 ILE 31 1HD1 ILE 31 -3.571 3.541 4.508 214 H CYS 32 H CYS 32 0.784 0.675 3.492 215 HA CYS 32 HA CYS 32 -0.297 -1.174 1.437 216 1HB CYS 32 1HB CYS 32 0.878 -1.290 4.187 217 2HB CYS 32 2HB CYS 32 0.153 -2.683 3.566 218 H ARG 33 H ARG 33 -1.991 -2.120 1.778 219 HA ARG 33 HA ARG 33 -4.099 -1.447 3.896 220 1HB ARG 33 1HB ARG 33 -3.988 0.545 2.296 221 2HB ARG 33 2HB ARG 33 -4.275 -0.582 0.939 222 1HG ARG 33 1HG ARG 33 -6.215 0.770 1.552 223 2HG ARG 33 2HG ARG 33 -6.492 -0.959 1.553 224 1HD ARG 33 1HD ARG 33 -7.721 0.095 3.428 225 2HD ARG 33 2HD ARG 33 -6.537 -1.057 4.023 226 1HH1 ARG 33 2HH2 ARG 33 -6.793 -0.839 5.972 227 2HH1 ARG 33 1HH2 ARG 33 -6.270 0.062 7.482 228 1HH2 ARG 33 1HH1 ARG 33 -5.149 2.805 5.734 229 2HH2 ARG 33 2HH1 ARG 33 -5.405 1.982 7.354 230 H ASN 34 H ASN 34 -5.390 -3.069 4.239 231 HA ASN 34 HA ASN 34 -5.064 -5.606 2.738 232 1HB ASN 34 1HB ASN 34 -6.469 -6.594 4.487 233 2HB ASN 34 2HB ASN 34 -5.261 -5.577 5.198 234 1HD2 ASN 34 1HD2 ASN 34 -9.155 -4.827 6.116 235 2HD2 ASN 34 2HD2 ASN 34 -8.636 -6.179 4.990 236 H ASN 35 H ASN 35 -6.336 -6.603 1.391 237 HA ASN 35 HA ASN 35 -8.753 -5.263 0.156 238 1HB ASN 35 1HB ASN 35 -8.789 -7.160 -1.414 239 2HB ASN 35 2HB ASN 35 -7.237 -6.396 -1.368 240 1HD2 ASN 35 1HD2 ASN 35 -7.354 -10.390 -0.704 241 2HD2 ASN 35 2HD2 ASN 35 -8.855 -9.397 -1.067 242 H ASN 36 H ASN 36 -10.740 -5.593 0.764 243 HA ASN 36 HA ASN 36 -11.565 -8.038 2.438 244 1HB ASN 36 1HB ASN 36 -11.131 -5.944 3.854 245 2HB ASN 36 2HB ASN 36 -12.378 -5.092 2.972 246 1HD2 ASN 36 1HD2 ASN 36 -14.958 -6.573 5.025 247 2HD2 ASN 36 2HD2 ASN 36 -14.507 -5.425 3.667 248 1HN NH2 37 1HN NH2 37 -12.908 -9.278 0.943 249 2HN NH2 37 2HN NH2 37 -14.217 -8.537 -0.004 No H/Q in entry = 249 Start of MODEL 4 1 1H GLU 1 1H GLU 1 11.873 -10.228 2.641 2 2H GLU 1 2H GLU 1 10.854 -9.719 3.813 3 HA GLU 1 HA GLU 1 10.291 -9.666 0.900 4 1HB GLU 1 1HB GLU 1 10.369 -11.975 1.961 5 2HB GLU 1 2HB GLU 1 9.227 -11.473 3.190 6 1HG GLU 1 1HG GLU 1 8.071 -12.818 1.546 7 2HG GLU 1 2HG GLU 1 7.429 -11.192 1.455 8 HE2 GLU 1 HE2 GLU 1 8.314 -10.681 -1.829 9 H CYS 2 H CYS 2 8.993 -8.083 0.451 10 HA CYS 2 HA CYS 2 7.297 -6.520 0.403 11 1HB CYS 2 1HB CYS 2 5.558 -7.737 0.640 12 2HB CYS 2 2HB CYS 2 5.958 -8.804 1.925 13 H VAL 3 H VAL 3 6.074 -5.228 1.388 14 HA VAL 3 HA VAL 3 7.013 -3.640 3.883 15 HB VAL 3 HB VAL 3 5.431 -2.632 1.458 16 1HG1 VAL 3 1HG2 VAL 3 6.346 -0.987 3.956 17 2HG1 VAL 3 2HG2 VAL 3 5.655 -0.265 2.489 18 3HG1 VAL 3 3HG2 VAL 3 4.678 -1.341 3.476 19 1HG2 VAL 3 2HG1 VAL 3 7.916 -2.811 0.932 20 2HG2 VAL 3 3HG1 VAL 3 7.453 -1.102 1.017 21 3HG2 VAL 3 1HG1 VAL 3 8.324 -1.857 2.374 22 HA PRO 4 HA PRO 4 2.730 -5.417 4.964 23 1HB PRO 4 1HB PRO 4 3.765 -4.164 7.681 24 2HB PRO 4 2HB PRO 4 2.759 -5.626 7.485 25 1HG PRO 4 1HG PRO 4 5.338 -6.080 7.805 26 2HG PRO 4 2HG PRO 4 4.381 -6.740 6.415 27 1HD PRO 4 1HD PRO 4 6.143 -4.109 6.385 28 2HD PRO 4 2HD PRO 4 6.451 -5.577 5.397 29 H GLU 5 H GLU 5 1.119 -4.477 6.642 30 HA GLU 5 HA GLU 5 -0.224 -2.123 5.447 31 1HB GLU 5 1HB GLU 5 -1.384 -3.952 6.209 32 2HB GLU 5 2HB GLU 5 -0.570 -3.934 7.776 33 1HG GLU 5 1HG GLU 5 -1.559 -2.350 8.611 34 2HG GLU 5 2HG GLU 5 -2.297 -1.557 7.189 35 HE1 GLU 5 HE2 GLU 5 -5.023 -3.760 6.934 36 H ASN 6 H ASN 6 -0.511 -0.379 6.159 37 HA ASN 6 HA ASN 6 0.083 1.896 6.704 38 1HB ASN 6 1HB ASN 6 0.474 2.468 9.025 39 2HB ASN 6 2HB ASN 6 -0.726 1.228 8.993 40 1HD2 ASN 6 1HD2 ASN 6 1.075 -0.634 11.459 41 2HD2 ASN 6 2HD2 ASN 6 -0.487 -0.256 10.578 42 H GLY 7 H GLY 7 2.328 -0.252 5.903 43 1HA GLY 7 1HA GLY 7 4.891 1.338 6.245 44 2HA GLY 7 2HA GLY 7 4.725 -0.047 5.307 45 H HIS 8 H HIS 8 5.432 2.611 4.892 46 HA HIS 8 HA HIS 8 3.481 3.904 2.996 47 1HB HIS 8 1HB HIS 8 6.340 4.843 3.749 48 2HB HIS 8 2HB HIS 8 5.246 5.754 2.730 49 HD2 HIS 8 HD2 HIS 8 2.794 6.631 3.940 50 HE1 HIS 8 HE1 HIS 8 4.203 6.360 7.833 51 HE2 HIS 8 HE2 HIS 8 2.277 7.325 6.433 52 H CYS 9 H CYS 9 3.381 3.662 0.752 53 HA CYS 9 HA CYS 9 5.737 2.155 -0.531 54 1HB CYS 9 1HB CYS 9 4.108 0.568 -1.300 55 2HB CYS 9 2HB CYS 9 3.859 0.673 0.401 56 H ARG 10 H ARG 10 6.148 4.506 -1.159 57 HA ARG 10 HA ARG 10 4.398 5.637 -3.396 58 1HB ARG 10 1HB ARG 10 5.220 7.741 -2.383 59 2HB ARG 10 2HB ARG 10 4.207 6.775 -1.367 60 1HG ARG 10 1HG ARG 10 5.903 7.932 -0.061 61 2HG ARG 10 2HG ARG 10 5.990 6.199 0.155 62 1HD ARG 10 1HD ARG 10 8.000 6.105 -1.392 63 2HD ARG 10 2HD ARG 10 7.922 7.868 -1.590 64 1HH1 ARG 10 2HH2 ARG 10 10.130 6.490 -1.426 65 2HH1 ARG 10 1HH2 ARG 10 11.580 6.528 -0.302 66 1HH2 ARG 10 1HH1 ARG 10 9.731 7.536 2.417 67 2HH2 ARG 10 2HH1 ARG 10 11.367 7.079 1.723 68 H ASP 11 H ASP 11 6.550 7.397 -3.421 69 HA ASP 11 HA ASP 11 7.744 6.799 -6.068 70 1HB ASP 11 1HB ASP 11 8.098 9.150 -4.066 71 2HB ASP 11 2HB ASP 11 9.055 9.011 -5.505 72 HD2 ASP 11 HD2 ASP 11 5.212 10.180 -5.686 73 H TRP 12 H TRP 12 8.786 5.379 -5.864 74 HA TRP 12 HA TRP 12 10.665 3.772 -5.978 75 1HB TRP 12 1HB TRP 12 12.872 4.228 -5.142 76 2HB TRP 12 2HB TRP 12 12.338 5.550 -6.114 77 HD1 TRP 12 HD1 TRP 12 12.423 8.013 -5.069 78 HE1 TRP 12 HE1 TRP 12 13.534 9.083 -2.926 79 HE3 TRP 12 HE3 TRP 12 13.195 3.627 -2.567 80 HZ2 TRP 12 HZ2 TRP 12 14.540 7.978 -0.488 81 HZ3 TRP 12 HZ3 TRP 12 14.212 3.700 -0.315 82 HH2 TRP 12 HH2 TRP 12 14.871 5.840 0.709 83 H TYR 13 H TYR 13 10.216 1.963 -4.860 84 HA TYR 13 HA TYR 13 10.027 1.792 -1.977 85 1HB TYR 13 1HB TYR 13 7.709 1.604 -1.689 86 2HB TYR 13 2HB TYR 13 7.829 3.035 -2.638 87 HD1 TYR 13 HD2 TYR 13 7.564 2.467 -5.442 88 HD2 TYR 13 HD1 TYR 13 5.998 0.128 -2.205 89 HE1 TYR 13 HE2 TYR 13 5.905 1.478 -6.957 90 HE2 TYR 13 HE1 TYR 13 4.330 -0.857 -3.722 91 HH TYR 13 HH TYR 13 3.537 -0.923 -5.791 92 H ASP 14 H ASP 14 10.082 -0.024 -1.538 93 HA ASP 14 HA ASP 14 10.220 -2.536 -3.255 94 1HB ASP 14 1HB ASP 14 10.178 -2.329 -0.158 95 2HB ASP 14 2HB ASP 14 10.293 -3.838 -1.039 96 HD2 ASP 14 HD2 ASP 14 13.507 -1.531 -0.512 97 H GLU 15 H GLU 15 8.523 -3.944 -3.598 98 HA GLU 15 HA GLU 15 5.861 -2.895 -3.644 99 1HB GLU 15 1HB GLU 15 6.965 -4.777 -5.074 100 2HB GLU 15 2HB GLU 15 6.663 -5.901 -3.753 101 1HG GLU 15 1HG GLU 15 4.152 -5.474 -4.034 102 2HG GLU 15 2HG GLU 15 4.503 -4.320 -5.316 103 HE1 GLU 15 HE2 GLU 15 4.758 -8.321 -5.903 104 H CYS 16 H CYS 16 3.955 -3.123 -2.479 105 HA CYS 16 HA CYS 16 4.058 -3.927 0.320 106 1HB CYS 16 1HB CYS 16 2.403 -2.263 -0.609 107 2HB CYS 16 2HB CYS 16 1.399 -3.525 -1.320 108 H CYS 17 H CYS 17 2.921 -5.470 1.280 109 HA CYS 17 HA CYS 17 3.536 -8.219 0.724 110 1HB CYS 17 1HB CYS 17 1.258 -6.949 2.364 111 2HB CYS 17 2HB CYS 17 1.366 -8.692 2.284 112 H GLU 18 H GLU 18 2.279 -10.091 0.370 113 HA GLU 18 HA GLU 18 0.129 -9.929 -1.792 114 1HB GLU 18 1HB GLU 18 2.067 -12.229 -1.058 115 2HB GLU 18 2HB GLU 18 0.535 -12.514 -1.861 116 1HG GLU 18 1HG GLU 18 1.959 -12.330 -3.669 117 2HG GLU 18 2HG GLU 18 1.144 -10.779 -3.643 118 HE2 GLU 18 HE2 GLU 18 4.011 -8.918 -3.253 119 H GLY 19 H GLY 19 -1.199 -9.382 -0.605 120 1HA GLY 19 1HA GLY 19 -3.236 -10.445 0.759 121 2HA GLY 19 2HA GLY 19 -2.078 -10.496 2.108 122 H PHE 20 H PHE 20 -1.007 -7.771 0.808 123 HA PHE 20 HA PHE 20 -3.332 -5.941 1.496 124 1HB PHE 20 1HB PHE 20 -0.612 -4.924 2.321 125 2HB PHE 20 2HB PHE 20 -2.154 -4.304 2.697 126 HD1 PHE 20 HD1 PHE 20 -3.723 -5.715 4.359 127 HD2 PHE 20 HD2 PHE 20 0.555 -5.999 4.152 128 HE1 PHE 20 HE1 PHE 20 -3.670 -6.623 6.623 129 HE2 PHE 20 HE2 PHE 20 0.594 -6.941 6.404 130 HZ PHE 20 HZ PHE 20 -1.510 -7.193 7.671 131 H TYR 21 H TYR 21 -3.467 -4.648 -0.065 132 HA TYR 21 HA TYR 21 -1.497 -4.534 -2.425 133 1HB TYR 21 1HB TYR 21 -3.239 -3.696 -3.795 134 2HB TYR 21 2HB TYR 21 -3.942 -5.000 -2.913 135 HD1 TYR 21 HD1 TYR 21 -3.983 -1.331 -3.468 136 HD2 TYR 21 HD2 TYR 21 -5.814 -4.528 -1.247 137 HE1 TYR 21 HE1 TYR 21 -5.858 0.139 -2.884 138 HE2 TYR 21 HE2 TYR 21 -7.705 -3.055 -0.705 139 HH TYR 21 HH TYR 21 -8.574 -1.029 -0.892 140 H CYS 22 H CYS 22 -0.482 -2.645 -3.066 141 HA CYS 22 HA CYS 22 -0.133 -0.525 -1.088 142 1HB CYS 22 1HB CYS 22 1.675 -1.312 -2.637 143 2HB CYS 22 2HB CYS 22 0.789 -0.742 -4.049 144 H SER 23 H SER 23 -1.958 0.457 -0.763 145 HA SER 23 HA SER 23 -3.658 1.949 -2.777 146 1HB SER 23 1HB SER 23 -4.571 1.122 -0.594 147 2HB SER 23 2HB SER 23 -3.483 2.281 0.282 148 HG SER 23 HG SER 23 -4.552 3.943 -0.862 149 H CYS 24 H CYS 24 -2.799 3.693 -3.808 150 HA CYS 24 HA CYS 24 -0.884 5.598 -2.322 151 1HB CYS 24 1HB CYS 24 -0.995 5.029 -5.334 152 2HB CYS 24 2HB CYS 24 -0.008 6.262 -4.499 153 H ARG 25 H ARG 25 -2.686 6.451 -1.468 154 HA ARG 25 HA ARG 25 -5.094 7.453 -2.564 155 1HB ARG 25 1HB ARG 25 -3.450 8.590 -0.191 156 2HB ARG 25 2HB ARG 25 -5.109 9.054 -0.516 157 1HG ARG 25 1HG ARG 25 -5.959 6.791 -0.133 158 2HG ARG 25 2HG ARG 25 -4.331 6.119 -0.008 159 1HD ARG 25 1HD ARG 25 -3.858 7.467 2.041 160 2HD ARG 25 2HD ARG 25 -5.450 8.242 1.938 161 1HH1 ARG 25 2HH2 ARG 25 -4.371 7.693 4.181 162 2HH1 ARG 25 1HH2 ARG 25 -4.886 6.682 5.623 163 1HH2 ARG 25 1HH1 ARG 25 -6.567 4.378 3.691 164 2HH2 ARG 25 2HH1 ARG 25 -6.046 4.931 5.361 165 H GLN 26 H GLN 26 -2.348 9.638 -1.895 166 HA GLN 26 HA GLN 26 -2.804 11.039 -4.534 167 1HB GLN 26 1HB GLN 26 -4.224 12.301 -2.791 168 2HB GLN 26 2HB GLN 26 -2.761 12.757 -1.954 169 1HG GLN 26 1HG GLN 26 -3.499 13.451 -4.879 170 2HG GLN 26 2HG GLN 26 -3.762 14.501 -3.509 171 1HE2 GLN 26 2HE2 GLN 26 -0.264 15.533 -3.331 172 2HE2 GLN 26 1HE2 GLN 26 -1.779 15.271 -2.331 173 HA PRO 27 HA PRO 27 1.628 9.872 -3.521 174 1HB PRO 27 1HB PRO 27 1.914 10.936 -6.406 175 2HB PRO 27 2HB PRO 27 2.717 9.532 -5.667 176 1HG PRO 27 1HG PRO 27 0.538 9.131 -7.233 177 2HG PRO 27 2HG PRO 27 0.665 8.235 -5.701 178 1HD PRO 27 1HD PRO 27 -1.046 10.697 -6.303 179 2HD PRO 27 2HD PRO 27 -1.439 9.254 -5.319 180 HA PRO 28 HA PRO 28 3.958 10.073 -3.167 181 1HB PRO 28 1HB PRO 28 5.720 11.001 -1.271 182 2HB PRO 28 2HB PRO 28 5.837 11.508 -2.960 183 1HG PRO 28 1HG PRO 28 4.410 13.003 -0.681 184 2HG PRO 28 2HG PRO 28 5.708 13.639 -1.737 185 1HD PRO 28 1HD PRO 28 3.043 14.080 -2.304 186 2HD PRO 28 2HD PRO 28 4.206 13.780 -3.630 187 H LYS 29 