NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2227 | 1bku | 4219 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 2H CYS 1 14.435 -3.317 5.079 2 2H CYS 1 3H CYS 1 14.886 -1.991 4.208 3 3H CYS 1 1H CYS 1 13.467 -2.760 3.864 4 HA CYS 1 HA CYS 1 14.586 -4.701 3.192 5 1HB CYS 1 1HB CYS 1 14.030 -3.088 1.494 6 2HB CYS 1 2HB CYS 1 15.477 -2.143 1.834 7 H SER 2 H SER 2 16.183 -6.001 3.753 8 HA SER 2 HA SER 2 18.757 -4.907 4.780 9 1HB SER 2 1HB SER 2 17.393 -7.598 5.217 10 2HB SER 2 2HB SER 2 18.952 -7.087 5.897 11 HG SER 2 HG SER 2 16.443 -5.836 6.321 12 H ASN 3 H ASN 3 17.495 -7.759 2.974 13 HA ASN 3 HA ASN 3 19.768 -7.612 1.067 14 1HB ASN 3 1HB ASN 3 19.020 -10.064 2.723 15 2HB ASN 3 2HB ASN 3 20.123 -10.051 1.339 16 1HD2 ASN 3 1HD2 ASN 3 21.387 -8.759 5.027 17 2HD2 ASN 3 2HD2 ASN 3 19.719 -9.198 4.733 18 H LEU 4 H LEU 4 16.942 -9.667 1.957 19 HA LEU 4 HA LEU 4 15.611 -9.054 -0.539 20 1HB LEU 4 1HB LEU 4 15.550 -11.181 -1.514 21 2HB LEU 4 2HB LEU 4 17.241 -10.751 -1.298 22 HG LEU 4 HG LEU 4 15.665 -12.715 0.442 23 1HD1 LEU 4 1HD1 LEU 4 16.013 -13.499 -1.864 24 2HD1 LEU 4 2HD1 LEU 4 17.755 -13.184 -1.716 25 3HD1 LEU 4 3HD1 LEU 4 16.983 -14.429 -0.711 26 1HD2 LEU 4 2HD2 LEU 4 18.631 -11.982 0.419 27 2HD2 LEU 4 3HD2 LEU 4 17.501 -11.799 1.782 28 3HD2 LEU 4 1HD2 LEU 4 17.954 -13.408 1.231 29 H SER 5 H SER 5 15.710 -11.004 2.435 30 HA SER 5 HA SER 5 12.994 -11.842 2.378 31 1HB SER 5 1HB SER 5 13.366 -12.321 4.794 32 2HB SER 5 2HB SER 5 14.623 -12.986 3.735 33 HG SER 5 HG SER 5 15.929 -11.200 4.286 34 H THR 6 H THR 6 14.505 -9.337 4.465 35 HA THR 6 HA THR 6 12.136 -8.123 5.357 36 HB THR 6 HB THR 6 14.897 -6.905 4.992 37 HG1 THR 6 HG1 THR 6 13.768 -8.365 7.137 38 1HG2 THR 6 3HG2 THR 6 12.626 -6.208 6.909 39 2HG2 THR 6 1HG2 THR 6 14.268 -5.534 6.975 40 3HG2 THR 6 2HG2 THR 6 13.229 -5.184 5.587 41 H CYS 7 H CYS 7 13.957 -7.659 2.343 42 HA CYS 7 HA CYS 7 12.823 -5.149 1.587 43 1HB CYS 7 1HB CYS 7 13.939 -7.345 -0.178 44 2HB CYS 7 2HB CYS 7 13.753 -5.645 -0.606 45 H VAL 8 H VAL 8 12.028 -8.532 0.616 46 HA VAL 8 HA VAL 8 9.777 -7.821 -0.994 47 HB VAL 8 HB VAL 8 10.701 -10.421 0.275 48 1HG1 VAL 8 3HG2 VAL 8 8.352 -9.953 -1.614 49 2HG1 VAL 8 1HG2 VAL 8 9.082 -11.537 -1.281 50 3HG1 VAL 8 2HG2 VAL 8 8.285 -10.651 0.021 51 1HG2 VAL 8 3HG1 VAL 8 12.076 -9.419 -1.603 52 2HG2 VAL 8 1HG1 VAL 8 11.337 -10.971 -2.027 53 3HG2 VAL 8 2HG1 VAL 8 10.631 -9.456 -2.625 54 H LEU 9 H LEU 9 10.031 -9.000 2.410 55 HA LEU 9 HA LEU 9 7.258 -9.016 2.982 56 1HB LEU 9 1HB LEU 9 9.689 -8.508 4.733 57 2HB LEU 9 2HB LEU 9 8.060 -8.717 5.380 58 HG LEU 9 HG LEU 9 9.425 -10.838 3.662 59 1HD1 LEU 9 3HD1 LEU 9 10.751 -10.423 5.710 60 2HD1 LEU 9 1HD1 LEU 9 9.288 -10.618 6.698 61 3HD1 LEU 9 2HD1 LEU 9 9.933 -11.994 5.776 62 1HD2 LEU 9 3HD2 LEU 9 7.015 -10.929 5.531 63 2HD2 LEU 9 1HD2 LEU 9 6.976 -11.078 3.760 64 3HD2 LEU 9 2HD2 LEU 9 7.752 -12.331 4.731 65 H GLY 10 H GLY 10 9.672 -6.383 3.254 66 1HA GLY 10 1HA GLY 10 8.007 -4.391 4.375 67 2HA GLY 10 2HA GLY 10 9.467 -4.132 3.407 68 H LYS 11 H LYS 11 8.725 -5.237 0.949 69 HA LYS 11 HA LYS 11 7.314 -3.118 -0.278 70 1HB LYS 11 1HB LYS 11 8.999 -4.500 -1.394 71 2HB LYS 11 2HB LYS 11 7.941 -5.917 -1.280 72 1HG LYS 11 1HG LYS 11 6.290 -4.842 -2.762 73 2HG LYS 11 2HG LYS 11 7.241 -3.347 -2.757 74 1HD LYS 11 1HD LYS 11 7.620 -4.541 -4.822 75 2HD LYS 11 2HD LYS 11 9.116 -4.531 -3.874 76 1HE LYS 11 1HE LYS 11 8.718 -6.863 -3.175 77 2HE LYS 11 2HE LYS 11 7.137 -6.857 -3.985 78 1HZ LYS 11 2HZ LYS 11 8.283 -6.545 -6.049 79 2HZ LYS 11 3HZ LYS 11 9.745 -6.542 -5.287 80 3HZ LYS 11 1HZ LYS 11 8.819 -7.906 -5.288 81 H LEU 12 H LEU 12 6.290 -6.497 0.444 82 HA LEU 12 HA LEU 12 3.642 -6.275 -0.567 83 1HB LEU 12 1HB LEU 12 4.864 -8.063 1.569 84 2HB LEU 12 2HB LEU 12 3.246 -8.302 0.899 85 HG LEU 12 HG LEU 12 5.763 -8.291 -0.820 86 1HD1 LEU 12 2HD1 LEU 12 5.892 -10.098 0.856 87 2HD1 LEU 12 3HD1 LEU 12 4.271 -10.656 0.388 88 3HD1 LEU 12 1HD1 LEU 12 5.618 -10.751 -0.769 89 1HD2 LEU 12 2HD2 LEU 12 2.925 -9.284 -1.334 90 2HD2 LEU 12 3HD2 LEU 12 3.703 -7.885 -2.106 91 3HD2 LEU 12 1HD2 LEU 12 4.308 -9.514 -2.423 92 H SER 13 H SER 13 4.986 -5.753 2.709 93 HA SER 13 HA SER 13 2.535 -5.262 4.045 94 1HB SER 13 1HB SER 13 4.647 -5.732 5.201 95 2HB SER 13 2HB SER 13 5.323 -4.187 4.642 96 HG SER 13 HG SER 13 3.623 -3.153 5.782 97 H GLN 14 H GLN 14 4.779 -3.044 2.320 98 HA GLN 14 HA GLN 14 3.357 -0.655 2.943 99 1HB GLN 14 1HB GLN 14 5.707 -0.664 2.291 100 2HB GLN 14 2HB GLN 14 5.304 -1.312 0.697 101 1HG GLN 14 1HG GLN 14 5.749 1.125 0.652 102 2HG GLN 14 2HG GLN 14 4.127 0.727 0.086 103 1HE2 GLN 14 1HE2 GLN 14 4.577 2.585 3.796 104 2HE2 GLN 14 2HE2 GLN 14 5.827 1.519 3.191 105 H GLU 15 H GLU 15 3.169 -2.972 0.212 106 HA GLU 15 HA GLU 15 1.384 -1.483 -1.414 107 1HB GLU 15 1HB GLU 15 2.800 -3.506 -2.007 108 2HB GLU 15 2HB GLU 15 1.583 -4.521 -1.232 109 1HG GLU 15 1HG GLU 15 1.165 -2.612 -3.583 110 2HG GLU 15 2HG GLU 15 1.343 -4.365 -3.698 111 H LEU 16 H LEU 16 0.812 -4.023 1.073 112 HA LEU 16 HA LEU 16 -1.991 -4.070 1.005 113 1HB LEU 16 1HB LEU 16 -0.508 -5.717 2.034 114 2HB LEU 16 2HB LEU 16 -0.076 -4.600 3.327 115 HG LEU 16 HG LEU 16 -2.986 -5.286 2.826 116 1HD1 LEU 16 2HD1 LEU 16 -1.002 -7.015 4.362 117 2HD1 LEU 16 3HD1 LEU 16 -2.766 -7.235 4.341 118 3HD1 LEU 16 1HD1 LEU 16 -1.833 -7.454 2.852 119 1HD2 LEU 16 2HD2 LEU 16 -1.386 -4.696 5.370 120 2HD2 LEU 16 3HD2 LEU 16 -2.509 -3.574 4.581 121 3HD2 LEU 16 1HD2 LEU 16 -3.121 -5.056 5.310 122 H HIS 17 H HIS 17 0.255 -2.080 2.993 123 HA HIS 17 HA HIS 17 -1.701 -0.698 4.493 124 1HB HIS 17 1HB HIS 17 0.640 -0.764 5.136 125 2HB HIS 17 2HB HIS 17 1.114 0.084 3.658 126 HD1 HIS 17 HD1 HIS 17 -1.410 0.817 6.479 127 HD2 HIS 17 HD2 HIS 17 1.550 2.720 4.201 128 HE1 HIS 17 HE1 HIS 17 -1.300 3.237 7.247 129 H LYS 18 H LYS 18 -0.205 0.058 1.316 130 HA LYS 18 HA LYS 18 -1.270 2.643 0.974 131 1HB LYS 18 1HB LYS 18 0.535 1.769 -0.351 132 2HB LYS 18 2HB LYS 18 -0.488 0.520 -1.055 133 1HG LYS 18 1HG LYS 18 -1.279 3.418 -1.343 134 2HG LYS 18 2HG LYS 18 0.066 2.829 -2.312 135 1HD LYS 18 1HD LYS 18 -2.553 1.298 -2.386 136 2HD LYS 18 2HD LYS 18 -2.372 2.813 -3.268 137 1HE LYS 18 1HE LYS 18 -1.899 0.958 -4.736 138 2HE LYS 18 2HE LYS 18 -0.435 1.924 -4.495 139 1HZ LYS 18 3HZ LYS 18 -1.064 -0.603 -3.133 140 2HZ LYS 18 1HZ LYS 18 -0.026 -0.421 -4.399 141 3HZ LYS 18 2HZ LYS 18 0.318 0.280 -2.949 142 H LEU 19 H LEU 19 -2.636 -0.582 0.117 143 HA LEU 19 HA LEU 19 -5.078 0.464 -0.996 144 1HB LEU 19 1HB LEU 19 -4.455 -2.254 0.230 145 2HB LEU 19 2HB LEU 19 -5.915 -1.856 -0.679 146 HG LEU 19 HG LEU 19 -3.080 -1.764 -1.793 147 1HD1 LEU 19 2HD1 LEU 19 -5.292 -3.840 -2.095 148 2HD1 LEU 19 3HD1 LEU 19 -3.756 -3.847 -2.982 149 3HD1 LEU 19 1HD1 LEU 19 -3.759 -4.053 -1.221 150 1HD2 LEU 19 2HD2 LEU 19 -5.790 -1.517 -3.168 151 2HD2 LEU 19 3HD2 LEU 19 -4.541 -0.252 -3.050 152 3HD2 LEU 19 1HD2 LEU 19 -4.235 -1.704 -4.004 153 H GLN 20 H GLN 20 -4.567 -1.271 2.073 154 HA GLN 20 HA GLN 20 -5.667 -1.453 3.942 155 1HB GLN 20 1HB GLN 20 -6.099 0.538 5.288 156 2HB GLN 20 2HB GLN 20 -4.476 0.383 4.627 157 1HG GLN 20 1HG GLN 20 -4.968 2.140 2.946 158 2HG GLN 20 2HG GLN 20 -6.612 2.297 3.592 159 1HE2 GLN 20 1HE2 GLN 20 -3.398 3.720 5.783 160 2HE2 GLN 20 2HE2 GLN 20 -3.154 2.467 4.585 161 H THR 21 H THR 21 -7.681 1.148 2.506 162 HA THR 21 HA THR 21 -10.122 -0.502 2.993 163 HB THR 21 HB THR 21 -9.782 2.516 2.714 164 HG1 THR 21 HG1 THR 21 -10.413 0.870 4.932 165 1HG2 THR 21 3HG2 THR 21 -12.246 0.815 3.320 166 2HG2 THR 21 1HG2 THR 21 -12.168 2.588 3.395 167 3HG2 THR 21 2HG2 THR 21 -11.976 1.762 1.840 168 H TYR 22 H TYR 22 -8.532 1.837 0.784 169 HA TYR 22 HA TYR 22 -8.623 2.221 -1.409 170 1HB TYR 22 1HB TYR 22 -7.571 -0.028 -1.316 171 2HB TYR 22 2HB TYR 22 -9.121 -0.753 -1.707 172 HD1 TYR 22 HD2 TYR 22 -6.429 1.532 -2.906 173 HD2 TYR 22 HD1 TYR 22 -9.912 -0.754 -4.025 174 HE1 TYR 22 HE2 TYR 22 -5.912 1.907 -5.298 175 HE2 TYR 22 HE1 TYR 22 -9.451 -0.284 -6.409 176 HH TYR 22 HH TYR 22 -6.629 1.657 -7.468 177 HA PRO 23 HA PRO 23 -13.237 2.323 -1.893 178 1HB PRO 23 1HB PRO 23 -13.731 4.930 -1.410 179 2HB PRO 23 2HB PRO 23 -13.415 3.798 -0.070 180 1HG PRO 23 1HG PRO 23 -11.415 5.662 -1.384 181 2HG PRO 23 2HG PRO 23 -11.765 5.484 0.358 182 1HD PRO 23 2HD PRO 23 -9.713 4.151 -0.910 183 2HD PRO 23 1HD PRO 23 -10.597 3.459 0.480 184 H ARG 24 H ARG 24 -11.754 1.776 -3.905 185 HA ARG 24 HA ARG 24 -10.952 2.117 -5.979 186 1HB ARG 24 1HB ARG 24 -12.999 4.367 -6.196 187 2HB ARG 24 2HB ARG 24 -12.189 3.527 -7.521 188 1HG ARG 24 1HG ARG 24 -14.177 2.307 -5.551 189 2HG ARG 24 2HG ARG 24 -14.471 2.743 -7.236 190 1HD ARG 24 1HD ARG 24 -12.694 1.066 -7.920 191 2HD ARG 24 2HD ARG 24 -12.585 0.571 -6.225 192 HE ARG 24 HE ARG 24 -14.537 -0.575 -6.368 193 1HH1 ARG 24 2HH2 ARG 24 -14.307 1.510 -9.251 194 2HH1 ARG 24 1HH2 ARG 24 -15.675 0.754 -10.033 195 1HH2 ARG 24 1HH1 ARG 24 -16.313 -1.525 -7.419 196 2HH2 ARG 24 2HH1 ARG 24 -16.813 -0.960 -8.997 197 H THR 25 H THR 25 -9.146 2.759 -4.536 198 HA THR 25 HA THR 25 -7.252 3.891 -4.242 199 HB THR 25 HB THR 25 -8.235 6.133 -6.047 200 HG1 THR 25 HG1 THR 25 -7.040 4.983 -7.604 201 1HG2 THR 25 2HG2 THR 25 -5.461 5.286 -5.125 202 2HG2 THR 25 3HG2 THR 25 -5.819 6.529 -6.341 203 3HG2 THR 25 1HG2 THR 25 -6.316 6.775 -4.661 204 H ASP 26 H ASP 26 -6.552 5.058 -2.563 205 HA ASP 26 HA ASP 26 -8.571 6.179 -0.777 206 1HB ASP 26 1HB ASP 26 -5.572 5.786 -0.437 207 2HB ASP 26 2HB ASP 26 -6.736 6.177 0.840 208 H VAL 27 H VAL 27 -8.947 7.908 -2.514 209 HA VAL 27 HA VAL 27 -7.037 10.069 -2.739 210 HB VAL 27 HB VAL 27 -10.004 9.916 -3.430 211 1HG1 VAL 27 3HG1 VAL 27 -7.861 11.936 -4.236 212 2HG1 VAL 27 1HG1 VAL 27 -9.506 11.857 -4.901 213 3HG1 VAL 27 2HG1 VAL 27 -9.265 12.260 -3.197 214 1HG2 VAL 27 3HG2 VAL 27 -7.506 9.543 -5.145 215 2HG2 VAL 27 1HG2 VAL 27 -8.679 8.280 -4.715 216 3HG2 VAL 27 2HG2 VAL 27 -9.173 9.621 -5.753 217 H GLY 28 H GLY 28 -10.221 9.696 -1.086 218 1HA GLY 28 2HA GLY 28 -10.908 10.486 0.963 219 2HA GLY 28 1HA GLY 28 -9.366 11.320 1.201 220 H ALA 29 H ALA 29 -8.998 13.191 -0.425 221 HA ALA 29 HA ALA 29 -11.304 15.013 -0.337 222 1HB ALA 29 3HB ALA 29 -9.098 15.779 0.393 223 2HB ALA 29 1HB ALA 29 -8.414 15.413 -1.204 224 3HB ALA 29 2HB ALA 29 -9.642 16.688 -1.029 225 H GLY 30 H GLY 30 -12.351 13.327 -1.892 226 1HA GLY 30 2HA GLY 30 -11.631 13.389 -4.694 227 2HA GLY 30 1HA GLY 30 -13.141 12.801 -3.978 228 H THR 31 H THR 31 -14.401 14.731 -2.841 229 HA THR 31 HA THR 31 -14.420 17.187 -4.534 230 HB THR 31 HB THR 31 -16.872 15.604 -3.690 231 HG1 THR 31 HG1 THR 31 -17.027 15.253 -5.928 232 1HG2 THR 31 3HG2 THR 31 -16.535 18.094 -5.435 233 2HG2 THR 31 1HG2 THR 31 -18.053 17.215 -5.162 234 3HG2 THR 31 2HG2 THR 31 -17.276 18.070 -3.822 235 HA PRO 32 HA PRO 32 -14.144 17.846 0.054 236 1HB PRO 32 1HB PRO 32 -12.190 19.754 0.116 237 2HB PRO 32 2HB PRO 32 -11.855 18.009 -0.066 238 1HG PRO 32 1HG PRO 32 -12.019 20.086 -2.259 239 2HG PRO 32 2HG PRO 32 -10.751 18.857 -2.002 240 1HD PRO 32 1HD PRO 32 -12.803 18.486 -3.754 241 2HD PRO 32 2HD PRO 32 -12.141 17.126 -2.799 242 1HN NH2 33 1HN NH2 33 -15.270 21.474 -1.660 243 2HN NH2 33 2HN NH2 33 -14.112 20.450 -2.478 No H/Q in entry = 243 Start of MODEL 2 1 1H CYS 1 3H CYS 1 17.612 -1.838 3.539 2 2H CYS 1 1H CYS 1 18.209 -1.410 2.063 3 3H CYS 1 2H CYS 1 16.729 -0.865 2.544 4 HA CYS 1 HA CYS 1 15.844 -3.037 2.562 5 1HB CYS 1 1HB CYS 1 15.589 -1.710 0.558 6 2HB CYS 1 2HB CYS 1 17.167 -2.205 -0.040 7 H SER 2 H SER 2 18.782 -3.343 0.541 8 HA SER 2 HA SER 2 20.317 -4.932 0.267 9 1HB SER 2 1HB SER 2 20.094 -5.160 3.299 10 2HB SER 2 2HB SER 2 21.404 -5.822 2.300 11 HG SER 2 HG SER 2 21.874 -3.754 3.141 12 H ASN 3 H ASN 3 19.114 -6.892 2.946 13 HA ASN 3 HA ASN 3 18.916 -9.216 1.290 14 1HB ASN 3 1HB ASN 3 17.944 -8.691 4.130 15 2HB ASN 3 2HB ASN 3 18.094 -10.281 3.367 16 1HD2 ASN 3 1HD2 ASN 3 21.704 -10.350 3.492 17 2HD2 ASN 3 2HD2 ASN 3 20.328 -10.887 2.552 18 H LEU 4 H LEU 4 17.276 -9.771 0.001 19 HA LEU 4 HA LEU 4 14.667 -8.437 0.117 20 1HB LEU 4 1HB LEU 4 15.702 -10.622 -1.723 21 2HB LEU 4 2HB LEU 4 14.231 -9.658 -1.937 22 HG LEU 4 HG LEU 4 17.112 -8.645 -2.030 23 1HD1 LEU 4 1HD1 LEU 4 16.381 -9.940 -4.002 24 2HD1 LEU 4 2HD1 LEU 4 14.970 -8.874 -4.183 25 3HD1 LEU 4 3HD1 LEU 4 16.611 -8.227 -4.395 26 1HD2 LEU 4 1HD2 LEU 4 14.486 -7.116 -2.315 27 2HD2 LEU 4 2HD2 LEU 4 15.745 -6.862 -1.083 28 3HD2 LEU 4 3HD2 LEU 4 16.081 -6.483 -2.774 29 H SER 5 H SER 5 14.552 -9.330 2.385 30 HA SER 5 HA SER 5 12.738 -11.652 2.381 31 1HB SER 5 1HB SER 5 14.911 -12.662 2.899 32 2HB SER 5 2HB SER 5 15.218 -11.451 4.157 33 HG SER 5 HG SER 5 13.066 -13.304 4.100 34 H THR 6 H THR 6 14.488 -9.483 4.676 35 HA THR 6 HA THR 6 12.123 -8.719 6.136 36 HB THR 6 HB THR 6 14.859 -7.385 5.891 37 HG1 THR 6 HG1 THR 6 15.235 -8.529 7.821 38 1HG2 THR 6 3HG2 THR 6 12.657 -7.091 7.987 39 2HG2 THR 6 1HG2 THR 6 14.289 -6.401 8.103 40 3HG2 THR 6 2HG2 THR 6 13.182 -5.835 6.843 41 H CYS 7 H CYS 7 14.088 -7.261 3.503 42 HA CYS 7 HA CYS 7 12.625 -4.859 3.243 43 1HB CYS 7 1HB CYS 7 14.873 -5.198 2.372 44 2HB CYS 7 2HB CYS 7 14.275 -6.383 1.206 45 H VAL 8 H VAL 8 12.331 -7.974 1.400 46 HA VAL 8 HA VAL 8 10.361 -6.936 -0.345 47 HB VAL 8 HB VAL 8 11.891 -8.888 -0.747 48 1HG1 VAL 8 2HG2 VAL 8 11.344 -10.158 1.331 49 2HG1 VAL 8 3HG2 VAL 8 9.746 -10.536 0.654 50 3HG1 VAL 8 1HG2 VAL 8 11.213 -11.115 -0.153 51 1HG2 VAL 8 3HG1 VAL 8 10.066 -8.264 -2.284 52 2HG2 VAL 8 1HG1 VAL 8 10.295 -10.020 -2.230 53 3HG2 VAL 8 2HG1 VAL 8 8.933 -9.279 -1.367 54 H LEU 9 H LEU 9 10.035 -8.833 2.697 55 HA LEU 9 HA LEU 9 7.184 -9.043 2.630 56 1HB LEU 9 1HB LEU 9 9.189 -9.036 4.911 57 2HB LEU 9 2HB LEU 9 7.464 -9.326 5.143 58 HG LEU 9 HG LEU 9 9.211 -11.052 3.335 59 1HD1 LEU 9 1HD1 LEU 9 9.924 -11.178 5.725 60 2HD1 LEU 9 2HD1 LEU 9 8.254 -11.554 6.189 61 3HD1 LEU 9 