NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21195 | 2h9x | 7166 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 26.906 33.151 36.354 2 1HA GLY 1 2HA GLY 1 25.574 30.577 35.645 3 2HA GLY 1 3HA GLY 1 26.442 31.623 34.530 4 H VAL 2 H VAL 2 27.518 29.360 34.382 5 HA VAL 2 HA VAL 2 30.072 29.566 35.897 6 HB VAL 2 HB VAL 2 28.733 27.120 35.190 7 1HG1 VAL 2 1HG1 VAL 2 29.986 25.700 36.464 8 2HG1 VAL 2 2HG1 VAL 2 30.979 26.552 35.342 9 3HG1 VAL 2 3HG1 VAL 2 30.967 27.125 37.045 10 1HG2 VAL 2 1HG2 VAL 2 28.096 26.507 37.347 11 2HG2 VAL 2 2HG2 VAL 2 28.651 28.177 37.887 12 3HG2 VAL 2 3HG2 VAL 2 27.266 27.928 36.744 13 HA HYP 3 HA HYP 3 31.121 28.688 31.639 14 1HB HYP 3 3HB HYP 3 33.570 28.753 31.488 15 2HB HYP 3 2HB HYP 3 33.727 27.573 32.788 16 1HD HYP 3 3HD HYP 3 31.938 29.765 35.232 17 2HD HYP 3 2HD HYP 3 32.603 28.120 35.126 18 HOD HYP 3 HOD HYP 3 33.710 31.153 32.686 19 HG HYP 3 HG HYP 3 34.318 29.448 34.039 20 H CYS 4 H CYS 4 30.458 27.034 30.407 21 HA CYS 4 HA CYS 4 31.345 24.322 31.068 22 1HB CYS 4 2HB CYS 4 29.399 24.597 32.462 23 2HB CYS 4 3HB CYS 4 28.465 25.062 31.006 24 H ARG 5 H ARG 5 31.768 23.143 29.421 25 HA ARG 5 HA ARG 5 31.304 24.165 26.772 26 1HB ARG 5 2HB ARG 5 32.761 22.378 26.016 27 2HB ARG 5 3HB ARG 5 33.448 23.480 27.170 28 1HG ARG 5 2HG ARG 5 33.124 21.894 28.943 29 2HG ARG 5 3HG ARG 5 32.562 20.698 27.662 30 1HD ARG 5 2HD ARG 5 34.798 20.207 27.366 31 2HD ARG 5 3HD ARG 5 34.902 21.838 26.671 32 HE ARG 5 HE ARG 5 35.773 22.724 28.531 33 1HH1 ARG 5 1HH1 ARG 5 35.737 19.196 28.797 34 2HH1 ARG 5 2HH1 ARG 5 37.093 19.237 29.880 35 1HH2 ARG 5 1HH2 ARG 5 37.093 22.683 29.974 36 2HH2 ARG 5 2HH2 ARG 5 37.802 21.255 30.733 37 H CYS 6 H CYS 6 31.075 22.529 25.095 38 HA CYS 6 HA CYS 6 28.394 21.231 25.330 39 1HB CYS 6 2HB CYS 6 29.679 22.777 23.014 40 2HB CYS 6 3HB CYS 6 28.068 22.063 22.992 41 H ASP 7 H ASP 7 28.053 19.683 23.390 42 HA ASP 7 HA ASP 7 29.603 17.339 23.893 43 1HB ASP 7 2HB ASP 7 27.230 17.547 22.934 44 2HB ASP 7 3HB ASP 7 27.957 17.840 21.366 45 H SER 8 H SER 8 29.725 19.602 21.241 46 HA SER 8 HA SER 8 32.312 18.502 20.249 47 1HB SER 8 2HB SER 8 30.541 18.456 18.569 48 2HB SER 8 3HB SER 8 30.185 20.171 18.864 49 HG SER 8 HG SER 8 32.384 20.579 18.280 50 H ASP 9 H ASP 9 32.724 19.815 22.561 51 HA ASP 9 HA ASP 9 32.906 22.560 22.593 52 1HB ASP 9 2HB ASP 9 34.408 22.354 24.389 53 2HB ASP 9 3HB ASP 9 33.379 20.934 24.472 54 H GLY 10 H GLY 10 35.226 20.448 21.144 55 1HA GLY 10 2HA GLY 10 36.068 21.237 18.897 56 2HA GLY 10 3HA GLY 10 36.516 22.776 19.728 57 HA PRO 11 HA PRO 11 39.221 19.165 21.286 58 1HB PRO 11 2HB PRO 11 39.348 16.896 19.564 59 2HB PRO 11 3HB PRO 11 38.335 17.052 21.027 60 1HG PRO 