H LYS 29 1.428 11.209 -1.335 188 HA LYS 29 HA LYS 29 1.842 9.461 1.070 189 1HB LYS 29 1HB LYS 29 0.299 11.405 1.188 190 2HB LYS 29 2HB LYS 29 -0.708 10.766 -0.095 191 1HG LYS 29 1HG LYS 29 -1.802 10.457 2.053 192 2HG LYS 29 2HG LYS 29 -1.489 8.908 1.296 193 1HD LYS 29 1HD LYS 29 0.561 8.622 2.822 194 2HD LYS 29 2HD LYS 29 0.127 10.136 3.623 195 1HE LYS 29 1HE LYS 29 -2.110 9.118 4.298 196 2HE LYS 29 2HE LYS 29 -1.688 7.623 3.450 197 1HZ LYS 29 1HZ LYS 29 -1.221 7.444 5.776 198 2HZ LYS 29 2HZ LYS 29 0.175 7.333 4.934 199 H CYS 30 H CYS 30 1.924 7.418 0.911 200 HA CYS 30 HA CYS 30 -0.289 5.792 -0.315 201 1HB CYS 30 1HB CYS 30 1.939 5.810 -1.895 202 2HB CYS 30 2HB CYS 30 2.393 4.598 -0.765 203 H ILE 31 H ILE 31 -0.175 3.871 0.428 204 HA ILE 31 HA ILE 31 1.619 2.798 2.523 205 HB ILE 31 HB ILE 31 -0.299 2.102 4.319 206 1HG1 ILE 31 1HG1 ILE 31 -1.651 4.673 3.285 207 2HG1 ILE 31 2HG1 ILE 31 -2.097 3.016 2.803 208 1HG2 ILE 31 2HG2 ILE 31 1.643 3.480 4.820 209 2HG2 ILE 31 3HG2 ILE 31 0.747 4.970 4.334 210 3HG2 ILE 31 1HG2 ILE 31 0.205 3.947 5.703 211 1HD1 ILE 31 2HD1 ILE 31 -2.490 2.330 5.153 212 2HD1 ILE 31 3HD1 ILE 31 -2.105 3.979 5.717 213 3HD1 ILE 31 1HD1 ILE 31 -3.533 3.694 4.675 214 H CYS 32 H CYS 32 0.705 0.728 3.418 215 HA CYS 32 HA CYS 32 -0.369 -1.053 1.317 216 1HB CYS 32 1HB CYS 32 0.924 -1.256 4.029 217 2HB CYS 32 2HB CYS 32 0.168 -2.620 3.353 218 H ARG 33 H ARG 33 -1.989 -1.960 1.638 219 HA ARG 33 HA ARG 33 -4.207 -1.291 3.697 220 1HB ARG 33 1HB ARG 33 -4.019 0.619 2.033 221 2HB ARG 33 2HB ARG 33 -4.176 -0.562 0.700 222 1HG ARG 33 1HG ARG 33 -6.139 0.832 1.092 223 2HG ARG 33 2HG ARG 33 -6.431 -0.891 1.057 224 1HD ARG 33 1HD ARG 33 -7.839 0.254 2.795 225 2HD ARG 33 2HD ARG 33 -6.818 -0.992 3.482 226 1HH1 ARG 33 2HH2 ARG 33 -6.946 -0.945 5.402 227 2HH1 ARG 33 1HH2 ARG 33 -6.414 -0.161 6.973 228 1HH2 ARG 33 1HH1 ARG 33 -5.324 2.716 5.439 229 2HH2 ARG 33 2HH1 ARG 33 -5.560 1.764 6.990 230 H ASN 34 H ASN 34 -5.551 -2.878 4.075 231 HA ASN 34 HA ASN 34 -5.205 -5.512 2.862 232 1HB ASN 34 1HB ASN 34 -6.940 -6.251 4.429 233 2HB ASN 34 2HB ASN 34 -5.878 -5.153 5.243 234 1HD2 ASN 34 1HD2 ASN 34 -9.856 -4.283 5.211 235 2HD2 ASN 34 2HD2 ASN 34 -9.152 -5.761 4.384 236 H ASN 35 H ASN 35 -6.323 -6.724 1.573 237 HA ASN 35 HA ASN 35 -8.084 -5.510 -0.511 238 1HB ASN 35 1HB ASN 35 -7.338 -8.475 -0.025 239 2HB ASN 35 2HB ASN 35 -8.165 -7.887 -1.430 240 1HD2 ASN 35 1HD2 ASN 35 -5.136 -7.039 -3.129 241 2HD2 ASN 35 2HD2 ASN 35 -6.966 -7.181 -3.158 242 H ASN 36 H ASN 36 -10.059 -6.451 -1.133 243 HA ASN 36 HA ASN 36 -12.415 -6.707 -0.864 244 1HB ASN 36 1HB ASN 36 -11.477 -9.070 -0.233 245 2HB ASN 36 2HB ASN 36 -11.620 -8.636 1.452 246 1HD2 ASN 36 1HD2 ASN 36 -15.016 -9.674 -0.628 247 2HD2 ASN 36 2HD2 ASN 36 -13.418 -9.375 -1.480 248 1HN NH2 37 1HN NH2 37 -13.138 -4.498 -0.258 249 2HN NH2 37 2HN NH2 37 -13.405 -4.052 1.442 No H/Q in entry = 249 Start of MODEL 5 1 1H GLU 1 1H GLU 1 9.533 -10.411 -0.397 2 2H GLU 1 2H GLU 1 11.164 -10.478 -0.483 3 HA GLU 1 HA GLU 1 10.481 -9.179 1.415 4 1HB GLU 1 1HB GLU 1 12.620 -8.689 0.132 5 2HB GLU 1 2HB GLU 1 11.798 -7.506 -0.859 6 1HG GLU 1 1HG GLU 1 12.084 -7.318 2.222 7 2HG GLU 1 2HG GLU 1 13.255 -6.664 1.096 8 HE1 GLU 1 HE2 GLU 1 11.236 -4.019 -0.038 9 H CYS 2 H CYS 2 8.516 -8.551 1.979 10 HA CYS 2 HA CYS 2 7.117 -6.346 0.397 11 1HB CYS 2 1HB CYS 2 5.459 -7.684 0.460 12 2HB CYS 2 2HB CYS 2 5.833 -8.803 1.718 13 H VAL 3 H VAL 3 5.925 -5.215 1.453 14 HA VAL 3 HA VAL 3 6.820 -3.721 4.005 15 HB VAL 3 HB VAL 3 5.077 -2.686 1.697 16 1HG1 VAL 3 3HG2 VAL 3 4.569 -1.467 3.848 17 2HG1 VAL 3 1HG2 VAL 3 6.278 -1.075 4.099 18 3HG1 VAL 3 2HG2 VAL 3 5.377 -0.359 2.746 19 1HG2 VAL 3 2HG1 VAL 3 7.442 -2.810 0.854 20 2HG2 VAL 3 3HG1 VAL 3 6.995 -1.115 1.069 21 3HG2 VAL 3 1HG1 VAL 3 8.046 -1.915 2.267 22 HA PRO 4 HA PRO 4 2.409 -5.450 4.894 23 1HB PRO 4 1HB PRO 4 2.370 -5.563 7.563 24 2HB PRO 4 2HB PRO 4 3.517 -6.610 6.705 25 1HG PRO 4 1HG PRO 4 4.081 -3.748 7.760 26 2HG PRO 4 2HG PRO 4 4.682 -5.277 8.319 27 1HD PRO 4 1HD PRO 4 5.986 -3.726 6.262 28 2HD PRO 4 2HD PRO 4 6.031 -5.517 6.125 29 H GLU 5 H GLU 5 1.022 -4.417 6.956 30 HA GLU 5 HA GLU 5 -0.144 -2.116 5.489 31 1HB GLU 5 1HB GLU 5 -1.426 -3.878 6.178 32 2HB GLU 5 2HB GLU 5 -0.860 -3.787 7.858 33 1HG GLU 5 1HG GLU 5 -1.854 -2.042 8.362 34 2HG GLU 5 2HG GLU 5 -2.410 -1.425 6.785 35 HE1 GLU 5 HE2 GLU 5 -4.603 -4.108 8.877 36 H ASN 6 H ASN 6 -0.554 -0.321 6.201 37 HA ASN 6 HA ASN 6 -0.011 1.871 6.667 38 1HB ASN 6 1HB ASN 6 -0.406 0.476 9.184 39 2HB ASN 6 2HB ASN 6 1.171 1.085 9.338 40 1HD2 ASN 6 1HD2 ASN 6 -2.257 3.436 9.422 41 2HD2 ASN 6 2HD2 ASN 6 -2.174 1.750 8.743 42 H GLY 7 H GLY 7 2.385 -0.306 6.103 43 1HA GLY 7 1HA GLY 7 4.834 1.431 6.362 44 2HA GLY 7 2HA GLY 7 4.760 -0.005 5.494 45 H HIS 8 H HIS 8 5.426 2.613 4.930 46 HA HIS 8 HA HIS 8 3.473 3.728 2.897 47 1HB HIS 8 1HB HIS 8 6.182 4.914 3.830 48 2HB HIS 8 2HB HIS 8 5.054 5.730 2.771 49 HD2 HIS 8 HD2 HIS 8 2.620 6.607 3.867 50 HE1 HIS 8 HE1 HIS 8 3.751 6.173 7.838 51 HE2 HIS 8 HE2 HIS 8 1.937 7.214 6.346 52 H CYS 9 H CYS 9 3.653 3.734 0.590 53 HA CYS 9 HA CYS 9 6.340 2.766 -0.511 54 1HB CYS 9 2HB CYS 9 5.281 1.404 -1.985 55 2HB CYS 9 1HB CYS 9 4.400 1.011 -0.551 56 H ARG 10 H ARG 10 6.615 3.483 -2.890 57 HA ARG 10 HA ARG 10 5.615 6.299 -3.310 58 1HB ARG 10 1HB ARG 10 8.021 5.857 -2.255 59 2HB ARG 10 2HB ARG 10 8.398 5.101 -3.783 60 1HG ARG 10 1HG ARG 10 7.795 7.486 -4.845 61 2HG ARG 10 2HG ARG 10 7.767 8.033 -3.186 62 1HD ARG 10 1HD ARG 10 9.963 8.515 -4.176 63 2HD ARG 10 2HD ARG 10 10.141 7.372 -2.861 64 1HH1 ARG 10 2HH2 ARG 10 9.582 8.347 -6.306 65 2HH1 ARG 10 1HH2 ARG 10 10.255 7.585 -7.834 66 1HH2 ARG 10 1HH1 ARG 10 11.637 4.912 -6.159 67 2HH2 ARG 10 2HH1 ARG 10 11.340 5.770 -7.754 68 H ASP 11 H ASP 11 7.028 6.274 -5.502 69 HA ASP 11 HA ASP 11 5.199 5.076 -7.605 70 1HB ASP 11 1HB ASP 11 7.355 7.304 -7.711 71 2HB ASP 11 2HB ASP 11 6.597 6.656 -9.128 72 HD1 ASP 11 HD2 ASP 11 3.490 8.141 -8.650 73 H TRP 12 H TRP 12 6.007 3.139 -7.155 74 HA TRP 12 HA TRP 12 7.099 1.025 -7.465 75 1HB TRP 12 1HB TRP 12 8.468 0.576 -9.392 76 2HB TRP 12 2HB TRP 12 6.962 1.294 -9.859 77 HD1 TRP 12 HD1 TRP 12 7.011 3.768 -11.095 78 HE1 TRP 12 HE1 TRP 12 8.828 4.996 -12.558 79 HE3 TRP 12 HE3 TRP 12 10.986 0.937 -9.578 80 HZ2 TRP 12 HZ2 TRP 12 11.646 4.643 -12.879 81 HZ3 TRP 12 HZ3 TRP 12 13.224 1.433 -10.503 82 HH2 TRP 12 HH2 TRP 12 13.550 3.257 -12.124 83 H TYR 13 H TYR 13 8.178 0.761 -5.816 84 HA TYR 13 HA TYR 13 11.079 1.586 -5.392 85 1HB TYR 13 1HB TYR 13 9.713 3.612 -4.792 86 2HB TYR 13 2HB TYR 13 8.728 2.699 -3.693 87 HD1 TYR 13 HD1 TYR 13 12.404 3.539 -4.269 88 HD2 TYR 13 HD2 TYR 13 9.257 2.940 -1.393 89 HE1 TYR 13 HE1 TYR 13 13.908 4.249 -2.460 90 HE2 TYR 13 HE2 TYR 13 10.768 3.657 0.402 91 HH TYR 13 HH TYR 13 12.805 4.358 0.929 92 H ASP 14 H ASP 14 8.573 0.779 -2.989 93 HA ASP 14 HA ASP 14 9.699 -2.068 -2.709 94 1HB ASP 14 1HB ASP 14 9.260 -0.081 -0.368 95 2HB ASP 14 2HB ASP 14 9.411 -1.817 -0.164 96 HD2 ASP 14 HD2 ASP 14 12.659 0.424 -0.887 97 H GLU 15 H GLU 15 8.068 -3.332 -3.083 98 HA GLU 15 HA GLU 15 5.285 -2.344 -3.282 99 1HB GLU 15 1HB GLU 15 6.566 -4.001 -4.851 100 2HB GLU 15 2HB GLU 15 6.346 -5.244 -3.627 101 1HG GLU 15 1HG GLU 15 3.793 -4.928 -3.886 102 2HG GLU 15 2HG GLU 15 4.101 -3.712 -5.118 103 HE1 GLU 15 HE2 GLU 15 4.502 -7.666 -5.855 104 H CYS 16 H CYS 16 3.471 -2.897 -2.172 105 HA CYS 16 HA CYS 16 3.622 -3.901 0.584 106 1HB CYS 16 1HB CYS 16 1.245 -3.268 -1.293 107 2HB CYS 16 2HB CYS 16 1.016 -3.545 0.375 108 H CYS 17 H CYS 17 2.607 -5.578 1.323 109 HA CYS 17 HA CYS 17 3.390 -8.177 0.515 110 1HB CYS 17 1HB CYS 17 1.047 -7.259 2.318 111 2HB CYS 17 2HB CYS 17 1.347 -8.969 2.122 112 H GLU 18 H GLU 18 2.111 -10.160 0.237 113 HA GLU 18 HA GLU 18 -0.043 -9.993 -1.930 114 1HB GLU 18 1HB GLU 18 0.393 -12.335 -2.457 115 2HB GLU 18 2HB GLU 18 1.857 -11.392 -2.621 116 1HG GLU 18 1HG GLU 18 2.511 -12.266 -0.240 117 2HG GLU 18 2HG GLU 18 1.155 -13.379 -0.389 118 HE1 GLU 18 HE2 GLU 18 2.631 -15.480 -2.719 119 H GLY 19 H GLY 19 -1.302 -9.348 -0.615 120 1HA GLY 19 1HA GLY 19 -3.388 -10.450 0.692 121 2HA GLY 19 2HA GLY 19 -2.211 -10.506 2.026 122 H PHE 20 H PHE 20 -1.109 -7.826 0.703 123 HA PHE 20 HA PHE 20 -3.378 -5.931 1.402 124 1HB PHE 20 1HB PHE 20 -0.590 -5.053 2.176 125 2HB PHE 20 2HB PHE 20 -2.071 -4.289 2.513 126 HD1 PHE 20 HD2 PHE 20 -3.778 -5.461 4.205 127 HD2 PHE 20 HD1 PHE 20 0.446 -6.151 4.079 128 HE1 PHE 20 HE2 PHE 20 -3.853 -6.304 6.494 129 HE2 PHE 20 HE1 PHE 20 0.371 -6.995 6.378 130 HZ PHE 20 HZ PHE 20 -1.775 -7.026 7.611 131 H TYR 21 H TYR 21 -3.510 -4.686 -0.171 132 HA TYR 21 HA TYR 21 -1.550 -4.474 -2.544 133 1HB TYR 21 1HB TYR 21 -3.291 -3.621 -3.889 134 2HB TYR 21 2HB TYR 21 -4.037 -4.915 -3.023 135 HD1 TYR 21 HD1 TYR 21 -5.707 -4.310 -1.079 136 HD2 TYR 21 HD2 TYR 21 -4.106 -1.320 -3.727 137 HE1 TYR 21 HE1 TYR 21 -7.483 -2.752 -0.412 138 HE2 TYR 21 HE2 TYR 21 -5.865 0.237 -3.019 139 HH TYR 21 HH TYR 21 -8.311 -0.711 -0.605 140 H CYS 22 H CYS 22 -0.542 -2.343 -3.142 141 HA CYS 22 HA CYS 22 -0.397 -0.516 -0.842 142 1HB CYS 22 1HB CYS 22 1.570 -1.180 -2.384 143 2HB CYS 22 2HB CYS 22 0.869 -0.098 -3.580 144 H SER 23 H SER 23 -2.156 0.494 -0.583 145 HA SER 23 HA SER 23 -3.881 1.916 -2.607 146 1HB SER 23 1HB SER 23 -4.720 1.130 -0.352 147 2HB SER 23 2HB SER 23 -3.630 2.341 0.445 148 HG SER 23 HG SER 23 -5.789 3.056 0.170 149 H CYS 24 H CYS 24 -2.911 3.470 -3.781 150 HA CYS 24 HA CYS 24 -0.981 5.457 -2.437 151 1HB CYS 24 1HB CYS 24 -1.009 4.604 -5.389 152 2HB CYS 24 2HB CYS 24 0.110 5.725 -4.557 153 H ARG 25 H ARG 25 -2.892 6.496 -1.825 154 HA ARG 25 HA ARG 25 -5.068 7.446 -3.406 155 1HB ARG 25 1HB ARG 25 -3.850 8.674 -0.830 156 2HB ARG 25 2HB ARG 25 -5.413 9.150 -1.473 157 1HG ARG 25 1HG ARG 25 -6.362 6.898 -1.171 158 2HG ARG 25 2HG ARG 25 -4.794 6.231 -0.729 159 1HD ARG 25 1HD ARG 25 -4.741 7.781 1.327 160 2HD ARG 25 2HD ARG 25 -6.360 8.320 0.906 161 1HH1 ARG 25 2HH2 ARG 25 -3.762 5.892 1.500 162 