3HD1 LEU 9 9.175 -12.685 5.174 62 1HD2 LEU 9 1HD2 LEU 9 6.389 -11.422 4.434 63 2HD2 LEU 9 2HD2 LEU 9 6.842 -11.216 2.728 64 3HD2 LEU 9 3HD2 LEU 9 7.328 -12.672 3.595 65 H GLY 10 H GLY 10 9.398 -6.584 4.027 66 1HA GLY 10 1HA GLY 10 7.488 -4.897 5.224 67 2HA GLY 10 2HA GLY 10 9.066 -4.409 4.583 68 H LYS 11 H LYS 11 8.765 -4.967 1.866 69 HA LYS 11 HA LYS 11 7.519 -2.615 0.942 70 1HB LYS 11 1HB LYS 11 9.438 -3.723 -0.090 71 2HB LYS 11 2HB LYS 11 8.432 -5.065 -0.635 72 1HG LYS 11 1HG LYS 11 7.821 -2.185 -1.421 73 2HG LYS 11 2HG LYS 11 9.064 -3.133 -2.246 74 1HD LYS 11 1HD LYS 11 7.390 -4.865 -2.847 75 2HD LYS 11 2HD LYS 11 6.118 -3.901 -2.083 76 1HE LYS 11 1HE LYS 11 6.035 -3.508 -4.436 77 2HE LYS 11 2HE LYS 11 6.582 -2.026 -3.632 78 1HZ LYS 11 3HZ LYS 11 8.305 -3.994 -4.973 79 2HZ LYS 11 1HZ LYS 11 7.843 -2.537 -5.594 80 3HZ LYS 11 2HZ LYS 11 8.814 -2.594 -4.264 81 H LEU 12 H LEU 12 6.529 -6.069 0.387 82 HA LEU 12 HA LEU 12 4.132 -5.310 -0.922 83 1HB LEU 12 1HB LEU 12 3.538 -7.612 -0.958 84 2HB LEU 12 2HB LEU 12 5.245 -7.389 -1.315 85 HG LEU 12 HG LEU 12 5.531 -7.930 1.288 86 1HD1 LEU 12 2HD2 LEU 12 3.067 -8.155 1.772 87 2HD1 LEU 12 3HD2 LEU 12 2.974 -9.438 0.556 88 3HD1 LEU 12 1HD2 LEU 12 3.941 -9.668 2.025 89 1HD2 LEU 12 2HD1 LEU 12 4.966 -10.025 -0.850 90 2HD2 LEU 12 3HD1 LEU 12 6.518 -9.208 -0.576 91 3HD2 LEU 12 1HD1 LEU 12 5.866 -10.298 0.656 92 H SER 13 H SER 13 4.805 -5.934 2.526 93 HA SER 13 HA SER 13 2.101 -6.021 3.410 94 1HB SER 13 1HB SER 13 3.973 -6.747 4.803 95 2HB SER 13 2HB SER 13 4.617 -5.090 4.859 96 HG SER 13 HG SER 13 2.661 -4.476 5.877 97 H GLN 14 H GLN 14 4.447 -3.289 3.164 98 HA GLN 14 HA GLN 14 2.655 -1.284 4.049 99 1HB GLN 14 1HB GLN 14 5.097 -1.049 4.059 100 2HB GLN 14 2HB GLN 14 5.132 -1.094 2.290 101 1HG GLN 14 1HG GLN 14 5.356 1.187 3.118 102 2HG GLN 14 2HG GLN 14 3.871 1.029 2.186 103 1HE2 GLN 14 1HE2 GLN 14 1.715 1.805 4.924 104 2HE2 GLN 14 2HE2 GLN 14 1.828 1.199 3.285 105 H GLU 15 H GLU 15 3.353 -2.604 0.795 106 HA GLU 15 HA GLU 15 1.974 -0.646 -0.721 107 1HB GLU 15 1HB GLU 15 3.617 -2.224 -1.627 108 2HB GLU 15 2HB GLU 15 2.519 -3.581 -1.319 109 1HG GLU 15 1HG GLU 15 0.893 -2.665 -2.916 110 2HG GLU 15 2HG GLU 15 1.895 -1.220 -3.144 111 H LEU 16 H LEU 16 0.913 -3.888 0.449 112 HA LEU 16 HA LEU 16 -1.767 -3.741 -0.447 113 1HB LEU 16 1HB LEU 16 -0.443 -5.247 1.832 114 2HB LEU 16 2HB LEU 16 -2.128 -5.501 1.368 115 HG LEU 16 HG LEU 16 0.165 -5.847 -0.613 116 1HD1 LEU 16 3HD1 LEU 16 0.483 -7.385 1.303 117 2HD1 LEU 16 1HD1 LEU 16 -1.189 -7.955 1.123 118 3HD1 LEU 16 2HD1 LEU 16 0.002 -8.261 -0.160 119 1HD2 LEU 16 2HD2 LEU 16 -2.724 -6.828 -0.595 120 2HD2 LEU 16 3HD2 LEU 16 -2.053 -5.577 -1.662 121 3HD2 LEU 16 1HD2 LEU 16 -1.498 -7.247 -1.807 122 H HIS 17 H HIS 17 -0.316 -2.852 2.717 123 HA HIS 17 HA HIS 17 -2.645 -2.062 4.070 124 1HB HIS 17 1HB HIS 17 -0.512 -2.350 5.176 125 2HB HIS 17 2HB HIS 17 0.227 -1.082 4.198 126 HD1 HIS 17 HD1 HIS 17 -3.160 -0.344 5.655 127 HD2 HIS 17 HD2 HIS 17 0.876 0.330 6.559 128 HE1 HIS 17 HE1 HIS 17 -3.070 1.460 7.449 129 H LYS 18 H LYS 18 -0.401 -0.078 2.089 130 HA LYS 18 HA LYS 18 -1.646 2.399 2.390 131 1HB LYS 18 1HB LYS 18 0.608 2.118 1.556 132 2HB LYS 18 2HB LYS 18 0.015 1.271 0.115 133 1HG LYS 18 1HG LYS 18 -1.090 3.326 -0.672 134 2HG LYS 18 2HG LYS 18 -0.672 4.151 0.835 135 1HD LYS 18 1HD LYS 18 0.818 4.794 -1.018 136 2HD LYS 18 2HD LYS 18 1.699 4.048 0.321 137 1HE LYS 18 1HE LYS 18 2.500 3.305 -1.910 138 2HE LYS 18 2HE LYS 18 1.939 1.958 -0.917 139 1HZ LYS 18 3HZ LYS 18 0.400 3.277 -3.043 140 2HZ LYS 18 1HZ LYS 18 1.158 1.817 -3.161 141 3HZ LYS 18 2HZ LYS 18 -0.117 2.002 -2.133 142 H LEU 19 H LEU 19 -2.021 0.088 -0.398 143 HA LEU 19 HA LEU 19 -4.025 1.734 -1.616 144 1HB LEU 19 1HB LEU 19 -4.264 0.031 -3.259 145 2HB LEU 19 2HB LEU 19 -2.566 0.268 -2.865 146 HG LEU 19 HG LEU 19 -2.977 -1.801 -1.232 147 1HD1 LEU 19 2HD1 LEU 19 -5.060 -2.259 -3.422 148 2HD1 LEU 19 3HD1 LEU 19 -4.505 -3.465 -2.245 149 3HD1 LEU 19 1HD1 LEU 19 -5.428 -2.064 -1.701 150 1HD2 LEU 19 3HD2 LEU 19 -1.377 -1.716 -3.113 151 2HD2 LEU 19 1HD2 LEU 19 -2.203 -3.281 -3.044 152 3HD2 LEU 19 2HD2 LEU 19 -2.692 -2.071 -4.251 153 H GLN 20 H GLN 20 -4.261 -0.846 0.811 154 HA GLN 20 HA GLN 20 -7.027 -1.363 0.510 155 1HB GLN 20 1HB GLN 20 -5.520 -2.770 1.805 156 2HB GLN 20 2HB GLN 20 -5.316 -1.486 3.013 157 1HG GLN 20 1HG GLN 20 -7.783 -1.614 3.471 158 2HG GLN 20 2HG GLN 20 -7.920 -2.891 2.254 159 1HE2 GLN 20 1HE2 GLN 20 -7.822 -4.821 5.320 160 2HE2 GLN 20 2HE2 GLN 20 -8.915 -3.903 4.308 161 H THR 21 H THR 21 -5.292 1.229 2.302 162 HA THR 21 HA THR 21 -7.873 2.607 2.805 163 HB THR 21 HB THR 21 -6.382 2.777 4.607 164 HG1 THR 21 HG1 THR 21 -7.658 4.552 4.019 165 1HG2 THR 21 2HG2 THR 21 -4.162 2.516 3.543 166 2HG2 THR 21 3HG2 THR 21 -4.299 4.150 2.861 167 3HG2 THR 21 1HG2 THR 21 -4.264 3.916 4.610 168 H TYR 22 H TYR 22 -8.258 2.362 0.445 169 HA TYR 22 HA TYR 22 -6.933 3.671 -1.572 170 1HB TYR 22 1HB TYR 22 -9.926 3.359 -1.151 171 2HB TYR 22 2HB TYR 22 -9.192 3.822 -2.674 172 HD1 TYR 22 HD1 TYR 22 -7.806 2.215 -3.974 173 HD2 TYR 22 HD2 TYR 22 -9.875 1.030 -0.381 174 HE1 TYR 22 HE1 TYR 22 -7.409 -0.168 -4.526 175 HE2 TYR 22 HE2 TYR 22 -9.476 -1.346 -0.933 176 HH TYR 22 HH TYR 22 -8.510 -2.834 -2.397 177 HA PRO 23 HA PRO 23 -7.256 7.937 -0.532 178 1HB PRO 23 1HB PRO 23 -6.951 9.193 -2.944 179 2HB PRO 23 2HB PRO 23 -5.654 8.256 -2.150 180 1HG PRO 23 1HG PRO 23 -7.546 7.301 -4.312 181 2HG PRO 23 2HG PRO 23 -5.765 7.149 -4.268 182 1HD PRO 23 2HD PRO 23 -7.396 5.118 -3.486 183 2HD PRO 23 1HD PRO 23 -5.876 5.441 -2.603 184 H ARG 24 H ARG 24 -9.467 6.804 -3.109 185 HA ARG 24 HA ARG 24 -11.507 8.829 -2.278 186 1HB ARG 24 1HB ARG 24 -10.798 7.917 -5.098 187 2HB ARG 24 2HB ARG 24 -12.109 9.025 -4.656 188 1HG ARG 24 1HG ARG 24 -10.428 10.599 -3.689 189 2HG ARG 24 2HG ARG 24 -9.130 9.539 -4.277 190 1HD ARG 24 1HD ARG 24 -9.963 9.781 -6.590 191 2HD ARG 24 2HD ARG 24 -11.233 10.879 -6.034 192 HE ARG 24 HE ARG 24 -8.408 11.440 -6.449 193 1HH1 ARG 24 2HH2 ARG 24 -11.281 12.518 -4.634 194 2HH1 ARG 24 1HH2 ARG 24 -10.661 14.136 -4.412 195 1HH2 ARG 24 1HH1 ARG 24 -7.639 13.555 -6.133 196 2HH2 ARG 24 2HH1 ARG 24 -8.601 14.724 -5.257 197 H THR 25 H THR 25 -13.642 8.242 -3.274 198 HA THR 25 HA THR 25 -15.487 7.005 -3.138 199 HB THR 25 HB THR 25 -15.561 5.064 -4.650 200 HG1 THR 25 HG1 THR 25 -13.659 4.516 -5.763 201 1HG2 THR 25 1HG2 THR 25 -15.727 7.378 -5.527 202 2HG2 THR 25 2HG2 THR 25 -13.965 7.408 -5.770 203 3HG2 THR 25 3HG2 THR 25 -14.969 6.269 -6.685 204 H ASP 26 H ASP 26 -14.007 3.872 -3.223 205 HA ASP 26 HA ASP 26 -15.204 3.204 -0.626 206 1HB ASP 26 1HB ASP 26 -13.752 1.525 -2.711 207 2HB ASP 26 2HB ASP 26 -14.582 0.907 -1.273 208 H VAL 27 H VAL 27 -13.711 4.732 0.477 209 HA VAL 27 HA VAL 27 -10.927 4.495 0.561 210 HB VAL 27 HB VAL 27 -12.904 5.470 2.651 211 1HG1 VAL 27 1HG1 VAL 27 -9.873 5.810 2.553 212 2HG1 VAL 27 2HG1 VAL 27 -10.969 6.709 3.618 213 3HG1 VAL 27 3HG1 VAL 27 -10.799 4.963 3.808 214 1HG2 VAL 27 3HG2 VAL 27 -11.171 6.937 0.605 215 2HG2 VAL 27 1HG2 VAL 27 -12.931 6.734 0.514 216 3HG2 VAL 27 2HG2 VAL 27 -12.224 7.701 1.812 217 H GLY 28 H GLY 28 -13.305 3.104 2.894 218 1HA GLY 28 2HA GLY 28 -13.256 1.142 4.071 219 2HA GLY 28 1HA GLY 28 -11.842 0.628 3.139 220 H ALA 29 H ALA 29 -10.397 0.010 4.700 221 HA ALA 29 HA ALA 29 -9.276 2.019 6.511 222 1HB ALA 29 1HB ALA 29 -10.600 -0.518 7.572 223 2HB ALA 29 2HB ALA 29 -9.580 0.590 8.515 224 3HB ALA 29 3HB ALA 29 -11.135 1.149 7.870 225 H GLY 30 H GLY 30 -7.136 1.764 6.381 226 1HA GLY 30 2HA GLY 30 -5.942 -0.444 4.971 227 2HA GLY 30 1HA GLY 30 -5.123 0.930 5.719 228 H THR 31 H THR 31 -5.670 -2.387 5.939 229 HA THR 31 HA THR 31 -5.159 -4.019 7.389 230 HB THR 31 HB THR 31 -3.166 -2.020 8.511 231 HG1 THR 31 HG1 THR 31 -1.853 -2.906 6.896 232 1HG2 THR 31 3HG2 THR 31 -3.166 -5.074 8.374 233 2HG2 THR 31 1HG2 THR 31 -1.827 -4.057 8.942 234 3HG2 THR 31 2HG2 THR 31 -3.338 -4.117 9.860 235 HA PRO 32 HA PRO 32 -7.829 -2.147 10.698 236 1HB PRO 32 1HB PRO 32 -10.045 -3.701 10.469 237 2HB PRO 32 2HB PRO 32 -9.677 -2.399 9.300 238 1HG PRO 32 1HG PRO 32 -9.053 -5.353 9.014 239 2HG PRO 32 2HG PRO 32 -9.898 -4.299 7.841 240 1HD PRO 32 1HD PRO 32 -7.232 -4.824 7.659 241 2HD PRO 32 2HD PRO 32 -7.884 -3.211 7.246 242 1HN NH2 33 1HN NH2 33 -7.886 -4.553 13.364 243 2HN NH2 33 2HN NH2 33 -8.590 -3.064 12.771 No H/Q in entry = 243 Start of MODEL 3 1 1H CYS 1 3H CYS 1 19.551 -2.068 0.744 2 2H CYS 1 1H CYS 1 18.484 -2.316 -0.488 3 3H CYS 1 2H CYS 1 18.008 -1.499 0.863 4 HA CYS 1 HA CYS 1 18.267 -3.420 2.214 5 1HB CYS 1 1HB CYS 1 16.499 -3.763 -0.221 6 2HB CYS 1 2HB CYS 1 16.481 -4.828 1.193 7 H SER 2 H SER 2 20.136 -4.563 2.384 8 HA SER 2 HA SER 2 21.238 -6.228 0.292 9 1HB SER 2 1HB SER 2 22.618 -5.324 2.112 10 2HB SER 2 2HB SER 2 21.668 -6.223 3.313 11 HG SER 2 HG SER 2 23.579 -7.315 2.692 12 H ASN 3 H ASN 3 19.407 -6.872 3.331 13 HA ASN 3 HA ASN 3 18.792 -9.624 2.587 14 1HB ASN 3 1HB ASN 3 19.153 -9.026 4.922 15 2HB ASN 3 2HB ASN 3 17.843 -7.840 4.861 16 1HD2 ASN 3 1HD2 ASN 3 16.950 -11.910 4.867 17 2HD2 ASN 3 2HD2 ASN 3 18.503 -11.349 4.286 18 H LEU 4 H LEU 4 17.660 -9.520 0.648 19 HA LEU 4 HA LEU 4 15.185 -7.944 0.417 20 1HB LEU 4 1HB LEU 4 16.554 -9.947 -1.416 21 2HB LEU 4 2HB LEU 4 15.097 -9.036 -1.838 22 HG LEU 4 HG LEU 4 17.774 -7.742 -1.150 23 1HD1 LEU 4 1HD1 LEU 4 17.934 -9.095 -3.201 24 2HD1 LEU 4 2HD1 LEU 4 16.495 -8.285 -3.859 25 3HD1 LEU 4 3HD1 LEU 4 17.987 -7.363 -3.572 26 1HD2 LEU 4 2HD2 LEU 4 15.200 -6.628 -2.366 27 2HD2 LEU 4 3HD2 LEU 4 15.873 -6.213 -0.776 28 3HD2 LEU 4 1HD2 LEU 4 16.735 -5.747 -2.244 29 H SER 5 H SER 5 14.581 -9.135 2.514 30 HA SER 5 HA SER 5 12.666 -11.258 1.800 31 1HB SER 5 1HB SER 5 14.750 -11.617 4.006 32 2HB SER 5 2HB SER 5 13.360 -12.673 3.698 33 HG SER 5 HG SER 5 14.251 -13.018 1.593 34 H THR 6 H THR 6 14.103 -9.596 4.666 35 HA THR 6 HA THR 6 11.564 -9.140 5.948 36 HB THR 6 HB THR 6 14.282 -7.827 6.378 37 HG1 THR 6 HG1 THR 6 14.432 -9.406 8.006 38 1HG2 THR 6 3HG2 THR 6 11.820 -8.014 8.175 39 2HG2 THR 6 1HG2 THR 6 13.411 -7.398 8.667 40 3HG2 THR 6 2HG2 THR 6 12.471 -6.529 7.444 41 H CYS 7 H CYS 7 13.799 -7.178 3.942 42 HA CYS 7 HA CYS 7 12.307 -4.754 3.963 43 1HB CYS 7 1HB CYS 7 14.641 -4.855 3.367 44 2HB CYS 7 2HB CYS 7 14.306 -5.916 1.996 45 H VAL 8 H VAL 8 12.300 -7.578 1.733 46 HA VAL 8 HA VAL 8 10.440 -6.531 -0.149 47 HB VAL 8 HB VAL 8 11.262 -9.359 0.607 48 1HG1 VAL 8 3HG1 VAL 8 9.478 -8.435 -1.686 49 2HG1 VAL 8 1HG1 VAL 8 10.249 -10.032 -1.585 50 3HG1 VAL 8 2HG1 VAL 8 9.045 -9.566 -0.381 51 1HG2 VAL 8 3HG2 VAL 8 12.994 -7.881 -0.437 52 2HG2 VAL 8 1HG2 VAL 8 12.533 -9.226 -1.495 53 3HG2 VAL 8 2HG2 VAL 8 11.903 -7.595 -1.804 54 H LEU 9 H LEU 9 9.969 -8.633 2.742 55 HA LEU 9 HA LEU 9 7.185 -8.934 2.544 56 1HB LEU 9 1HB LEU 9 8.578 -10.317 3.967 57 2HB LEU 9 2HB LEU 9 9.069 -8.915 4.927 58 HG LEU 9 HG LEU 9 6.763 -8.641 5.754 59 1HD1 LEU 9 2HD1 LEU 9 6.185 -11.170 4.140 60 2HD1 LEU 9 3HD1 LEU 9 5.106 -10.477 5.368 61 3HD1 LEU 9 1HD1 LEU 9 5.448 -9.571 3.892 62 1HD2 LEU 9 2HD2 LEU 9 8.387 -10.021 6.992 63 2HD2 LEU 9 3HD2 LEU 9 6.736 -10.637 7.189 64 3HD2 LEU 9 1HD2 LEU 9 7.864 -11.460 6.089 65 H GLY 10 H GLY 10 9.161 -6.455 4.244 66 1HA GLY 10 1HA GLY 10 7.050 -4.993 5.424 67 2HA GLY 10 2HA GLY 10 8.670 -4.382 5.038 68 H LYS 11 H LYS 11 8.650 -4.678 2.223 69 HA LYS 11 HA LYS 11 7.392 -2.269 1.456 70 1HB LYS 11 1HB LYS 11 9.442 -3.082 0.425 71 2HB LYS 11 2HB LYS 11 8.623 -4.517 -0.182 72 1HG LYS 11 1HG LYS 11 8.970 -2.861 -1.949 73 2HG LYS 11 2HG LYS 11 7.269 -3.220 -1.701 74 1HD LYS 11 1HD LYS 11 7.643 -0.828 -2.095 75 2HD LYS 11 2HD LYS 11 6.928 -1.105 -0.510 76 1HE LYS 11 1HE LYS 11 8.677 0.615 -0.423 77 2HE LYS 11 2HE LYS 11 9.135 -0.773 0.569 78 1HZ LYS 11 3HZ LYS 11 10.080 -0.226 -2.156 79 2HZ LYS 11 1HZ LYS 11 10.935 0.022 -0.768 80 3HZ LYS 11 2HZ LYS 11 10.529 -1.509 -1.223 81 H LEU 12 H LEU 12 6.609 -5.680 0.452 82 HA LEU 12 HA LEU 12 4.290 -4.903 -0.977 83 1HB LEU 12 1HB LEU 12 3.763 -7.212 -1.196 84 2HB LEU 12 2HB LEU 12 5.485 -6.927 -1.412 85 HG LEU 12 HG LEU 12 5.600 -7.627 1.163 86 1HD1 LEU 12 3HD1 LEU 12 3.136 -9.133 0.159 87 2HD1 LEU 12 1HD1 LEU 12 4.010 -9.453 1.668 88 3HD1 LEU 12 2HD1 LEU 12 3.122 -7.942 1.467 89 1HD2 LEU 12 3HD2 LEU 12 6.743 -8.754 -0.709 90 2HD2 LEU 12 1HD2 LEU 12 6.060 -9.932 0.423 91 3HD2 LEU 12 2HD2 LEU 12 5.242 -9.607 -1.120 92 H SER 13 H SER 13 4.712 -5.764 2.462 93 HA SER 13 HA SER 13 1.957 -5.919 3.144 94 1HB SER 13 1HB SER 13 3.729 -6.716 4.622 95 2HB SER 13 2HB SER 13 4.343 -5.060 4.831 96 HG SER 13 HG SER 13 2.949 -5.698 6.516 97 H GLN 14 H GLN 14 4.282 -3.160 3.329 98 HA GLN 14 HA GLN 14 2.527 -1.182 4.207 99 1HB GLN 14 1HB GLN 14 5.008 -1.025 4.021 100 2HB GLN 14 2HB GLN 14 4.846 -0.860 2.262 101 1HG GLN 14 1HG GLN 14 3.390 1.191 2.704 102 2HG GLN 14 2HG GLN 14 3.820 1.040 4.412 103 1HE2 GLN 14 1HE2 GLN 14 7.389 1.769 3.696 104 2HE2 GLN 14 2HE2 GLN 14 6.452 0.561 4.547 105 H GLU 15 H GLU 15 3.253 -2.173 0.828 106 HA GLU 15 HA GLU 15 1.625 -0.244 -0.450 107 1HB GLU 15 1HB GLU 15 2.654 -2.960 -1.315 108 2HB GLU 15 2HB GLU 15 1.755 -1.873 -2.389 109 1HG GLU 15 1HG GLU 15 3.400 -0.105 -2.116 110 2HG GLU 15 2HG GLU 15 4.317 -1.058 -0.949 111 H LEU 16 H LEU 16 0.855 -3.738 0.237 112 HA LEU 16 HA LEU 16 -1.716 -3.518 -0.904 113 1HB LEU 16 1HB LEU 16 -2.139 -5.712 -0.247 114 2HB LEU 16 2HB LEU 16 -0.450 -5.572 -0.707 115 HG LEU 16 HG LEU 16 -0.062 -5.326 1.913 116 1HD1 LEU 16 3HD1 LEU 16 -2.683 -6.900 1.767 117 2HD1 LEU 16 1HD1 LEU 16 -1.634 -6.783 3.188 118 3HD1 LEU 16 2HD1 LEU 16 -2.477 -5.350 2.596 119 1HD2 LEU 16 3HD2 LEU 16 0.803 -7.153 0.463 120 2HD2 LEU 16 1HD2 LEU 16 0.253 -7.765 2.030 121 3HD2 LEU 16 2HD2 LEU 16 -0.761 -7.979 0.587 122 H HIS 17 H HIS 17 -0.634 -2.947 2.436 123 HA