11 2HG PRO 11 37.555 17.875 18.171 61 2HG PRO 11 3HG PRO 11 36.674 16.736 19.263 62 1HD PRO 11 2HD PRO 11 35.932 19.209 19.082 63 2HD PRO 11 3HD PRO 11 36.200 18.586 20.747 64 H SER 12 H SER 12 39.124 20.092 17.987 65 HA SER 12 HA SER 12 42.010 20.600 17.905 66 1HB SER 12 2HB SER 12 41.345 18.226 16.923 67 2HB SER 12 3HB SER 12 40.761 19.214 15.569 68 HG SER 12 HG SER 12 43.291 18.495 16.327 69 H VAL 13 H VAL 13 39.798 22.189 18.082 70 HA VAL 13 HA VAL 13 40.225 23.910 15.664 71 HB VAL 13 HB VAL 13 37.465 23.805 16.812 72 1HG1 VAL 13 1HG1 VAL 13 38.664 23.869 14.000 73 2HG1 VAL 13 2HG1 VAL 13 36.925 23.968 14.370 74 3HG1 VAL 13 3HG1 VAL 13 38.012 25.263 14.882 75 1HG2 VAL 13 1HG2 VAL 13 36.858 21.802 15.448 76 2HG2 VAL 13 2HG2 VAL 13 38.596 21.526 15.118 77 3HG2 VAL 13 3HG2 VAL 13 38.001 21.359 16.751 78 H HIS 14 H HIS 14 39.438 26.149 15.878 79 HA HIS 14 HA HIS 14 40.638 27.349 18.195 80 1HB HIS 14 2HB HIS 14 40.007 29.475 17.017 81 2HB HIS 14 3HB HIS 14 40.972 28.354 16.078 82 HD1 HIS 14 HD1 HIS 14 37.086 28.611 16.442 83 HD2 HIS 14 HD2 HIS 14 40.194 28.380 13.618 84 HE1 HIS 14 HE1 HIS 14 35.973 28.760 14.133 85 H GLY 15 H GLY 15 39.704 28.775 19.678 86 1HA GLY 15 2HA GLY 15 38.207 29.524 21.204 87 2HA GLY 15 3HA GLY 15 36.998 29.552 19.908 88 H ASN 16 H ASN 16 38.631 26.844 21.129 89 HA ASN 16 HA ASN 16 36.327 25.233 21.714 90 1HB ASN 16 2HB ASN 16 38.098 23.520 22.364 91 2HB ASN 16 3HB ASN 16 38.351 24.252 20.774 92 1HD2 ASN 16 1HD2 ASN 16 40.456 24.748 20.396 93 2HD2 ASN 16 2HD2 ASN 16 41.579 25.224 21.691 94 H THR 17 H THR 17 37.831 27.371 23.628 95 HA THR 17 HA THR 17 37.682 26.336 26.287 96 HB THR 17 HB THR 17 39.014 28.273 25.594 97 HG1 THR 17 HG1 THR 17 38.584 29.464 27.431 98 1HG2 THR 17 1HG2 THR 17 37.224 29.193 24.103 99 2HG2 THR 17 2HG2 THR 17 37.891 30.409 25.239 100 3HG2 THR 17 3HG2 THR 17 36.311 29.633 25.538 101 H LEU 18 H LEU 18 36.308 27.357 27.971 102 HA LEU 18 HA LEU 18 33.616 26.596 27.663 103 1HB LEU 18 2HB LEU 18 35.010 27.898 29.928 104 2HB LEU 18 3HB LEU 18 33.342 27.180 29.969 105 HG LEU 18 HG LEU 18 35.748 25.562 29.115 106 1HD1 LEU 18 1HD1 LEU 18 34.472 25.817 31.796 107 2HD1 LEU 18 2HD1 LEU 18 35.997 26.613 31.332 108 3HD1 LEU 18 3HD1 LEU 18 35.897 24.820 31.388 109 1HD2 LEU 18 1HD2 LEU 18 33.025 25.008 30.293 110 2HD2 LEU 18 2HD2 LEU 18 34.139 23.712 29.684 111 3HD2 LEU 18 3HD2 LEU 18 33.443 24.874 28.575 112 H SER 19 H SER 19 33.466 28.075 25.714 113 HA SER 19 HA SER 19 32.573 30.842 26.175 114 1HB SER 19 2HB SER 19 33.696 30.001 24.047 115 2HB SER 19 3HB SER 19 32.190 29.143 23.641 116 HG SER 19 HG SER 19 31.130 31.182 23.885 117 H GLY 20 H GLY 20 31.274 27.789 26.589 118 1HA GLY 20 2HA GLY 20 28.426 