2HH1 ARG 25 1HH2 ARG 25 -3.859 4.302 2.411 163 1HH2 ARG 25 1HH1 ARG 25 -7.285 4.425 2.714 164 2HH2 ARG 25 2HH1 ARG 25 -5.719 3.530 3.050 165 H GLN 26 H GLN 26 -2.217 9.424 -2.569 166 HA GLN 26 HA GLN 26 -2.560 10.912 -5.213 167 1HB GLN 26 1HB GLN 26 -3.580 12.415 -3.473 168 2HB GLN 26 2HB GLN 26 -2.105 12.371 -2.529 169 1HG GLN 26 1HG GLN 26 -2.220 14.466 -3.740 170 2HG GLN 26 2HG GLN 26 -0.851 13.560 -4.336 171 1HE2 GLN 26 2HE2 GLN 26 -2.132 13.601 -7.711 172 2HE2 GLN 26 1HE2 GLN 26 -0.789 13.139 -6.550 173 HA PRO 27 HA PRO 27 1.635 8.898 -4.502 174 1HB PRO 27 1HB PRO 27 1.797 9.477 -7.522 175 2HB PRO 27 2HB PRO 27 2.314 8.021 -6.644 176 1HG PRO 27 1HG PRO 27 -0.047 8.000 -7.989 177 2HG PRO 27 2HG PRO 27 0.027 7.268 -6.371 178 1HD PRO 27 1HD PRO 27 -1.091 10.015 -7.138 179 2HD PRO 27 2HD PRO 27 -1.744 8.804 -5.996 180 HA PRO 28 HA PRO 28 4.054 8.687 -4.535 181 1HB PRO 28 1HB PRO 28 6.139 9.532 -2.913 182 2HB PRO 28 2HB PRO 28 6.168 9.718 -4.671 183 1HG PRO 28 1HG PRO 28 5.381 11.815 -2.575 184 2HG PRO 28 2HG PRO 28 6.561 11.991 -3.901 185 1HD PRO 28 1HD PRO 28 3.949 12.864 -4.155 186 2HD PRO 28 2HD PRO 28 4.822 12.173 -5.554 187 H LYS 29 H LYS 29 2.110 10.553 -2.516 188 HA LYS 29 HA LYS 29 2.622 9.202 0.083 189 1HB LYS 29 1HB LYS 29 1.444 11.466 -0.250 190 2HB LYS 29 2HB LYS 29 0.053 10.618 -0.911 191 1HG LYS 29 1HG LYS 29 -0.207 9.388 1.320 192 2HG LYS 29 2HG LYS 29 1.190 10.258 1.931 193 1HD LYS 29 1HD LYS 29 -0.751 11.392 2.784 194 2HD LYS 29 2HD LYS 29 -0.005 12.452 1.611 195 1HE LYS 29 1HE LYS 29 -2.403 12.605 1.315 196 2HE LYS 29 2HE LYS 29 -1.777 11.792 -0.112 197 1HZ LYS 29 1HZ LYS 29 -2.439 9.669 0.908 198 2HZ LYS 29 2HZ LYS 29 -3.016 10.441 2.228 199 H CYS 30 H CYS 30 2.242 7.190 0.467 200 HA CYS 30 HA CYS 30 -0.262 5.727 -0.375 201 1HB CYS 30 1HB CYS 30 1.799 5.384 -2.122 202 2HB CYS 30 2HB CYS 30 2.274 4.226 -0.936 203 H ILE 31 H ILE 31 -0.214 3.739 0.442 204 HA ILE 31 HA ILE 31 1.624 2.740 2.536 205 HB ILE 31 HB ILE 31 -0.213 2.024 4.342 206 1HG1 ILE 31 1HG1 ILE 31 -1.752 4.477 3.294 207 2HG1 ILE 31 2HG1 ILE 31 -2.100 2.797 2.822 208 1HG2 ILE 31 2HG2 ILE 31 1.619 3.575 4.792 209 2HG2 ILE 31 3HG2 ILE 31 0.599 4.970 4.266 210 3HG2 ILE 31 1HG2 ILE 31 0.154 3.955 5.678 211 1HD1 ILE 31 2HD1 ILE 31 -2.431 2.091 5.175 212 2HD1 ILE 31 3HD1 ILE 31 -2.146 3.757 5.736 213 3HD1 ILE 31 1HD1 ILE 31 -3.563 3.387 4.705 214 H CYS 32 H CYS 32 0.744 0.577 3.409 215 HA CYS 32 HA CYS 32 -0.373 -1.099 1.244 216 1HB CYS 32 1HB CYS 32 0.877 -1.561 3.919 217 2HB CYS 32 2HB CYS 32 0.455 -2.816 2.847 218 H ARG 33 H ARG 33 -2.054 -2.118 1.637 219 HA ARG 33 HA ARG 33 -4.092 -1.458 3.841 220 1HB ARG 33 1HB ARG 33 -4.074 0.530 2.276 221 2HB ARG 33 2HB ARG 33 -4.216 -0.576 0.884 222 1HG ARG 33 1HG ARG 33 -6.253 0.596 1.249 223 2HG ARG 33 2HG ARG 33 -6.470 -1.136 1.422 224 1HD ARG 33 1HD ARG 33 -6.376 -0.777 4.021 225 2HD ARG 33 2HD ARG 33 -6.361 0.967 3.707 226 1HH1 ARG 33 2HH2 ARG 33 -7.631 0.132 5.664 227 2HH1 ARG 33 1HH2 ARG 33 -9.387 0.120 6.195 228 1HH2 ARG 33 1HH1 ARG 33 -10.590 -0.094 2.974 229 2HH2 ARG 33 2HH1 ARG 33 -10.949 0.000 4.771 230 H ASN 34 H ASN 34 -5.651 -2.882 4.119 231 HA ASN 34 HA ASN 34 -5.439 -5.561 2.922 232 1HB ASN 34 1HB ASN 34 -7.307 -6.152 4.427 233 2HB ASN 34 2HB ASN 34 -6.101 -5.236 5.269 234 1HD2 ASN 34 1HD2 ASN 34 -9.924 -3.815 5.285 235 2HD2 ASN 34 2HD2 ASN 34 -9.436 -5.332 4.375 236 H ASN 35 H ASN 35 -6.439 -6.541 1.431 237 HA ASN 35 HA ASN 35 -8.244 -5.236 -0.550 238 1HB ASN 35 1HB ASN 35 -7.428 -8.215 -0.162 239 2HB ASN 35 2HB ASN 35 -8.415 -7.643 -1.483 240 1HD2 ASN 35 1HD2 ASN 35 -4.399 -7.182 -1.855 241 2HD2 ASN 35 2HD2 ASN 35 -5.169 -7.907 -0.355 242 H ASN 36 H ASN 36 -8.875 -8.043 1.683 243 HA ASN 36 HA ASN 36 -11.731 -7.013 2.068 244 1HB ASN 36 1HB ASN 36 -11.685 -8.914 0.326 245 2HB ASN 36 2HB ASN 36 -11.015 -9.981 1.536 246 1HD2 ASN 36 1HD2 ASN 36 -15.047 -9.142 1.622 247 2HD2 ASN 36 2HD2 ASN 36 -13.892 -8.237 0.520 248 1HN NH2 37 1HN NH2 37 -11.666 -6.304 4.316 249 2HN NH2 37 2HN NH2 37 -10.978 -7.299 5.618 No H/Q in entry = 249 Start of MODEL 6 1 1H GLU 1 1H GLU 1 10.280 -5.491 -3.467 2 2H GLU 1 2H GLU 1 11.893 -5.332 -3.252 3 HA GLU 1 HA GLU 1 10.977 -6.747 -1.556 4 1HB GLU 1 1HB GLU 1 11.954 -5.578 0.404 5 2HB GLU 1 2HB GLU 1 12.954 -5.398 -1.001 6 1HG GLU 1 1HG GLU 1 13.126 -3.325 0.057 7 2HG GLU 1 2HG GLU 1 12.062 -2.987 -1.289 8 HE2 GLU 1 HE2 GLU 1 9.708 -1.605 0.759 9 H CYS 2 H CYS 2 9.457 -7.142 -0.032 10 HA CYS 2 HA CYS 2 6.944 -5.632 -0.185 11 1HB CYS 2 1HB CYS 2 6.096 -7.241 0.516 12 2HB CYS 2 2HB CYS 2 7.042 -8.247 0.077 13 H VAL 3 H VAL 3 6.019 -4.780 1.081 14 HA VAL 3 HA VAL 3 6.896 -3.662 3.847 15 HB VAL 3 HB VAL 3 5.334 -2.249 1.607 16 1HG1 VAL 3 1HG2 VAL 3 6.287 -1.007 4.294 17 2HG1 VAL 3 2HG2 VAL 3 5.591 -0.091 2.940 18 3HG1 VAL 3 3HG2 VAL 3 4.609 -1.279 3.783 19 1HG2 VAL 3 1HG1 VAL 3 7.765 -2.371 0.972 20 2HG2 VAL 3 2HG1 VAL 3 7.322 -0.700 1.330 21 3HG2 VAL 3 3HG1 VAL 3 8.243 -1.651 2.526 22 HA PRO 4 HA PRO 4 2.360 -5.056 4.491 23 1HB PRO 4 1HB PRO 4 2.310 -5.697 7.079 24 2HB PRO 4 2HB PRO 4 3.418 -6.608 6.036 25 1HG PRO 4 1HG PRO 4 4.097 -4.039 7.639 26 2HG PRO 4 2HG PRO 4 4.647 -5.666 7.881 27 1HD PRO 4 1HD PRO 4 5.984 -3.760 6.159 28 2HD PRO 4 2HD PRO 4 6.022 -5.502 5.717 29 H GLU 5 H GLU 5 1.069 -4.359 6.761 30 HA GLU 5 HA GLU 5 -0.248 -2.043 5.765 31 1HB GLU 5 1HB GLU 5 -0.955 -3.991 7.309 32 2HB GLU 5 2HB GLU 5 -0.438 -3.071 8.656 33 1HG GLU 5 1HG GLU 5 -2.398 -2.678 6.373 34 2HG GLU 5 2HG GLU 5 -2.872 -3.026 8.032 35 HE1 GLU 5 HE2 GLU 5 -2.855 0.146 9.347 36 H ASN 6 H ASN 6 -0.678 -0.249 6.528 37 HA ASN 6 HA ASN 6 0.095 2.088 6.716 38 1HB ASN 6 1HB ASN 6 0.480 2.698 9.183 39 2HB ASN 6 2HB ASN 6 -0.892 1.702 8.909 40 1HD2 ASN 6 2HD2 ASN 6 0.265 -0.131 11.637 41 2HD2 ASN 6 1HD2 ASN 6 -1.091 0.322 10.504 42 H GLY 7 H GLY 7 2.289 0.029 6.011 43 1HA GLY 7 1HA GLY 7 4.846 1.625 6.429 44 2HA GLY 7 2HA GLY 7 4.726 0.174 5.565 45 H HIS 8 H HIS 8 5.458 2.768 4.977 46 HA HIS 8 HA HIS 8 3.534 3.983 3.022 47 1HB HIS 8 1HB HIS 8 6.442 4.875 3.617 48 2HB HIS 8 2HB HIS 8 5.325 5.758 2.597 49 HD2 HIS 8 HD2 HIS 8 2.745 6.357 4.034 50 HE1 HIS 8 HE1 HIS 8 4.758 6.985 7.612 51 HE2 HIS 8 HE2 HIS 8 2.504 7.404 6.451 52 H CYS 9 H CYS 9 3.355 3.429 0.831 53 HA CYS 9 HA CYS 9 5.665 1.698 -0.241 54 1HB CYS 9 1HB CYS 9 3.974 0.216 -1.013 55 2HB CYS 9 2HB CYS 9 3.607 0.473 0.662 56 H ARG 10 H ARG 10 4.747 1.243 -2.687 57 HA ARG 10 HA ARG 10 4.319 3.563 -4.363 58 1HB ARG 10 1HB ARG 10 6.586 4.299 -3.450 59 2HB ARG 10 2HB ARG 10 7.290 2.771 -3.925 60 1HG ARG 10 1HG ARG 10 7.972 4.381 -5.535 61 2HG ARG 10 2HG ARG 10 6.833 3.319 -6.346 62 1HD ARG 10 1HD ARG 10 5.002 5.092 -5.984 63 2HD ARG 10 2HD ARG 10 6.196 6.153 -5.251 64 1HH1 ARG 10 2HH2 ARG 10 8.111 6.908 -5.802 65 2HH1 ARG 10 1HH2 ARG 10 8.978 7.808 -7.146 66 1HH2 ARG 10 1HH1 ARG 10 6.915 6.565 -9.610 67 2HH2 ARG 10 2HH1 ARG 10 8.345 7.624 -9.158 68 H ASP 11 H ASP 11 3.375 2.353 -5.831 69 HA ASP 11 HA ASP 11 4.052 -0.483 -6.484 70 1HB ASP 11 1HB ASP 11 1.702 0.700 -6.449 71 2HB ASP 11 2HB ASP 11 2.146 1.478 -7.963 72 HD2 ASP 11 HD2 ASP 11 1.224 -1.239 -9.843 73 H TRP 12 H TRP 12 6.273 0.661 -6.912 74 HA TRP 12 HA TRP 12 7.038 0.290 -9.798 75 1HB TRP 12 1HB TRP 12 7.412 3.060 -8.434 76 2HB TRP 12 2HB TRP 12 8.278 2.559 -9.852 77 HD1 TRP 12 HD1 TRP 12 4.738 3.739 -8.767 78 HE1 TRP 12 HE1 TRP 12 3.317 4.477 -10.861 79 HE3 TRP 12 HE3 TRP 12 7.962 1.958 -12.303 80 HZ2 TRP 12 HZ2 TRP 12 3.700 4.196 -13.683 81 HZ3 TRP 12 HZ3 TRP 12 7.363 2.192 -14.691 82 HH2 TRP 12 HH2 TRP 12 5.267 3.292 -15.370 83 H TYR 13 H TYR 13 8.168 1.644 -6.607 84 HA TYR 13 HA TYR 13 10.880 0.227 -6.978 85 1HB TYR 13 1HB TYR 13 10.182 2.846 -5.469 86 2HB TYR 13 2HB TYR 13 11.752 2.091 -5.484 87 HD1 TYR 13 HD1 TYR 13 13.062 1.895 -7.704 88 HD2 TYR 13 HD2 TYR 13 9.478 4.254 -7.372 89 HE1 TYR 13 HE1 TYR 13 13.639 3.081 -9.778 90 HE2 TYR 13 HE2 TYR 13 10.065 5.427 -9.445 91 HH TYR 13 HH TYR 13 11.525 5.629 -11.101 92 H ASP 14 H ASP 14 9.112 1.577 -4.090 93 HA ASP 14 HA ASP 14 9.908 -0.941 -2.521 94 1HB ASP 14 1HB ASP 14 8.920 1.836 -1.572 95 2HB ASP 14 2HB ASP 14 9.173 0.466 -0.512 96 HD2 ASP 14 HD2 ASP 14 12.275 2.620 -1.858 97 H GLU 15 H GLU 15 8.394 -2.344 -3.287 98 HA GLU 15 HA GLU 15 5.519 -1.644 -3.610 99 1HB GLU 15 1HB GLU 15 6.981 -3.149 -5.131 100 2HB GLU 15 2HB GLU 15 7.014 -4.357 -3.863 101 1HG GLU 15 1HG GLU 15 5.428 -4.992 -5.589 102 2HG GLU 15 2HG GLU 15 4.548 -4.707 -4.109 103 HE1 GLU 15 HE2 GLU 15 3.978 -2.433 -7.400 104 H CYS 16 H CYS 16 3.718 -2.398 -2.542 105 HA CYS 16 HA CYS 16 4.020 -3.386 0.227 106 1HB CYS 16 1HB CYS 16 2.205 -1.873 -0.516 107 2HB CYS 16 2HB CYS 16 1.334 -3.158 -1.371 108 H CYS 17 H CYS 17 3.165 -5.160 0.957 109 HA CYS 17 HA CYS 17 4.311 -7.652 -0.103 110 1HB CYS 17 1HB CYS 17 2.170 -7.127 2.110 111 2HB CYS 17 2HB CYS 17 3.056 -8.650 1.950 112 H GLU 18 H GLU 18 3.191 -9.762 -0.058 113 HA GLU 18 HA GLU 18 0.889 -9.877 -2.042 114 1HB GLU 18 1HB GLU 18 3.042 -11.159 -2.555 115 2HB GLU 18 2HB GLU 18 2.814 -12.122 -1.100 116 1HG GLU 18 1HG GLU 18 0.594 -12.974 -2.064 117 2HG GLU 18 2HG GLU 18 0.857 -11.988 -3.499 118 HE1 GLU 18 HE2 GLU 18 2.880 -15.438 -2.885 119 H GLY 19 H GLY 19 -0.427 -9.233 -0.621 120 1HA GLY 19 1HA GLY 19 -2.338 -10.644 0.679 121 2HA GLY 19 2HA GLY 19 -1.143 -10.514 1.987 122 H PHE 20 H PHE 20 -0.634 -7.730 0.378 123 HA PHE 20 HA PHE 20 -3.112 -6.199 1.236 124 1HB PHE 20 1HB PHE 20 -0.364 -5.001 1.844 125 2HB PHE 20 2HB PHE 20 -1.892 -4.294 2.163 126 HD1 PHE 20 HD1 PHE 20 0.431 -6.994 3.338 127 HD2 PHE 20 HD2 PHE 20 -3.092 -4.718 4.247 128 HE1 PHE 20 HE1 PHE 20 0.475 -7.836 5.643 129 HE2 PHE 20 HE2 PHE 20 -3.076 -5.612 6.531 130 HZ PHE 20 HZ PHE 20 -1.286 -7.162 7.242 131 H TYR 21 H TYR 21 -3.430 -4.531 -0.089 132 HA TYR 21 HA TYR 21 -1.809 -4.307 -2.706 133 1HB TYR 21 1HB TYR 21 -3.664 -3.454 -3.822 134 2HB TYR 21 2HB TYR 21 -4.311 -4.769 -2.917 135 HD1 TYR 21 HD1 TYR 21 -4.342 -1.097 -3.404 136 HD2 TYR 21 HD2 