HIS 17 HA HIS 17 -3.299 -2.668 3.539 124 1HB HIS 17 1HB HIS 17 -0.531 -1.836 4.447 125 2HB HIS 17 2HB HIS 17 -1.999 -1.401 5.332 126 HD1 HIS 17 HD1 HIS 17 -0.267 -4.603 4.113 127 HD2 HIS 17 HD2 HIS 17 -2.790 -3.234 7.162 128 HE1 HIS 17 HE1 HIS 17 -0.576 -6.518 5.755 129 H LYS 18 H LYS 18 -0.885 -0.398 2.116 130 HA LYS 18 HA LYS 18 -2.252 1.977 2.821 131 1HB LYS 18 1HB LYS 18 0.081 1.975 2.265 132 2HB LYS 18 2HB LYS 18 -0.257 1.388 0.617 133 1HG LYS 18 1HG LYS 18 -1.317 3.473 0.017 134 2HG LYS 18 2HG LYS 18 -1.324 4.019 1.702 135 1HD LYS 18 1HD LYS 18 0.378 5.146 0.366 136 2HD LYS 18 2HD LYS 18 1.101 4.257 1.706 137 1HE LYS 18 1HE LYS 18 0.925 3.018 -1.068 138 2HE LYS 18 2HE LYS 18 2.201 4.177 -0.664 139 1HZ LYS 18 2HZ LYS 18 2.895 2.795 1.109 140 2HZ LYS 18 3HZ LYS 18 1.730 1.678 0.783 141 3HZ LYS 18 1HZ LYS 18 2.924 1.964 -0.313 142 H LEU 19 H LEU 19 -2.343 0.059 -0.242 143 HA LEU 19 HA LEU 19 -4.146 1.888 -1.508 144 1HB LEU 19 1HB LEU 19 -4.238 0.310 -3.322 145 2HB LEU 19 2HB LEU 19 -2.595 0.535 -2.735 146 HG LEU 19 HG LEU 19 -3.039 -1.654 -1.342 147 1HD1 LEU 19 3HD1 LEU 19 -5.122 -1.933 -3.552 148 2HD1 LEU 19 1HD1 LEU 19 -4.488 -3.271 -2.576 149 3HD1 LEU 19 2HD1 LEU 19 -5.427 -2.001 -1.803 150 1HD2 LEU 19 2HD2 LEU 19 -2.671 -1.665 -4.366 151 2HD2 LEU 19 3HD2 LEU 19 -1.390 -1.429 -3.157 152 3HD2 LEU 19 1HD2 LEU 19 -2.221 -2.988 -3.269 153 H GLN 20 H GLN 20 -4.778 -0.319 0.986 154 HA GLN 20 HA GLN 20 -7.634 -0.654 0.240 155 1HB GLN 20 1HB GLN 20 -6.380 -2.600 1.016 156 2HB GLN 20 2HB GLN 20 -5.980 -1.800 2.534 157 1HG GLN 20 1HG GLN 20 -8.828 -2.350 1.571 158 2HG GLN 20 2HG GLN 20 -7.899 -3.453 2.590 159 1HE2 GLN 20 1HE2 GLN 20 -9.964 -0.516 4.379 160 2HE2 GLN 20 2HE2 GLN 20 -10.187 -1.003 2.713 161 H THR 21 H THR 21 -5.633 0.365 3.035 162 HA THR 21 HA THR 21 -7.788 1.565 4.431 163 HB THR 21 HB THR 21 -4.778 1.825 4.854 164 HG1 THR 21 HG1 THR 21 -6.677 -0.081 5.731 165 1HG2 THR 21 3HG2 THR 21 -7.123 2.172 6.775 166 2HG2 THR 21 1HG2 THR 21 -5.406 2.157 7.229 167 3HG2 THR 21 2HG2 THR 21 -6.035 3.461 6.210 168 H TYR 22 H TYR 22 -4.991 2.971 2.671 169 HA TYR 22 HA TYR 22 -4.333 5.066 2.205 170 1HB TYR 22 1HB TYR 22 -7.290 5.745 2.069 171 2HB TYR 22 2HB TYR 22 -5.954 6.712 1.464 172 HD1 TYR 22 HD1 TYR 22 -4.463 5.777 -0.380 173 HD2 TYR 22 HD2 TYR 22 -8.201 3.949 0.751 174 HE1 TYR 22 HE1 TYR 22 -4.557 4.614 -2.566 175 HE2 TYR 22 HE2 TYR 22 -8.301 2.800 -1.439 176 HH TYR 22 HH TYR 22 -7.255 2.430 -3.456 177 HA PRO 23 HA PRO 23 -4.788 5.941 6.730 178 1HB PRO 23 1HB PRO 23 -1.843 6.491 6.333 179 2HB PRO 23 2HB PRO 23 -2.666 5.674 7.692 180 1HG PRO 23 1HG PRO 23 -1.384 4.216 5.797 181 2HG PRO 23 2HG PRO 23 -3.005 3.703 6.369 182 1HD PRO 23 2HD PRO 23 -2.331 5.267 3.866 183 2HD PRO 23 1HD PRO 23 -3.360 3.821 4.058 184 H ARG 24 H ARG 24 -2.613 7.796 4.550 185 HA ARG 24 HA ARG 24 -2.245 9.978 4.187 186 1HB ARG 24 1HB ARG 24 -5.202 10.277 4.864 187 2HB ARG 24 2HB ARG 24 -4.187 11.469 4.037 188 1HG ARG 24 1HG ARG 24 -3.777 9.883 2.191 189 2HG ARG 24 2HG ARG 24 -4.745 8.648 3.008 190 1HD ARG 24 1HD ARG 24 -6.107 9.703 1.300 191 2HD ARG 24 2HD ARG 24 -6.739 10.083 2.903 192 HE ARG 24 HE ARG 24 -6.306 12.305 2.582 193 1HH1 ARG 24 2HH2 ARG 24 -4.506 10.495 0.093 194 2HH1 ARG 24 1HH2 ARG 24 -4.038 11.942 -0.767 195 1HH2 ARG 24 1HH1 ARG 24 -5.672 14.160 1.434 196 2HH2 ARG 24 2HH1 ARG 24 -4.695 14.016 -0.009 197 H THR 25 H THR 25 -1.223 9.214 6.494 198 HA THR 25 HA THR 25 -1.421 11.608 8.232 199 HB THR 25 HB THR 25 -1.186 10.031 10.216 200 HG1 THR 25 HG1 THR 25 -2.035 7.939 9.884 201 1HG2 THR 25 2HG2 THR 25 -3.293 11.246 9.732 202 2HG2 THR 25 3HG2 THR 25 -3.842 9.883 8.732 203 3HG2 THR 25 1HG2 THR 25 -3.576 9.658 10.469 204 H ASP 26 H ASP 26 0.283 8.480 8.443 205 HA ASP 26 HA ASP 26 2.740 9.555 7.323 206 1HB ASP 26 1HB ASP 26 2.799 10.344 9.717 207 2HB ASP 26 2HB ASP 26 2.695 8.662 10.244 208 H VAL 27 H VAL 27 1.065 7.713 6.325 209 HA VAL 27 HA VAL 27 0.752 5.630 5.605 210 HB VAL 27 HB VAL 27 3.745 5.250 6.024 211 1HG1 VAL 27 3HG1 VAL 27 1.766 4.097 3.999 212 2HG1 VAL 27 1HG1 VAL 27 3.516 3.808 4.017 213 3HG1 VAL 27 2HG1 VAL 27 2.506 3.191 5.326 214 1HG2 VAL 27 2HG2 VAL 27 2.240 6.599 3.739 215 2HG2 VAL 27 3HG2 VAL 27 3.406 7.373 4.836 216 3HG2 VAL 27 1HG2 VAL 27 3.954 6.136 3.703 217 H GLY 28 H GLY 28 -0.450 5.474 7.726 218 1HA GLY 28 2HA GLY 28 0.568 3.550 9.703 219 2HA GLY 28 1HA GLY 28 -1.043 4.276 9.609 220 H ALA 29 H ALA 29 1.091 2.115 7.699 221 HA ALA 29 HA ALA 29 -1.111 0.226 7.121 222 1HB ALA 29 3HB ALA 29 0.343 1.944 5.063 223 2HB ALA 29 1HB ALA 29 -0.555 0.477 4.656 224 3HB ALA 29 2HB ALA 29 -1.407 1.855 5.367 225 H GLY 30 H GLY 30 -0.312 -1.774 7.246 226 1HA GLY 30 2HA GLY 30 1.070 -3.565 7.159 227 2HA GLY 30 1HA GLY 30 2.078 -2.672 6.012 228 H THR 31 H THR 31 4.149 -2.433 6.714 229 HA THR 31 HA THR 31 4.930 -2.990 9.390 230 HB THR 31 HB THR 31 7.174 -1.888 8.385 231 HG1 THR 31 HG1 THR 31 7.196 -2.417 6.153 232 1HG2 THR 31 1HG2 THR 31 6.030 -4.616 7.664 233 2HG2 THR 31 2HG2 THR 31 7.748 -4.152 7.611 234 3HG2 THR 31 3HG2 THR 31 6.896 -4.204 9.162 235 HA PRO 32 HA PRO 32 5.564 1.620 10.252 236 1HB PRO 32 1HB PRO 32 4.953 3.590 8.472 237 2HB PRO 32 2HB PRO 32 6.505 2.705 8.421 238 1HG PRO 32 1HG PRO 32 4.003 2.092 6.817 239 2HG PRO 32 2HG PRO 32 5.657 2.364 6.195 240 1HD PRO 32 1HD PRO 32 4.728 -0.135 6.639 241 2HD PRO 32 2HD PRO 32 6.406 0.293 7.093 242 1HN NH2 33 1HN NH2 33 4.036 3.340 11.006 243 2HN NH2 33 2HN NH2 33 2.317 3.015 10.944 No H/Q in entry = 243 Start of MODEL 4 1 1H CYS 1 3H CYS 1 17.858 -1.887 3.678 2 2H CYS 1 1H CYS 1 17.977 -1.560 2.066 3 3H CYS 1 2H CYS 1 16.515 -1.455 2.824 4 HA CYS 1 HA CYS 1 16.495 -3.773 3.272 5 1HB CYS 1 1HB CYS 1 16.819 -2.894 0.391 6 2HB CYS 1 2HB CYS 1 16.460 -4.562 0.832 7 H SER 2 H SER 2 18.973 -3.321 0.738 8 HA SER 2 HA SER 2 20.899 -4.319 0.251 9 1HB SER 2 1HB SER 2 21.083 -5.355 3.115 10 2HB SER 2 2HB SER 2 22.359 -5.306 1.896 11 HG SER 2 HG SER 2 22.112 -3.031 1.853 12 H ASN 3 H ASN 3 19.445 -6.694 2.527 13 HA ASN 3 HA ASN 3 19.580 -8.838 0.507 14 1HB ASN 3 1HB ASN 3 18.538 -8.836 3.367 15 2HB ASN 3 2HB ASN 3 18.850 -10.260 2.368 16 1HD2 ASN 3 1HD2 ASN 3 22.461 -10.023 2.608 17 2HD2 ASN 3 2HD2 ASN 3 21.178 -10.448 1.495 18 H LEU 4 H LEU 4 17.542 -10.300 0.563 19 HA LEU 4 HA LEU 4 15.125 -8.727 -0.098 20 1HB LEU 4 1HB LEU 4 15.707 -11.701 -0.308 21 2HB LEU 4 2HB LEU 4 14.308 -10.847 -0.984 22 HG LEU 4 HG LEU 4 17.210 -10.481 -1.842 23 1HD1 LEU 4 1HD1 LEU 4 16.197 -12.624 -2.526 24 2HD1 LEU 4 2HD1 LEU 4 14.824 -11.752 -3.243 25 3HD1 LEU 4 3HD1 LEU 4 16.457 -11.554 -3.915 26 1HD2 LEU 4 2HD2 LEU 4 14.642 -9.187 -2.870 27 2HD2 LEU 4 3HD2 LEU 4 16.030 -8.352 -2.134 28 3HD2 LEU 4 1HD2 LEU 4 16.208 -9.137 -3.705 29 H SER 5 H SER 5 13.838 -11.468 0.856 30 HA SER 5 HA SER 5 12.559 -12.166 2.528 31 1HB SER 5 1HB SER 5 14.725 -13.016 3.202 32 2HB SER 5 2HB SER 5 15.075 -11.556 4.136 33 HG SER 5 HG SER 5 13.245 -12.064 5.424 34 H THR 6 H THR 6 14.090 -9.933 4.802 35 HA THR 6 HA THR 6 11.673 -8.975 5.892 36 HB THR 6 HB THR 6 14.458 -7.732 5.915 37 HG1 THR 6 HG1 THR 6 14.632 -8.933 7.841 38 1HG2 THR 6 3HG2 THR 6 12.089 -7.412 7.817 39 2HG2 THR 6 1HG2 THR 6 13.728 -6.792 8.103 40 3HG2 THR 6 2HG2 THR 6 12.766 -6.147 6.765 41 H CYS 7 H CYS 7 13.787 -7.702 3.309 42 HA CYS 7 HA CYS 7 12.560 -5.180 2.924 43 1HB CYS 7 1HB CYS 7 14.761 -5.949 2.030 44 2HB CYS 7 2HB CYS 7 13.906 -7.000 0.901 45 H VAL 8 H VAL 8 11.936 -8.394 1.440 46 HA VAL 8 HA VAL 8 9.968 -7.502 -0.422 47 HB VAL 8 HB VAL 8 10.588 -10.263 0.711 48 1HG1 VAL 8 3HG2 VAL 8 8.892 -9.444 -1.687 49 2HG1 VAL 8 1HG2 VAL 8 9.450 -11.097 -1.353 50 3HG1 VAL 8 2HG2 VAL 8 8.339 -10.306 -0.232 51 1HG2 VAL 8 2HG1 VAL 8 11.426 -8.889 -1.882 52 2HG2 VAL 8 3HG1 VAL 8 12.488 -9.226 -0.500 53 3HG2 VAL 8 1HG1 VAL 8 11.795 -10.564 -1.426 54 H LEU 9 H LEU 9 9.695 -9.188 2.739 55 HA LEU 9 HA LEU 9 6.883 -9.252 2.942 56 1HB LEU 9 1HB LEU 9 9.072 -9.087 5.043 57 2HB LEU 9 2HB LEU 9 7.379 -9.409 5.430 58 HG LEU 9 HG LEU 9 8.982 -11.176 3.526 59 1HD1 LEU 9 1HD1 LEU 9 10.079 -11.147 5.734 60 2HD1 LEU 9 2HD1 LEU 9 8.526 -11.510 6.519 61 3HD1 LEU 9 3HD1 LEU 9 9.282 -12.701 5.437 62 1HD2 LEU 9 3HD2 LEU 9 6.393 -11.623 5.079 63 2HD2 LEU 9 1HD2 LEU 9 6.535 -11.424 3.319 64 3HD2 LEU 9 2HD2 LEU 9 7.237 -12.842 4.104 65 H GLY 10 H GLY 10 9.229 -6.748 3.986 66 1HA GLY 10 2HA GLY 10 7.418 -4.962 5.226 67 2HA GLY 10 1HA GLY 10 8.980 -4.550 4.497 68 H LYS 11 H LYS 11 8.690 -5.060 1.853 69 HA LYS 11 HA LYS 11 7.418 -2.775 0.903 70 1HB LYS 11 1HB LYS 11 9.246 -3.815 -0.281 71 2HB LYS 11 2HB LYS 11 8.321 -5.300 -0.529 72 1HG LYS 11 1HG LYS 11 8.439 -4.019 -2.570 73 2HG LYS 11 2HG LYS 11 6.763 -4.130 -2.033 74 1HD LYS 11 1HD LYS 11 6.922 -1.819 -1.089 75 2HD LYS 11 2HD LYS 11 8.602 -1.717 -1.647 76 1HE LYS 11 1HE LYS 11 6.148 -2.133 -3.421 77 2HE LYS 11 2HE LYS 11 6.970 -0.586 -3.154 78 1HZ LYS 11 2HZ LYS 11 8.942 -1.533 -4.101 79 2HZ LYS 11 3HZ LYS 11 8.166 -2.960 -4.386 80 3HZ LYS 11 1HZ LYS 11 7.683 -1.591 -5.164 81 H LEU 12 H LEU 12 6.288 -6.214 0.544 82 HA LEU 12 HA LEU 12 3.901 -5.441 -0.784 83 1HB LEU 12 1HB LEU 12 3.201 -7.710 -0.645 84 2HB LEU 12 2HB LEU 12 4.907 -7.589 -1.056 85 HG LEU 12 HG LEU 12 5.234 -7.969 1.572 86 1HD1 LEU 12 2HD1 LEU 12 2.767 -8.061 2.114 87 2HD1 LEU 12 3HD1 LEU 12 2.605 -9.420 0.994 88 3HD1 LEU 12 1HD1 LEU 12 3.592 -9.583 2.458 89 1HD2 LEU 12 3HD2 LEU 12 6.113 -9.398 -0.237 90 2HD2 LEU 12 1HD2 LEU 12 5.473 -10.377 1.094 91 3HD2 LEU 12 2HD2 LEU 12 4.528 -10.181 -0.398 92 H SER 13 H SER 13 4.598 -5.925 2.692 93 HA SER 13 HA SER 13 1.911 -5.853 3.610 94 1HB SER 13 1HB SER 13 3.765 -6.627 4.994 95 2HB SER 13 2HB SER 13 4.485 -5.002 4.997 96 HG SER 13 HG SER 13 3.220 -5.421 6.853 97 H GLN 14 H GLN 14 4.348 -3.239 3.189 98 HA GLN 14 HA GLN 14 2.703 -1.062 4.006 99 1HB GLN 14 1HB GLN 14 5.113 -1.277 2.165 100 2HB GLN 14 2HB GLN 14 4.358 0.266 2.598 101 1HG GLN 14 1HG GLN 14 4.838 -0.032 4.936 102 2HG GLN 14 2HG GLN 14 5.358 -1.701 4.697 103 1HE2 GLN 14 1HE2 GLN 14 7.861 1.408 3.531 104 2HE2 GLN 14 2HE2 GLN 14 6.133 1.663 3.645 105 H GLU 15 H GLU 15 3.314 -2.537 0.783 106 HA GLU 15 HA GLU 15 1.912 -0.670 -0.761 107 1HB GLU 15 1HB GLU 15 3.501 -2.317 -1.631 108 2HB GLU 15 2HB GLU 15 2.375 -3.636 -1.269 109 1HG GLU 15 1HG GLU 15 0.746 -2.705 -2.872 110 2HG GLU 15 2HG GLU 15 1.815 -1.324 -3.176 111 H LEU 16 H LEU 16 0.722 -3.908 0.371 112 HA LEU 16 HA LEU 16 -1.889 -3.520 -0.617 113 1HB LEU 16 1HB LEU 16 -2.513 -5.515 0.471 114 2HB LEU 16 2HB LEU 16 -0.891 -5.674 -0.189 115 HG LEU 16 HG LEU 16 -0.151 -5.052 2.297 116 1HD1 LEU 16 2HD1 LEU 16 -2.483 -4.701 3.197 117 2HD1 LEU 16 3HD1 LEU 16 -2.882 -6.359 2.727 118 3HD1 LEU 16 1HD1 LEU 16 -1.661 -6.053 3.976 119 1HD2 LEU 16 3HD2 LEU 16 0.361 -7.167 1.097 120 2HD2 LEU 16 1HD2 LEU 16 -0.059 -7.465 2.791 121 3HD2 LEU 16 2HD2 LEU 16 -1.249 -7.784 1.512 122 H HIS 17 H HIS 17 -0.461 -2.641 2.532 123 HA HIS 17 HA HIS 17 -2.906 -2.004 3.855 124 1HB HIS 17 1HB HIS 17 -0.853 -2.313 5.087 125 2HB HIS 17 2HB HIS 17 -0.070 -0.979 4.229 126 HD1 HIS 17 HD1 HIS 17 -0.707 1.453 4.890 127 HD2 HIS 17 HD2 HIS 17 -2.699 -1.493 7.109 128 HE1 HIS 17 HE1 HIS 17 -1.831 2.613 6.853 129 H LYS 18 H LYS 18 -0.556 0.062 2.066 130 HA LYS 18 HA LYS 18 -1.858 2.509 2.452 131 1HB LYS 18 1HB LYS 18 0.043 1.502 0.316 132 2HB LYS 18 2HB LYS 18 -0.573 3.165 0.330 133 1HG LYS 18 1HG LYS 18 0.376 3.631 2.481 134 2HG LYS 18 2HG LYS 18 0.771 1.941 2.767 135 1HD LYS 18 1HD LYS 18 2.783 3.182 2.178 136 2HD LYS 18 2HD LYS 18 2.427 1.949 0.963 137 1HE LYS 18 1HE LYS 18 3.175 4.052 -0.066 138 2HE LYS 18 2HE LYS 18 1.525 3.662 -0.564 139 1HZ LYS 18 3HZ LYS 18 2.281 5.568 1.540 140 2HZ LYS 18 1HZ LYS 18 1.787 5.958 0.016 141 3HZ LYS 18 2HZ LYS 18 0.740 5.230 1.059 142 H LEU 19 H LEU 19 -2.185 0.243 -0.364 143 HA LEU 19 HA LEU 19 -4.104 1.948 -1.650 144 1HB LEU 19 1HB LEU 19 -4.365 0.225 -3.279 145 2HB LEU 19 2HB LEU 19 -2.672 0.488 -2.879 146 HG LEU 19 HG LEU 19 -3.071 -1.573 -1.226 147 1HD1 LEU 19 3HD1 LEU 19 -5.098 -2.096 -3.452 148 2HD1 LEU 19 1HD1 LEU 19 -4.554 -3.268 -2.237 149 3HD1 LEU 19 2HD1 LEU 19 -5.511 -1.870 -1.746 150 1HD2 LEU 19 2HD2 LEU 19 -1.437 -1.480 -3.075 151 2HD2 LEU 19 3HD2 LEU 19 -2.251 -3.053 -3.034 152 3HD2 LEU 19 1HD2 LEU 19 -2.725 -1.840 -4.242 153 H GLN 20 H GLN 20 -4.437 -0.661 0.749 154 HA GLN 20 HA GLN 20 -7.245 -1.081 0.365 155 1HB GLN 20 1HB GLN 20 -5.840 -2.696 1.483 156 2HB GLN 20 2HB GLN 20 -5.454 -1.548 2.781 157 1HG GLN 20 1HG GLN 20 -7.847 -1.516 3.448 158 2HG GLN 20 2HG GLN 20 -8.225 -2.648 2.138 159 1HE2 GLN 20 1HE2 GLN 20 -6.632 -5.477 3.760 160 2HE2 GLN 20 2HE2 GLN 20 -6.921 -4.768 2.185 161 H THR 21 H THR 21 -5.414 0.870 2.784 162 HA THR 21 HA THR 21 -7.752 2.034 3.964 163 HB THR 21 HB THR 21 -6.099 3.519 5.084 164 HG1 THR 21 HG1 THR 21 -3.891 3.080 4.667 165 1HG2 THR 21 2HG2 THR 21 -6.629 1.281 6.011 166 2HG2 THR 21 3HG2 THR 21 -5.288 0.575 5.084 167 3HG2 THR 21 1HG2 THR 21 -4.961 1.774 6.350 168 H TYR 22 H TYR 22 -5.490 3.100 1.424 169 HA TYR 22 HA TYR 22 -7.177 5.491 0.839 170 1HB TYR 22 1HB TYR 22 -5.343 6.067 2.362 171 2HB TYR 22 2HB TYR 22 -4.172 5.420 1.226 172 HD1 TYR 22 HD2 TYR 22 -6.961 7.936 1.499 173 HD2 TYR 22 HD1 TYR 22 -3.191 6.926 -0.337 174 HE1 TYR 22 HE2 TYR 22 -6.785 10.233 0.594 175 HE2 TYR 22 HE1 TYR 22 -3.017 9.225 -1.238 176 HH TYR 22 HH TYR 22 -5.522 11.716 -0.634 177 HA PRO 23 HA PRO 23 -6.072 2.944 -2.925 178 1HB PRO 23 1HB PRO 23 -8.531 3.013 -4.149 179 2HB PRO 23 2HB PRO 23 -8.090 1.828 -2.892 180 1HG PRO 23 1HG PRO 23 -9.610 4.417 -2.531 181 2HG PRO 23 2HG PRO 23 -10.030 2.798 -1.900 182 1HD PRO 23 1HD PRO 23 -8.777 4.639 -0.368 183 2HD PRO 23 2HD PRO 23 -8.329 2.914 -0.246 184 H ARG 24 H ARG 24 -4.988 4.066 -4.391 185 HA ARG 24 HA ARG 24 -4.268 5.604 -5.822 186 1HB