28.378 26.162 119 2HA GLY 20 3HA GLY 20 29.114 26.779 26.499 120 H THR 21 H THR 21 27.001 27.726 28.127 121 HA THR 21 HA THR 21 28.421 28.212 30.724 122 HB THR 21 HB THR 21 25.928 29.631 29.704 123 HG1 THR 21 HG1 THR 21 27.444 31.470 29.733 124 1HG2 THR 21 1HG2 THR 21 27.659 30.333 32.048 125 2HG2 THR 21 2HG2 THR 21 25.989 29.683 32.104 126 3HG2 THR 21 3HG2 THR 21 26.303 31.309 31.407 127 H VAL 22 H VAL 22 27.422 27.311 32.533 128 HA VAL 22 HA VAL 22 25.069 25.682 32.139 129 HB VAL 22 HB VAL 22 26.727 24.366 32.883 130 1HG1 VAL 22 1HG1 VAL 22 27.793 24.554 35.022 131 2HG1 VAL 22 2HG1 VAL 22 28.254 25.788 33.761 132 3HG1 VAL 22 3HG1 VAL 22 27.013 26.139 35.083 133 1HG2 VAL 22 1HG2 VAL 22 25.539 23.397 34.553 134 2HG2 VAL 22 2HG2 VAL 22 25.027 24.942 35.380 135 3HG2 VAL 22 3HG2 VAL 22 24.256 24.336 33.901 136 H TRP 23 H TRP 23 23.506 25.908 33.148 137 HA TRP 23 HA TRP 23 22.792 28.195 34.902 138 1HB TRP 23 2HB TRP 23 20.938 27.087 32.751 139 2HB TRP 23 3HB TRP 23 20.834 28.639 33.560 140 HD1 TRP 23 HD1 TRP 23 22.517 26.815 30.729 141 HE1 TRP 23 HE1 TRP 23 23.785 28.467 29.191 142 HE3 TRP 23 HE3 TRP 23 22.025 31.059 33.488 143 HZ2 TRP 23 HZ2 TRP 23 24.211 31.233 29.078 144 HZ3 TRP 23 HZ3 TRP 23 22.762 33.288 32.583 145 HH2 TRP 23 HH2 TRP 23 23.820 33.374 30.298 146 H VAL 24 H VAL 24 22.145 27.344 36.656 147 HA VAL 24 HA VAL 24 21.647 24.465 36.660 148 HB VAL 24 HB VAL 24 21.954 24.369 38.792 149 1HG1 VAL 24 1HG1 VAL 24 23.800 26.670 38.085 150 2HG1 VAL 24 2HG1 VAL 24 24.128 25.161 39.035 151 3HG1 VAL 24 3HG1 VAL 24 23.904 25.134 37.220 152 1HG2 VAL 24 1HG2 VAL 24 21.357 27.283 39.119 153 2HG2 VAL 24 2HG2 VAL 24 20.281 25.913 39.547 154 3HG2 VAL 24 3HG2 VAL 24 21.816 26.176 40.443 155 H GLY 25 H GLY 25 19.799 23.673 37.903 156 1HA GLY 25 2HA GLY 25 17.484 23.751 38.336 157 2HA GLY 25 3HA GLY 25 17.497 25.467 37.962 158 H SER 26 H SER 26 18.257 25.719 35.422 159 HA SER 26 HA SER 26 17.972 23.925 33.368 160 1HB SER 26 2HB SER 26 15.519 23.952 33.994 161 2HB SER 26 3HB SER 26 15.489 25.660 33.494 162 HG SER 26 HG SER 26 16.294 23.395 31.911 163 H CYS 27 H CYS 27 17.711 25.155 31.196 164 HA CYS 27 HA CYS 27 19.835 27.027 30.784 165 1HB CYS 27 2HB CYS 27 18.525 25.330 29.240 166 2HB CYS 27 3HB CYS 27 17.496 26.708 28.908 167 H ALA 28 H ALA 28 19.676 28.860 29.389 168 HA ALA 28 HA ALA 28 18.211 31.063 30.675 169 1HB ALA 28 1HB ALA 28 20.562 31.217 30.523 170 2HB ALA 28 2HB ALA 28 20.592 30.852 28.807 171 3HB ALA 28 3HB ALA 28 19.904 32.405 29.381 172 H SER 29 H SER 29 16.802 32.280 29.663 173 HA SER 29 HA SER 29 14.891 31.591 27.973 174 1HB SER 29 2HB SER 29 15.862 34.443 28.251 175 2HB SER 29 3HB SER 29 14.187 33.871 28.089 176 HG SER 