TYR 21 -5.979 -4.297 -1.048 137 HE1 TYR 21 HE1 TYR 21 -6.164 0.372 -2.667 138 HE2 TYR 21 HE2 TYR 21 -7.817 -2.830 -0.339 139 HH TYR 21 HH TYR 21 -8.707 -0.798 -0.462 140 H CYS 22 H CYS 22 -0.842 -2.427 -3.233 141 HA CYS 22 HA CYS 22 -0.316 -0.450 -1.114 142 1HB CYS 22 1HB CYS 22 1.399 -1.306 -2.784 143 2HB CYS 22 2HB CYS 22 0.539 -0.535 -4.108 144 H SER 23 H SER 23 -2.152 0.626 -0.688 145 HA SER 23 HA SER 23 -3.909 2.092 -2.622 146 1HB SER 23 1HB SER 23 -4.680 1.204 -0.408 147 2HB SER 23 2HB SER 23 -3.548 2.340 0.437 148 HG SER 23 HG SER 23 -5.686 3.106 0.299 149 H CYS 24 H CYS 24 -2.888 3.639 -3.796 150 HA CYS 24 HA CYS 24 -0.910 5.558 -2.423 151 1HB CYS 24 2HB CYS 24 -1.023 4.787 -5.401 152 2HB CYS 24 1HB CYS 24 0.139 5.868 -4.584 153 H ARG 25 H ARG 25 -2.942 6.590 -1.765 154 HA ARG 25 HA ARG 25 -4.963 7.650 -3.531 155 1HB ARG 25 1HB ARG 25 -4.183 8.734 -0.733 156 2HB ARG 25 2HB ARG 25 -5.704 9.026 -1.547 157 1HG ARG 25 1HG ARG 25 -4.729 6.330 -0.425 158 2HG ARG 25 2HG ARG 25 -5.950 7.390 0.229 159 1HD ARG 25 1HD ARG 25 -7.211 5.674 -0.731 160 2HD ARG 25 2HD ARG 25 -7.376 6.982 -1.906 161 1HH1 ARG 25 2HH2 ARG 25 -8.594 4.804 -2.257 162 2HH1 ARG 25 1HH2 ARG 25 -8.580 3.481 -3.528 163 1HH2 ARG 25 1HH1 ARG 25 -5.232 3.888 -4.232 164 2HH2 ARG 25 2HH1 ARG 25 -6.800 2.998 -4.572 165 H GLN 26 H GLN 26 -2.278 9.524 -2.106 166 HA GLN 26 HA GLN 26 -2.568 11.558 -4.421 167 1HB GLN 26 1HB GLN 26 -1.551 12.127 -1.568 168 2HB GLN 26 2HB GLN 26 -1.336 13.203 -2.941 169 1HG GLN 26 1HG GLN 26 -3.847 13.382 -3.233 170 2HG GLN 26 2HG GLN 26 -4.082 12.328 -1.849 171 1HE2 GLN 26 2HE2 GLN 26 -3.222 16.265 -1.140 172 2HE2 GLN 26 1HE2 GLN 26 -3.282 15.561 -2.833 173 HA PRO 27 HA PRO 27 1.273 8.843 -4.612 174 1HB PRO 27 1HB PRO 27 1.606 8.688 -7.391 175 2HB PRO 27 2HB PRO 27 0.435 7.732 -6.471 176 1HG PRO 27 1HG PRO 27 -0.079 10.336 -7.989 177 2HG PRO 27 2HG PRO 27 -1.026 8.830 -8.050 178 1HD PRO 27 1HD PRO 27 -1.797 10.950 -6.472 179 2HD PRO 27 2HD PRO 27 -2.048 9.269 -5.910 180 HA PRO 28 HA PRO 28 3.491 8.148 -5.219 181 1HB PRO 28 1HB PRO 28 6.060 8.418 -4.260 182 2HB PRO 28 2HB PRO 28 5.648 8.755 -5.945 183 1HG PRO 28 1HG PRO 28 5.924 10.788 -3.662 184 2HG PRO 28 2HG PRO 28 6.727 10.826 -5.254 185 1HD PRO 28 1HD PRO 28 4.380 12.222 -4.762 186 2HD PRO 28 2HD PRO 28 4.708 11.504 -6.366 187 H LYS 29 H LYS 29 2.564 10.279 -2.794 188 HA LYS 29 HA LYS 29 3.416 8.746 -0.389 189 1HB LYS 29 1HB LYS 29 1.035 10.709 -0.706 190 2HB LYS 29 2HB LYS 29 1.605 10.035 0.805 191 1HG LYS 29 1HG LYS 29 3.835 11.152 0.526 192 2HG LYS 29 2HG LYS 29 3.311 11.839 -1.014 193 1HD LYS 29 1HD LYS 29 1.430 13.061 0.159 194 2HD LYS 29 2HD LYS 29 1.960 12.388 1.706 195 1HE LYS 29 1HE LYS 29 4.210 13.549 1.440 196 2HE LYS 29 2HE LYS 29 3.679 14.221 -0.109 197 1HZ LYS 29 1HZ LYS 29 2.422 14.735 2.530 198 2HZ LYS 29 2HZ LYS 29 3.387 15.768 1.708 199 H CYS 30 H CYS 30 2.643 6.939 0.268 200 HA CYS 30 HA CYS 30 -0.113 5.814 -0.432 201 1HB CYS 30 1HB CYS 30 2.000 5.241 -2.108 202 2HB CYS 30 2HB CYS 30 2.275 4.055 -0.909 203 H ILE 31 H ILE 31 -0.169 3.678 0.375 204 HA ILE 31 HA ILE 31 1.551 2.778 2.597 205 HB ILE 31 HB ILE 31 -0.435 2.128 4.332 206 1HG1 ILE 31 1HG1 ILE 31 -1.781 4.637 3.156 207 2HG1 ILE 31 2HG1 ILE 31 -2.150 2.960 2.671 208 1HG2 ILE 31 2HG2 ILE 31 1.438 3.526 4.904 209 2HG2 ILE 31 3HG2 ILE 31 0.607 4.998 4.268 210 3HG2 ILE 31 1HG2 ILE 31 -0.051 4.061 5.651 211 1HD1 ILE 31 1HD1 ILE 31 -2.693 2.270 4.963 212 2HD1 ILE 31 2HD1 ILE 31 -2.359 3.910 5.575 213 3HD1 ILE 31 3HD1 ILE 31 -3.720 3.632 4.443 214 H CYS 32 H CYS 32 0.689 0.735 3.510 215 HA CYS 32 HA CYS 32 -0.377 -1.123 1.466 216 1HB CYS 32 1HB CYS 32 0.883 -1.266 4.186 217 2HB CYS 32 2HB CYS 32 0.143 -2.642 3.545 218 H ARG 33 H ARG 33 -1.997 -1.897 1.736 219 HA ARG 33 HA ARG 33 -4.213 -1.339 3.825 220 1HB ARG 33 1HB ARG 33 -4.080 0.637 2.237 221 2HB ARG 33 2HB ARG 33 -4.220 -0.495 0.861 222 1HG ARG 33 1HG ARG 33 -6.241 0.791 1.295 223 2HG ARG 33 2HG ARG 33 -6.468 -0.943 1.282 224 1HD ARG 33 1HD ARG 33 -7.879 0.086 3.036 225 2HD ARG 33 2HD ARG 33 -6.732 -1.038 3.734 226 1HH1 ARG 33 2HH2 ARG 33 -6.561 -0.996 5.621 227 2HH1 ARG 33 1HH2 ARG 33 -6.045 -0.110 7.143 228 1HH2 ARG 33 1HH1 ARG 33 -5.613 2.893 5.524 229 2HH2 ARG 33 2HH1 ARG 33 -5.547 1.938 7.089 230 H ASN 34 H ASN 34 -5.449 -3.049 4.150 231 HA ASN 34 HA ASN 34 -4.846 -5.564 2.794 232 1HB ASN 34 1HB ASN 34 -5.537 -5.177 5.276 233 2HB ASN 34 2HB ASN 34 -7.189 -4.961 4.745 234 1HD2 ASN 34 1HD2 ASN 34 -5.595 -8.776 4.897 235 2HD2 ASN 34 2HD2 ASN 34 -4.527 -7.287 4.999 236 H ASN 35 H ASN 35 -5.726 -6.599 1.234 237 HA ASN 35 HA ASN 35 -8.231 -5.703 -0.234 238 1HB ASN 35 1HB ASN 35 -7.710 -7.572 -1.813 239 2HB ASN 35 2HB ASN 35 -6.464 -6.380 -1.704 240 1HD2 ASN 35 1HD2 ASN 35 -5.420 -10.239 -0.960 241 2HD2 ASN 35 2HD2 ASN 35 -7.149 -9.740 -1.316 242 H ASN 36 H ASN 36 -10.117 -6.411 0.385 243 HA ASN 36 HA ASN 36 -10.538 -9.170 1.627 244 1HB ASN 36 1HB ASN 36 -10.125 -7.397 3.479 245 2HB ASN 36 2HB ASN 36 -11.549 -6.545 2.938 246 1HD2 ASN 36 1HD2 ASN 36 -11.988 -9.941 5.229 247 2HD2 ASN 36 2HD2 ASN 36 -10.365 -9.449 4.530 248 1HN NH2 37 1HN NH2 37 -11.963 -10.147 0.022 249 2HN NH2 37 2HN NH2 37 -13.406 -9.323 -0.608 No H/Q in entry = 249 Start of MODEL 7 1 1H GLU 1 1H GLU 1 11.495 -10.635 2.323 2 2H GLU 1 2H GLU 1 11.971 -9.278 1.546 3 HA GLU 1 HA GLU 1 9.487 -9.565 3.150 4 1HB GLU 1 1HB GLU 1 12.149 -8.069 3.703 5 2HB GLU 1 2HB GLU 1 10.696 -7.830 4.646 6 1HG GLU 1 1HG GLU 1 12.215 -10.507 4.432 7 2HG GLU 1 2HG GLU 1 12.367 -9.342 5.731 8 HE2 GLU 1 HE2 GLU 1 9.295 -11.919 5.609 9 H CYS 2 H CYS 2 7.969 -8.295 2.308 10 HA CYS 2 HA CYS 2 8.544 -6.113 0.371 11 1HB CYS 2 1HB CYS 2 5.731 -6.514 1.576 12 2HB CYS 2 2HB CYS 2 6.186 -6.320 -0.089 13 H VAL 3 H VAL 3 6.560 -4.267 0.854 14 HA VAL 3 HA VAL 3 7.179 -2.894 3.503 15 HB VAL 3 HB VAL 3 5.203 -2.082 1.311 16 1HG1 VAL 3 2HG2 VAL 3 6.323 -0.448 3.742 17 2HG1 VAL 3 3HG2 VAL 3 5.297 0.236 2.466 18 3HG1 VAL 3 1HG2 VAL 3 4.663 -1.016 3.531 19 1HG2 VAL 3 2HG1 VAL 3 7.563 -1.901 0.378 20 2HG2 VAL 3 3HG1 VAL 3 6.862 -0.292 0.598 21 3HG2 VAL 3 1HG1 VAL 3 8.061 -0.909 1.764 22 HA PRO 4 HA PRO 4 3.000 -5.096 4.467 23 1HB PRO 4 1HB PRO 4 3.134 -5.477 7.113 24 2HB PRO 4 2HB PRO 4 4.364 -6.269 6.111 25 1HG PRO 4 1HG PRO 4 4.593 -3.475 7.440 26 2HG PRO 4 2HG PRO 4 5.451 -4.939 7.803 27 1HD PRO 4 1HD PRO 4 6.355 -2.999 5.859 28 2HD PRO 4 2HD PRO 4 6.703 -4.740 5.574 29 H GLU 5 H GLU 5 1.676 -4.430 6.722 30 HA GLU 5 HA GLU 5 -0.012 -2.254 5.610 31 1HB GLU 5 1HB GLU 5 -0.909 -4.176 6.305 32 2HB GLU 5 2HB GLU 5 -0.060 -4.166 7.851 33 1HG GLU 5 1HG GLU 5 -1.186 -2.788 8.822 34 2HG GLU 5 2HG GLU 5 -2.074 -1.989 7.491 35 HE1 GLU 5 HE2 GLU 5 -3.500 -5.312 9.318 36 H ASN 6 H ASN 6 -0.392 -0.552 6.230 37 HA ASN 6 HA ASN 6 -0.028 1.758 6.737 38 1HB ASN 6 1HB ASN 6 0.273 2.434 9.049 39 2HB ASN 6 2HB ASN 6 -0.770 1.058 9.072 40 1HD2 ASN 6 1HD2 ASN 6 1.255 -0.448 11.610 41 2HD2 ASN 6 2HD2 ASN 6 -0.355 -0.280 10.750 42 H GLY 7 H GLY 7 2.475 -0.289 6.211 43 1HA GLY 7 1HA GLY 7 4.866 1.529 6.406 44 2HA GLY 7 2HA GLY 7 4.793 0.094 5.508 45 H HIS 8 H HIS 8 5.440 2.693 4.933 46 HA HIS 8 HA HIS 8 3.389 3.823 3.018 47 1HB HIS 8 1HB HIS 8 6.152 4.994 3.803 48 2HB HIS 8 2HB HIS 8 5.002 5.798 2.756 49 HD2 HIS 8 HD2 HIS 8 2.519 6.568 3.912 50 HE1 HIS 8 HE1 HIS 8 3.821 6.337 7.848 51 HE2 HIS 8 HE2 HIS 8 1.888 7.209 6.397 52 H CYS 9 H CYS 9 3.374 3.488 0.777 53 HA CYS 9 HA CYS 9 5.857 2.053 -0.335 54 1HB CYS 9 1HB CYS 9 4.269 0.642 -1.506 55 2HB CYS 9 2HB CYS 9 4.006 0.488 0.211 56 H ARG 10 H ARG 10 5.483 1.918 -2.788 57 HA ARG 10 HA ARG 10 6.270 3.133 -4.707 58 1HB ARG 10 1HB ARG 10 3.866 2.921 -5.080 59 2HB ARG 10 2HB ARG 10 3.472 4.335 -4.108 60 1HG ARG 10 1HG ARG 10 3.219 4.598 -6.593 61 2HG ARG 10 2HG ARG 10 4.189 5.844 -5.835 62 1HD ARG 10 1HD ARG 10 6.318 4.673 -6.583 63 2HD ARG 10 2HD ARG 10 5.362 3.395 -7.300 64 1HH1 ARG 10 2HH2 ARG 10 6.495 6.739 -6.696 65 2HH1 ARG 10 1HH2 ARG 10 6.698 8.120 -7.886 66 1HH2 ARG 10 1HH1 ARG 10 5.051 6.475 -10.422 67 2HH2 ARG 10 2HH1 ARG 10 5.933 7.979 -9.852 68 H ASP 11 H ASP 11 7.607 3.905 -2.680 69 HA ASP 11 HA ASP 11 8.207 6.859 -2.866 70 1HB ASP 11 1HB ASP 11 9.525 4.513 -1.339 71 2HB ASP 11 2HB ASP 11 10.212 6.108 -1.427 72 HD2 ASP 11 HD2 ASP 11 8.067 7.579 0.837 73 H TRP 12 H TRP 12 8.291 6.445 -5.164 74 HA TRP 12 HA TRP 12 9.654 6.641 -7.228 75 1HB TRP 12 1HB TRP 12 11.798 4.798 -5.897 76 2HB TRP 12 2HB TRP 12 11.796 5.350 -7.536 77 HD1 TRP 12 HD1 TRP 12 12.594 6.658 -3.974 78 HE1 TRP 12 HE1 TRP 12 13.769 9.013 -4.060 79 HE3 TRP 12 HE3 TRP 12 11.824 7.508 -8.954 80 HZ2 TRP 12 HZ2 TRP 12 14.205 10.910 -6.157 81 HZ3 TRP 12 HZ3 TRP 12 12.625 9.630 -9.940 82 HH2 TRP 12 HH2 TRP 12 13.795 11.303 -8.564 83 H TYR 13 H TYR 13 9.834 3.394 -5.473 84 HA TYR 13 HA TYR 13 7.486 2.504 -7.074 85 1HB TYR 13 1HB TYR 13 9.705 1.851 -8.440 86 2HB TYR 13 2HB TYR 13 9.957 0.625 -7.243 87 HD1 TYR 13 HD1 TYR 13 7.482 1.901 -9.791 88 HD2 TYR 13 HD2 TYR 13 8.356 -1.327 -7.093 89 HE1 TYR 13 HE1 TYR 13 5.809 0.498 -10.919 90 HE2 TYR 13 HE2 TYR 13 6.678 -2.722 -8.224 91 HH TYR 13 HH TYR 13 4.786 -1.471 -10.972 92 H ASP 14 H ASP 14 10.048 1.236 -4.916 93 HA ASP 14 HA ASP 14 9.710 -0.732 -3.327 94 1HB ASP 14 1HB ASP 14 8.968 2.042 -2.115 95 2HB ASP 14 2HB ASP 14 9.225 0.626 -1.124 96 HD2 ASP 14 HD2 ASP 14 12.348 2.596 -2.642 97 H GLU 15 H GLU 15 8.063 -2.039 -4.012 98 HA GLU 15 HA GLU 15 5.198 -1.348 -3.678 99 1HB GLU 15 1HB GLU 15 4.798 -3.503 -4.776 100 2HB GLU 15 2HB GLU 15 6.070 -2.648 -5.606 101 1HG GLU 15 1HG GLU 15 7.801 -4.187 -4.490 102 2HG GLU 15 2HG GLU 15 6.486 -5.052 -3.702 103 HE1 GLU 15 HE2 GLU 15 7.304 -5.551 -7.627 104 H CYS 16 H CYS 16 3.612 -2.302 -2.542 105 HA CYS 16 HA CYS 16 4.186 -3.447 0.114 106 1HB CYS 16 1HB CYS 16 2.216 -1.989 -0.422 107 2HB CYS 16 2HB CYS 16 1.383 -3.247 -1.321 108 H CYS 17 H CYS 17 3.273 -5.343 0.839 109 HA CYS 17 HA CYS 17 4.079 -7.802 -0.649 110 1HB CYS 17 1HB CYS 17 2.595 -7.352 