ARG 24 1HB ARG 24 -6.306 5.054 -7.024 187 2HB ARG 24 2HB ARG 24 -7.216 6.300 -6.170 188 1HG ARG 24 1HG ARG 24 -5.729 8.045 -7.152 189 2HG ARG 24 2HG ARG 24 -4.830 6.779 -8.012 190 1HD ARG 24 1HD ARG 24 -6.851 6.159 -9.253 191 2HD ARG 24 2HD ARG 24 -7.821 7.294 -8.290 192 HE ARG 24 HE ARG 24 -5.683 8.713 -9.515 193 1HH1 ARG 24 2HH2 ARG 24 -8.735 7.103 -10.392 194 2HH1 ARG 24 1HH2 ARG 24 -9.046 8.186 -11.731 195 1HH2 ARG 24 1HH1 ARG 24 -6.128 10.105 -11.280 196 2HH2 ARG 24 2HH1 ARG 24 -7.578 9.874 -12.233 197 H THR 25 H THR 25 -6.894 7.770 -4.826 198 HA THR 25 HA THR 25 -5.140 9.368 -3.080 199 HB THR 25 HB THR 25 -5.795 11.435 -4.373 200 HG1 THR 25 HG1 THR 25 -6.586 11.146 -6.437 201 1HG2 THR 25 2HG2 THR 25 -3.544 10.429 -4.654 202 2HG2 THR 25 3HG2 THR 25 -4.152 9.492 -6.038 203 3HG2 THR 25 1HG2 THR 25 -4.139 11.260 -6.104 204 H ASP 26 H ASP 26 -6.615 11.385 -2.412 205 HA ASP 26 HA ASP 26 -8.908 10.494 -1.015 206 1HB ASP 26 1HB ASP 26 -7.618 12.490 -0.404 207 2HB ASP 26 2HB ASP 26 -8.071 13.284 -1.917 208 H VAL 27 H VAL 27 -8.579 12.322 -4.087 209 HA VAL 27 HA VAL 27 -11.097 11.130 -5.063 210 HB VAL 27 HB VAL 27 -11.754 13.312 -4.261 211 1HG1 VAL 27 1HG1 VAL 27 -9.564 14.508 -4.368 212 2HG1 VAL 27 2HG1 VAL 27 -9.711 14.575 -6.140 213 3HG1 VAL 27 3HG1 VAL 27 -10.892 15.403 -5.117 214 1HG2 VAL 27 1HG2 VAL 27 -12.766 12.415 -6.339 215 2HG2 VAL 27 2HG2 VAL 27 -12.740 14.188 -6.312 216 3HG2 VAL 27 3HG2 VAL 27 -11.568 13.303 -7.305 217 H GLY 28 H GLY 28 -10.764 10.199 -6.967 218 1HA GLY 28 2HA GLY 28 -8.110 10.251 -8.158 219 2HA GLY 28 1HA GLY 28 -9.491 9.236 -8.590 220 H ALA 29 H ALA 29 -8.600 12.700 -8.632 221 HA ALA 29 HA ALA 29 -8.769 14.359 -10.104 222 1HB ALA 29 2HB ALA 29 -7.259 13.020 -11.433 223 2HB ALA 29 3HB ALA 29 -8.599 12.143 -12.186 224 3HB ALA 29 1HB ALA 29 -8.393 13.880 -12.491 225 H GLY 30 H GLY 30 -10.650 12.168 -12.193 226 1HA GLY 30 2HA GLY 30 -13.237 13.014 -11.326 227 2HA GLY 30 1HA GLY 30 -12.753 13.904 -12.788 228 H THR 31 H THR 31 -12.778 12.831 -14.761 229 HA THR 31 HA THR 31 -13.888 10.156 -14.871 230 HB THR 31 HB THR 31 -13.848 10.408 -17.279 231 HG1 THR 31 HG1 THR 31 -12.051 11.695 -17.568 232 1HG2 THR 31 3HG2 THR 31 -15.753 11.275 -15.947 233 2HG2 THR 31 1HG2 THR 31 -14.965 12.868 -15.863 234 3HG2 THR 31 2HG2 THR 31 -15.482 12.213 -17.428 235 HA PRO 32 HA PRO 32 -9.617 8.844 -16.400 236 1HB PRO 32 1HB PRO 32 -7.352 10.246 -16.051 237 2HB PRO 32 2HB PRO 32 -8.522 10.700 -17.325 238 1HG PRO 32 1HG PRO 32 -8.261 11.890 -14.552 239 2HG PRO 32 2HG PRO 32 -8.321 12.763 -16.109 240 1HD PRO 32 1HD PRO 32 -10.500 12.363 -14.524 241 2HD PRO 32 2HD PRO 32 -10.620 12.440 -16.304 242 1HN NH2 33 1HN NH2 33 -7.802 7.702 -15.270 243 2HN NH2 33 2HN NH2 33 -7.823 7.614 -13.522 No H/Q in entry = 243 Start of MODEL 5 1 1H CYS 1 2H CYS 1 18.050 -1.911 2.959 2 2H CYS 1 3H CYS 1 18.031 -1.143 1.499 3 3H CYS 1 1H CYS 1 16.720 -1.052 2.496 4 HA CYS 1 HA CYS 1 16.317 -3.363 2.303 5 1HB CYS 1 1HB CYS 1 15.274 -1.704 0.761 6 2HB CYS 1 2HB CYS 1 16.566 -2.000 -0.397 7 H SER 2 H SER 2 18.764 -3.867 2.980 8 HA SER 2 HA SER 2 20.478 -4.818 0.830 9 1HB SER 2 1HB SER 2 20.627 -5.143 3.858 10 2HB SER 2 2HB SER 2 21.883 -5.628 2.700 11 HG SER 2 HG SER 2 20.857 -3.008 3.065 12 H ASN 3 H ASN 3 18.837 -6.449 3.594 13 HA ASN 3 HA ASN 3 19.023 -9.073 2.370 14 1HB ASN 3 1HB ASN 3 19.178 -8.840 4.774 15 2HB ASN 3 2HB ASN 3 17.622 -8.002 4.847 16 1HD2 ASN 3 1HD2 ASN 3 17.600 -12.082 3.987 17 2HD2 ASN 3 2HD2 ASN 3 18.910 -11.079 3.404 18 H LEU 4 H LEU 4 17.798 -9.460 0.605 19 HA LEU 4 HA LEU 4 15.166 -8.224 0.206 20 1HB LEU 4 1HB LEU 4 16.674 -10.236 -1.499 21 2HB LEU 4 2HB LEU 4 15.266 -9.271 -1.973 22 HG LEU 4 HG LEU 4 18.070 -8.242 -1.345 23 1HD1 LEU 4 1HD1 LEU 4 17.806 -9.364 -3.527 24 2HD1 LEU 4 2HD1 LEU 4 16.450 -8.284 -3.922 25 3HD1 LEU 4 3HD1 LEU 4 18.087 -7.624 -3.717 26 1HD2 LEU 4 1HD2 LEU 4 15.541 -6.695 -2.065 27 2HD2 LEU 4 2HD2 LEU 4 16.496 -6.545 -0.571 28 3HD2 LEU 4 3HD2 LEU 4 17.184 -6.024 -2.111 29 H SER 5 H SER 5 14.796 -9.445 2.415 30 HA SER 5 HA SER 5 12.876 -11.560 1.767 31 1HB SER 5 1HB SER 5 14.875 -12.870 2.331 32 2HB SER 5 2HB SER 5 15.058 -11.985 3.856 33 HG SER 5 HG SER 5 13.939 -13.957 4.111 34 H THR 6 H THR 6 14.494 -9.895 4.537 35 HA THR 6 HA THR 6 12.087 -9.286 5.961 36 HB THR 6 HB THR 6 14.831 -7.952 5.985 37 HG1 THR 6 HG1 THR 6 15.097 -9.303 7.795 38 1HG2 THR 6 3HG2 THR 6 12.528 -7.826 7.987 39 2HG2 THR 6 1HG2 THR 6 14.168 -7.203 8.266 40 3HG2 THR 6 2HG2 THR 6 13.149 -6.469 7.018 41 H CYS 7 H CYS 7 14.092 -7.458 3.571 42 HA CYS 7 HA CYS 7 12.577 -5.078 3.619 43 1HB CYS 7 1HB CYS 7 14.786 -5.176 2.608 44 2HB CYS 7 2HB CYS 7 14.200 -6.286 1.359 45 H VAL 8 H VAL 8 12.381 -7.813 1.238 46 HA VAL 8 HA VAL 8 10.343 -6.621 -0.247 47 HB VAL 8 HB VAL 8 11.890 -8.411 -0.992 48 1HG1 VAL 8 2HG2 VAL 8 11.568 -9.966 0.904 49 2HG1 VAL 8 3HG2 VAL 8 9.943 -10.362 0.303 50 3HG1 VAL 8 1HG2 VAL 8 11.373 -10.741 -0.675 51 1HG2 VAL 8 3HG1 VAL 8 9.932 -7.711 -2.337 52 2HG2 VAL 8 1HG1 VAL 8 10.307 -9.430 -2.556 53 3HG2 VAL 8 2HG1 VAL 8 8.938 -8.948 -1.536 54 H LEU 9 H LEU 9 10.049 -8.900 2.511 55 HA LEU 9 HA LEU 9 7.212 -9.197 2.434 56 1HB LEU 9 1HB LEU 9 9.233 -9.273 4.696 57 2HB LEU 9 2HB LEU 9 7.518 -9.613 4.940 58 HG LEU 9 HG LEU 9 9.240 -11.184 2.975 59 1HD1 LEU 9 3HD1 LEU 9 10.081 -11.429 5.313 60 2HD1 LEU 9 1HD1 LEU 9 8.447 -11.875 5.840 61 3HD1 LEU 9 2HD1 LEU 9 9.339 -12.922 4.715 62 1HD2 LEU 9 1HD2 LEU 9 6.496 -11.714 4.201 63 2HD2 LEU 9 2HD2 LEU 9 6.836 -11.368 2.492 64 3HD2 LEU 9 3HD2 LEU 9 7.418 -12.867 3.216 65 H GLY 10 H GLY 10 9.328 -6.723 3.936 66 1HA GLY 10 2HA GLY 10 7.350 -5.172 5.229 67 2HA GLY 10 1HA GLY 10 8.907 -4.596 4.612 68 H LYS 11 H LYS 11 8.744 -4.871 1.909 69 HA LYS 11 HA LYS 11 7.336 -2.573 1.129 70 1HB LYS 11 1HB LYS 11 8.450 -4.875 -0.518 71 2HB LYS 11 2HB LYS 11 7.872 -3.362 -1.216 72 1HG LYS 11 1HG LYS 11 10.123 -3.477 0.835 73 2HG LYS 11 2HG LYS 11 10.364 -3.580 -0.912 74 1HD LYS 11 1HD LYS 11 9.321 -1.350 -1.201 75 2HD LYS 11 2HD LYS 11 9.046 -1.247 0.547 76 1HE LYS 11 1HE LYS 11 11.021 0.024 -0.004 77 2HE LYS 11 2HE LYS 11 11.493 -1.393 0.949 78 1HZ LYS 11 3HZ LYS 11 11.679 -1.142 -1.972 79 2HZ LYS 11 1HZ LYS 11 12.935 -1.028 -0.909 80 3HZ LYS 11 2HZ LYS 11 12.140 -2.458 -1.091 81 H LEU 12 H LEU 12 6.493 -6.035 0.434 82 HA LEU 12 HA LEU 12 4.102 -5.296 -0.935 83 1HB LEU 12 1HB LEU 12 3.593 -7.605 -1.093 84 2HB LEU 12 2HB LEU 12 5.302 -7.319 -1.391 85 HG LEU 12 HG LEU 12 5.542 -7.976 1.183 86 1HD1 LEU 12 2HD1 LEU 12 3.074 -8.275 1.612 87 2HD1 LEU 12 3HD1 LEU 12 3.031 -9.502 0.337 88 3HD1 LEU 12 1HD1 LEU 12 3.976 -9.778 1.812 89 1HD2 LEU 12 2HD2 LEU 12 5.059 -9.981 -1.058 90 2HD2 LEU 12 3HD2 LEU 12 6.590 -9.152 -0.712 91 3HD2 LEU 12 1HD2 LEU 12 5.931 -10.311 0.452 92 H SER 13 H SER 13 4.745 -6.020 2.498 93 HA SER 13 HA SER 13 2.029 -6.254 3.332 94 1HB SER 13 1HB SER 13 3.884 -7.004 4.716 95 2HB SER 13 2HB SER 13 4.489 -5.339 4.871 96 HG SER 13 HG SER 13 3.196 -5.987 6.639 97 H GLN 14 H GLN 14 4.283 -3.456 3.179 98 HA GLN 14 HA GLN 14 2.489 -1.453 4.105 99 1HB GLN 14 1HB GLN 14 4.931 -1.387 2.297 100 2HB GLN 14 2HB GLN 14 4.065 0.073 2.802 101 1HG GLN 14 1HG GLN 14 4.536 -0.313 5.122 102 2HG GLN 14 2HG GLN 14 5.149 -1.938 4.815 103 1HE2 GLN 14 1HE2 GLN 14 7.501 1.355 3.856 104 2HE2 GLN 14 2HE2 GLN 14 5.760 1.513 3.959 105 H GLU 15 H GLU 15 3.150 -2.742 0.811 106 HA GLU 15 HA GLU 15 1.652 -0.881 -0.647 107 1HB GLU 15 1HB GLU 15 3.267 -2.490 -1.591 108 2HB GLU 15 2HB GLU 15 2.129 -3.815 -1.289 109 1HG GLU 15 1HG GLU 15 0.484 -2.763 -2.812 110 2HG GLU 15 2HG GLU 15 1.585 -1.398 -3.066 111 H LEU 16 H LEU 16 0.582 -4.049 0.742 112 HA LEU 16 HA LEU 16 -2.125 -3.675 -0.185 113 1HB LEU 16 1HB LEU 16 -2.658 -5.735 0.919 114 2HB LEU 16 2HB LEU 16 -1.211 -5.839 -0.074 115 HG LEU 16 HG LEU 16 0.168 -5.642 2.045 116 1HD1 LEU 16 3HD1 LEU 16 -2.533 -6.114 3.369 117 2HD1 LEU 16 1HD1 LEU 16 -0.964 -6.400 4.150 118 3HD1 LEU 16 2HD1 LEU 16 -1.405 -4.769 3.663 119 1HD2 LEU 16 3HD2 LEU 16 -0.196 -7.755 0.848 120 2HD2 LEU 16 1HD2 LEU 16 -0.133 -8.017 2.598 121 3HD2 LEU 16 2HD2 LEU 16 -1.700 -8.020 1.758 122 H HIS 17 H HIS 17 -0.713 -1.807 2.008 123 HA HIS 17 HA HIS 17 -3.291 -1.329 3.429 124 1HB HIS 17 1HB HIS 17 -0.461 -0.658 4.320 125 2HB HIS 17 2HB HIS 17 -1.948 -0.174 5.142 126 HD1 HIS 17 HD1 HIS 17 -3.542 -2.814 5.146 127 HD2 HIS 17 HD2 HIS 17 0.540 -2.540 6.069 128 HE1 HIS 17 HE1 HIS 17 -2.952 -4.824 6.580 129 H LYS 18 H LYS 18 -0.626 -0.077 1.469 130 HA LYS 18 HA LYS 18 -1.071 2.662 1.602 131 1HB LYS 18 1HB LYS 18 0.820 1.364 0.550 132 2HB LYS 18 2HB LYS 18 -0.178 1.107 -0.872 133 1HG LYS 18 1HG LYS 18 0.641 3.807 0.307 134 2HG LYS 18 2HG LYS 18 1.506 2.976 -0.978 135 1HD LYS 18 1HD LYS 18 -1.283 4.173 -1.145 136 2HD LYS 18 2HD LYS 18 0.187 4.749 -1.912 137 1HE LYS 18 1HE LYS 18 -1.278 2.164 -2.598 138 2HE LYS 18 2HE LYS 18 -1.187 3.641 -3.560 139 1HZ LYS 18 2HZ LYS 18 1.165 3.313 -3.747 140 2HZ LYS 18 3HZ LYS 18 1.079 1.920 -2.866 141 3HZ LYS 18 1HZ LYS 18 0.335 2.013 -4.334 142 H LEU 19 H LEU 19 -2.392 0.326 -0.805 143 HA LEU 19 HA LEU 19 -4.563 2.188 -1.561 144 1HB LEU 19 1HB LEU 19 -5.297 0.115 -2.932 145 2HB LEU 19 2HB LEU 19 -3.979 1.153 -3.416 146 HG LEU 19 HG LEU 19 -2.286 -0.420 -2.684 147 1HD1 LEU 19 1HD1 LEU 19 -3.508 -1.660 -0.894 148 2HD1 LEU 19 2HD1 LEU 19 -4.574 -2.367 -2.137 149 3HD1 LEU 19 3HD1 LEU 19 -2.846 -2.732 -2.140 150 1HD2 LEU 19 3HD2 LEU 19 -3.101 -0.428 -4.985 151 2HD2 LEU 19 1HD2 LEU 19 -2.671 -2.064 -4.464 152 3HD2 LEU 19 2HD2 LEU 19 -4.379 -1.584 -4.552 153 H GLN 20 H GLN 20 -5.690 -1.012 -1.257 154 HA GLN 20 HA GLN 20 -6.918 -2.152 0.179 155 1HB GLN 20 1HB GLN 20 -5.013 -1.685 1.696 156 2HB GLN 20 2HB GLN 20 -5.891 -0.320 2.391 157 1HG GLN 20 1HG GLN 20 -7.710 -1.840 3.106 158 2HG GLN 20 2HG GLN 20 -6.852 -3.208 2.374 159 1HE2 GLN 20 1HE2 GLN 20 -5.301 -1.444 5.819 160 2HE2 GLN 20 2HE2 GLN 20 -6.256 -0.494 4.702 161 H THR 21 H THR 21 -7.233 1.144 1.561 162 HA THR 21 HA THR 21 -10.139 0.954 1.690 163 HB THR 21 HB THR 21 -8.178 3.183 2.389 164 HG1 THR 21 HG1 THR 21 -8.587 2.417 4.487 165 1HG2 THR 21 3HG2 THR 21 -11.148 2.838 3.016 166 2HG2 THR 21 1HG2 THR 21 -10.080 4.053 3.752 167 3HG2 THR 21 2HG2 THR 21 -10.414 4.114 2.017 168 H TYR 22 H TYR 22 -7.817 3.261 0.183 169 HA TYR 22 HA TYR 22 -9.207 3.388 -2.321 170 1HB TYR 22 1HB TYR 22 -9.702 5.613 -0.319 171 2HB TYR 22 2HB TYR 22 -9.708 5.920 -2.048 172 HD1 TYR 22 HD2 TYR 22 -11.171 4.237 -3.513 173 HD2 TYR 22 HD1 TYR 22 -11.852 5.244 0.623 174 HE1 TYR 22 HE2 TYR 22 -13.498 3.395 -3.686 175 HE2 TYR 22 HE1 TYR 22 -14.159 4.371 0.455 176 HH TYR 22 HH TYR 22 -15.453 2.947 -2.570 177 HA PRO 23 HA PRO 23 -5.884 6.856 -2.155 178 1HB PRO 23 1HB PRO 23 -3.977 5.689 -0.116 179 2HB PRO 23 2HB PRO 23 -4.248 7.398 -0.561 180 1HG PRO 23 1HG PRO 23 -5.439 6.392 1.637 181 2HG PRO 23 2HG PRO 23 -6.414 7.370 0.497 182 1HD PRO 23 1HD PRO 23 -6.226 4.353 0.677 183 2HD PRO 23 2HD PRO 23 -7.681 5.392 0.611 184 H ARG 24 H ARG 24 -5.391 6.279 -4.197 185 HA ARG 24 HA ARG 24 -2.797 5.351 -4.844 186 1HB ARG 24 1HB ARG 24 -3.511 3.327 -6.213 187 2HB ARG 24 2HB ARG 24 -3.501 3.103 -4.486 188 1HG ARG 24 1HG ARG 24 -5.800 3.034 -4.285 189 2HG ARG 24 2HG ARG 24 -6.102 3.939 -5.783 190 1HD ARG 24 1HD ARG 24 -4.947 1.121 -5.701 191 2HD ARG 24 2HD ARG 24 -6.672 1.499 -5.847 192 HE ARG 24 HE ARG 24 -5.040 2.881 -7.808 193 1HH1 ARG 24 2HH2 ARG 24 -6.661 -0.220 -7.148 194 2HH1 ARG 24 1HH2 ARG 24 -6.892 -0.580 -8.842 195 1HH2 ARG 24 1HH1 ARG 24 -5.386 2.395 -9.998 196 2HH2 ARG 24 2HH1 ARG 24 -6.168 0.901 -10.461 197 H THR 25 H THR 25 -3.176 4.708 -7.536 198 HA THR 25 HA THR 25 -3.722 7.094 -8.874 199 HB THR 25 HB THR 25 -4.004 4.226 -9.881 200 HG1 THR 25 HG1 THR 25 -1.983 4.665 -8.955 201 1HG2 THR 25 1HG2 THR 25 -3.458 6.836 -11.370 202 2HG2 THR 25 2HG2 THR 25 -3.406 5.209 -12.080 203 3HG2 THR 25 3HG2 THR 25 -4.941 5.864 -11.490 204 H ASP 26 H ASP 26 -5.856 4.351 -8.109 205 HA ASP 26 HA ASP 26 -8.024 4.150 -7.795 206 1HB ASP 26 1HB ASP 26 -7.548 6.193 -6.409 207 2HB ASP 26 2HB ASP 26 -8.207 7.187 -7.710 208 H VAL 27 H VAL 27 -7.817 3.325 -10.059 209 HA VAL 27 HA VAL 27 -8.850 4.981 -12.218 210 HB VAL 27 HB VAL 27 -8.056 2.043 -12.104 211 1HG1 VAL 27 2HG1 VAL 27 -8.698 3.849 -14.483 212 2HG1 VAL 27 3HG1 VAL 27 -7.998 2.221 -14.587 213 3HG1 VAL 27 1HG1 VAL 27 -9.639 2.434 -13.968 214 1HG2 VAL 27 3HG2 VAL 27 -6.603 4.505 -13.167 215 2HG2 VAL 27 1HG2 VAL 27 -6.165 3.595 -11.708 216 3HG2 VAL 27 2HG2 VAL 27 -6.040 2.827 -13.294 217 H GLY 28 H GLY 28 -9.923 1.693 -11.192 218 1HA GLY 28 2HA GLY 28 -12.730 2.339 -11.862 219 2HA GLY 28 1HA GLY 28 -12.040 0.768 -11.429 220 H ALA 29 H ALA 29 -12.348 4.029 -9.978 221 HA ALA 29 HA ALA 29 -12.609 4.786 -7.892 222 1HB ALA 29 2HB ALA 29 -14.871 3.810 -8.152 223 2HB ALA 29 3HB ALA 29 -14.307 2.310 -7.385 224 3HB ALA 29 1HB ALA 29 -14.321 3.829 -6.469 225 H GLY 30 H GLY 30 -10.328 2.981 -8.538 226 1HA GLY 30 2HA GLY 30 -8.622 1.847 -7.594 227 2HA GLY 30 1HA GLY 30 -8.963 2.785 -6.127 228 H THR 31 H THR 31 -8.640 1.228 -4.607 229 HA THR 31 HA THR 31 -10.064 -1.330 -4.648 230 HB THR 31 HB THR 31 -9.108 -1.505 -2.331 231 HG1 THR 31 HG1 THR 31 -7.821 0.926 -3.029 232 1HG2 THR 31 1HG2 THR 31 -7.899 -2.384 -4.311 233 2HG2 THR 31 2HG2 THR 31 -7.062 -0.826 -4.486 234 3HG2 THR 31 3HG2 THR 31 -6.804 -1.823 -3.037 235 HA PRO 32 HA PRO 32 -13.680 0.472 -2.763 236 1HB PRO 32 1HB PRO 32 -14.868 -1.657 -1.549 237 2HB PRO 32 2HB PRO 32 -14.691 -1.548 -3.324 238 1HG PRO 32 1HG PRO 32 -12.869 -3.006 -1.385 239 2HG PRO 32 2HG PRO 32 -13.623 -3.655 -2.871 240 1HD PRO 32 1HD PRO 32 -11.078 -2.692 -2.867 241 2HD PRO 32 2HD PRO 32 -12.164 -2.401 -4.258 242 1HN NH2 33 1HN NH2 33 -14.421 1.353 -0.778 243 2HN NH2 33 2HN NH2 33 -13.536 1.171 