1.974 111 2HB CYS 17 2HB CYS 17 2.421 -8.940 1.247 112 H GLU 18 H GLU 18 2.696 -9.596 -1.036 113 HA GLU 18 HA GLU 18 0.087 -9.023 -2.491 114 1HB GLU 18 1HB GLU 18 1.859 -10.347 -3.769 115 2HB GLU 18 2HB GLU 18 1.816 -11.591 -2.536 116 1HG GLU 18 1HG GLU 18 0.455 -12.368 -4.360 117 2HG GLU 18 2HG GLU 18 -0.654 -11.991 -3.055 118 HE1 GLU 18 HE2 GLU 18 -0.664 -9.917 -6.537 119 H GLY 19 H GLY 19 -0.927 -8.735 -0.861 120 1HA GLY 19 1HA GLY 19 -2.550 -10.391 0.613 121 2HA GLY 19 2HA GLY 19 -1.146 -10.215 1.701 122 H PHE 20 H PHE 20 -0.750 -7.401 0.574 123 HA PHE 20 HA PHE 20 -3.240 -5.931 1.463 124 1HB PHE 20 1HB PHE 20 -0.729 -4.492 2.242 125 2HB PHE 20 2HB PHE 20 -2.316 -4.319 2.829 126 HD1 PHE 20 HD1 PHE 20 -3.236 -5.829 4.685 127 HD2 PHE 20 HD2 PHE 20 0.904 -5.870 3.499 128 HE1 PHE 20 HE1 PHE 20 -2.649 -6.975 6.757 129 HE2 PHE 20 HE2 PHE 20 1.472 -7.000 5.598 130 HZ PHE 20 HZ PHE 20 -0.294 -7.499 7.258 131 H TYR 21 H TYR 21 -3.591 -4.587 -0.103 132 HA TYR 21 HA TYR 21 -1.738 -4.341 -2.520 133 1HB TYR 21 1HB TYR 21 -3.593 -3.397 -3.743 134 2HB TYR 21 2HB TYR 21 -4.110 -4.849 -2.970 135 HD1 TYR 21 HD1 TYR 21 -4.455 -1.111 -2.929 136 HD2 TYR 21 HD2 TYR 21 -6.039 -4.819 -1.436 137 HE1 TYR 21 HE1 TYR 21 -6.484 0.049 -2.180 138 HE2 TYR 21 HE2 TYR 21 -8.066 -3.651 -0.697 139 HH TYR 21 HH TYR 21 -8.457 -0.142 -1.181 140 H CYS 22 H CYS 22 -0.700 -2.508 -3.126 141 HA CYS 22 HA CYS 22 -0.259 -0.415 -1.141 142 1HB CYS 22 1HB CYS 22 1.510 -1.308 -2.683 143 2HB CYS 22 2HB CYS 22 0.673 -0.666 -4.091 144 H SER 23 H SER 23 -2.142 0.565 -0.835 145 HA SER 23 HA SER 23 -3.805 2.064 -2.846 146 1HB SER 23 1HB SER 23 -4.691 1.168 -0.663 147 2HB SER 23 2HB SER 23 -3.643 2.347 0.223 148 HG SER 23 HG SER 23 -4.770 3.994 -0.890 149 H CYS 24 H CYS 24 -2.850 3.721 -3.909 150 HA CYS 24 HA CYS 24 -0.856 5.541 -2.451 151 1HB CYS 24 1HB CYS 24 -0.962 4.863 -5.446 152 2HB CYS 24 2HB CYS 24 0.193 5.933 -4.597 153 H ARG 25 H ARG 25 -2.600 6.632 -1.727 154 HA ARG 25 HA ARG 25 -4.814 7.808 -3.055 155 1HB ARG 25 1HB ARG 25 -3.376 9.140 -0.651 156 2HB ARG 25 2HB ARG 25 -5.049 9.354 -1.109 157 1HG ARG 25 1HG ARG 25 -3.750 6.867 0.111 158 2HG ARG 25 2HG ARG 25 -4.903 7.940 0.866 159 1HD ARG 25 1HD ARG 25 -5.500 6.012 -1.476 160 2HD ARG 25 2HD ARG 25 -5.864 5.722 0.224 161 1HH1 ARG 25 2HH2 ARG 25 -7.446 4.732 -1.232 162 2HH1 ARG 25 1HH2 ARG 25 -9.237 4.922 -1.582 163 1HH2 ARG 25 1HH1 ARG 25 -9.234 8.306 -0.935 164 2HH2 ARG 25 2HH1 ARG 25 -10.179 6.811 -1.425 165 H GLN 26 H GLN 26 -1.803 9.604 -2.368 166 HA GLN 26 HA GLN 26 -2.245 11.248 -4.924 167 1HB GLN 26 1HB GLN 26 -1.388 12.470 -2.222 168 2HB GLN 26 2HB GLN 26 -1.194 13.262 -3.779 169 1HG GLN 26 1HG GLN 26 -3.675 13.230 -4.163 170 2HG GLN 26 2HG GLN 26 -3.931 12.410 -2.632 171 1HE2 GLN 26 2HE2 GLN 26 -3.581 15.454 -0.712 172 2HE2 GLN 26 1HE2 GLN 26 -3.720 13.625 -0.691 173 HA PRO 27 HA PRO 27 1.733 8.735 -4.662 174 1HB PRO 27 1HB PRO 27 1.743 9.402 -7.671 175 2HB PRO 27 2HB PRO 27 2.136 7.861 -6.878 176 1HG PRO 27 1HG PRO 27 -0.304 8.188 -8.030 177 2HG PRO 27 2HG PRO 27 -0.203 7.392 -6.444 178 1HD PRO 27 1HD PRO 27 -1.017 10.281 -7.045 179 2HD PRO 27 2HD PRO 27 -1.727 9.122 -5.886 180 HA PRO 28 HA PRO 28 4.070 8.206 -4.843 181 1HB PRO 28 1HB PRO 28 6.392 8.688 -3.423 182 2HB PRO 28 2HB PRO 28 6.283 8.958 -5.165 183 1HG PRO 28 1HG PRO 28 5.976 11.047 -2.938 184 2HG PRO 28 2HG PRO 28 7.060 11.118 -4.353 185 1HD PRO 28 1HD PRO 28 4.574 12.342 -4.355 186 2HD PRO 28 2HD PRO 28 5.242 11.614 -5.845 187 H LYS 29 H LYS 29 2.564 10.282 -2.694 188 HA LYS 29 HA LYS 29 3.104 8.913 -0.116 189 1HB LYS 29 1HB LYS 29 0.645 10.622 -0.911 190 2HB LYS 29 2HB LYS 29 1.052 10.102 0.710 191 1HG LYS 29 1HG LYS 29 3.169 11.443 0.672 192 2HG LYS 29 2HG LYS 29 2.830 11.961 -0.982 193 1HD LYS 29 1HD LYS 29 0.668 13.035 -0.208 194 2HD LYS 29 2HD LYS 29 1.030 12.552 1.454 195 1HE LYS 29 1HE LYS 29 3.157 13.948 1.396 196 2HE LYS 29 2HE LYS 29 2.801 14.423 -0.272 197 1HZ LYS 29 1HZ LYS 29 0.724 15.409 0.524 198 2HZ LYS 29 2HZ LYS 29 1.054 14.974 2.065 199 H CYS 30 H CYS 30 2.403 7.026 0.454 200 HA CYS 30 HA CYS 30 -0.204 5.757 -0.433 201 1HB CYS 30 1HB CYS 30 1.950 5.317 -2.087 202 2HB CYS 30 2HB CYS 30 2.267 4.107 -0.903 203 H ILE 31 H ILE 31 -0.214 3.621 0.334 204 HA ILE 31 HA ILE 31 1.538 2.665 2.500 205 HB ILE 31 HB ILE 31 -0.400 1.968 4.269 206 1HG1 ILE 31 1HG1 ILE 31 -1.798 4.493 3.199 207 2HG1 ILE 31 2HG1 ILE 31 -2.174 2.832 2.674 208 1HG2 ILE 31 2HG2 ILE 31 1.495 3.396 4.780 209 2HG2 ILE 31 3HG2 ILE 31 0.570 4.857 4.262 210 3HG2 ILE 31 1HG2 ILE 31 0.031 3.826 5.633 211 1HD1 ILE 31 2HD1 ILE 31 -2.636 2.069 4.973 212 2HD1 ILE 31 3HD1 ILE 31 -2.291 3.691 5.618 213 3HD1 ILE 31 1HD1 ILE 31 -3.691 3.434 4.531 214 H CYS 32 H CYS 32 0.661 0.594 3.412 215 HA CYS 32 HA CYS 32 -0.408 -1.234 1.342 216 1HB CYS 32 1HB CYS 32 0.826 -1.373 4.052 217 2HB CYS 32 2HB CYS 32 0.109 -2.766 3.431 218 H ARG 33 H ARG 33 -2.082 -1.897 1.573 219 HA ARG 33 HA ARG 33 -4.281 -1.202 3.665 220 1HB ARG 33 1HB ARG 33 -4.144 0.643 1.966 221 2HB ARG 33 2HB ARG 33 -4.229 -0.559 0.653 222 1HG ARG 33 1HG ARG 33 -6.270 0.608 0.815 223 2HG ARG 33 2HG ARG 33 -6.504 -1.097 1.159 224 1HD ARG 33 1HD ARG 33 -6.628 -0.525 3.684 225 2HD ARG 33 2HD ARG 33 -6.403 1.170 3.273 226 1HH1 ARG 33 2HH2 ARG 33 -7.935 -2.073 3.199 227 2HH1 ARG 33 1HH2 ARG 33 -9.712 -2.500 3.043 228 1HH2 ARG 33 1HH1 ARG 33 -10.651 0.725 2.286 229 2HH2 ARG 33 2HH1 ARG 33 -11.144 -1.021 2.561 230 H ASN 34 H ASN 34 -5.285 -2.960 4.237 231 HA ASN 34 HA ASN 34 -4.817 -5.561 3.206 232 1HB ASN 34 1HB ASN 34 -5.726 -4.803 5.537 233 2HB ASN 34 2HB ASN 34 -7.308 -4.611 4.820 234 1HD2 ASN 34 1HD2 ASN 34 -5.942 -8.412 5.716 235 2HD2 ASN 34 2HD2 ASN 34 -4.787 -6.990 5.621 236 H ASN 35 H ASN 35 -5.754 -7.022 1.996 237 HA ASN 35 HA ASN 35 -7.477 -6.210 -0.292 238 1HB ASN 35 1HB ASN 35 -6.469 -9.000 0.623 239 2HB ASN 35 2HB ASN 35 -7.346 -8.702 -0.865 240 1HD2 ASN 35 1HD2 ASN 35 -3.920 -8.852 -2.062 241 2HD2 ASN 35 2HD2 ASN 35 -5.342 -9.890 -1.544 242 H ASN 36 H ASN 36 -8.049 -8.745 2.256 243 HA ASN 36 HA ASN 36 -10.995 -8.011 2.367 244 1HB ASN 36 1HB ASN 36 -11.763 -10.310 1.874 245 2HB ASN 36 2HB ASN 36 -10.981 -9.593 0.504 246 1HD2 ASN 36 1HD2 ASN 36 -9.606 -13.192 1.744 247 2HD2 ASN 36 2HD2 ASN 36 -11.044 -12.343 2.506 248 1HN NH2 37 1HN NH2 37 -8.448 -10.626 3.524 249 2HN NH2 37 2HN NH2 37 -8.957 -10.541 5.224 No H/Q in entry = 249 Start of MODEL 8 1 1H GLU 1 1H GLU 1 11.031 -10.548 4.119 2 2H GLU 1 2H GLU 1 11.818 -9.304 3.407 3 HA GLU 1 HA GLU 1 8.923 -9.376 4.054 4 1HB GLU 1 1HB GLU 1 10.473 -9.207 6.045 5 2HB GLU 1 2HB GLU 1 11.318 -7.855 5.318 6 1HG GLU 1 1HG GLU 1 9.831 -7.079 7.089 7 2HG GLU 1 2HG GLU 1 9.327 -6.393 5.563 8 HE2 GLU 1 HE2 GLU 1 6.151 -7.672 5.689 9 H CYS 2 H CYS 2 7.772 -8.082 2.831 10 HA CYS 2 HA CYS 2 8.907 -6.120 0.890 11 1HB CYS 2 1HB CYS 2 5.909 -6.295 1.592 12 2HB CYS 2 2HB CYS 2 6.604 -6.222 0.003 13 H VAL 3 H VAL 3 6.690 -4.192 1.114 14 HA VAL 3 HA VAL 3 7.248 -2.715 3.726 15 HB VAL 3 HB VAL 3 5.332 -1.965 1.462 16 1HG1 VAL 3 1HG2 VAL 3 6.371 -0.282 3.902 17 2HG1 VAL 3 2HG2 VAL 3 5.360 0.361 2.595 18 3HG1 VAL 3 3HG2 VAL 3 4.726 -0.880 3.670 19 1HG2 VAL 3 2HG1 VAL 3 7.719 -1.788 0.604 20 2HG2 VAL 3 3HG1 VAL 3 6.998 -0.181 0.769 21 3HG2 VAL 3 1HG1 VAL 3 8.165 -0.763 1.985 22 HA PRO 4 HA PRO 4 3.075 -4.988 4.580 23 1HB PRO 4 1HB PRO 4 3.127 -5.334 7.237 24 2HB PRO 4 2HB PRO 4 4.400 -6.122 6.284 25 1HG PRO 4 1HG PRO 4 4.549 -3.309 7.582 26 2HG PRO 4 2HG PRO 4 5.409 -4.758 7.994 27 1HD PRO 4 1HD PRO 4 6.361 -2.836 6.056 28 2HD PRO 4 2HD PRO 4 6.731 -4.576 5.800 29 H GLU 5 H GLU 5 1.658 -4.308 6.790 30 HA GLU 5 HA GLU 5 0.003 -2.163 5.566 31 1HB GLU 5 1HB GLU 5 -0.892 -4.088 6.208 32 2HB GLU 5 2HB GLU 5 -0.166 -4.035 7.823 33 1HG GLU 5 1HG GLU 5 -1.416 -2.700 8.666 34 2HG GLU 5 2HG GLU 5 -2.129 -1.858 7.255 35 HE1 GLU 5 HE2 GLU 5 -3.758 -5.282 8.740 36 H ASN 6 H ASN 6 -0.458 -0.420 6.187 37 HA ASN 6 HA ASN 6 -0.133 1.812 6.600 38 1HB ASN 6 1HB ASN 6 0.856 1.049 9.447 39 2HB ASN 6 2HB ASN 6 0.060 2.466 8.781 40 1HD2 ASN 6 1HD2 ASN 6 -2.407 -0.154 10.476 41 2HD2 ASN 6 2HD2 ASN 6 -0.578 -0.230 10.606 42 H GLY 7 H GLY 7 2.433 -0.143 6.186 43 1HA GLY 7 1HA GLY 7 4.769 1.749 6.496 44 2HA GLY 7 2HA GLY 7 4.787 0.291 5.634 45 H HIS 8 H HIS 8 5.421 2.874 4.993 46 HA HIS 8 HA HIS 8 3.434 3.970 3.016 47 1HB HIS 8 1HB HIS 8 6.274 5.025 3.679 48 2HB HIS 8 2HB HIS 8 5.162 5.823 2.586 49 HD2 HIS 8 HD2 HIS 8 2.627 6.623 3.752 50 HE1 HIS 8 HE1 HIS 8 4.187 6.985 7.583 51 HE2 HIS 8 HE2 HIS 8 2.142 7.608 6.156 52 H CYS 9 H CYS 9 3.332 3.418 0.815 53 HA CYS 9 HA CYS 9 5.716 1.776 -0.213 54 1HB CYS 9 1HB CYS 9 4.077 0.290 -1.110 55 2HB CYS 9 2HB CYS 9 3.673 0.466 0.573 56 H ARG 10 H ARG 10 4.756 1.370 -2.720 57 HA ARG 10 HA ARG 10 4.382 3.751 -4.318 58 1HB ARG 10 1HB ARG 10 6.675 4.400 -3.421 59 2HB ARG 10 2HB ARG 10 7.334 2.872 -3.949 60 1HG ARG 10 1HG ARG 10 8.028 4.524 -5.513 61 2HG ARG 10 2HG ARG 10 6.872 3.509 -6.363 62 1HD ARG 10 1HD ARG 10 5.066 5.320 -5.931 63 2HD ARG 10 2HD ARG 10 6.296 6.287 -5.135 64 1HH1 ARG 10 2HH2 ARG 10 4.458 4.834 -7.736 65 2HH1 ARG 10 1HH2 ARG 10 4.502 5.210 -9.531 66 1HH2 ARG 10 1HH1 ARG 10 7.416 7.024 -9.311 67 2HH2 ARG 10 2HH1 ARG 10 6.062 6.364 -10.359 68 H ASP 11 H ASP 11 3.419 2.632 -5.819 69 HA ASP 11 HA ASP 11 4.017 -0.187 -6.646 70 1HB ASP 11 1HB ASP 11 1.586 1.083 -6.725 71 2HB ASP 11 2HB ASP 11 2.151 1.584 -8.327 72 HD1 ASP 11 HD2 ASP 11 1.983 -1.530 -9.780 73 H TRP 12 H TRP 12 5.880 0.114 -7.219 74 HA TRP 12 HA TRP 12 6.817 -0.158 -9.826 75 1HB TRP 12 1HB TRP 12 6.916 2.877 -9.238 76 2HB TRP 12 2HB TRP 12 8.255 2.167 -10.081 77 HD1 TRP 12 HD1 TRP 12 4.547 1.010 -11.032 78 HE1 TRP 12 HE1 TRP 12 4.031 1.756 -13.494 79 HE3 TRP 12 HE3 TRP 12 8.790 3.808 -11.724 80 HZ2 TRP 12 HZ2 TRP 12 5.382 3.431 -15.368 81 HZ3 TRP 12 HZ3 TRP 12 9.074 5.019 -13.854 82 HH2 TRP 12 HH2 TRP 12 7.398 4.834 -15.649 83 H TYR 13 H TYR 13 8.072 1.970 -7.113 84 HA TYR 13 HA TYR 13 10.750 0.520 -7.271 85 1HB TYR 13 1HB TYR 13 9.916 3.115 -5.794 86 2HB TYR 13 2HB TYR 13 11.528 2.465 -5.849 87 HD1 TYR 13 HD2 TYR 13 12.796 2.353 -8.097 88 HD2 TYR 13 HD1 TYR 13 9.038 4.413 -7.709 89 HE1 TYR 13 HE2 TYR 13 13.214 3.536 -10.210 90 HE2 TYR 13 HE1 TYR 13 9.470 5.591 -9.814 91 HH TYR 13 HH TYR 13 10.854 5.867 -11.522 92 H ASP 14 H ASP 14 9.202 1.880 -4.286 93 HA ASP 14 HA ASP 14 10.032 -0.672 -2.803 94 1HB ASP 14 1HB ASP 14 9.161 2.108 -1.761 95 2HB ASP 14 2HB ASP 14 9.506 0.733 -0.733 96 HD1 ASP 14 HD2 ASP 14 12.941 0.834 -1.035 97 H GLU 15 H GLU 15 8.413 -2.017 -3.525 98 HA GLU 15 HA GLU 15 5.522 -1.224 -3.470 99 1HB GLU 15 1HB GLU 15 6.974 -3.851 -4.279 100 2HB GLU 15 2HB GLU 15 5.243 -3.599 -4.436 101 1HG GLU 15 1HG GLU 15 5.627 -1.626 -5.967 102 2HG GLU 15 2HG GLU 15 7.362 -1.882 -5.878 103 HE1 GLU 15 HE2 GLU 15 4.984 -4.197 -8.162 104 H CYS 16 H CYS 16 3.859 -2.172 -2.418 105 HA CYS 16 HA CYS 16 4.270 -3.310 0.255 106 1HB CYS 16 1HB CYS 16 2.305 -1.931 -0.398 107 2HB CYS 16 2HB CYS 16 1.561 -3.202 -1.359 108 H CYS 17 H CYS 17 3.438 -5.225 0.943 109 HA CYS 17 HA CYS 17 4.411 -7.666 -0.472 110 1HB CYS 17 1HB CYS 17 2.781 -7.240 2.074 111 2HB CYS 17 2HB CYS 17 2.709 -8.845 1.368 112 H GLU 18 H GLU 18 3.191 -9.502 -1.104 113 HA GLU 18 HA GLU 18 0.514 -9.041 -2.505 114 1HB GLU 18 1HB GLU 18 0.934 -11.282 -3.496 115 2HB GLU 18 2HB GLU 18 2.277 -10.200 -3.785 116 1HG GLU 18 1HG GLU 18 3.580 -11.319 -1.912 117 2HG GLU 18 2HG GLU 18 2.246 -12.420 -1.636 118 HE1 GLU 18 HE2 GLU 18 2.838 -14.431 -4.397 119 H GLY 19 H GLY 19 -0.156 -8.640 -0.451 120 1HA GLY 19 1HA GLY 19 -2.150 -10.356 0.345 121 2HA GLY 19 2HA GLY 19 -1.033 -10.388 1.735 122 H PHE 20 H PHE 20 -0.629 -7.394 0.455 123 HA PHE 20 HA PHE 20 -3.165 -6.062 1.385 124 1HB PHE 20 1HB PHE 20 -0.680 -4.510 2.112 125 2HB PHE 20 2HB PHE 20 -2.278 -4.341 2.680 126 HD1 PHE 20 HD2 PHE 20 -3.225 -5.939 4.473 127 HD2 PHE 20 HD1 PHE 20 0.961 -5.730 3.494 128 HE1 PHE 20 HE2 PHE 20 -2.668 -7.007 6.603 129 HE2 PHE 20 HE1 PHE 20 1.497 -6.807 5.630 130 HZ PHE 20 HZ PHE 20 -0.309 -7.396 7.214 131 H TYR 21 H TYR 21 -3.589 -4.629 -0.138 132 HA TYR 21 HA TYR 21 -1.808 -4.363 -2.614 133 1HB TYR 21 1HB TYR 21 -3.685 -3.435 -3.781 134 2HB TYR 21 2HB TYR 21 -4.210 -4.869 -2.980 135 HD1 TYR 21 HD2 TYR 21 -4.545 -1.155 -3.084 136 HD2 TYR 21 HD1 TYR 21 -6.006 -4.758 -1.245 137 HE1 TYR 21 HE2 TYR 21 -6.528 0.051 -2.285 138 HE2 TYR 21 HE1 TYR 21 -7.997 -3.543 -0.464 139 HH TYR 21 HH TYR 21 -8.441 -0.079 -1.168 140 H CYS 22 H CYS 22 -0.764 -2.536 -3.194 141 HA CYS 22 HA CYS 22 -0.262 -0.500 -1.164 142 1HB CYS 22 1HB CYS 22 1.471 -1.393 -2.758 143 2HB CYS 22 2HB CYS 22 0.636 -0.684 -4.133 144 H SER 23 H SER 23 -2.094 0.525 -0.811 145 HA SER 23 HA SER 23 -3.794 2.047 -2.773 146 1HB SER 23 1HB SER 23 -4.663 1.110 -0.602 147 2HB SER 23 2HB SER 23 -3.596 2.269 0.294 148 HG SER 23 HG SER 23 -5.661 2.908 -1.571 149 H CYS 24 H CYS 24 -2.776 3.675 -3.817 150 HA CYS 24 HA CYS 24 -0.778 5.464 -2.381 151 1HB CYS 24 1HB CYS 24 -1.316 4.972 -5.361 152 2HB CYS 24 2HB CYS 24 -0.114 6.105 -4.695 153 H ARG 25 H ARG 25 -3.223 5.990 -4.760 154 HA ARG 25 HA ARG 25 -4.950 7.642 -5.127 155 1HB ARG 25 1HB ARG 25 -5.028 7.596 -2.380 156 2HB ARG 25 2HB ARG 25 -4.230 9.138 -2.507 157 1HG ARG 25 1HG ARG 25 -6.543 9.634 -2.310 158 2HG ARG 25 2HG ARG 25 -6.169 9.948 -3.990 159 1HD ARG 25 1HD ARG 25 -8.307 8.830 -3.904 160 2HD ARG 25 2HD ARG 25 -7.202 7.704 -4.647 161 1HH1 ARG 25 2HH2 ARG 25 -6.403 5.906 -4.296 162 2HH1 ARG 25 1HH2 ARG 25 -6.551 4.320 -3.385 163 1HH2 ARG 25 1HH1 ARG 25 -8.519 5.665 -0.904 164 2HH2 ARG 25 2HH1 ARG 25 -7.666 4.196 -1.597 165 H GLN 26 H GLN 26 -2.069 9.111 -3.616 166 HA GLN 26 HA GLN 26 -1.608 10.787 -6.145 167 1HB GLN 26 1HB GLN 26 -0.894 12.749 -4.779 168 2HB GLN 26 2HB GLN 26 -2.610 12.438 -4.775 169 1HG GLN 26 1HG GLN 26 -2.533 11.557 -2.446 170 2HG GLN 26 2HG GLN 26 -0.791 11.695 -2.387 171 1HE2 GLN 26 2HE2 GLN 26 -0.901 15.219 -1.635 172 2HE2 GLN 26 1HE2 GLN 26 0.124 13.752 -2.038 173 HA PRO 27 HA PRO 27 2.218 8.317 -4.890 174 1HB PRO 27 1HB PRO 27 2.736 8.712 -7.894 175 2HB PRO 27 2HB PRO 27 2.982 7.256 -6.908 176 1HG PRO 27 1HG PRO 27 0.813 7.438 -8.546 177 2HG PRO 27 2HG PRO 27 0.618 6.746 -6.919 178 1HD PRO 27 1HD PRO 27 -0.087 9.587 -7.847 179 2HD PRO 27 2HD PRO 27 -1.025 8.467 -6.814 180 HA PRO 28 HA PRO 28 4.565 7.928 -4.815 181 1HB PRO 28 1HB PRO 28 6.757 8.591 -3.283 182 2HB PRO 28 2HB PRO 28 6.758 8.769 -5.041 183 1HG PRO 28 1HG PRO 28 6.213 10.957 -2.960 184 2HG PRO 28 2HG PRO 28 7.382 11.003 -4.305 185 1HD PRO 28 1HD PRO 28 4.840 12.101 -4.527 186 2HD PRO 28 2HD PRO 28 5.649 11.347 -5.931 187 H LYS 29 H LYS 29 2.819 10.084 -2.900 188 HA LYS 29 HA LYS 29 3.274 8.786 -0.235 189 1HB LYS 29 1HB LYS 29 2.524 11.184 -0.453 190 2HB LYS 29 2HB LYS 29 1.045 10.686 -1.249 191 1HG LYS 29 1HG LYS 29 0.566 11.281 1.048 192 2HG LYS 29 2HG LYS 29 0.233 9.575 0.817 193 1HD LYS 29 1HD LYS 29 2.503 9.030 1.929 194 2HD LYS 29 2HD LYS 29 2.748 10.752 2.167 195 1HE LYS 29 1HE LYS 29 1.961 9.868 4.262 196 2HE LYS 29 2HE LYS 29 0.633 10.829 3.614 197 1HZ LYS 29 1HZ LYS 29 -0.146 8.741 4.467 198 2HZ LYS 29 2HZ LYS 29 -0.407 8.776 2.853 199 H CYS 30 H CYS 30 2.399 7.026 0.433 200 HA CYS 30 HA CYS 30 -0.157 5.750 -0.545 201 1HB CYS 30 1HB CYS 30 2.099 5.265 -2.134 202 2HB CYS 30 2HB CYS 30 2.312 4.044 -0.945 203 H ILE 31 H ILE 31 -0.162 3.586 0.256 204 HA ILE 31 HA ILE 31 1.602 2.694 2.431 205 HB ILE 31 HB ILE 31 -0.297 2.014 4.226 206 1HG1 ILE 31 1HG1 ILE 31 -1.753 4.486 3.103 207 2HG1 ILE 31 2HG1 ILE 31 -2.127 2.796 2.677 208 1HG2 ILE 31 2HG2 ILE 31 1.579 3.506 4.680 209 2HG2 ILE 31 3HG2 ILE 31 0.601 4.931 4.157 210 3HG2 ILE 31 1HG2 ILE 31 0.121 3.906 5.551 211 1HD1 ILE 31 2HD1 ILE 31 -2.483 2.157 5.047 212 2HD1 ILE 31 3HD1 ILE 31 -2.158 3.823 5.574 213 3HD1 ILE 31 1HD1 ILE 31 -3.585 3.470 4.555 214 H CYS 32 H CYS 32 0.744 0.610 3.365 215 HA CYS 32 HA CYS 32 -0.341 -1.227 1.306 216 1HB CYS 32 1HB CYS 32 0.884 -1.354 4.019 217 2HB CYS 32 2HB CYS 32 0.140 -2.746 3.422 218 H ARG 33 H ARG 33 -2.022 -2.005 1.593 219 HA ARG 33 HA ARG 33 -4.162 -1.313 3.727 220 1HB ARG 33 1HB ARG 33 -4.037 0.611 2.114 221 2HB ARG 33 2HB ARG 33 -4.202 -0.533 0.750 222 1HG ARG 33 1HG ARG 33 -6.191 0.815 1.210 223 2HG ARG 33 2HG ARG 33 -6.441 -0.913 1.133 224 1HD ARG 33 1HD ARG 33 -7.861 0.106 2.895 225 2HD ARG 33 2HD ARG 33 -6.790 -1.099 3.563 226 1HH1 ARG 33 2HH2 ARG 33 -6.083 -1.268 5.303 227 2HH1 ARG 33 1HH2 ARG 33 -5.443 -0.501 6.843 228 1HH2 ARG 33 1HH1 ARG 33 -5.595 2.696 5.592 229 2HH2 ARG 33 2HH1 ARG 33 -5.188 1.581 6.991 230 H ASN 34 H ASN 34 -5.221 -3.033 4.242 231 HA ASN 34 HA ASN 34 -4.888 -5.586 2.912 232 1HB ASN 34 1HB ASN 34 -6.394 -6.493 4.644 233 2HB ASN 34 2HB ASN 34 -5.261 -5.393 5.349 234 1HD2 ASN 34 1HD2 ASN 34 -9.216 -4.671 5.956 235 2HD2 ASN 34 2HD2 ASN 34 -8.604 -6.085 4.960 236 H ASN 35 H ASN 35 -6.027 -6.777 1.628 237 HA ASN 35 HA ASN 35 -8.551 -5.790 0.234 238 1HB ASN 35 1HB ASN 35 -8.324 -7.853 -1.145 239 2HB ASN 35 2HB ASN 35 -6.949 -6.811 -1.239 240 1HD2 ASN 35 1HD2 ASN 35 -6.273 -10.676 -0.246 241 2HD2 ASN 35 2HD2 ASN 35 -7.946 -10.019 -0.615 242 H ASN 36 H ASN 36 -7.615 -8.729 2.178 243 HA ASN 36 HA ASN 36 -10.553 -9.262 2.797 244 1HB ASN 36 1HB ASN 36 -8.925 -11.131 2.106 245 2HB ASN 36 2HB ASN 36 -8.005 -10.855 3.565 246 1HD2 ASN 36 1HD2 ASN 36 -11.535 -12.972 3.796 247 2HD2 ASN 36 2HD2 ASN 36 -11.056 -12.060 2.278 248 1HN NH2 37 1HN NH2 37 -7.357 -9.095 4.907 249 2HN NH2 37 2HN NH2 37 -8.146 -8.262 6.264 No H/Q in entry = 249 Start of MODEL 9 1 1H GLU 1 1H GLU 1 11.379 -11.116 0.396 2 2H GLU 1 2H GLU 1 11.391 -9.559 -0.102 3 HA GLU 1 HA GLU 1 9.715 -10.655 2.096 4 1HB GLU 1 1HB GLU 1 12.243 -8.852 2.113 5 2HB GLU 1 2HB GLU 1 11.186 -9.062 3.503 6 1HG GLU 1 1HG GLU 1 11.634 -11.547 3.520 7 2HG GLU 1 2HG GLU 1 12.721 -11.370 2.147 8 HE1 GLU 1 HE2 GLU 1 15.341 -9.971 3.932 9 H CYS 2 H CYS 2 7.909 -9.559 2.201 10 HA CYS 2 HA CYS 2 7.459 -7.006 0.749 11 1HB CYS 2 1HB CYS 2 5.588 -8.123 0.546 12 2HB CYS 2 2HB CYS 2 5.608 -9.195 1.928 13 H VAL 3 H VAL 3 6.140 -5.658 1.539 14 HA VAL 3 HA VAL 3 6.830 -4.096 4.122 15 HB VAL 3 HB VAL 3 5.294 -3.147 1.627 16 1HG1 VAL 3 3HG2 VAL 3 6.241 -1.465 4.083 17 2HG1 VAL 3 1HG2 VAL 3 5.524 -0.773 2.610 18 3HG1 VAL 3 2HG2 VAL 3 4.566 -1.829 3.636 19 1HG2 VAL 3 1HG1 VAL 3 8.206 -2.400 2.473 20 2HG2 VAL 3 2HG1 VAL 3 7.729 -3.334 1.036 21 3HG2 VAL 3 3HG1 VAL 3 7.303 -1.621 1.149 22 HA PRO 4 HA PRO 4 2.298 -5.574 4.801 23 1HB PRO 4 1HB PRO 4 2.185 -5.809 7.461 24 2HB PRO 4 2HB PRO 4 3.299 -6.873 6.583 25 1HG PRO 4 1HG PRO 4 3.981 -4.101 7.794 26 2HG PRO 4 2HG PRO 4 4.509 -5.680 8.293 27 1HD PRO 4 1HD PRO 4 5.918 -4.101 6.344 28 2HD PRO 4 2HD PRO 4 5.888 -5.885 6.134 29 H GLU 5 H GLU 5 0.978 -4.545 6.936 30 HA GLU 5 HA GLU 5 -0.183 -2.208 5.540 31 1HB GLU 5 1HB GLU 5 -1.478 -3.921 6.333 32 2HB GLU 5 2HB GLU 5 -0.775 -3.855 7.959 33 1HG GLU 5 1HG GLU 5 -1.707 -2.153 8.587 34 2HG GLU 5 2HG GLU 5 -2.359 -1.463 7.066 35 HE2 GLU 5 HE2 GLU 5 -5.186 -3.523 6.941 36 H ASN 6 H ASN 6 -0.572 -0.346 6.262 37 HA ASN 6 HA ASN 6 0.103 1.821 6.631 38 1HB ASN 6 1HB ASN 6 1.184 0.884 9.391 39 2HB ASN 6 2HB ASN 6 0.550 2.412 8.792 40 1HD2 ASN 6 1HD2 ASN 6 -2.129 0.180 10.678 41 2HD2 ASN 6 2HD2 ASN 6 -0.320 -0.128 10.696 42 H GLY 7 H GLY 7 2.297 -0.351 5.772 43 1HA GLY 7 1HA GLY 7 4.882 1.179 6.112 44 2HA GLY 7 2HA GLY 7 4.675 -0.157 5.135 45 H HIS 8 H HIS 8 5.337 2.558 4.871 46 HA HIS 8 HA HIS 8 3.429 3.829 2.901 47 1HB HIS 8 1HB HIS 8 6.004 4.839 4.269 48 2HB HIS 8 2HB HIS 8 5.477 5.651 2.825 49 HD2 HIS 8 HD2 HIS 8 3.641 4.635 6.211 50 HE1 HIS 8 HE1 HIS 8 2.201 8.331 4.979 51 HE2 HIS 8 HE2 HIS 8 2.015 6.612 6.880 52 H CYS 9 H CYS 9 3.512 3.817 0.675 53 HA CYS 9 HA CYS 9 6.064 2.639 -0.582 54 1HB CYS 9 2HB CYS 9 4.519 1.244 -1.891 55 2HB CYS 9 1HB CYS 9 4.522 0.795 -0.197 56 H ARG 10 H ARG 10 6.680 4.768 -1.320 57 HA ARG 10 HA ARG 10 4.819 6.581 -2.670 58 1HB ARG 10 1HB