0.721 No H/Q in entry = 243 Start of MODEL 6 1 1H CYS 1 3H CYS 1 17.901 -1.808 2.571 2 2H CYS 1 1H CYS 1 18.095 -1.367 0.994 3 3H CYS 1 2H CYS 1 16.638 -1.154 1.737 4 HA CYS 1 HA CYS 1 16.337 -3.472 1.990 5 1HB CYS 1 1HB CYS 1 15.511 -2.269 -0.022 6 2HB CYS 1 2HB CYS 1 16.988 -2.702 -0.874 7 H SER 2 H SER 2 18.187 -4.235 3.200 8 HA SER 2 HA SER 2 20.576 -5.142 1.745 9 1HB SER 2 1HB SER 2 20.778 -4.011 3.919 10 2HB SER 2 2HB SER 2 19.800 -5.280 4.686 11 HG SER 2 HG SER 2 22.048 -5.642 4.897 12 H ASN 3 H ASN 3 17.812 -6.506 3.561 13 HA ASN 3 HA ASN 3 18.747 -9.196 3.573 14 1HB ASN 3 1HB ASN 3 15.959 -8.044 3.987 15 2HB ASN 3 2HB ASN 3 16.452 -9.702 4.353 16 1HD2 ASN 3 1HD2 ASN 3 17.555 -6.614 6.863 17 2HD2 ASN 3 2HD2 ASN 3 16.907 -6.283 5.271 18 H LEU 4 H LEU 4 16.394 -7.471 1.496 19 HA LEU 4 HA LEU 4 15.125 -8.072 -0.260 20 1HB LEU 4 1HB LEU 4 17.441 -9.943 -0.918 21 2HB LEU 4 2HB LEU 4 16.015 -9.696 -1.923 22 HG LEU 4 HG LEU 4 16.521 -7.267 -2.084 23 1HD1 LEU 4 1HD1 LEU 4 19.135 -8.100 -0.745 24 2HD1 LEU 4 2HD1 LEU 4 18.922 -6.601 -1.671 25 3HD1 LEU 4 3HD1 LEU 4 17.997 -6.846 -0.193 26 1HD2 LEU 4 2HD2 LEU 4 17.097 -8.889 -3.851 27 2HD2 LEU 4 3HD2 LEU 4 18.307 -7.600 -3.752 28 3HD2 LEU 4 1HD2 LEU 4 18.661 -9.200 -3.066 29 H SER 5 H SER 5 14.460 -9.044 2.187 30 HA SER 5 HA SER 5 12.782 -11.343 1.591 31 1HB SER 5 1HB SER 5 15.057 -11.560 3.627 32 2HB SER 5 2HB SER 5 13.637 -12.623 3.599 33 HG SER 5 HG SER 5 15.445 -12.264 1.450 34 H THR 6 H THR 6 14.253 -9.712 4.452 35 HA THR 6 HA THR 6 11.771 -9.114 5.767 36 HB THR 6 HB THR 6 14.475 -7.723 5.990 37 HG1 THR 6 HG1 THR 6 14.819 -9.224 7.653 38 1HG2 THR 6 3HG2 THR 6 12.147 -7.968 7.947 39 2HG2 THR 6 1HG2 THR 6 13.724 -7.231 8.299 40 3HG2 THR 6 2HG2 THR 6 12.650 -6.485 7.104 41 H CYS 7 H CYS 7 13.956 -7.385 3.536 42 HA CYS 7 HA CYS 7 12.617 -4.927 3.234 43 1HB CYS 7 1HB CYS 7 14.825 -5.273 2.363 44 2HB CYS 7 2HB CYS 7 14.293 -6.643 1.387 45 H VAL 8 H VAL 8 12.266 -7.988 1.347 46 HA VAL 8 HA VAL 8 10.296 -7.063 -0.439 47 HB VAL 8 HB VAL 8 10.991 -9.856 0.543 48 1HG1 VAL 8 3HG2 VAL 8 9.177 -9.015 -1.756 49 2HG1 VAL 8 1HG2 VAL 8 9.844 -10.647 -1.538 50 3HG1 VAL 8 2HG2 VAL 8 8.728 -9.993 -0.338 51 1HG2 VAL 8 3HG1 VAL 8 12.776 -8.601 -0.693 52 2HG2 VAL 8 1HG1 VAL 8 12.186 -10.004 -1.595 53 3HG2 VAL 8 2HG1 VAL 8 11.650 -8.371 -2.042 54 H LEU 9 H LEU 9 9.891 -8.894 2.636 55 HA LEU 9 HA LEU 9 7.068 -8.969 2.674 56 1HB LEU 9 1HB LEU 9 9.153 -8.928 4.877 57 2HB LEU 9 2HB LEU 9 7.434 -9.166 5.202 58 HG LEU 9 HG LEU 9 8.971 -10.974 3.289 59 1HD1 LEU 9 2HD1 LEU 9 10.049 -11.055 5.512 60 2HD1 LEU 9 3HD1 LEU 9 8.471 -11.349 6.273 61 3HD1 LEU 9 1HD1 LEU 9 9.171 -12.556 5.171 62 1HD2 LEU 9 2HD2 LEU 9 6.356 -11.322 4.824 63 2HD2 LEU 9 3HD2 LEU 9 6.510 -11.083 3.071 64 3HD2 LEU 9 1HD2 LEU 9 7.137 -12.556 3.816 65 H GLY 10 H GLY 10 9.342 -6.473 3.884 66 1HA GLY 10 2HA GLY 10 7.483 -4.760 5.136 67 2HA GLY 10 1HA GLY 10 9.044 -4.294 4.441 68 H LYS 11 H LYS 11 8.737 -4.774 1.760 69 HA LYS 11 HA LYS 11 7.403 -2.455 0.855 70 1HB LYS 11 1HB LYS 11 8.530 -4.882 -0.574 71 2HB LYS 11 2HB LYS 11 7.807 -3.506 -1.427 72 1HG LYS 11 1HG LYS 11 9.430 -1.966 -0.547 73 2HG LYS 11 2HG LYS 11 10.060 -3.157 0.587 74 1HD LYS 11 1HD LYS 11 11.580 -2.902 -1.302 75 2HD LYS 11 2HD LYS 11 10.924 -4.543 -1.224 76 1HE LYS 11 1HE LYS 11 11.029 -3.712 -3.534 77 2HE LYS 11 2HE LYS 11 9.359 -4.038 -3.062 78 1HZ LYS 11 3HZ LYS 11 10.652 -1.400 -3.096 79 2HZ LYS 11 1HZ LYS 11 9.592 -1.971 -4.223 80 3HZ LYS 11 2HZ LYS 11 9.083 -1.695 -2.680 81 H LEU 12 H LEU 12 6.462 -5.938 0.406 82 HA LEU 12 HA LEU 12 4.050 -5.232 -0.940 83 1HB LEU 12 1HB LEU 12 3.474 -7.543 -0.908 84 2HB LEU 12 2HB LEU 12 5.169 -7.303 -1.314 85 HG LEU 12 HG LEU 12 5.523 -7.782 1.294 86 1HD1 LEU 12 2HD1 LEU 12 3.078 -8.046 1.839 87 2HD1 LEU 12 3HD1 LEU 12 2.982 -9.354 0.650 88 3HD1 LEU 12 1HD1 LEU 12 3.987 -9.536 2.101 89 1HD2 LEU 12 3HD2 LEU 12 6.485 -9.069 -0.580 90 2HD2 LEU 12 1HD2 LEU 12 5.910 -10.147 0.702 91 3HD2 LEU 12 2HD2 LEU 12 4.951 -9.939 -0.779 92 H SER 13 H SER 13 4.753 -5.801 2.522 93 HA SER 13 HA SER 13 2.041 -5.866 3.403 94 1HB SER 13 1HB SER 13 3.894 -6.608 4.810 95 2HB SER 13 2HB SER 13 4.566 -4.961 4.849 96 HG SER 13 HG SER 13 2.011 -5.758 5.795 97 H GLN 14 H GLN 14 4.406 -3.182 3.062 98 HA GLN 14 HA GLN 14 2.751 -1.073 3.948 99 1HB GLN 14 1HB GLN 14 5.185 -0.935 3.718 100 2HB GLN 14 2HB GLN 14 5.054 -1.077 1.956 101 1HG GLN 14 1HG GLN 14 3.811 1.068 1.869 102 2HG GLN 14 2HG GLN 14 3.853 1.166 3.638 103 1HE2 GLN 14 1HE2 GLN 14 7.343 1.786 1.446 104 2HE2 GLN 14 2HE2 GLN 14 6.069 0.772 0.804 105 H GLU 15 H GLU 15 3.253 -2.464 0.671 106 HA GLU 15 HA GLU 15 1.705 -0.591 -0.771 107 1HB GLU 15 1HB GLU 15 3.343 -2.128 -1.761 108 2HB GLU 15 2HB GLU 15 2.312 -3.515 -1.370 109 1HG GLU 15 1HG GLU 15 0.545 -2.638 -2.861 110 2HG GLU 15 2HG GLU 15 1.529 -1.203 -3.198 111 H LEU 16 H LEU 16 0.817 -3.846 0.502 112 HA LEU 16 HA LEU 16 -1.893 -3.824 -0.300 113 1HB LEU 16 1HB LEU 16 -0.431 -5.220 1.963 114 2HB LEU 16 2HB LEU 16 -2.124 -5.544 1.583 115 HG LEU 16 HG LEU 16 0.080 -5.863 -0.499 116 1HD1 LEU 16 1HD1 LEU 16 0.555 -7.332 1.441 117 2HD1 LEU 16 2HD1 LEU 16 -1.100 -7.971 1.360 118 3HD1 LEU 16 3HD1 LEU 16 0.039 -8.267 0.028 119 1HD2 LEU 16 3HD2 LEU 16 -2.761 -6.957 -0.303 120 2HD2 LEU 16 1HD2 LEU 16 -2.199 -5.709 -1.435 121 3HD2 LEU 16 2HD2 LEU 16 -1.583 -7.358 -1.568 122 H HIS 17 H HIS 17 -0.359 -2.694 2.752 123 HA HIS 17 HA HIS 17 -2.782 -1.984 4.065 124 1HB HIS 17 1HB HIS 17 -0.706 -2.226 5.285 125 2HB HIS 17 2HB HIS 17 0.045 -0.917 4.361 126 HD1 HIS 17 HD1 HIS 17 -0.053 1.342 5.425 127 HD2 HIS 17 HD2 HIS 17 -3.168 -1.136 6.738 128 HE1 HIS 17 HE1 HIS 17 -1.389 2.650 7.147 129 H LYS 18 H LYS 18 -0.580 -0.113 1.917 130 HA LYS 18 HA LYS 18 -1.756 2.407 2.276 131 1HB LYS 18 1HB LYS 18 0.436 2.054 1.278 132 2HB LYS 18 2HB LYS 18 -0.297 1.260 -0.129 133 1HG LYS 18 1HG LYS 18 -1.407 3.360 -0.773 134 2HG LYS 18 2HG LYS 18 -0.859 4.131 0.726 135 1HD LYS 18 1HD LYS 18 0.525 4.857 -1.118 136 2HD LYS 18 2HD LYS 18 1.499 3.888 -0.001 137 1HE LYS 18 1HE LYS 18 1.356 1.948 -1.517 138 2HE LYS 18 2HE LYS 18 0.249 2.838 -2.584 139 1HZ LYS 18 2HZ LYS 18 2.012 4.385 -2.996 140 2HZ LYS 18 3HZ LYS 18 3.030 3.558 -1.996 141 3HZ LYS 18 1HZ LYS 18 2.483 2.853 -3.382 142 H LEU 19 H LEU 19 -2.360 0.011 -0.375 143 HA LEU 19 HA LEU 19 -4.454 1.572 -1.533 144 1HB LEU 19 1HB LEU 19 -4.841 -0.282 -3.005 145 2HB LEU 19 2HB LEU 19 -3.129 0.075 -2.817 146 HG LEU 19 HG LEU 19 -3.236 -1.878 -1.001 147 1HD1 LEU 19 2HD1 LEU 19 -5.704 -2.303 -1.209 148 2HD1 LEU 19 3HD1 LEU 19 -5.476 -2.640 -2.933 149 3HD1 LEU 19 1HD1 LEU 19 -4.743 -3.696 -1.709 150 1HD2 LEU 19 3HD2 LEU 19 -1.827 -1.850 -3.017 151 2HD2 LEU 19 1HD2 LEU 19 -2.555 -3.447 -2.778 152 3HD2 LEU 19 2HD2 LEU 19 -3.215 -2.347 -4.007 153 H GLN 20 H GLN 20 -4.467 -0.885 1.029 154 HA GLN 20 HA GLN 20 -7.288 -1.360 1.051 155 1HB GLN 20 1HB GLN 20 -5.723 -2.864 2.118 156 2HB GLN 20 2HB GLN 20 -5.168 -1.593 3.220 157 1HG GLN 20 1HG GLN 20 -7.446 -1.504 4.236 158 2HG GLN 20 2HG GLN 20 -7.984 -2.752 3.100 159 1HE2 GLN 20 1HE2 GLN 20 -5.336 -3.746 6.167 160 2HE2 GLN 20 2HE2 GLN 20 -5.349 -2.125 5.507 161 H THR 21 H THR 21 -5.269 0.643 3.276 162 HA THR 21 HA THR 21 -7.622 2.228 4.078 163 HB THR 21 HB THR 21 -6.131 3.135 5.777 164 HG1 THR 21 HG1 THR 21 -4.002 2.258 5.911 165 1HG2 THR 21 2HG2 THR 21 -7.262 0.950 6.195 166 2HG2 THR 21 3HG2 THR 21 -5.805 0.107 5.618 167 3HG2 THR 21 1HG2 THR 21 -5.727 1.123 7.068 168 H TYR 22 H TYR 22 -7.078 2.584 1.375 169 HA TYR 22 HA TYR 22 -5.385 4.834 0.890 170 1HB TYR 22 1HB TYR 22 -5.762 3.436 -0.927 171 2HB TYR 22 2HB TYR 22 -7.506 3.456 -0.760 172 HD1 TYR 22 HD1 TYR 22 -4.573 5.685 -1.479 173 HD2 TYR 22 HD2 TYR 22 -8.821 5.081 -1.916 174 HE1 TYR 22 HE1 TYR 22 -4.760 7.843 -2.682 175 HE2 TYR 22 HE2 TYR 22 -8.996 7.209 -3.161 176 HH TYR 22 HH TYR 22 -7.908 9.146 -3.784 177 HA PRO 23 HA PRO 23 -9.553 7.309 0.843 178 1HB PRO 23 1HB PRO 23 -10.985 5.887 3.103 179 2HB PRO 23 2HB PRO 23 -11.671 6.762 1.703 180 1HG PRO 23 1HG PRO 23 -11.527 4.067 1.665 181 2HG PRO 23 2HG PRO 23 -10.998 4.984 0.220 182 1HD PRO 23 1HD PRO 23 -9.267 3.872 2.450 183 2HD PRO 23 2HD PRO 23 -9.091 3.675 0.685 184 H ARG 24 H ARG 24 -8.148 8.852 1.554 185 HA ARG 24 HA ARG 24 -8.170 9.637 4.418 186 1HB ARG 24 1HB ARG 24 -5.691 9.199 2.682 187 2HB ARG 24 2HB ARG 24 -5.717 10.125 4.196 188 1HG ARG 24 1HG ARG 24 -6.401 8.119 5.444 189 2HG ARG 24 2HG ARG 24 -6.488 7.182 3.942 190 1HD ARG 24 1HD ARG 24 -4.438 6.677 5.103 191 2HD ARG 24 2HD ARG 24 -4.089 7.447 3.559 192 HE ARG 24 HE ARG 24 -3.745 8.539 6.303 193 1HH1 ARG 24 2HH2 ARG 24 -3.398 9.189 2.805 194 2HH1 ARG 24 1HH2 ARG 24 -2.321 10.537 3.071 195 1HH2 ARG 24 1HH1 ARG 24 -2.353 10.298 6.583 196 2HH2 ARG 24 2HH1 ARG 24 -1.736 11.169 5.198 197 H THR 25 H THR 25 -6.512 10.569 1.374 198 HA THR 25 HA THR 25 -7.684 13.269 1.369 199 HB THR 25 HB THR 25 -5.946 11.771 -0.648 200 HG1 THR 25 HG1 THR 25 -4.355 13.155 0.202 201 1HG2 THR 25 3HG2 THR 25 -6.769 14.708 -0.496 202 2HG2 THR 25 1HG2 THR 25 -5.567 14.028 -1.612 203 3HG2 THR 25 2HG2 THR 25 -7.266 13.550 -1.751 204 H ASP 26 H ASP 26 -7.678 10.308 -0.635 205 HA ASP 26 HA ASP 26 -9.202 9.143 -1.683 206 1HB ASP 26 1HB ASP 26 -10.516 9.505 0.425 207 2HB ASP 26 2HB ASP 26 -11.380 10.816 -0.389 208 H VAL 27 H VAL 27 -10.477 9.036 -3.558 209 HA VAL 27 HA VAL 27 -11.254 11.543 -4.917 210 HB VAL 27 HB VAL 27 -10.373 10.732 -7.056 211 1HG1 VAL 27 3HG1 VAL 27 -9.036 12.309 -5.710 212 2HG1 VAL 27 1HG1 VAL 27 -8.158 10.947 -4.981 213 3HG1 VAL 27 2HG1 VAL 27 -8.032 11.255 -6.721 214 1HG2 VAL 27 3HG2 VAL 27 -9.003 8.522 -5.461 215 2HG2 VAL 27 1HG2 VAL 27 -10.302 8.309 -6.650 216 3HG2 VAL 27 2HG2 VAL 27 -8.721 8.909 -7.167 217 H GLY 28 H GLY 28 -12.721 11.053 -6.779 218 1HA GLY 28 2HA GLY 28 -14.022 8.517 -7.010 219 2HA GLY 28 1HA GLY 28 -14.975 9.614 -5.985 220 H ALA 29 H ALA 29 -16.131 8.778 -8.265 221 HA ALA 29 HA ALA 29 -16.521 11.229 -9.785 222 1HB ALA 29 1HB ALA 29 -14.570 10.253 -10.974 223 2HB ALA 29 2HB ALA 29 -15.454 8.725 -11.170 224 3HB ALA 29 3HB ALA 29 -16.026 10.199 -11.981 225 H GLY 30 H GLY 30 -18.277 10.906 -11.425 226 1HA GLY 30 2HA GLY 30 -19.988 8.613 -11.382 227 2HA GLY 30 1HA GLY 30 -20.606 9.861 -10.277 228 H THR 31 H THR 31 -20.470 12.170 -11.275 229 HA THR 31 HA THR 31 -20.983 12.260 -14.199 230 HB THR 31 HB THR 31 -22.861 13.437 -12.114 231 HG1 THR 31 HG1 THR 31 -24.296 11.925 -13.013 232 1HG2 THR 31 3HG2 THR 31 -22.965 13.398 -15.170 233 2HG2 THR 31 1HG2 THR 31 -24.246 13.997 -14.097 234 3HG2 THR 31 2HG2 THR 31 -22.692 14.841 -14.172 235 HA PRO 32 HA PRO 32 -17.871 15.302 -12.646 236 1HB PRO 32 1HB PRO 32 -17.217 15.072 -15.593 237 2HB PRO 32 2HB PRO 32 -16.092 15.247 -14.213 238 1HG PRO 32 1HG PRO 32 -16.483 12.808 -15.310 239 2HG PRO 32 2HG PRO 32 -16.507 12.975 -13.526 240 1HD PRO 32 1HD PRO 32 -18.877 12.843 -15.412 241 2HD PRO 32 2HD PRO 32 -18.594 11.960 -13.883 242 1HN NH2 33 1H NH2 33 -18.867 18.475 -13.935 243 2HN NH2 33 2H NH2 33 -17.732 17.591 -12.938 No H/Q in entry = 243 Start of MODEL 7 1 1H CYS 1 1H CYS 1 17.213 -1.701 3.290 2 2H CYS 1 2H CYS 1 17.976 -1.374 1.865 3 3H CYS 1 3H CYS 1 16.426 -0.864 2.107 4 HA CYS 1 HA CYS 1 15.632 -3.066 2.221 5 1HB CYS 1 1HB CYS 1 15.605 -1.904 0.092 6 2HB CYS 1 2HB CYS 1 17.241 -2.428 -0.276 7 H SER 2 H SER 2 18.776 -3.469 0.564 8 HA SER 2 HA SER 2 20.416 -4.956 0.681 9 1HB SER 2 1HB SER 2 20.875 -3.811 2.764 10 2HB SER 2 2HB SER 2 19.830 -4.910 3.674 11 HG SER 2 HG SER 2 21.213 -6.612 3.031 12 H ASN 3 H ASN 3 18.778 -6.621 3.361 13 HA ASN 3 HA ASN 3 19.020 -9.172 2.056 14 1HB ASN 3 1HB ASN 3 17.546 -8.316 4.585 15 2HB ASN 3 2HB ASN 3 17.807 -9.985 4.061 16 1HD2 ASN 3 1HD2 ASN 3 20.908 -7.808 5.716 17 2HD2 ASN 3 2HD2 ASN 3 19.430 -7.020 5.210 18 H LEU 4 H LEU 4 17.699 -9.883 0.495 19 HA LEU 4 HA LEU 4 15.088 -8.661 -0.012 20 1HB LEU 4 1HB LEU 4 16.518 -10.925 -1.445 21 2HB LEU 4 2HB LEU 4 15.114 -10.013 -2.024 22 HG LEU 4 HG LEU 4 17.942 -8.944 -1.589 23 1HD1 LEU 4 2HD1 LEU 4 17.637 -10.365 -3.584 24 2HD1 LEU 4 3HD1 LEU 4 16.286 -9.338 -4.114 25 3HD1 LEU 4 1HD1 LEU 4 17.931 -8.674 -4.026 26 1HD2 LEU 4 3HD2 LEU 4 15.419 -7.485 -2.496 27 2HD2 LEU 4 1HD2 LEU 4 16.395 -7.134 -1.049 28 3HD2 LEU 4 2HD2 LEU 4 17.070 -6.848 -2.654 29 H SER 5 H SER 5 14.635 -9.471 2.291 30 HA SER 5 HA SER 5 12.696 -11.638 2.057 31 1HB SER 5 1HB SER 5 13.537 -12.769 4.130 32 2HB SER 5 2HB SER 5 14.605 -12.953 2.729 33 HG SER 5 HG SER 5 14.951 -11.247 4.955 34 H THR 6 H THR 6 14.435 -9.642 4.497 35 HA THR 6 HA THR 6 12.105 -8.766 5.906 36 HB THR 6 HB THR 6 14.872 -7.499 5.643 37 HG1 THR 6 HG1 THR 6 13.814 -9.348 7.512 38 1HG2 THR 6 3HG2 THR 6 12.703 -7.185 7.771 39 2HG2 THR 6 1HG2 THR 6 14.354 -6.536 7.877 40 3HG2 THR 6 2HG2 THR 6 13.245 -5.926 6.637 41 H CYS 7 H CYS 7 14.079 -7.379 3.247 42 HA CYS 7 HA CYS 7 12.762 -4.907 2.980 43 1HB CYS 7 1HB CYS 7 14.927 -5.412 2.018 44 2HB CYS 7 2HB CYS 7 14.221 -6.622 0.944 45 H VAL 8 H VAL 8 12.243 -7.967 1.112 46 HA VAL 8 HA VAL 8 10.152 -6.891 -0.463 47 HB VAL 8 HB VAL 8 9.747 -9.213 -1.159 48 1HG1 VAL 8 2HG1 VAL 8 11.511 -7.821 -2.210 49 2HG1 VAL 8 3HG1 VAL 8 12.700 -8.460 -1.054 50 3HG1 VAL 8 1HG1 VAL 8 11.923 -9.544 -2.222 51 1HG2 VAL 8 2HG2 VAL 8 11.873 -9.950 0.848 52 2HG2 VAL 8 3HG2 VAL 8 10.170 -10.460 0.906 53 3HG2 VAL 8 1HG2 VAL 8 11.221 -11.025 -0.399 54 H LEU 9 H LEU 9 10.023 -8.802 2.592 55 HA LEU 9 HA LEU 9 7.177 -9.018 2.692 56 1HB LEU 9 1HB LEU 9 9.321 -8.969 4.839 57 2HB LEU 9 2HB LEU 9 7.613 -9.206 5.211 58 HG LEU 9 HG LEU 9 9.132 -11.032 3.303 59 1HD1 LEU 9 2HD1 LEU 9 10.133 -11.099 5.586 60 2HD1 LEU 9 3HD1 LEU 9 8.526 -11.408 6.270 61 3HD1 LEU 9 1HD1 LEU 9 9.283 -12.602 5.194 62 1HD2 LEU 9 3HD2 LEU 9 6.467 -11.319 4.763 63 