ARG 10 7.856 6.777 -2.230 59 2HB ARG 10 2HB ARG 10 6.692 8.054 -2.388 60 1HG ARG 10 1HG ARG 10 7.151 8.319 -0.187 61 2HG ARG 10 2HG ARG 10 5.802 7.199 0.016 62 1HD ARG 10 1HD ARG 10 7.393 5.273 0.229 63 2HD ARG 10 2HD ARG 10 8.758 6.315 -0.169 64 1HH1 ARG 10 2HH2 ARG 10 9.116 4.411 1.372 65 2HH1 ARG 10 1HH2 ARG 10 9.682 4.239 3.109 66 1HH2 ARG 10 1HH1 ARG 10 8.254 7.211 4.104 67 2HH2 ARG 10 2HH1 ARG 10 9.225 5.719 4.549 68 H ASP 11 H ASP 11 6.840 7.496 -4.046 69 HA ASP 11 HA ASP 11 6.920 5.934 -6.725 70 1HB ASP 11 1HB ASP 11 6.476 8.549 -6.506 71 2HB ASP 11 2HB ASP 11 8.186 8.732 -6.179 72 HD1 ASP 11 HD2 ASP 11 6.735 7.796 -9.870 73 H TRP 12 H TRP 12 8.211 4.657 -4.919 74 HA TRP 12 HA TRP 12 10.760 3.730 -5.635 75 1HB TRP 12 1HB TRP 12 12.331 4.622 -3.974 76 2HB TRP 12 2HB TRP 12 11.994 5.765 -5.240 77 HD1 TRP 12 HD1 TRP 12 10.526 8.081 -4.547 78 HE1 TRP 12 HE1 TRP 12 10.337 9.449 -2.311 79 HE3 TRP 12 HE3 TRP 12 12.306 4.408 -1.471 80 HZ2 TRP 12 HZ2 TRP 12 10.963 8.849 0.411 81 HZ3 TRP 12 HZ3 TRP 12 12.503 4.876 0.948 82 HH2 TRP 12 HH2 TRP 12 11.843 7.060 1.874 83 H TYR 13 H TYR 13 10.148 1.834 -4.654 84 HA TYR 13 HA TYR 13 9.377 1.543 -1.863 85 1HB TYR 13 1HB TYR 13 7.034 1.121 -2.021 86 2HB TYR 13 2HB TYR 13 7.279 2.688 -2.700 87 HD1 TYR 13 HD2 TYR 13 7.355 2.803 -5.426 88 HD2 TYR 13 HD1 TYR 13 5.641 -0.416 -3.155 89 HE1 TYR 13 HE2 TYR 13 6.006 2.144 -7.371 90 HE2 TYR 13 HE1 TYR 13 4.292 -1.072 -5.104 91 HH TYR 13 HH TYR 13 3.773 -0.633 -7.217 92 H ASP 14 H ASP 14 9.715 -0.213 -1.457 93 HA ASP 14 HA ASP 14 9.984 -2.742 -3.109 94 1HB ASP 14 1HB ASP 14 11.356 -2.452 -1.014 95 2HB ASP 14 2HB ASP 14 9.908 -2.396 -0.027 96 HD1 ASP 14 HD2 ASP 14 11.410 -5.889 -1.399 97 H GLU 15 H GLU 15 8.404 -4.292 -3.366 98 HA GLU 15 HA GLU 15 5.695 -3.410 -3.585 99 1HB GLU 15 1HB GLU 15 5.180 -5.635 -4.357 100 2HB GLU 15 2HB GLU 15 6.780 -5.278 -4.921 101 1HG GLU 15 1HG GLU 15 6.037 -7.195 -2.610 102 2HG GLU 15 2HG GLU 15 6.460 -7.649 -4.242 103 HE2 GLU 15 HE2 GLU 15 9.271 -7.294 -1.521 104 H CYS 16 H CYS 16 3.803 -3.566 -2.463 105 HA CYS 16 HA CYS 16 3.827 -4.339 0.368 106 1HB CYS 16 1HB CYS 16 2.293 -2.570 -0.605 107 2HB CYS 16 2HB CYS 16 1.217 -3.779 -1.294 108 H CYS 17 H CYS 17 2.649 -5.825 1.227 109 HA CYS 17 HA CYS 17 3.229 -8.541 0.662 110 1HB CYS 17 1HB CYS 17 1.000 -7.269 2.406 111 2HB CYS 17 2HB CYS 17 1.192 -9.011 2.394 112 H GLU 18 H GLU 18 1.817 -10.439 0.582 113 HA GLU 18 HA GLU 18 -0.360 -10.341 -1.557 114 1HB GLU 18 1HB GLU 18 1.351 -12.718 -0.542 115 2HB GLU 18 2HB GLU 18 -0.125 -12.928 -1.479 116 1HG GLU 18 1HG GLU 18 0.798 -11.575 -3.367 117 2HG GLU 18 2HG GLU 18 2.289 -11.292 -2.476 118 HE1 GLU 18 HE2 GLU 18 3.635 -14.444 -3.001 119 H GLY 19 H GLY 19 -1.601 -9.474 -0.273 120 1HA GLY 19 1HA GLY 19 -3.706 -10.369 1.123 121 2HA GLY 19 2HA GLY 19 -2.515 -10.455 2.440 122 H PHE 20 H PHE 20 -1.290 -7.903 0.892 123 HA PHE 20 HA PHE 20 -3.411 -5.854 1.525 124 1HB PHE 20 1HB PHE 20 -0.609 -5.097 2.419 125 2HB PHE 20 2HB PHE 20 -2.073 -4.263 2.678 126 HD1 PHE 20 HD2 PHE 20 -3.852 -5.220 4.342 127 HD2 PHE 20 HD1 PHE 20 0.264 -6.427 4.296 128 HE1 PHE 20 HE2 PHE 20 -4.088 -6.108 6.608 129 HE2 PHE 20 HE1 PHE 20 0.032 -7.276 6.578 130 HZ PHE 20 HZ PHE 20 -2.133 -7.083 7.757 131 H TYR 21 H TYR 21 -3.358 -4.493 0.000 132 HA TYR 21 HA TYR 21 -1.295 -4.542 -2.299 133 1HB TYR 21 1HB TYR 21 -2.953 -3.704 -3.783 134 2HB TYR 21 2HB TYR 21 -3.702 -5.010 -2.935 135 HD1 TYR 21 HD1 TYR 21 -5.459 -4.442 -1.082 136 HD2 TYR 21 HD2 TYR 21 -3.898 -1.441 -3.734 137 HE1 TYR 21 HE1 TYR 21 -7.355 -2.972 -0.544 138 HE2 TYR 21 HE2 TYR 21 -5.785 0.026 -3.177 139 HH TYR 21 HH TYR 21 -7.632 0.280 -1.972 140 H CYS 22 H CYS 22 -0.247 -2.640 -2.942 141 HA CYS 22 HA CYS 22 -0.020 -0.476 -0.997 142 1HB CYS 22 1HB CYS 22 1.877 -1.248 -2.422 143 2HB CYS 22 2HB CYS 22 1.035 -0.803 -3.900 144 H SER 23 H SER 23 -1.958 0.347 -0.813 145 HA SER 23 HA SER 23 -3.562 1.814 -2.908 146 1HB SER 23 1HB SER 23 -4.557 0.886 -0.790 147 2HB SER 23 2HB SER 23 -3.609 2.116 0.155 148 HG SER 23 HG SER 23 -5.775 2.725 -0.313 149 H CYS 24 H CYS 24 -2.689 3.570 -3.850 150 HA CYS 24 HA CYS 24 -0.922 5.503 -2.259 151 1HB CYS 24 1HB CYS 24 -1.144 4.984 -5.282 152 2HB CYS 24 2HB CYS 24 -0.103 6.201 -4.503 153 H ARG 25 H ARG 25 -3.198 5.690 -4.804 154 HA ARG 25 HA ARG 25 -4.975 7.216 -5.475 155 1HB ARG 25 1HB ARG 25 -5.534 7.506 -2.945 156 2HB ARG 25 2HB ARG 25 -4.402 8.841 -2.881 157 1HG ARG 25 1HG ARG 25 -6.559 9.761 -3.000 158 2HG ARG 25 2HG ARG 25 -5.789 10.155 -4.516 159 1HD ARG 25 1HD ARG 25 -7.750 7.772 -4.181 160 2HD ARG 25 2HD ARG 25 -8.298 9.417 -4.506 161 1HH1 ARG 25 2HH2 ARG 25 -9.515 7.526 -5.557 162 2HH1 ARG 25 1HH2 ARG 25 -9.868 7.008 -7.282 163 1HH2 ARG 25 1HH1 ARG 25 -6.893 8.246 -8.498 164 2HH2 ARG 25 2HH1 ARG 25 -8.480 7.389 -8.834 165 H GLN 26 H GLN 26 -2.289 8.976 -3.910 166 HA GLN 26 HA GLN 26 -1.370 9.975 -6.602 167 1HB GLN 26 1HB GLN 26 -2.918 11.805 -5.752 168 2HB GLN 26 2HB GLN 26 -1.898 12.010 -4.334 169 1HG GLN 26 1HG GLN 26 0.060 12.609 -5.906 170 2HG GLN 26 2HG GLN 26 -1.024 12.428 -7.274 171 1HE2 GLN 26 2HE2 GLN 26 -1.213 15.888 -5.074 172 2HE2 GLN 26 1HE2 GLN 26 -0.150 14.475 -4.584 173 HA PRO 27 HA PRO 27 2.317 8.835 -3.895 174 1HB PRO 27 1HB PRO 27 4.204 8.541 -5.919 175 2HB PRO 27 2HB PRO 27 3.006 7.306 -5.508 176 1HG PRO 27 1HG PRO 27 2.864 9.364 -7.760 177 2HG PRO 27 2HG PRO 27 2.511 7.624 -7.847 178 1HD PRO 27 1HD PRO 27 0.534 9.547 -7.590 179 2HD PRO 27 2HD PRO 27 0.333 7.922 -6.865 180 HA PRO 28 HA PRO 28 4.721 9.056 -3.225 181 1HB PRO 28 1HB PRO 28 6.071 10.422 -1.241 182 2HB PRO 28 2HB PRO 28 6.571 10.500 -2.934 183 1HG PRO 28 1HG PRO 28 4.804 12.515 -1.432 184 2HG PRO 28 2HG PRO 28 6.302 12.858 -2.343 185 1HD PRO 28 1HD PRO 28 3.811 13.142 -3.503 186 2HD PRO 28 2HD PRO 28 5.194 12.537 -4.463 187 H LYS 29 H LYS 29 1.933 10.626 -2.190 188 HA LYS 29 HA LYS 29 1.865 9.496 0.612 189 1HB LYS 29 1HB LYS 29 0.577 11.588 -0.115 190 2HB LYS 29 2HB LYS 29 -0.452 10.590 -1.134 191 1HG LYS 29 1HG LYS 29 -1.203 9.303 0.931 192 2HG LYS 29 2HG LYS 29 -0.146 10.304 1.929 193 1HD LYS 29 1HD LYS 29 -1.440 12.368 1.219 194 2HD LYS 29 2HD LYS 29 -2.494 11.359 0.219 195 1HE LYS 29 1HE LYS 29 -3.243 10.086 2.293 196 2HE LYS 29 2HE LYS 29 -2.189 11.096 3.293 197 1HZ LYS 29 1HZ LYS 29 -4.425 11.915 3.306 198 2HZ LYS 29 2HZ LYS 29 -3.449 13.028 2.615 199 H CYS 30 H CYS 30 1.633 7.418 0.928 200 HA CYS 30 HA CYS 30 -0.428 5.706 -0.348 201 1HB CYS 30 1HB CYS 30 1.807 5.701 -1.931 202 2HB CYS 30 2HB CYS 30 2.293 4.505 -0.764 203 H ILE 31 H ILE 31 -0.282 3.750 0.424 204 HA ILE 31 HA ILE 31 1.590 2.708 2.471 205 HB ILE 31 HB ILE 31 -0.208 1.981 4.335 206 1HG1 ILE 31 1HG1 ILE 31 -1.759 4.449 3.334 207 2HG1 ILE 31 2HG1 ILE 31 -2.133 2.767 2.890 208 1HG2 ILE 31 2HG2 ILE 31 1.646 3.484 4.754 209 2HG2 ILE 31 3HG2 ILE 31 0.652 4.911 4.261 210 3HG2 ILE 31 1HG2 ILE 31 0.213 3.895 5.670 211 1HD1 ILE 31 3HD1 ILE 31 -2.359 2.083 5.274 212 2HD1 ILE 31 1HD1 ILE 31 -2.060 3.756 5.798 213 3HD1 ILE 31 2HD1 ILE 31 -3.517 3.366 4.835 214 H CYS 32 H CYS 32 0.767 0.595 3.386 215 HA CYS 32 HA CYS 32 -0.363 -1.199 1.339 216 1HB CYS 32 1HB CYS 32 0.929 -1.370 4.040 217 2HB CYS 32 2HB CYS 32 0.110 -2.726 3.442 218 H ARG 33 H ARG 33 -2.008 -1.971 1.629 219 HA ARG 33 HA ARG 33 -4.229 -1.229 3.678 220 1HB ARG 33 1HB ARG 33 -4.018 0.614 1.951 221 2HB ARG 33 2HB ARG 33 -4.142 -0.614 0.660 222 1HG ARG 33 1HG ARG 33 -6.133 0.646 0.789 223 2HG ARG 33 2HG ARG 33 -6.448 -1.037 1.169 224 1HD ARG 33 1HD ARG 33 -6.450 -0.340 3.710 225 2HD ARG 33 2HD ARG 33 -6.280 1.324 3.179 226 1HH1 ARG 33 2HH2 ARG 33 -7.843 -1.609 4.105 227 2HH1 ARG 33 1HH2 ARG 33 -9.637 -1.985 4.194 228 1HH2 ARG 33 1HH1 ARG 33 -10.533 0.729 2.277 229 2HH2 ARG 33 2HH1 ARG 33 -11.053 -0.751 3.229 230 H ASN 34 H ASN 34 -5.815 -2.652 3.981 231 HA ASN 34 HA ASN 34 -5.446 -5.384 2.906 232 1HB ASN 34 1HB ASN 34 -6.117 -4.712 5.311 233 2HB ASN 34 2HB ASN 34 -7.701 -4.254 4.720 234 1HD2 ASN 34 1HD2 ASN 34 -8.740 -7.640 5.320 235 2HD2 ASN 34 2HD2 ASN 34 -9.093 -5.840 5.331 236 H ASN 35 H ASN 35 -6.331 -6.330 1.316 237 HA ASN 35 HA ASN 35 -8.747 -5.248 -0.215 238 1HB ASN 35 1HB ASN 35 -8.220 -7.156 -1.823 239 2HB ASN 35 2HB ASN 35 -7.075 -5.876 -1.742 240 1HD2 ASN 35 1HD2 ASN 35 -5.674 -9.629 -1.140 241 2HD2 ASN 35 2HD2 ASN 35 -7.440 -9.269 -1.489 242 H ASN 36 H ASN 36 -7.755 -8.509 1.104 243 HA ASN 36 HA ASN 36 -10.735 -9.140 1.518 244 1HB ASN 36 1HB ASN 36 -9.318 -10.570 -0.097 245 2HB ASN 36 2HB ASN 36 -8.326 -11.070 1.252 246 1HD2 ASN 36 1HD2 ASN 36 -12.053 -12.769 0.757 247 2HD2 ASN 36 2HD2 ASN 36 -11.527 -11.299 -0.207 248 1HN NH2 37 1HN NH2 37 -7.418 -10.132 3.158 249 2HN NH2 37 2HN NH2 37 -8.048 -9.972 4.812 No H/Q in entry = 249 Start of MODEL 10 1 1H GLU 1 1H GLU 1 11.507 -6.882 -2.169 2 2H GLU 1 2H GLU 1 12.193 -8.278 -1.667 3 HA GLU 1 HA GLU 1 10.941 -8.259 0.401 4 1HB GLU 1 1HB GLU 1 12.128 -6.352 1.441 5 2HB GLU 1 2HB GLU 1 13.180 -7.254 0.381 6 1HG GLU 1 1HG GLU 1 12.956 -5.406 -1.387 7 2HG GLU 1 2HG GLU 1 11.942 -4.497 -0.275 8 HE1 GLU 1 HE2 GLU 1 15.939 -4.748 0.249 9 H CYS 2 H CYS 2 9.090 -7.708 1.296 10 HA CYS 2 HA CYS 2 7.386 -5.523 0.083 11 1HB CYS 2 1HB CYS 2 5.931 -7.047 0.289 12 2HB CYS 2 2HB CYS 2 6.584 -8.137 1.449 13 H VAL 3 H VAL 3 6.184 -4.550 1.251 14 HA VAL 3 HA VAL 3 7.059 -3.034 3.798 15 HB VAL 3 HB VAL 3 5.152 -2.108 1.582 16 1HG1 VAL 3 3HG2 VAL 3 4.596 -0.999 3.785 17 2HG1 VAL 3 1HG2 VAL 3 6.267 -0.476 4.021 18 3HG1 VAL 3 2HG2 VAL 3 5.282 0.206 2.708 19 1HG2 VAL 3 2HG1 VAL 3 7.526 -1.971 0.687 20 2HG2 VAL 3 3HG1 VAL 3 6.895 -0.341 0.939 21 3HG2 VAL 3 1HG1 VAL 3 8.046 -1.038 2.107 22 HA PRO 4 HA PRO 4 2.818 -5.063 4.819 23 1HB PRO 4 1HB PRO 4 2.866 -5.180 7.491 24 2HB PRO 4 2HB PRO 4 4.074 -6.126 6.599 25 1HG PRO 4 1HG PRO 4 4.421 -3.226 7.645 26 2HG PRO 4 2HG PRO 4 5.170 -4.695 8.183 27 1HD PRO 4 1HD PRO 4 6.267 -3.033 6.090 28 2HD PRO 4 2HD PRO 4 6.476 -4.813 5.957 29 H GLU 5 H GLU 5 1.418 -4.152 6.927 30 HA GLU 5 HA GLU 5 0.032 -1.934 5.502 31 1HB GLU 5 1HB GLU 5 -1.058 -3.836 6.128 32 2HB GLU 5 2HB GLU 5 -0.489 -3.751 7.802 33 1HG GLU 5 1HG GLU 5 -1.770 -2.359 8.472 34 2HG GLU 5 2HG GLU 5 -2.192 -1.438 7.000 35 HE2 GLU 5 HE2 GLU 5 -4.592 -4.365 8.247 36 H ASN 6 H ASN 6 -0.494 -0.197 6.176 37 HA ASN 6 HA ASN 6 -0.114 1.994 6.576 38 1HB ASN 6 1HB ASN 6 0.895 1.233 9.436 39 2HB ASN 6 2HB ASN 6 0.124 2.668 8.771 40 1HD2 ASN 6 1HD2 ASN 6 -2.382 0.100 10.503 41 2HD2 ASN 6 2HD2 ASN 6 -0.554 -0.032 10.594 42 H GLY 7 H GLY 7 2.426 -0.044 6.238 43 1HA GLY 7 1HA GLY 7 4.787 1.816 6.488 44 2HA GLY 7 2HA GLY 7 4.776 0.341 5.661 45 H HIS 8 H HIS 8 5.469 2.887 4.951 46 HA HIS 8 HA HIS 8 3.516 3.988 2.965 47 1HB HIS 8 1HB HIS 8 6.414 4.946 3.502 48 2HB HIS 8 2HB HIS 8 5.296 5.758 2.427 49 HD2 HIS 8 HD2 HIS 8 2.681 6.379 3.863 50 HE1 HIS 8 HE1 HIS 8 4.785 7.454 7.276 51 HE2 HIS 8 HE2 HIS 8 2.487 7.685 6.150 52 H CYS 9 H CYS 9 3.398 3.409 0.715 53 HA CYS 9 HA CYS 9 5.604 1.403 -0.017 54 1HB CYS 9 1HB CYS 9 3.891 0.262 -1.226 55 2HB CYS 9 2HB CYS 9 3.396 0.499 0.429 56 H ARG 10 H ARG 10 6.117 1.098 -1.994 57 HA ARG 10 HA ARG 10 7.314 1.588 -3.959 58 1HB ARG 10 1HB ARG 10 5.293 3.909 -4.419 59 2HB ARG 10 2HB ARG 10 6.526 3.379 -5.540 60 1HG ARG 10 1HG ARG 10 4.126 1.684 -4.640 61 2HG ARG 10 2HG ARG 10 4.332 2.512 -6.180 62 1HD ARG 10 1HD ARG 10 6.456 1.080 -6.574 63 2HD ARG 10 2HD ARG 10 6.042 0.157 -5.127 64 1HH1 ARG 10 2HH2 ARG 10 7.011 -0.730 -7.498 65 2HH1 ARG 10 1HH2 ARG 10 6.432 -2.003 -8.686 66 1HH2 ARG 10 1HH1 ARG 10 3.106 -1.489 -7.963 67 2HH2 ARG 10 2HH1 ARG 10 4.372 -2.401 -8.929 68 H ASP 11 H ASP 11 8.742 1.996 -2.213 69 HA ASP 11 HA ASP 11 9.851 4.785 -1.882 70 1HB ASP 11 1HB ASP 11 10.789 2.021 -0.857 71 2HB ASP 11 2HB ASP 11 11.659 3.503 -0.621 72 HD1 ASP 11 HD2 ASP 11 9.475 4.838 1.764 73 H TRP 12 H TRP 12 9.884 4.839 -4.138 74 HA TRP 12 HA TRP 12 11.180 5.227 -6.190 75 1HB TRP 12 1HB TRP 12 13.129 2.950 -5.306 76 2HB TRP 12 2HB TRP 12 13.169 3.810 -6.809 77 HD1 TRP 12 HD1 TRP 12 14.070 4.304 -3.065 78 HE1 TRP 12 HE1 TRP 12 15.524 6.473 -2.706 79 HE3 TRP 12 HE3 TRP 12 13.507 6.165 -7.790 80 HZ2 TRP 12 HZ2 TRP 12 16.231 8.661 -4.410 81 HZ3 TRP 12 HZ3 TRP 12 14.581 8.318 -8.361 82 HH2 TRP 12 HH2 TRP 12 15.920 9.546 -6.699 83 H TYR 13 H TYR 13 11.293 1.674 -5.283 84 HA TYR 13 HA TYR 13 8.706 1.219 -6.803 85 1HB TYR 13 1HB TYR 13 11.369 -0.221 -7.459 86 2HB TYR 13 2HB TYR 13 9.832 -0.874 -7.952 87 HD1 TYR 13 HD1 TYR 13 8.191 0.612 -9.378 88 HD2 TYR 13 HD2 TYR 13 12.374 1.494 -8.918 89 HE1 TYR 13 HE1 TYR 13 8.137 1.966 -11.429 90 HE2 TYR 13 HE2 TYR 13 12.310 2.847 -10.973 91 HH TYR 13 HH TYR 13 9.291 3.247 -12.826 92 H ASP 14 H ASP 14 10.560 0.450 -4.050 93 HA ASP 14 HA ASP 14 9.828 -2.330 -3.583 94 1HB ASP 14 1HB ASP 14 10.397 -0.121 -1.483 95 2HB ASP 14 2HB ASP 14 10.268 -1.826 -1.115 96 HD2 ASP 14 HD2 ASP 14 13.643 -0.314 -2.604 97 H GLU 15 H GLU 15 7.816 -2.918 -3.797 98 HA GLU 15 HA GLU 15 5.451 -1.257 -2.987 99 1HB GLU 15 1HB GLU 15 4.229 -2.853 -4.379 100 2HB GLU 15 2HB GLU 15 5.687 -2.400 -5.209 101 1HG GLU 15 1HG GLU 15 6.751 -4.634 -4.588 102 2HG GLU 15 2HG GLU 15 5.276 -5.089 -3.741 103 HE1 GLU 15 HE2 GLU 15 5.467 -5.034 -7.790 104 H CYS 16 H CYS 16 3.470 -2.525 -2.306 105 HA CYS 16 HA CYS 16 3.787 -3.457 0.453 106 1HB CYS 16 1HB CYS 16 1.360 -3.286 -1.490 107 2HB CYS 16 2HB CYS 16 1.140 -3.583 0.188 108 H CYS 17 H CYS 17 2.988 -5.271 1.231 109 HA CYS 17 HA CYS 17 4.010 -7.835 0.420 110 1HB CYS 17 1HB CYS 17 1.691 -7.053 2.301 111 2HB CYS 17 2HB CYS 17 2.049 -8.749 2.061 112 H GLU 18 H GLU 18 2.840 -9.877 0.149 113 HA GLU 18 HA GLU 18 0.703 -9.841 -2.023 114 1HB GLU 18 1HB GLU 18 2.827 -11.179 -2.507 115 2HB GLU 18 2HB GLU 18 2.509 -12.193 -1.104 116 1HG GLU 18 1HG GLU 18 0.310 -12.933 -2.179 117 2HG GLU 18 2HG GLU 18 0.643 -11.898 -3.564 118 HE1 GLU 18 HE2 GLU 18 2.994 -13.984 -5.008 119 H GLY 19 H GLY 19 -0.662 -9.190 -0.632 120 1HA GLY 19 1HA GLY 19 -2.638 -10.525 0.618 121 2HA GLY 19 2HA GLY 19 -1.453 -10.497 1.947 122 H PHE 20 H PHE 20 -0.652 -7.717 0.532 123 HA PHE 20 HA PHE 20 -3.052 -6.040 1.353 124 1HB PHE 20 1HB PHE 20 -0.275 -4.963 1.975 125 2HB PHE 20 2HB PHE 20 -1.784 -4.244 2.341 126 HD1 PHE 20 HD2 PHE 20 -3.435 -5.676 4.006 127 HD2 PHE 20 HD1 PHE 20 0.859 -5.800 3.939 128 HE1 PHE 20 HE2 PHE 20 -3.415 -6.597 6.278 129 HE2 PHE 20 HE1 PHE 20 0.862 -6.734 6.201 130 HZ PHE 20 HZ PHE 20 -1.272 -7.117 7.386 131 H TYR 21 H TYR 21 -3.319 -4.511 -0.078 132 HA TYR 21 HA TYR 21 -1.581 -4.382 -2.629 133 1HB TYR 21 1HB TYR 21 -3.411 -3.554 -3.847 134 2HB TYR 21 2HB TYR 21 -4.039 -4.881 -2.946 135 HD1 TYR 21 HD1 TYR 21 -4.128 -1.191 -3.395 136 HD2 TYR 21 HD2 TYR 21 -5.858 -4.486 -1.239 137 HE1 TYR 21 HE1 TYR 21 -6.030 0.221 -2.755 138 HE2 TYR 21 HE2 TYR 21 -7.789 -3.076 -0.661 139 HH TYR 21 HH TYR 21 -7.963 0.331 -1.672 140 H CYS 22 H CYS 22 -0.637 -2.485 -3.266 141 HA CYS 22 HA CYS 22 -0.144 -0.441 -1.230 142 1HB CYS 22 1HB CYS 22 1.565 -1.253 -2.884 143 2HB CYS 22 2HB CYS 22 0.641 -0.609 -4.237 144 H SER 23 H SER 23 -2.034 0.477 -0.787 145 HA SER 23 HA SER 23 -3.804 1.980 -2.698 146 1HB SER 23 1HB SER 23 -4.556 0.973 -0.505 147 2HB SER 23 2HB SER 23 -3.556 2.213 0.362 148 HG SER 23 HG SER 23 -5.691 2.676 -1.477 149 H CYS 24 H CYS 24 -3.106 3.816 -3.651 150 HA CYS 24 HA CYS 24 -1.072 5.629 -2.225 151 1HB CYS 24 1HB CYS 24 -1.649 5.352 -5.228 152 2HB CYS 24 2HB CYS 24 -0.540 6.519 -4.468 153 H ARG 25 H ARG 25 -2.903 6.218 -1.000 154 HA ARG 25 HA ARG 25 -5.370 7.398 -1.929 155 1HB ARG 25 1HB ARG 25 -3.953 7.686 0.817 156 2HB ARG 25 2HB ARG 25 -5.615 8.154 0.509 157 1HG ARG 25 1HG ARG 25 -6.260 5.793 -0.003 158 2HG ARG 25 2HG ARG 25 -4.586 5.285 0.151 159 1HD ARG 25 1HD ARG 25 -5.670 4.648 2.171 160 2HD ARG 25 2HD ARG 25 -4.540 5.915 2.582 161 1HH1 ARG 25 2HH2 ARG 25 -4.542 7.746 3.343 162 2HH1 ARG 25 1HH2 ARG 25 -5.461 9.000 4.317 163 1HH2 ARG 25 1HH1 ARG 25 -8.531 7.587 3.664 164 2HH2 ARG 25 2HH1 ARG 25 -7.565 8.914 4.485 165 H GLN 26 H GLN 26 -2.872 9.256 -0.185 166 HA GLN 26 HA GLN 26 -3.714 11.801 -1.728 167 1HB GLN 26 1HB GLN 26 -2.534 11.533 1.104 168 2HB GLN 26 2HB GLN 26 -2.742 13.053 0.245 169 1HG GLN 26 1HG GLN 26 -5.219 12.725 0.133 170 2HG GLN 26 2HG GLN 26 -5.090 11.155 0.905 171 1HE2 GLN 26 2HE2 GLN 26 -4.838 12.576 4.213 172 2HE2 GLN 26 1HE2 GLN 26 -4.762 11.073 3.162 173 HA PRO 27 HA PRO 27 0.549 10.436 -3.084 174 1HB PRO 27 1HB PRO 27 0.643 11.632 -5.620 175 2HB PRO 27 2HB PRO 27 -0.230 10.139 -5.250 176 1HG PRO 27 1HG PRO 27 -1.375 12.971 -5.393 177 2HG PRO 27 2HG PRO 27 -2.017 11.493 -6.149 178 1HD PRO 27 1HD PRO 27 -3.029 12.442 -3.776 179 2HD PRO 27 2HD PRO 27 -2.888 10.677 -4.049 180 HA PRO 28 HA PRO 28 2.784 10.567 -3.931 181 1HB PRO 28 1HB PRO 28 5.333 10.892 -2.936 182 2HB PRO 28 2HB PRO 28 4.720 11.865 -4.278 183 1HG PRO 28 1HG PRO 28 4.817 12.650 -1.312 184 2HG PRO 28 2HG PRO 28 5.451 13.570 -2.701 185 1HD PRO 28 1HD PRO 28 2.940 14.072 -1.630 186 2HD PRO 28 2HD PRO 28 3.251 14.252 -3.382 187 H LYS 29 H LYS 29 1.700 11.132 -0.803 188 HA LYS 29 HA LYS 29 3.113 8.869 0.576 189 1HB LYS 29 1HB LYS 29 0.662 10.563 1.418 190 2HB LYS 29 2HB LYS 29 1.380 9.298 2.402 191 1HG LYS 29 1HG LYS 29 3.582 10.512 2.441 192 2HG LYS 29 2HG LYS 29 2.891 11.808 1.464 193 1HD LYS 29 1HD LYS 29 1.165 12.252 3.293 194 2HD LYS 29 2HD LYS 29 1.868 10.952 4.244 195 1HE LYS 29 1HE LYS 29 2.744 12.992 5.155 196 2HE LYS 29 2HE LYS 29 4.089 12.211 4.328 197 1HZ LYS 29 1HZ LYS 29 4.011 14.545 3.840 198 2HZ LYS 29 2HZ LYS 29 3.742 13.713 2.459 199 H CYS 30 H CYS 30 2.707 6.945 -0.024 200 HA CYS 30 HA CYS 30 -0.151 5.811 -0.418 201 1HB CYS 30 1HB CYS 30 2.075 5.453 -2.104 202 2HB CYS 30 2HB CYS 30 2.244 4.148 -1.037 203 H ILE 31 H ILE 31 -0.176 3.697 0.287 204 HA ILE 31 HA ILE 31 1.604 2.738 2.447 205 HB ILE 31 HB ILE 31 -0.231 2.058 4.242 206 1HG1 ILE 31 1HG1 ILE 31 -1.869 4.402 3.081 207 2HG1 ILE 31 2HG1 ILE 31 -2.130 2.696 2.659 208 1HG2 ILE 31 2HG2 ILE 31 1.523 3.725 4.657 209 2HG2 ILE 31 3HG2 ILE 31 0.442 5.044 4.066 210 3HG2 ILE 31 1HG2 ILE 31 0.026 4.061 5.507 211 1HD1 ILE 31 2HD1 ILE 31 -2.470 2.037 5.019 212 2HD1 ILE 31 3HD1 ILE 31 -2.259 3.725 5.546 213 3HD1 ILE 31 1HD1 ILE 31 -3.641 3.278 4.504 214 H CYS 32 H CYS 32 0.754 0.566 3.348 215 HA CYS 32 HA CYS 32 -0.386 -1.087 1.156 216 1HB CYS 32 1HB CYS 32 0.915 -1.694 3.777 217 2HB CYS 32 2HB CYS 32 0.510 -2.841 2.599 218 H ARG 33 H ARG 33 -2.026 -1.974 1.460 219 HA ARG 33 HA ARG 33 -4.088 -1.367 3.718 220 1HB ARG 33 1HB ARG 33 -4.010 0.426 1.926 221 2HB ARG 33 2HB ARG 33 -4.191 -0.837 0.674 222 1HG ARG 33 1HG ARG 33 -6.179 0.421 0.895 223 2HG ARG 33 2HG ARG 33 -6.430 -1.266 1.265 224 1HD ARG 33 1HD ARG 33 -7.786 -0.021 2.836 225 2HD ARG 33 2HD ARG 33 -6.449 -0.661 3.789 226 1HH1 ARG 33 2HH2 ARG 33 -7.889 0.438 5.200 227 2HH1 ARG 33 1HH2 ARG 33 -7.914 1.952 6.237 228 1HH2 ARG 33 1HH1 ARG 33 -5.863 3.717 4.110 229 2HH2 ARG 33 2HH1 ARG 33 -6.845 3.679 5.660 230 H ASN 34 H ASN 34 -5.778 -2.673 4.045 231 HA ASN 34 HA ASN 34 -5.552 -5.513 3.456 232 1HB ASN 34 1HB ASN 34 -8.003 -3.896 4.455 233 2HB ASN 34 2HB ASN 34 -7.977 -5.638 4.383 234 1HD2 ASN 34 1HD2 ASN 34 -5.868 -6.005 7.311 235 2HD2 ASN 34 2HD2 ASN 34 -6.264 -6.764 5.688 236 H ASN 35 H ASN 35 -6.185 -6.701 1.838 237 HA ASN 35 HA ASN 35 -7.794 -5.739 -0.514 238 1HB ASN 35 1HB ASN 35 -6.695 -8.532 0.282 239 2HB ASN 35 2HB ASN 35 -7.646 -8.266 -1.155 240 1HD2 ASN 35 1HD2 ASN 35 -4.852 -7.051 -3.037 241 2HD2 ASN 35 2HD2 ASN 35 -6.645 -7.437 -2.982 242 H ASN 36 H ASN 36 -8.382 -8.379 1.922 243 HA ASN 36 HA ASN 36 -11.409 -8.050 1.502 244 1HB ASN 36 1HB ASN 36 -9.806 -10.323 2.863 245 2HB ASN 36 2HB ASN 36 -11.550 -10.204 2.853 246 1HD2 ASN 36 1HD2 ASN 36 -9.801 -11.792 -0.441 247 2HD2 ASN 36 2HD2 ASN 36 -8.851 -11.254 1.034 248 1HN NH2 37 1HN NH2 37 -12.303 -6.369 2.901 249 2HN NH2 37 2HN NH2 37 -11.853 -6.197 4.611 No H/Q in entry = 249 No H/Q in entry = 249
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