2HD2 LEU 9 1HD2 LEU 9 6.690 -11.143 3.009 64 3HD2 LEU 9 2HD2 LEU 9 7.267 -12.596 3.825 65 H GLY 10 H GLY 10 9.440 -6.534 3.961 66 1HA GLY 10 2HA GLY 10 7.577 -4.823 5.194 67 2HA GLY 10 1HA GLY 10 9.129 -4.346 4.483 68 H LYS 11 H LYS 11 8.755 -4.923 1.797 69 HA LYS 11 HA LYS 11 7.455 -2.587 0.913 70 1HB LYS 11 1HB LYS 11 9.377 -3.665 -0.157 71 2HB LYS 11 2HB LYS 11 8.369 -5.002 -0.716 72 1HG LYS 11 1HG LYS 11 7.656 -2.129 -1.412 73 2HG LYS 11 2HG LYS 11 8.964 -2.959 -2.263 74 1HD LYS 11 1HD LYS 11 7.457 -4.726 -3.023 75 2HD LYS 11 2HD LYS 11 6.106 -4.016 -2.132 76 1HE LYS 11 1HE LYS 11 5.906 -3.393 -4.441 77 2HE LYS 11 2HE LYS 11 6.271 -1.948 -3.483 78 1HZ LYS 11 3HZ LYS 11 8.207 -3.504 -5.051 79 2HZ LYS 11 1HZ LYS 11 7.542 -2.062 -5.497 80 3HZ LYS 11 2HZ LYS 11 8.542 -2.138 -4.190 81 H LEU 12 H LEU 12 6.462 -6.062 0.507 82 HA LEU 12 HA LEU 12 4.069 -5.339 -0.860 83 1HB LEU 12 1HB LEU 12 3.467 -7.632 -0.832 84 2HB LEU 12 2HB LEU 12 5.178 -7.433 -1.189 85 HG LEU 12 HG LEU 12 5.454 -7.913 1.423 86 1HD1 LEU 12 2HD2 LEU 12 2.987 -8.095 1.913 87 2HD1 LEU 12 3HD2 LEU 12 2.879 -9.408 0.732 88 3HD1 LEU 12 1HD2 LEU 12 3.844 -9.609 2.207 89 1HD2 LEU 12 2HD1 LEU 12 4.858 -10.056 -0.658 90 2HD2 LEU 12 3HD1 LEU 12 6.423 -9.256 -0.409 91 3HD2 LEU 12 1HD1 LEU 12 5.756 -10.303 0.853 92 H SER 13 H SER 13 4.733 -5.914 2.612 93 HA SER 13 HA SER 13 2.013 -5.889 3.476 94 1HB SER 13 1HB SER 13 4.582 -5.090 4.906 95 2HB SER 13 2HB SER 13 2.996 -5.272 5.684 96 HG SER 13 HG SER 13 4.275 -7.170 5.798 97 H GLN 14 H GLN 14 4.459 -3.273 3.172 98 HA GLN 14 HA GLN 14 2.870 -1.087 3.966 99 1HB GLN 14 1HB GLN 14 5.238 -0.939 3.785 100 2HB GLN 14 2HB GLN 14 5.239 -1.341 2.073 101 1HG GLN 14 1HG GLN 14 3.922 1.162 3.216 102 2HG GLN 14 2HG GLN 14 5.610 1.100 2.698 103 1HE2 GLN 14 1HE2 GLN 14 4.743 0.610 -0.852 104 2HE2 GLN 14 2HE2 GLN 14 5.761 -0.147 0.354 105 H GLU 15 H GLU 15 3.359 -2.530 0.705 106 HA GLU 15 HA GLU 15 1.883 -0.592 -0.699 107 1HB GLU 15 1HB GLU 15 3.554 -2.149 -1.678 108 2HB GLU 15 2HB GLU 15 2.440 -3.500 -1.428 109 1HG GLU 15 1HG GLU 15 2.369 -2.746 -3.744 110 2HG GLU 15 2HG GLU 15 0.809 -2.444 -2.976 111 H LEU 16 H LEU 16 0.893 -3.833 0.517 112 HA LEU 16 HA LEU 16 -1.795 -3.736 -0.414 113 1HB LEU 16 1HB LEU 16 -0.451 -5.219 1.872 114 2HB LEU 16 2HB LEU 16 -2.133 -5.493 1.411 115 HG LEU 16 HG LEU 16 0.162 -5.830 -0.568 116 1HD1 LEU 16 1HD1 LEU 16 0.485 -7.357 1.357 117 2HD1 LEU 16 2HD1 LEU 16 -1.182 -7.940 1.174 118 3HD1 LEU 16 3HD1 LEU 16 0.016 -8.243 -0.104 119 1HD2 LEU 16 2HD2 LEU 16 -2.721 -6.826 -0.551 120 2HD2 LEU 16 3HD2 LEU 16 -2.052 -5.580 -1.625 121 3HD2 LEU 16 1HD2 LEU 16 -1.490 -7.249 -1.757 122 H HIS 17 H HIS 17 -0.301 -2.663 2.675 123 HA HIS 17 HA HIS 17 -2.759 -1.951 3.945 124 1HB HIS 17 1HB HIS 17 -0.683 -2.361 5.166 125 2HB HIS 17 2HB HIS 17 0.077 -0.958 4.400 126 HD1 HIS 17 HD1 HIS 17 -0.403 1.346 5.394 127 HD2 HIS 17 HD2 HIS 17 -2.831 -1.664 7.011 128 HE1 HIS 17 HE1 HIS 17 -1.675 2.363 7.346 129 H LYS 18 H LYS 18 -0.504 -0.159 1.825 130 HA LYS 18 HA LYS 18 -1.644 2.417 2.197 131 1HB LYS 18 1HB LYS 18 0.603 2.099 1.342 132 2HB LYS 18 2HB LYS 18 0.002 1.208 -0.059 133 1HG LYS 18 1HG LYS 18 0.635 3.429 -0.703 134 2HG LYS 18 2HG LYS 18 -1.109 3.248 -0.910 135 1HD LYS 18 1HD LYS 18 -1.503 4.464 1.214 136 2HD LYS 18 2HD LYS 18 0.246 4.598 1.480 137 1HE LYS 18 1HE LYS 18 -1.282 5.779 -0.888 138 2HE LYS 18 2HE LYS 18 -0.802 6.672 0.567 139 1HZ LYS 18 2HZ LYS 18 1.473 6.191 0.046 140 2HZ LYS 18 3HZ LYS 18 1.032 5.396 -1.330 141 3HZ LYS 18 1HZ LYS 18 0.740 7.011 -1.183 142 H LEU 19 H LEU 19 -2.119 -0.093 -0.345 143 HA LEU 19 HA LEU 19 -4.202 1.337 -1.733 144 1HB LEU 19 1HB LEU 19 -3.362 -1.592 -1.713 145 2HB LEU 19 2HB LEU 19 -4.560 -0.915 -2.824 146 HG LEU 19 HG LEU 19 -1.680 0.057 -2.637 147 1HD1 LEU 19 3HD1 LEU 19 -1.756 -2.312 -3.312 148 2HD1 LEU 19 1HD1 LEU 19 -2.940 -1.923 -4.579 149 3HD1 LEU 19 2HD1 LEU 19 -1.286 -1.279 -4.673 150 1HD2 LEU 19 1HD2 LEU 19 -3.859 0.489 -4.731 151 2HD2 LEU 19 2HD2 LEU 19 -3.170 1.730 -3.660 152 3HD2 LEU 19 3HD2 LEU 19 -2.163 0.984 -4.903 153 H GLN 20 H GLN 20 -4.548 -1.816 -0.117 154 HA GLN 20 HA GLN 20 -6.053 -2.756 1.196 155 1HB GLN 20 1HB GLN 20 -5.088 -1.126 2.709 156 2HB GLN 20 2HB GLN 20 -6.358 0.049 2.348 157 1HG GLN 20 1HG GLN 20 -8.053 -1.546 3.240 158 2HG GLN 20 2HG GLN 20 -6.766 -2.717 3.576 159 1HE2 GLN 20 1HE2 GLN 20 -5.338 -0.751 6.303 160 2HE2 GLN 20 2HE2 GLN 20 -4.849 -1.720 4.930 161 H THR 21 H THR 21 -7.866 0.310 0.968 162 HA THR 21 HA THR 21 -10.287 -1.090 0.056 163 HB THR 21 HB THR 21 -9.732 1.845 0.670 164 HG1 THR 21 HG1 THR 21 -10.965 -0.212 2.179 165 1HG2 THR 21 3HG2 THR 21 -12.354 0.335 0.249 166 2HG2 THR 21 1HG2 THR 21 -12.204 2.016 0.803 167 3HG2 THR 21 2HG2 THR 21 -11.685 1.578 -0.832 168 H TYR 22 H TYR 22 -7.994 1.426 -1.035 169 HA TYR 22 HA TYR 22 -7.757 2.591 -2.935 170 1HB TYR 22 1HB TYR 22 -7.104 1.277 -4.872 171 2HB TYR 22 2HB TYR 22 -6.328 0.813 -3.372 172 HD1 TYR 22 HD1 TYR 22 -6.906 -1.330 -2.227 173 HD2 TYR 22 HD2 TYR 22 -8.340 -0.359 -6.172 174 HE1 TYR 22 HE1 TYR 22 -7.472 -3.710 -2.605 175 HE2 TYR 22 HE2 TYR 22 -8.926 -2.733 -6.541 176 HH TYR 22 HH TYR 22 -8.961 -4.858 -5.658 177 HA PRO 23 HA PRO 23 -12.268 2.737 -3.873 178 1HB PRO 23 1HB PRO 23 -11.478 5.655 -3.962 179 2HB PRO 23 2HB PRO 23 -12.987 4.928 -3.336 180 1HG PRO 23 1HG PRO 23 -11.051 5.681 -1.609 181 2HG PRO 23 2HG PRO 23 -11.846 4.091 -1.400 182 1HD PRO 23 2HD PRO 23 -9.176 4.677 -2.708 183 2HD PRO 23 1HD PRO 23 -9.596 3.429 -1.501 184 H ARG 24 H ARG 24 -13.356 3.162 -5.813 185 HA ARG 24 HA ARG 24 -11.814 3.444 -8.280 186 1HB ARG 24 1HB ARG 24 -13.745 1.890 -7.976 187 2HB ARG 24 2HB ARG 24 -14.818 3.281 -7.784 188 1HG ARG 24 1HG ARG 24 -14.025 4.051 -10.110 189 2HG ARG 24 2HG ARG 24 -13.197 2.493 -10.249 190 1HD ARG 24 1HD ARG 24 -16.184 2.928 -9.799 191 2HD ARG 24 2HD ARG 24 -15.419 2.485 -11.337 192 HE ARG 24 HE ARG 24 -14.637 0.554 -9.450 193 1HH1 ARG 24 2HH2 ARG 24 -17.642 1.638 -11.018 194 2HH1 ARG 24 1HH2 ARG 24 -18.414 0.077 -10.868 195 1HH2 ARG 24 1HH1 ARG 24 -15.679 -1.466 -9.260 196 2HH2 ARG 24 2HH1 ARG 24 -17.303 -1.683 -9.873 197 H THR 25 H THR 25 -10.944 5.558 -7.573 198 HA THR 25 HA THR 25 -10.803 7.784 -7.418 199 HB THR 25 HB THR 25 -11.753 9.085 -9.266 200 HG1 THR 25 HG1 THR 25 -12.966 7.986 -10.840 201 1HG2 THR 25 1HG2 THR 25 -9.671 7.773 -9.575 202 2HG2 THR 25 2HG2 THR 25 -10.630 6.394 -10.160 203 3HG2 THR 25 3HG2 THR 25 -10.607 7.913 -11.075 204 H ASP 26 H ASP 26 -11.721 7.678 -5.313 205 HA ASP 26 HA ASP 26 -12.810 8.679 -3.652 206 1HB ASP 26 1HB ASP 26 -14.614 10.134 -5.625 207 2HB ASP 26 2HB ASP 26 -14.368 10.477 -3.920 208 H VAL 27 H VAL 27 -15.247 7.865 -6.164 209 HA VAL 27 HA VAL 27 -17.205 6.735 -4.429 210 HB VAL 27 HB VAL 27 -16.511 6.216 -7.358 211 1HG1 VAL 27 2HG1 VAL 27 -17.888 4.354 -6.454 212 2HG1 VAL 27 3HG1 VAL 27 -19.088 5.536 -5.889 213 3HG1 VAL 27 1HG1 VAL 27 -18.769 5.343 -7.621 214 1HG2 VAL 27 3HG2 VAL 27 -18.599 8.029 -6.070 215 2HG2 VAL 27 1HG2 VAL 27 -17.138 8.567 -6.926 216 3HG2 VAL 27 2HG2 VAL 27 -18.421 7.735 -7.812 217 H GLY 28 H GLY 28 -17.405 4.625 -3.618 218 1HA GLY 28 2HA GLY 28 -15.071 3.221 -2.978 219 2HA GLY 28 1HA GLY 28 -16.722 2.601 -2.827 220 H ALA 29 H ALA 29 -17.739 1.905 -5.000 221 HA ALA 29 HA ALA 29 -15.981 1.008 -7.125 222 1HB ALA 29 2HB ALA 29 -17.197 -1.063 -5.240 223 2HB ALA 29 3HB ALA 29 -16.438 -1.416 -6.808 224 3HB ALA 29 1HB ALA 29 -15.467 -0.754 -5.485 225 H GLY 30 H GLY 30 -17.679 2.639 -7.809 226 1HA GLY 30 2HA GLY 30 -19.549 2.992 -9.143 227 2HA GLY 30 1HA GLY 30 -20.131 1.348 -8.833 228 H THR 31 H THR 31 -20.394 1.026 -6.253 229 HA THR 31 HA THR 31 -22.374 2.862 -5.245 230 HB THR 31 HB THR 31 -20.851 0.578 -3.917 231 HG1 THR 31 HG1 THR 31 -22.740 -0.571 -4.447 232 1HG2 THR 31 3HG2 THR 31 -21.937 2.067 -2.241 233 2HG2 THR 31 1HG2 THR 31 -23.479 1.909 -3.116 234 3HG2 THR 31 2HG2 THR 31 -22.741 0.493 -2.344 235 HA PRO 32 HA PRO 32 -19.187 5.596 -3.582 236 1HB PRO 32 1HB PRO 32 -20.662 7.236 -1.981 237 2HB PRO 32 2HB PRO 32 -20.757 7.270 -3.766 238 1HG PRO 32 1HG PRO 32 -22.596 5.801 -1.857 239 2HG PRO 32 2HG PRO 32 -23.057 6.902 -3.189 240 1HD PRO 32 1HD PRO 32 -23.032 4.213 -3.515 241 2HD PRO 32 2HD PRO 32 -22.471 5.285 -4.833 242 1HN NH2 33 1HN NH2 33 -18.107 4.712 -0.339 243 2HN NH2 33 2HN NH2 33 -17.798 5.589 -1.822 No H/Q in entry = 243 Start of MODEL 8 1 1H CYS 1 2H CYS 1 19.377 -1.824 0.868 2 2H CYS 1 3H CYS 1 18.406 -2.178 -0.417 3 3H CYS 1 1H CYS 1 17.802 -1.332 0.863 4 HA CYS 1 HA CYS 1 18.070 -3.179 2.313 5 1HB CYS 1 1HB CYS 1 16.469 -3.678 -0.207 6 2HB CYS 1 2HB CYS 1 16.434 -4.731 1.215 7 H SER 2 H SER 2 19.836 -4.362 2.725 8 HA SER 2 HA SER 2 21.178 -6.050 0.767 9 1HB SER 2 1HB SER 2 22.394 -5.058 2.658 10 2HB SER 2 2HB SER 2 21.351 -5.917 3.811 11 HG SER 2 HG SER 2 23.313 -7.015 3.403 12 H ASN 3 H ASN 3 19.043 -6.535 3.620 13 HA ASN 3 HA ASN 3 18.613 -9.368 3.066 14 1HB ASN 3 1HB ASN 3 17.364 -7.456 5.078 15 2HB ASN 3 2HB ASN 3 17.124 -9.212 5.037 16 1HD2 ASN 3 1HD2 ASN 3 20.442 -10.005 6.223 17 2HD2 ASN 3 2HD2 ASN 3 19.161 -10.581 5.180 18 H LEU 4 H LEU 4 17.820 -9.127 0.889 19 HA LEU 4 HA LEU 4 15.234 -7.882 0.370 20 1HB LEU 4 1HB LEU 4 16.983 -9.776 -1.244 21 2HB LEU 4 2HB LEU 4 15.512 -9.005 -1.855 22 HG LEU 4 HG LEU 4 17.960 -7.468 -0.874 23 1HD1 LEU 4 2HD1 LEU 4 18.500 -8.825 -2.856 24 2HD1 LEU 4 3HD1 LEU 4 17.091 -8.158 -3.709 25 3HD1 LEU 4 1HD1 LEU 4 18.446 -7.100 -3.258 26 1HD2 LEU 4 3HD2 LEU 4 15.479 -6.603 -2.437 27 2HD2 LEU 4 1HD2 LEU 4 15.894 -6.114 -0.781 28 3HD2 LEU 4 2HD2 LEU 4 16.901 -5.586 -2.132 29 H SER 5 H SER 5 14.296 -8.963 2.251 30 HA SER 5 HA SER 5 12.689 -11.265 1.566 31 1HB SER 5 1HB SER 5 13.546 -12.649 3.500 32 2HB SER 5 2HB SER 5 14.666 -12.539 2.133 33 HG SER 5 HG SER 5 15.702 -12.206 4.135 34 H THR 6 H THR 6 14.117 -9.726 4.483 35 HA THR 6 HA THR 6 11.620 -9.262 5.834 36 HB THR 6 HB THR 6 13.020 -7.734 7.235 37 HG1 THR 6 HG1 THR 6 15.258 -7.703 6.770 38 1HG2 THR 6 2HG2 THR 6 12.898 -10.163 7.736 39 2HG2 THR 6 3HG2 THR 6 14.312 -10.448 6.696 40 3HG2 THR 6 1HG2 THR 6 14.473 -9.470 8.167 41 H CYS 7 H CYS 7 13.787 -7.259 3.792 42 HA CYS 7 HA CYS 7 12.220 -4.883 3.817 43 1HB CYS 7 1HB CYS 7 14.558 -4.908 3.227 44 2HB CYS 7 2HB CYS 7 14.256 -5.967 1.846 45 H VAL 8 H VAL 8 12.279 -7.719 1.598 46 HA VAL 8 HA VAL 8 10.460 -6.703 -0.324 47 HB VAL 8 HB VAL 8 11.169 -9.542 0.502 48 1HG1 VAL 8 3HG1 VAL 8 9.543 -8.568 -1.888 49 2HG1 VAL 8 1HG1 VAL 8 10.225 -10.200 -1.721 50 3HG1 VAL 8 2HG1 VAL 8 8.985 -9.650 -0.591 51 1HG2 VAL 8 3HG2 VAL 8 13.006 -8.137 -0.476 52 2HG2 VAL 8 1HG2 VAL 8 12.550 -9.486 -1.527 53 3HG2 VAL 8 2HG2 VAL 8 11.993 -7.842 -1.898 54 H LEU 9 H LEU 9 9.853 -8.847 2.524 55 HA LEU 9 HA LEU 9 7.030 -8.910 2.303 56 1HB LEU 9 1HB LEU 9 8.909 -9.146 4.675 57 2HB LEU 9 2HB LEU 9 7.168 -9.408 4.810 58 HG LEU 9 HG LEU 9 8.895 -10.997 2.864 59 1HD1 LEU 9 3HD1 LEU 9 9.712 -11.344 5.176 60 2HD1 LEU 9 1HD1 LEU 9 8.058 -11.716 5.706 61 3HD1 LEU 9 2HD1 LEU 9 8.890 -12.787 4.558 62 1HD2 LEU 9 3HD2 LEU 9 6.120 -11.475 4.040 63 2HD2 LEU 9 1HD2 LEU 9 6.482 -11.057 2.352 64 3HD2 LEU 9 2HD2 LEU 9 7.012 -12.608 3.006 65 H GLY 10 H GLY 10 9.189 -6.552 3.910 66 1HA GLY 10 1HA GLY 10 7.265 -4.974 5.226 67 2HA GLY 10 2HA GLY 10 8.840 -4.431 4.626 68 H LYS 11 H LYS 11 8.649 -4.651 1.915 69 HA LYS 11 HA LYS 11 7.213 -2.327 1.136 70 1HB LYS 11 1HB LYS 11 8.566 -4.560 -0.408 71 2HB LYS 11 2HB LYS 11 7.814 -3.153 -1.188 72 1HG LYS 11 1HG LYS 11 9.308 -1.618 -0.177 73 2HG LYS 11 2HG LYS 11 9.887 -2.799 0.997 74 1HD LYS 11 1HD LYS 11 11.556 -2.391 -0.694 75 2HD LYS 11 2HD LYS 11 11.037 -4.078 -0.748 76 1HE LYS 11 1HE LYS 11 9.836 -1.980 -2.606 77 2HE LYS 11 2HE LYS 11 11.379 -2.769 -2.969 78 1HZ LYS 11 2HZ LYS 11 10.306 -4.874 -2.876 79 2HZ LYS 11 3HZ LYS 11 8.844 -4.176 -2.580 80 3HZ LYS 11 1HZ LYS 11 9.610 -3.902 -4.010 81 H LEU 12 H LEU 12 6.509 -5.830 0.664 82 HA LEU 12 HA LEU 12 4.170 -5.471 -0.915 83 1HB LEU 12 1HB LEU 12 5.070 -7.718 0.924 84 2HB LEU 12 2HB LEU 12 3.651 -7.834 -0.122 85 HG LEU 12 HG LEU 12 6.437 -7.239 -1.196 86 1HD1 LEU 12 2HD1 LEU 12 6.440 -9.426 -0.050 87 2HD1 LEU 12 3HD1 LEU 12 5.001 -9.918 -0.968 88 3HD1 LEU 12 1HD1 LEU 12 6.542 -9.630 -1.807 89 1HD2 LEU 12 2HD2 LEU 12 3.873 -8.210 -2.536 90 2HD2 LEU 12 3HD2 LEU 12 4.630 -6.617 -2.753 91 3HD2 LEU 12 1HD2 LEU 12 5.455 -8.068 -3.328 92 H SER 13 H SER 13 4.515 -6.059 2.624 93 HA SER 13 HA SER 13 1.758 -5.936 3.223 94 1HB SER 13 1HB SER 13 2.468 -5.604 5.545 95 2HB SER 13 2HB SER 13 3.402 -6.882 4.747 96 HG SER 13 HG SER 13 4.234 -4.198 5.150 97 H GLN 14 H GLN 14 4.220 -3.336 3.101 98 HA GLN 14 HA GLN 14 2.611 -1.213 4.052 99 1HB GLN 14 1HB GLN 14 5.041 -1.122 3.885 100 2HB GLN 14 2HB GLN 14 4.957 -1.210 2.114 101 1HG GLN 14 1HG GLN 14 3.756 0.961 2.064 102 2HG GLN 14 2HG GLN 14 3.784 1.015 3.837 103 1HE2 GLN 14 1HE2 GLN 14 6.541 3.209 2.901 104 2HE2 GLN 14 2HE2 GLN 14 4.793 3.195 3.000 105 H GLU 15 H GLU 15 3.221 -2.394 0.699 106 HA GLU 15 HA GLU 15 1.671 -0.443 -0.637 107 1HB GLU 15 1HB GLU 15 3.371 -1.844 -1.706 108 2HB GLU 15 2HB GLU 15 2.378 -3.290 -1.455 109 1HG GLU 15 1HG GLU 15 0.617 -2.348 -2.916 110 2HG GLU 15 2HG GLU 15 1.554 -0.855 -3.101 111 H LEU 16 H LEU 16 0.823 -3.755 0.481 112 HA LEU 16 HA LEU 16 -1.843 -3.788 -0.476 113 1HB LEU 16 1HB LEU 16 -0.453 -5.227 1.808 114 2HB LEU 16 2HB LEU 16 -2.107 -5.598 1.313 115 HG LEU 16 HG LEU 16 0.227 -5.738 -0.644 116 1HD1 LEU 16 3HD1 LEU 16 0.671 -7.266 1.246 117 2HD1 LEU 16 1HD1 LEU 16 -0.952 -7.966 1.068 118 3HD1 LEU 16 2HD1 LEU 16 0.255 -8.166 -0.221 119 1HD2 LEU 16 3HD2 LEU 16 -2.567 -6.962 -0.658 120 2HD2 LEU 16 1HD2 LEU 16 -2.002 -5.639 -1.701 121 3HD2 LEU 16 2HD2 LEU 16 -1.304 -7.253 -1.870 122 H HIS 17 H HIS 17 -0.488 -2.670 2.658 123 HA HIS 17 HA HIS 17 -3.005 -2.091 3.887 124 1HB HIS 17 1HB HIS 17 -0.973 -2.351 5.180 125 2HB HIS 17 2HB HIS 17 -0.208 -0.992 4.347 126 HD1 HIS 17 HD1 HIS 17 -0.811 1.394 5.087 127 HD2 HIS 17 HD2 HIS 17 -3.033 -1.569 7.052 128 HE1 HIS 17 HE1 HIS 17 -2.066 2.523 6.988 129 H LYS 18 H LYS 18 -0.672 -0.068 2.064 130 HA LYS 18 HA LYS 18 -1.926 2.412 2.327 131 1HB LYS 18 1HB LYS 18 0.382 2.008 1.549 132 2HB LYS 18 2HB LYS 18 -0.249 1.346 0.030 133 1HG LYS 18 1HG LYS 18 -1.271 3.575 -0.480 134 2HG LYS 18 2HG LYS 18 -0.689 4.175 1.076 135 1HD LYS 18 1HD LYS 18 0.817 4.922 -0.665 136 2HD LYS 18 2HD LYS 18 1.652 3.787 0.393 137 1HE LYS 18 1HE LYS 18 2.177 3.455 -2.010 138 2HE LYS 18 2HE LYS 18 1.471 2.009 -1.285 139 1HZ LYS 18 3HZ LYS 18 0.014 3.993 -2.887 140 2HZ LYS 18 1HZ LYS 18 0.550 2.528 -3.432 141 3HZ LYS 18 2HZ LYS 18 -0.613 2.599 -2.267 142 H LEU 19 H LEU 19 -2.277 -0.065 -0.255 143 HA LEU 19 HA LEU 19 -4.423 1.396 -1.605 144 1HB LEU 19 1HB LEU 19 -3.279 -1.392 -2.012 145 2HB LEU 19 2HB LEU 19 -4.481 -0.613 -3.054 146 HG LEU 19 HG LEU 19 -1.639 0.384 -2.533 147 1HD1 LEU 19 3HD1 LEU 19 -1.716 -1.733 -3.799 148 2HD1 LEU 19 1HD1 LEU 19 -2.838 -0.999 -4.965 149 3HD1 LEU 19 2HD1 LEU 19 -1.176 -0.386 -4.816 150 1HD2 LEU 19 3HD2 LEU 19 -3.774 1.372 -4.478 151 2HD2 LEU 19 1HD2 LEU 19 -3.073 2.286 -3.121 152 3HD2 LEU 19 2HD2 LEU 19 -2.069 1.859 -4.507 153 H GLN 20 H GLN 20 -4.626 -2.027 -0.767 154 HA GLN 20 HA GLN 20 -6.009 -3.275 0.405 155 1HB GLN 20 1HB GLN 20 -5.502 -1.703 2.276 156 2HB GLN 20 2HB GLN 20 -6.982 -0.807 1.904 157 1HG GLN 20 1HG GLN 20 -8.323 -2.851 2.294 158 2HG GLN 20 2HG GLN 20 -6.838 -3.763 2.613 159 1HE2 GLN 20 1HE2 GLN 20 -8.223 -1.006 5.402 160 2HE2 GLN 20 2HE2 GLN 20 -8.695 -0.877 3.722 161 H THR 21 H THR 21 -7.974 -0.289 0.010 162 HA THR 21 HA THR 21 -10.232 -1.890 -0.999 163 HB THR 21 HB THR 21 -10.460 -0.227 0.838 164 HG1 THR 21 HG1 THR 21 -12.342 0.722 -0.094 165 1HG2 THR 21 2HG2 THR 21 -8.939 1.561 -0.029 166 2HG2 THR 21 3HG2 THR 21 -10.101 1.885 -1.336 167 3HG2 THR 21 1HG2 THR 21 -10.563 2.154 0.350 168 H TYR 22 H TYR 22 -7.670 -1.208 -2.630 169 HA TYR 22 HA TYR 22 -6.960 -0.277 -4.529 170 1HB TYR 22 1HB TYR 22 -8.237 -0.789 -6.551 171 2HB TYR 22 2HB TYR 22 -7.917 -2.141 -5.483 172 HD1 TYR 22 HD2 TYR 22 -9.713 -3.258 -4.209 173 HD2 TYR 22 HD1 TYR 22 -10.549 -0.165 -7.099 174 HE1 TYR 22 HE2 TYR 22 -12.089 -3.947 -4.268 175 HE2 TYR 22 HE1 TYR 22 -12.932 -0.818 -7.106 176 HH TYR 22 HH TYR 22 -14.190 -3.506 -5.096 177 HA PRO 23 HA PRO 23 -9.505 3.478 -3.696 178 1HB PRO 23 1HB PRO 23 -7.732 5.070 -2.400 179 2HB PRO 23 2HB PRO 23 -8.505 3.679 -1.599 180 1HG PRO 23 1HG PRO 23 -5.787 3.706 -2.973 181 2HG PRO 23 2HG PRO 23 -6.155 3.195 -1.294 182 1HD PRO 23 2HD PRO 23 -6.016 1.403 -3.325 183 2HD PRO 23 1HD PRO 23 -7.298 1.270 -2.080 184 H ARG 24 H ARG 24 -9.321 5.748 -4.269 185 HA ARG 24 HA ARG 24 -8.262 6.271 -6.874 186 1HB ARG 24 1HB ARG 24 -9.211 8.491 -6.544 187 2HB ARG 24 2HB ARG 24 -10.333 7.235 -6.002 188 1HG ARG 24 1HG ARG 24 -9.400 7.653 -3.622 189 2HG ARG 24 2HG ARG 24 -8.646 9.107 -4.293 190 1HD ARG 24 1HD ARG 24 -10.795 10.025 -4.902 191 2HD ARG 24 2HD ARG 24 -11.631 8.523 -4.491 192 HE ARG 24 HE ARG 24 -10.765 10.620 -2.683 193 1HH1 ARG 24 2HH2 ARG 24 -11.496 7.142 -2.881 194 2HH1 ARG 24 1HH2 ARG 24 -11.739 6.980 -1.160 195 1HH2 ARG 24 1HH1 ARG 24 -11.131 10.376 -0.435 196 2HH2 ARG 24 2HH1 ARG 24 -11.567 8.815 0.220 197 H THR 25 H THR 25 -7.162 7.003 -3.564 198 HA THR 25 HA THR 25 -4.527 7.875 -4.597 199 HB THR 25 HB THR 25 -5.946 9.896 -4.166 200 HG1 THR 25 HG1 THR 25 -3.686 9.913 -3.899 201 1HG2 THR 25 1HG2 THR 25 -7.312 9.007 -2.265 202 2HG2 THR 25 2HG2 THR 25 -5.862 9.014 -1.240 203 3HG2 THR 25 3HG2 THR 25 -6.506 10.535 -1.879 204 H ASP 26 H ASP 26 -3.016 8.113 -2.571 205 HA ASP 26 HA ASP 26 -2.777 5.539 -1.387 206 1HB ASP 26 1HB ASP 26 -1.497 8.183 -0.581 207 2HB ASP 26 2HB ASP 26 -0.952 6.572 -0.091 208 H VAL 27 H VAL 27 -4.193 4.740 0.026 209 HA VAL 27 HA VAL 27 -5.765 4.514 1.584 210 HB VAL 27 HB VAL 27 -4.382 6.743 3.137 211 1HG1 VAL 27 1HG1 VAL 27 -6.066 4.351 4.021 212 2HG1 VAL 27 2HG1 VAL 27 -5.258 5.507 5.096 213 3HG1 VAL 27 3HG1 VAL 27 -6.593 6.042 4.074 214 1HG2 VAL 27 2HG2 VAL 27 -3.806 3.751 3.091 215 2HG2 VAL 27 3HG2 VAL 27 -2.714 5.024 2.497 216 3HG2 VAL 27 1HG2 VAL 27 -3.100 4.925 4.217 217 H GLY 28 H GLY 28 -6.957 5.432 -0.352 218 1HA GLY 28 2HA GLY 28 -8.256 8.056 0.053 219 2HA GLY 28 1HA GLY 28 -8.487 6.925 -1.283 220 H ALA 29 H ALA 29 -9.306 7.629 2.077 221 HA ALA 29 HA ALA 29 -11.081 5.349 2.418 222 1HB ALA 29 1HB ALA 29 -9.767 6.232 4.273 223 2HB ALA 29 2HB ALA 29 -10.568 7.810 4.133 224 3HB ALA 29 3HB ALA 29 -11.502 6.374 4.615 225 H GLY 30 H GLY 30 -12.377 5.836 0.450 226 1HA GLY 30 2HA GLY 30 -14.941 6.701 1.107 227 2HA GLY 30 1HA GLY 30 -14.155 8.096 0.342 228 H THR 31 H THR 31 -13.767 4.590 -0.347 229 HA THR 31 HA THR 31 -15.434 4.597 -2.658 230 HB THR 31 HB THR 31 -13.515 5.862 -3.607 231 HG1 THR 31 HG1 THR 31 -13.193 4.480 -5.364 232 1HG2 THR 31 2HG2 THR 31 -11.702 4.803 -2.170 233 2HG2 THR 31 3HG2 THR 31 -11.838 3.357 -3.193 234 3HG2 THR 31 1HG2 THR 31 -11.351 4.908 -3.905 235 HA PRO 32 HA PRO 32 -15.034 0.333 -1.332 236 1HB PRO 32 1HB PRO 32 -16.364 -1.013 -3.296 237 2HB PRO 32 2HB PRO 32 -17.194 0.086 -2.156 238 1HG PRO 32 1HG PRO 32 -16.198 0.748 -4.944 239 2HG PRO 32 2HG PRO 32 -17.838 1.018 -4.280 240 1HD PRO 32 1HD PRO 32 -15.995 2.993 -4.299 241 2HD PRO 32 2HD PRO 32 -17.068 2.787 -2.887 242 1HN NH2 33 1HN NH2 33 -12.710 -1.709 -3.123 243 2HN NH2 33 2HN NH2 33 -13.997 -1.718 -1.937 No H/Q in entry = 243 Start of MODEL 9 1 1H CYS 1 3H CYS 1 16.186 -1.310 2.946 2 2H CYS 1 1H CYS 1 17.218 -1.063 1.683 3 3H CYS 1 2H CYS 1 15.620 -0.685 1.528 4 HA CYS 1 HA CYS 1 14.983 -2.936 1.744 5 1HB CYS 1 1HB CYS 1 15.367 -2.000 -0.472 6 2HB CYS 1 2HB CYS 1 17.073 -2.434 -0.400 7 H SER 2 H SER 2 15.684 -3.875 3.676 8 HA SER 2 HA SER 2 18.341 -4.863 4.141 9 1HB SER 2 1HB SER 2 15.650 -5.510 5.407 10 2HB SER 2 2HB SER 2 17.223 -6.078 6.012 11 HG SER 2 HG SER 2 16.420 -3.377 5.675 12 H ASN 3 H ASN 3 19.110 -6.208 2.582 13 HA ASN 3 HA ASN 3 19.470 -8.051 1.358 14 1HB ASN 3 1HB ASN 3 17.553 -9.494 3.238 15 2HB ASN 3 2HB ASN 3 18.859 -10.199 2.276 16 1HD2 ASN 3 1HD2 ASN 3 21.511 -8.982 4.408 17 2HD2 ASN 3 2HD2 ASN 3 21.122 -9.282 2.728 18 H LEU 4 H LEU 4 17.193 -10.196 1.117 19 HA LEU 4 HA LEU 4 15.241 -8.758 -0.562 20 1HB LEU 4 1HB LEU 4 15.490 -10.371 -2.361 21 2HB LEU 4 2HB LEU 4 16.924 -9.374 -2.179 22 HG LEU 4 HG LEU 4 16.889 -12.083 -0.817 23 1HD1 LEU 4 2HD1 LEU 4 17.393 -11.627 -3.785 24 2HD1 LEU 4 3HD1 LEU 4 17.703 -13.134 -2.895 25 3HD1 LEU 4 1HD1 LEU 4 16.043 -12.543 -3.077 26 1HD2 LEU 4 1HD2 LEU 4 19.065 -10.472 -2.233 27 2HD2 LEU 4 2HD2 LEU 4 18.871 -10.614 -0.475 28 3HD2 LEU 4 3HD2 LEU 4 19.288 -12.037 -1.429 29 H SER 5 H SER 5 14.845 -9.562 1.984 30 HA SER 5 HA SER 5 12.808 -11.677 1.695 31 1HB SER 5 1HB SER 5 15.082 -11.801 3.735 32 2HB SER 5 2HB SER 5 13.625 -12.818 3.747 33 HG SER 5 HG SER 5 14.258 -13.538 1.649 34 H THR 6 H THR 6 14.497 -9.743 4.232 35 HA THR 6 HA THR 6 12.086 -8.947 5.576 36 HB THR 6 HB THR 6 14.890 -7.757 5.590 37 HG1 THR 6 HG1 THR 6 13.601 -9.616 7.289 38 1HG2 THR 6 3HG2 THR 6 12.562 -7.415 7.536 39 2HG2 THR 6 1HG2 THR 6 14.225 -6.851 7.808 40 3HG2 THR 6 2HG2 THR 6 13.258 -6.142 6.506 41 H CYS 7 H CYS 7 14.165 -7.502 3.046 42 HA CYS 7 HA CYS 7 12.833 -5.051 2.640 43 1HB CYS 7 1HB CYS 7 14.985 -5.597 1.676 44 2HB CYS 7 2HB CYS 7 14.295 -6.913 0.735 45 H VAL 8 H VAL 8 12.269 -8.285 1.150 46 HA VAL 8 HA VAL 8 10.220 -7.456 -0.626 47 HB VAL 8 HB VAL 8 10.908 -10.186 0.533 48 1HG1 VAL 8 3HG1 VAL 8 9.052 -9.448 -1.773 49 2HG1 VAL 8 1HG1 VAL 8 9.647 -11.086 -1.428 50 3HG1 VAL 8 2HG1 VAL 8 8.595 -10.273 -0.265 51 1HG2 VAL 8 3HG2 VAL 8 12.694 -9.110 -0.844 52 2HG2 VAL 8 1HG2 VAL 8 11.998 -10.523 -1.650 53 3HG2 VAL 8 2HG2 VAL 8 11.528 -8.889 -2.161 54 H LEU 9 H LEU 9 9.985 -9.120 2.567 55 HA LEU 9 HA LEU 9 7.169 -9.085 2.797 56 1HB LEU 9 1HB LEU 9 9.385 -9.001 4.875 57 2HB LEU 9 2HB LEU 9 7.684 -9.234 5.288 58 HG LEU 9 HG LEU 9 9.169 -11.099 3.383 59 1HD1 LEU 9 3HD1 LEU 9 10.285 -11.103 5.586 60 2HD1 LEU 9 1HD1 LEU 9 8.722 -11.383 6.383 61 3HD1 LEU 9 2HD1 LEU 9 9.410 -12.618 5.307 62 1HD2 LEU 9 2HD2 LEU 9 6.575 -11.392 4.961 63 2HD2 LEU 9 3HD2 LEU 9 6.713 -11.226 3.198 64 3HD2 LEU 9 1HD2 LEU 9 7.346 -12.667 3.998 65 H GLY 10 H GLY 10 9.602 -6.619 3.679 66 1HA GLY 10 1HA GLY 10 7.915 -4.771 4.992 67 2HA GLY 10 2HA GLY 10 9.427 -4.409 4.143 68 H LYS 11 H LYS 11 8.840 -5.076 1.515 69 HA LYS 11 HA LYS 11 7.437 -2.771 0.658 70 1HB LYS 11 1HB LYS 11 9.286 -3.747 -0.614 71 2HB LYS 11 2HB LYS 11 8.362 -5.231 -0.873 72 1HG LYS 11 1HG LYS 11 8.312 -3.893 -2.880 73 2HG LYS 11 2HG LYS 11 6.687 -3.975 -2.204 74 1HD LYS 11 1HD LYS 11 7.081 -1.664 -1.189 75 2HD LYS 11 2HD LYS 11 8.666 -1.658 -1.980 76 1HE LYS 11 1HE LYS 11 7.138 -0.404 -3.342 77 2HE LYS 11 2HE LYS 11 7.455 -1.926 -4.194 78 1HZ LYS 11 3HZ LYS 11 5.111 -1.326 -2.523 79 2HZ LYS 11 1HZ LYS 11 5.138 -1.344 -4.173 80 3HZ LYS 11 2HZ LYS 11 5.371 -2.741 -3.330 81 H LEU 12 H LEU 12 6.513 -6.242 0.780 82 HA LEU 12 HA LEU 12 3.978 -5.965 -0.505 83 1HB LEU 12 1HB LEU 12 5.043 -7.967 1.521 84 2HB LEU 12 2HB LEU 12 3.484 -8.142 0.709 85 HG LEU 12 HG LEU 12 6.117 -7.913 -0.805 86 1HD1 LEU 12 2HD2 LEU 12 6.162 -9.902 0.654 87 2HD1 LEU 12 3HD2 LEU 12 4.584 -10.415 0.019 88 3HD1 LEU 12 1HD2 LEU 12 6.004 -10.368 -1.048 89 1HD2 LEU 12 2HD1 LEU 12 3.340 -8.868 -1.634 90 2HD2 LEU 12 3HD1 LEU 12 4.150 -7.389 -2.193 91 3HD2 LEU 12 1HD1 LEU 12 4.800 -8.968 -2.637 92 H SER 13 H SER 13 4.933 -5.882 2.953 93 HA SER 13 HA SER 13 2.363 -5.515 4.058 94 1HB SER 13 1HB SER 13 4.348 -6.092 5.377 95 2HB SER 13 2HB SER 13 5.059 -4.497 5.052 96 HG SER 13 HG SER 13 3.965 -4.591 7.056 97 H GLN 14 H GLN 14 4.788 -3.089 2.992 98 HA GLN 14 HA GLN 14 3.352 -0.735 3.558 99 1HB GLN 14 1HB GLN 14 5.679 -0.703 3.085 100 2HB GLN 14 2HB GLN 14 5.477 -1.418 1.490 101 1HG GLN 14 1HG GLN 14 4.303 1.285 2.258 102 2HG GLN 14 2HG GLN 14 5.937 1.094 1.613 103 1HE2 GLN 14 1HE2 GLN 14 3.132 1.654 -1.068 104 2HE2 GLN 14 2HE2 GLN 14 3.176 2.247 0.578 105 H GLU 15 H GLU 15 3.415 -2.739 0.572 106 HA GLU 15 HA GLU 15 1.797 -1.044 -0.996 107 1HB GLU 15 1HB GLU 15 3.308 -2.778 -1.854 108 2HB GLU 15 2HB GLU 15 2.257 -4.048 -1.207 109 1HG GLU 15 1HG GLU 15 0.429 -3.314 -2.690 110 2HG GLU 15 2HG GLU 15 1.420 -1.963 -3.272 111 H LEU 16 H LEU 16 0.944 -3.937 0.964 112 HA LEU 16 HA LEU 16 -1.837 -3.948 0.345 113 1HB LEU 16 1HB LEU 16 -0.233 -5.012 2.697 114 2HB LEU 16 2HB LEU 16 -1.954 -5.343 2.480 115 HG LEU 16 HG LEU 16 0.111 -6.061 0.352 116 1HD1 LEU 16 2HD1 LEU 16 0.689 -7.208 2.462 117 2HD1 LEU 16 3HD1 LEU 16 -0.981 -7.796 2.606 118 3HD1 LEU 16 1HD1 LEU 16 0.049 -8.348 1.266 119 1HD2 LEU 16 1HD2 LEU 16 -2.734 -7.026 0.888 120 2HD2 LEU 16 2HD2 LEU 16 -2.219 -5.992 -0.462 121 3HD2 LEU 16 3HD2 LEU 16 -1.644 -7.659 -0.362 122 H HIS 17 H HIS 17 0.025 -2.377 2.981 123 HA HIS 17 HA HIS 17 -2.234 -1.368 4.400 124 1HB HIS 17 1HB HIS 17 0.007 -1.618 5.361 125 2HB HIS 17 2HB HIS 17 0.651 -0.412 4.239 126 HD1 HIS 17 HD1 HIS 17 1.408 1.226 6.041 127 HD2 HIS 17 HD2 HIS 17 -2.667 0.272 6.300 128 HE1 HIS 17 HE1 HIS 17 0.361 2.814 7.726 129 H LYS 18 H LYS 18 -0.231 -0.039 1.756 130 HA LYS 18 HA LYS 18 -1.345 2.580 1.760 131 1HB LYS 18 1HB LYS 18 0.844 2.107 0.849 132 2HB LYS 18 2HB LYS 18 0.175 0.967 -0.324 133 1HG LYS 18 1HG LYS 18 0.760 3.035 -1.409 134 2HG LYS 18 2HG LYS 18 -0.989 2.805 -1.487 135 1HD LYS 18 1HD LYS 18 -1.309 4.442 0.335 136 2HD LYS 18 2HD LYS 18 0.447 4.548 0.571 137 1HE LYS 18 1HE LYS 18 -0.323 6.477 -0.695 138 2HE LYS 18 2HE LYS 18 0.705 5.465 -1.720 139 1HZ LYS 18 3HZ LYS 18 -2.232 5.474 -1.733 140 2HZ LYS 18 1HZ LYS 18 -1.261 6.204 -2.847 141 3HZ LYS 18 2HZ LYS 18 -1.265 4.562 -2.708 142 H LEU 19 H LEU 19 -1.825 -0.121 -0.589 143 HA LEU 19 HA LEU 19 -3.990 1.201 -1.928 144 1HB LEU 19 1HB LEU 19 -3.153 -1.728 -1.959 145 2HB LEU 19 2HB LEU 19 -4.226 -0.937 -3.118 146 HG LEU 19 HG LEU 19 -1.282 -0.267 -2.696 147 1HD1 LEU 19 2HD1 LEU 19 -1.683 -2.484 -3.722 148 2HD1 LEU 19 3HD1 LEU 19 -2.700 -1.723 -4.963 149 3HD1 LEU 19 1HD1 LEU 19 -0.966 -1.343 -4.875 150 1HD2 LEU 19 3HD2 LEU 19 -3.312 0.780 -4.721 151 2HD2 LEU 19 1HD2 LEU 19 -2.465 1.732 -3.479 152 3HD2 LEU 19 2HD2 LEU 19 -1.557 1.030 -4.821 153 H GLN 20 H GLN 20 -4.040 -1.847 -0.043 154 HA GLN 20 HA GLN 20 -5.477 -2.767 1.387 155 1HB GLN 20 1HB GLN 20 -4.821 -0.737 2.613 156 2HB GLN 20 2HB GLN 20 -6.237 0.121 2.027 157 1HG GLN 20 1HG GLN 20 -7.686 -1.619 3.139 158 2HG GLN 20 2HG GLN 20 -6.217 -2.387 3.762 159 1HE2 GLN 20 1HE2 GLN 20 -5.442 0.396 6.015 160 2HE2 GLN 20 2HE2 GLN 20 -4.649 -0.684 4.889 161 H THR 21 H THR 21 -7.845 -0.203 0.968 162 HA THR 21 HA THR 21 -9.940 -1.959 0.087 163 HB THR 21 HB THR 21 -9.627 1.056 0.128 164 HG1 THR 21 HG1 THR 21 -10.862 -0.758 1.918 165 1HG2 THR 21 3HG2 THR 21 -12.145 -0.643 -0.181 166 2HG2 THR 21 1HG2 THR 21 -12.128 1.104 0.145 167 3HG2 THR 21 2HG2 THR 21 -11.484 0.489 -1.384 168 H TYR 22 H TYR 22 -7.593 0.130 -1.456 169 HA TYR 22 HA TYR 22 -6.481 -0.652 -3.256 170 1HB TYR 22 1HB TYR 22 -9.055 -1.274 -4.707 171 2HB TYR 22 2HB TYR 22 -7.440 -1.340 -5.381 172 HD1 TYR 22 HD2 TYR 22 -5.715 -2.707 -3.555 173 HD2 TYR 22 HD1 TYR 22 -9.867 -3.474 -4.454 174 HE1 TYR 22 HE2 TYR 22 -5.492 -4.980 -2.640 175 HE2 TYR 22 HE1 TYR 22 -9.624 -5.768 -3.566 176 HH TYR 22 HH TYR 22 -6.545 -6.974 -2.183 177 HA PRO 23 HA PRO 23 -7.642 3.229 -5.691 178 1HB PRO 23 1HB PRO 23 -9.995 4.570 -5.167 179 2HB PRO 23 2HB PRO 23 -9.794 3.339 -6.443 180 1HG PRO 23 1HG PRO 23 -10.971 2.955 -3.687 181 2HG PRO 23 2HG PRO 23 -11.583 2.358 -5.249 182 1HD PRO 23 1HD PRO 23 -10.134 0.785 -3.574 183 2HD PRO 23 2HD PRO 23 -9.972 0.661 -5.352 184 H ARG 24 H ARG 24 -9.449 3.433 -2.578 185 HA ARG 24 HA ARG 24 -7.170 4.304 -1.130 186 1HB ARG 24 1HB ARG 24 -7.729 6.502 -0.522 187 2HB ARG 24 2HB ARG 24 -7.990 6.499 -2.268 188 1HG ARG 24 1HG ARG 24 -10.466 6.061 -1.768 189 2HG ARG 24 2HG ARG 24 -10.077 6.324 -0.055 190 1HD ARG 24 1HD ARG 24 -8.995 8.564 -0.931 191 2HD ARG 24 2HD ARG 24 -10.084 8.329 -2.306 192 HE ARG 24 HE ARG 24 -10.713 9.263 0.318 193 1HH1 ARG 24 2HH2 ARG 24 -12.151 7.182 -2.198 194 2HH1 ARG 24 1HH2 ARG 24 -13.759 7.322 -1.528 195 1HH2 ARG 24 1HH1 ARG 24 -12.821 9.441 1.125 196 2HH2 ARG 24 2HH1 ARG 24 -14.141 8.603 0.338 197 H THR 25 H THR 25 -7.762 4.505 1.220 198 HA THR 25 HA THR 25 -9.837 2.624 1.999 199 HB THR 25 HB THR 25 -8.037 4.433 3.654 200 HG1 THR 25 HG1 THR 25 -7.853 1.693 2.971 201 1HG2 THR 25 3HG2 THR 25 -9.745 2.022 4.429 202 2HG2 THR 25 1HG2 THR 25 -8.576 2.846 5.484 203 3HG2 THR 25 2HG2 THR 25 -10.030 3.699 4.943 204 H ASP 26 H ASP 26 -11.761 3.465 1.243 205 HA ASP 26 HA ASP 26 -12.577 6.126 1.300 206 1HB ASP 26 1HB ASP 26 -13.594 4.393 -0.096 207 2HB ASP 26 2HB ASP 26 -14.231 3.571 1.336 208 H VAL 27 H VAL 27 -13.421 7.438 2.798 209 HA VAL 27 HA VAL 27 -13.902 8.331 4.782 210 HB VAL 27 HB VAL 27 -15.069 5.637 5.608 211 1HG1 VAL 27 1HG1 VAL 27 -15.465 8.456 6.697 212 2HG1 VAL 27 2HG1 VAL 27 -16.360 7.009 7.202 213 3HG1 VAL 27 3HG1 VAL 27 -14.628 7.130 7.530 214 1HG2 VAL 27 1HG2 VAL 27 -16.366 8.085 4.327 215 2HG2 VAL 27 2HG2 VAL 27 -16.172 6.492 3.567 216 3HG2 VAL 27 3HG2 VAL 27 -17.229 6.673 4.970 217 H GLY 28 H GLY 28 -11.762 8.732 5.202 218 1HA GLY 28 2HA GLY 28 -10.080 8.767 6.840 219 2HA GLY 28 1HA GLY 28 -10.454 7.107 7.319 220 H ALA 29 H ALA 29 -9.510 8.925 4.362 221 HA ALA 29 HA ALA 29 -7.875 6.703 3.332 222 1HB ALA 29 2HB ALA 29 -9.360 7.970 1.848 223 2HB ALA 29 3HB ALA 29 -8.488 9.469 2.226 224 3HB ALA 29 1HB ALA 29 -7.664 8.145 1.370 225 H GLY 30 H GLY 30 -6.675 7.039 5.537 226 1HA GLY 30 2HA GLY 30 -5.013 9.317 5.927 227 2HA GLY 30 1HA GLY 30 -4.897 7.760 6.759 228 H THR 31 H THR 31 -3.936 5.921 5.385 229 HA THR 31 HA THR 31 -1.322 6.664 4.645 230 HB THR 31 HB THR 31 -2.687 4.000 4.122 231 HG1 THR 31 HG1 THR 31 -1.854 3.516 6.138 232 1HG2 THR 31 3HG2 THR 31 -0.471 4.364 2.957 233 2HG2 THR 31 1HG2 THR 31 0.244 4.737 4.536 234 3HG2 THR 31 2HG2 THR 31 -0.416 3.119 4.218 235 HA PRO 32 HA PRO 32 -2.616 6.668 0.070 236 1HB PRO 32 1HB PRO 32 -5.086 6.047 -0.819 237 2HB PRO 32 2HB PRO 32 -3.917 4.782 -0.376 238 1HG PRO 32 1HG PRO 32 -6.130 5.905 1.374 239 2HG PRO 32 2HG PRO 32 -5.777 4.186 1.007 240 1HD PRO 32 1HD PRO 32 -4.870 5.407 3.265 241 2HD PRO 32 2HD PRO 32 -3.928 4.161 2.393 242 1HN NH2 33 1HN NH2 33 -3.678 9.954 1.288 243 2HN NH2 33 2HN NH2 33 -2.403 8.776 1.525 No H/Q in entry = 243 Start of MODEL 10 1 1H CYS 1 3H CYS 1 17.835 -1.892 2.725 2 2H CYS 1 1H CYS 1 18.087 -1.319 1.200 3 3H CYS 1 2H CYS 1 16.627 -1.096 1.933 4 HA CYS 1 HA CYS 1 16.204 -3.409 1.969 5 1HB CYS 1 1HB CYS 1 15.481 -1.968 0.071 6 2HB CYS 1 2HB CYS 1 16.951 -2.400 -0.796 7 H SER 2 H SER 2 18.427 -3.894 3.137 8 HA SER 2 HA SER 2 20.562 -4.950 1.502 9 1HB SER 2 1HB SER 2 20.004 -5.145 4.493 10 2HB SER 2 2HB SER 2 21.495 -5.671 3.682 11 HG SER 2 HG SER 2 20.411 -3.050 3.672 12 H ASN 3 H ASN 3 18.540 -6.623 3.982 13 HA ASN 3 HA ASN 3 18.949 -9.209 2.738 14 1HB ASN 3 1HB ASN 3 18.745 -8.962 5.168 15 2HB ASN 3 2HB ASN 3 17.119 -8.289 4.987 16 1HD2 ASN 3 1HD2 ASN 3 16.095 -11.631 5.722 17 2HD2 ASN 3 2HD2 ASN 3 16.298 -10.011 6.351 18 H LEU 4 H LEU 4 17.885 -9.790 0.933 19 HA LEU 4 HA LEU 4 15.404 -8.475 0.081 20 1HB LEU 4 1HB LEU 4 16.997 -10.711 -1.220 21 2HB LEU 4 2HB LEU 4 15.718 -9.734 -1.961 22 HG LEU 4 HG LEU 4 18.472 -8.773 -1.054 23 1HD1 LEU 4 2HD1 LEU 4 18.434 -10.087 -3.143 24 2HD1 LEU 4 3HD1 LEU 4 17.205 -8.992 -3.813 25 3HD1 LEU 4 1HD1 LEU 4 18.835 -8.387 -3.447 26 1HD2 LEU 4 3HD2 LEU 4 16.153 -7.190 -2.249 27 2HD2 LEU 4 1HD2 LEU 4 16.908 -6.940 -0.656 28 3HD2 LEU 4 2HD2 LEU 4 17.824 -6.602 -2.126 29 H SER 5 H SER 5 14.602 -9.365 2.257 30 HA SER 5 HA SER 5 12.660 -11.428 1.694 31 1HB SER 5 1HB SER 5 14.555 -12.873 2.354 32 2HB SER 5 2HB SER 5 14.761 -11.945 3.850 33 HG SER 5 HG SER 5 12.632 -12.566 4.415 34 H THR 6 H THR 6 14.371 -9.716 4.372 35 HA THR 6 HA THR 6 12.020 -8.926 5.811 36 HB THR 6 HB THR 6 14.808 -7.696 5.675 37 HG1 THR 6 HG1 THR 6 15.070 -8.915 7.579 38 1HG2 THR 6 3HG2 THR 6 12.563 -7.341 7.714 39 2HG2 THR 6 1HG2 THR 6 14.230 -6.759 7.909 40 3HG2 THR 6 2HG2 THR 6 13.205 -6.082 6.634 41 H CYS 7 H CYS 7 14.051 -7.371 3.277 42 HA CYS 7 HA CYS 7 12.594 -4.953 3.029 43 1HB CYS 7 1HB CYS 7 14.830 -5.281 2.112 44 2HB CYS 7 2HB CYS 7 14.224 -6.514 0.998 45 H VAL 8 H VAL 8 12.240 -8.124 1.367 46 HA VAL 8 HA VAL 8 10.273 -7.315 -0.503 47 HB VAL 8 HB VAL 8 10.926 -10.050 0.666 48 1HG1 VAL 8 3HG2 VAL 8 9.263 -9.299 -1.777 49 2HG1 VAL 8 1HG2 VAL 8 9.852 -10.934 -1.410 50 3HG1 VAL 8 2HG2 VAL 8 8.696 -10.157 -0.325 51 1HG2 VAL 8 3HG1 VAL 8 12.819 -8.950 -0.533 52 2HG2 VAL 8 1HG1 VAL 8 12.200 -10.345 -1.424 53 3HG2 VAL 8 2HG1 VAL 8 11.768 -8.702 -1.941 54 H LEU 9 H LEU 9 9.911 -9.030 2.644 55 HA LEU 9 HA LEU 9 7.089 -9.094 2.724 56 1HB LEU 9 1HB LEU 9 9.199 -9.018 4.905 57 2HB LEU 9 2HB LEU 9 7.484 -9.268 5.243 58 HG LEU 9 HG LEU 9 9.040 -11.087 3.354 59 1HD1 LEU 9 1HD1 LEU 9 10.097 -11.126 5.593 60 2HD1 LEU 9 2HD1 LEU 9 8.515 -11.435 6.337 61 3HD1 LEU 9 3HD1 LEU 9 9.245 -12.642 5.255 62 1HD2 LEU 9 3HD2 LEU 9 6.413 -11.430 4.868 63 2HD2 LEU 9 1HD2 LEU 9 6.586 -11.223 3.113 64 3HD2 LEU 9 2HD2 LEU 9 7.214 -12.677 3.893 65 H GLY 10 H GLY 10 9.391 -6.628 3.971 66 1HA GLY 10 1HA GLY 10 7.558 -4.876 5.180 67 2HA GLY 10 2HA GLY 10 9.116 -4.427 4.465 68 H LYS 11 H LYS 11 8.792 -4.935 1.798 69 HA LYS 11 HA LYS 11 7.496 -2.622 0.887 70 1HB LYS 11 1HB LYS 11 9.384 -3.702 -0.202 71 2HB LYS 11 2HB LYS 11 8.393 -5.079 -0.690 72 1HG LYS 11 1HG LYS 11 7.611 -2.254 -1.497 73 2HG LYS 11 2HG LYS 11 8.929 -3.092 -2.326 74 1HD LYS 11 1HD LYS 11 7.441 -4.941 -2.961 75 2HD LYS 11 2HD LYS 11 6.085 -4.175 -2.125 76 1HE LYS 11 1HE LYS 11 5.891 -3.719 -4.469 77 2HE LYS 11 2HE LYS 11 6.246 -2.207 -3.614 78 1HZ LYS 11 3HZ LYS 11 8.193 -3.862 -5.066 79 2HZ LYS 11 1HZ LYS 11 7.521 -2.460 -5.615 80 3HZ LYS 11 2HZ LYS 11 8.520 -2.436 -4.305 81 H LEU 12 H LEU 12 6.457 -6.080 0.454 82 HA LEU 12 HA LEU 12 4.063 -5.319 -0.868 83 1HB LEU 12 1HB LEU 12 3.424 -7.614 -0.823 84 2HB LEU 12 2HB LEU 12 5.122 -7.415 -1.234 85 HG LEU 12 HG LEU 12 5.477 -7.896 1.372 86 1HD1 LEU 12 2HD1 LEU 12 3.017 -8.099 1.915 87 2HD1 LEU 12 3HD1 LEU 12 2.903 -9.422 0.745 88 3HD1 LEU 12 1HD1 LEU 12 3.902 -9.599 2.200 89 1HD2 LEU 12 3HD2 LEU 12 6.408 -9.211 -0.491 90 2HD2 LEU 12 1HD2 LEU 12 5.801 -10.271 0.791 91 3HD2 LEU 12 2HD2 LEU 12 4.852 -10.042 -0.694 92 H SER 13 H SER 13 4.735 -5.915 2.592 93 HA SER 13 HA SER 13 2.034 -5.947 3.478 94 1HB SER 13 1HB SER 13 4.591 -5.125 4.911 95 2HB SER 13 2HB SER 13 3.011 -5.348 5.688 96 HG SER 13 HG SER 13 4.469 -7.306 4.253 97 H GLN 14 H GLN 14 4.389 -3.236 3.109 98 HA GLN 14 HA GLN 14 2.551 -1.200 3.969 99 1HB GLN 14 1HB GLN 14 5.095 -1.146 2.302 100 2HB GLN 14 2HB GLN 14 4.191 0.313 2.726 101 1HG GLN 14 1HG GLN 14 5.332 -1.644 4.771 102 2HG GLN 14 2HG GLN 14 6.099 -0.140 4.253 103 1HE2 GLN 14 1HE2 GLN 14 3.114 -0.067 7.045 104 2HE2 GLN 14 2HE2 GLN 14 3.681 -1.558 6.323 105 H GLU 15 H GLU 15 3.395 -2.517 0.735 106 HA GLU 15 HA GLU 15 2.007 -0.676 -0.824 107 1HB GLU 15 1HB GLU 15 3.614 -2.324 -1.664 108 2HB GLU 15 2HB GLU 15 2.460 -3.635 -1.352 109 1HG GLU 15 1HG GLU 15 0.896 -2.680 -2.996 110 2HG GLU 15 2HG GLU 15 1.960 -1.281 -3.222 111 H LEU 16 H LEU 16 0.783 -3.872 0.375 112 HA LEU 16 HA LEU 16 -1.838 -3.439 -0.650 113 1HB LEU 16 1HB LEU 16 -2.500 -5.422 0.462 114 2HB LEU 16 2HB LEU 16 -0.916 -5.619 -0.277 115 HG LEU 16 HG LEU 16 -0.046 -5.040 2.178 116 1HD1 LEU 16 1HD1 LEU 16 -2.337 -4.665 3.175 117 2HD1 LEU 16 2HD1 LEU 16 -2.770 -6.318 2.720 118 3HD1 LEU 16 3HD1 LEU 16 -1.492 -6.026 3.915 119 1HD2 LEU 16 2HD2 LEU 16 0.391 -7.134 0.936 120 2HD2 LEU 16 3HD2 LEU 16 0.025 -7.461 2.637 121 3HD2 LEU 16 1HD2 LEU 16 -1.212 -7.741 1.393 122 H HIS 17 H HIS 17 -0.356 -2.625 2.505 123 HA HIS 17 HA HIS 17 -2.780 -2.040 3.863 124 1HB HIS 17 1HB HIS 17 -0.654 -2.455 4.981 125 2HB HIS 17 2HB HIS 17 0.032 -0.974 4.295 126 HD1 HIS 17 HD1 HIS 17 0.485 0.055 6.614 127 HD2 HIS 17 HD2 HIS 17 -3.546 -0.907 5.977 128 HE1 HIS 17 HE1 HIS 17 -0.856 1.114 8.495 129 H LYS 18 H LYS 18 -0.566 0.019 1.942 130 HA LYS 18 HA LYS 18 -1.732 2.534 2.378 131 1HB LYS 18 1HB LYS 18 -0.139 1.331 0.113 132 2HB LYS 18 2HB LYS 18 -0.736 2.990 0.033 133 1HG LYS 18 1HG LYS 18 0.354 3.501 2.208 134 2HG LYS 18 2HG LYS 18 1.075 1.901 2.235 135 1HD LYS 18 1HD LYS 18 1.519 4.032 0.091 136 2HD LYS 18 2HD LYS 18 2.614 3.668 1.433 137 1HE LYS 18 1HE LYS 18 2.882 1.340 0.561 138 2HE LYS 18 2HE LYS 18 1.882 1.776 -0.843 139 1HZ LYS 18 3HZ LYS 18 4.415 3.033 -0.093 140 2HZ LYS 18 1HZ LYS 18 4.189 1.951 -1.317 141 3HZ LYS 18 2HZ LYS 18 3.482 3.439 -1.391 142 H LEU 19 H LEU 19 -2.414 0.247 -0.324 143 HA LEU 19 HA LEU 19 -4.587 1.915 -1.255 144 1HB LEU 19 1HB LEU 19 -4.880 0.255 -2.992 145 2HB LEU 19 2HB LEU 19 -3.193 0.708 -2.779 146 HG LEU 19 HG LEU 19 -3.131 -1.482 -1.237 147 1HD1 LEU 19 3HD1 LEU 19 -5.332 -2.129 -3.252 148 2HD1 LEU 19 1HD1 LEU 19 -4.509 -3.288 -2.191 149 3HD1 LEU 19 2HD1 LEU 19 -5.560 -2.051 -1.497 150 1HD2 LEU 19 3HD2 LEU 19 -3.096 -1.528 -4.277 151 2HD2 LEU 19 1HD2 LEU 19 -1.739 -1.079 -3.221 152 3HD2 LEU 19 2HD2 LEU 19 -2.356 -2.739 -3.207 153 H GLN 20 H GLN 20 -4.418 -0.833 0.972 154 HA GLN 20 HA GLN 20 -7.144 -1.602 0.852 155 1HB GLN 20 1HB GLN 20 -5.497 -2.990 1.951 156 2HB GLN 20 2HB GLN 20 -5.131 -1.717 3.130 157 1HG GLN 20 1HG GLN 20 -6.531 -3.484 4.091 158 2HG GLN 20 2HG GLN 20 -7.370 -1.934 4.106 159 1HE2 GLN 20 1HE2 GLN 20 -8.617 -4.925 1.475 160 2HE2 GLN 20 2HE2 GLN 20 -6.944 -4.839 1.979 161 H THR 21 H THR 21 -5.449 0.877 2.840 162 HA THR 21 HA THR 21 -7.910 1.815 4.076 163 HB THR 21 HB THR 21 -6.447 3.641 4.920 164 HG1 THR 21 HG1 THR 21 -4.233 3.437 4.531 165 1HG2 THR 21 2HG2 THR 21 -6.722 1.555 6.202 166 2HG2 THR 21 3HG2 THR 21 -5.371 0.813 5.318 167 3HG2 THR 21 1HG2 THR 21 -5.079 2.201 6.382 168 H TYR 22 H TYR 22 -5.858 4.247 2.648 169 HA TYR 22 HA TYR 22 -7.093 4.768 0.251 170 1HB TYR 22 1HB TYR 22 -8.615 6.609 0.643 171 2HB TYR 22 2HB TYR 22 -9.251 5.109 1.242 172 HD1 TYR 22 HD2 TYR 22 -9.472 4.712 3.717 173 HD2 TYR 22 HD1 TYR 22 -8.159 8.492 2.102 174 HE1 TYR 22 HE2 TYR 22 -9.776 5.767 5.933 175 HE2 TYR 22 HE1 TYR 22 -8.526 9.556 4.306 176 HH TYR 22 HH TYR 22 -9.098 9.239 6.513 177 HA PRO 23 HA PRO 23 -4.953 8.804 1.782 178 1HB PRO 23 1HB PRO 23 -3.085 7.703 3.867 179 2HB PRO 23 2HB PRO 23 -3.882 9.300 3.805 180 1HG PRO 23 1HG PRO 23 -4.817 7.386 5.464 181 2HG PRO 23 2HG PRO 23 -5.969 8.338 4.484 182 1HD PRO 23 1HD PRO 23 -4.792 5.618 3.836 183 2HD PRO 23 2HD PRO 23 -6.507 6.077 3.913 184 H ARG 24 H ARG 24 -3.060 5.815 2.216 185 HA ARG 24 HA ARG 24 -1.287 4.909 1.254 186 1HB ARG 24 1HB ARG 24 -1.325 7.059 -0.902 187 2HB ARG 24 2HB ARG 24 -0.403 5.560 -0.901 188 1HG ARG 24 1HG ARG 24 -2.479 4.230 -0.897 189 2HG ARG 24 2HG ARG 24 -3.454 5.702 -0.857 190 1HD ARG 24 1HD ARG 24 -1.515 4.913 -3.067 191 2HD ARG 24 2HD ARG 24 -3.272 4.751 -3.144 192 HE ARG 24 HE ARG 24 -1.676 7.147 -3.525 193 1HH1 ARG 24 2HH2 ARG 24 -4.918 6.031 -2.542 194 2HH1 ARG 24 1HH2 ARG 24 -5.670 7.562 -2.919 195 1HH2 ARG 24 1HH1 ARG 24 -2.695 9.123 -3.986 196 2HH2 ARG 24 2HH1 ARG 24 -4.415 9.312 -3.734 197 H THR 25 H THR 25 -0.695 8.405 0.659 198 HA THR 25 HA THR 25 1.798 8.441 2.163 199 HB THR 25 HB THR 25 0.009 10.689 1.129 200 HG1 THR 25 HG1 THR 25 0.872 9.354 -0.495 201 1HG2 THR 25 3HG2 THR 25 2.901 10.702 2.114 202 2HG2 THR 25 1HG2 THR 25 2.072 12.064 1.331 203 3HG2 THR 25 2HG2 THR 25 1.520 11.487 2.912 204 H ASP 26 H ASP 26 1.876 8.502 4.339 205 HA ASP 26 HA ASP 26 1.256 8.413 6.492 206 1HB ASP 26 1HB ASP 26 -0.765 10.600 5.817 207 2HB ASP 26 2HB ASP 26 -0.241 10.110 7.426 208 H VAL 27 H VAL 27 0.596 6.290 5.595 209 HA VAL 27 HA VAL 27 -1.906 5.596 4.733 210 HB VAL 27 HB VAL 27 0.064 4.215 4.511 211 1HG1 VAL 27 3HG1 VAL 27 1.091 4.507 6.764 212 2HG1 VAL 27 1HG1 VAL 27 -0.188 3.493 7.464 213 3HG1 VAL 27 2HG1 VAL 27 0.944 2.810 6.289 214 1HG2 VAL 27 1HG2 VAL 27 -2.231 3.244 4.370 215 2HG2 VAL 27 2HG2 VAL 27 -0.977 2.062 4.794 216 3HG2 VAL 27 3HG2 VAL 27 -2.080 2.687 6.041 217 H GLY 28 H GLY 28 -3.844 5.030 5.572 218 1HA GLY 28 2HA GLY 28 -5.517 4.627 7.051 219 2HA GLY 28 1HA GLY 28 -4.321 4.299 8.314 220 H ALA 29 H ALA 29 -6.678 5.587 8.930 221 HA ALA 29 HA ALA 29 -6.446 8.461 8.998 222 1HB ALA 29 3HB ALA 29 -8.102 6.531 10.680 223 2HB ALA 29 1HB ALA 29 -8.284 8.299 10.641 224 3HB ALA 29 2HB ALA 29 -8.608 7.339 9.184 225 H GLY 30 H GLY 30 -6.124 5.950 11.568 226 1HA GLY 30 2HA GLY 30 -4.485 7.678 13.295 227 2HA GLY 30 1HA GLY 30 -5.007 6.012 13.587 228 H THR 31 H THR 31 -2.811 7.996 11.585 229 HA THR 31 HA THR 31 -1.424 5.898 10.381 230 HB THR 31 HB THR 31 -0.514 8.743 10.952 231 HG1 THR 31 HG1 THR 31 -1.365 9.070 8.863 232 1HG2 THR 31 3HG2 THR 31 0.433 6.777 8.814 233 2HG2 THR 31 1HG2 THR 31 0.918 8.477 8.969 234 3HG2 THR 31 2HG2 THR 31 1.388 7.315 10.215 235 HA PRO 32 HA PRO 32 0.940 4.614 13.983 236 1HB PRO 32 1HB PRO 32 2.547 2.700 12.877 237 2HB PRO 32 2HB PRO 32 0.791 2.487 13.126 238 1HG PRO 32 1HG PRO 32 2.200 3.302 10.576 239 2HG PRO 32 2HG PRO 32 0.937 2.058 10.788 240 1HD PRO 32 1HD PRO 32 0.370 4.586 9.939 241 2HD PRO 32 2HD PRO 32 -0.760 3.684 10.995 242 1HN NH2 33 1HN NH2 33 4.096 6.122 11.713 243 2HN NH2 33 2HN NH2 33 2.764 5.314 10.918 No H/Q in entry = 243
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