29 HG SER 29 14.774 32.615 30.119 177 H GLY 30 H GLY 30 17.871 32.406 26.583 178 1HA GLY 30 2HA GLY 30 16.618 32.724 23.852 179 2HA GLY 30 3HA GLY 30 17.949 33.757 24.396 180 H TRP 31 H TRP 31 18.451 30.735 25.672 181 HA TRP 31 HA TRP 31 20.485 30.132 23.563 182 1HB TRP 31 2HB TRP 31 20.424 29.127 26.388 183 2HB TRP 31 3HB TRP 31 21.689 28.946 25.246 184 HD1 TRP 31 HD1 TRP 31 20.181 32.423 26.252 185 HE1 TRP 31 HE1 TRP 31 22.156 33.898 26.899 186 HE3 TRP 31 HE3 TRP 31 23.853 28.957 26.201 187 HZ2 TRP 31 HZ2 TRP 31 24.937 33.638 27.226 188 HZ3 TRP 31 HZ3 TRP 31 26.173 29.530 26.925 189 HH2 TRP 31 HH2 TRP 31 26.771 31.855 27.358 190 H HIS 32 H HIS 32 21.093 27.635 23.760 191 HA HIS 32 HA HIS 32 18.744 25.894 24.257 192 1HB HIS 32 2HB HIS 32 19.921 25.736 21.480 193 2HB HIS 32 3HB HIS 32 18.489 24.944 22.093 194 HD1 HIS 32 HD1 HIS 32 16.199 26.332 21.722 195 HD2 HIS 32 HD2 HIS 32 19.790 28.420 21.051 196 HE1 HIS 32 HE1 HIS 32 15.556 28.512 20.584 197 H LYS 33 H LYS 33 19.281 23.575 23.723 198 HA LYS 33 HA LYS 33 21.621 22.764 25.178 199 1HB LYS 33 2HB LYS 33 19.320 21.386 23.979 200 2HB LYS 33 3HB LYS 33 20.837 20.477 23.800 201 1HG LYS 33 2HG LYS 33 19.991 19.860 25.950 202 2HG LYS 33 3HG LYS 33 21.384 20.904 26.232 203 1HD LYS 33 2HD LYS 33 19.786 22.892 26.381 204 2HD LYS 33 3HD LYS 33 18.425 21.736 26.181 205 1HE LYS 33 2HE LYS 33 18.603 21.607 28.480 206 2HE LYS 33 3HE LYS 33 19.841 20.425 27.934 207 1HZ LYS 33 1HZ LYS 33 21.474 22.344 28.105 208 2HZ LYS 33 2HZ LYS 33 20.809 21.854 29.550 209 3HZ LYS 33 3HZ LYS 33 20.224 23.180 28.879 210 H CYS 34 H CYS 34 23.596 22.719 24.578 211 HA CYS 34 HA CYS 34 24.337 22.422 21.728 212 1HB CYS 34 2HB CYS 34 26.445 23.232 22.433 213 2HB CYS 34 3HB CYS 34 25.169 24.263 23.031 214 H ASN 35 H ASN 35 23.481 20.279 24.138 215 HA ASN 35 HA ASN 35 25.041 18.139 23.001 216 1HB ASN 35 2HB ASN 35 26.012 17.453 25.136 217 2HB ASN 35 3HB ASN 35 26.682 18.979 24.628 218 1HD2 ASN 35 1HD2 ASN 35 26.323 17.687 27.284 219 2HD2 ASN 35 2HD2 ASN 35 24.979 18.583 27.941 220 H ASP 36 H ASP 36 24.387 16.004 24.038 221 HA ASP 36 HA ASP 36 21.515 15.939 24.245 222 1HB ASP 36 2HB ASP 36 23.245 14.267 23.166 223 2HB ASP 36 3HB ASP 36 23.272 13.570 24.804 224 H GLU 37 H GLU 37 24.102 15.690 26.457 225 HA GLU 37 HA GLU 37 22.366 15.119 28.788 226 1HB GLU 37 2HB GLU 37 24.361 14.737 30.011 227 2HB GLU 37 3HB GLU 37 24.335 13.726 28.546 228 1HG GLU 37 2HG GLU 37 25.811 15.280 27.389 229 2HG GLU 37 3HG GLU 37 25.773 16.355 28.779 230 H TYR 38 H TYR 38 23.390 16.603 30.849 231 HA TYR 38 HA TYR 38 23.659 19.436 29.888 232 1HB TYR 38 2HB TYR 38 21.969 19.120 32.148 233 2HB TYR 38 3HB TYR 38 21.838 20.098 30.611 234 HD1 TYR 38 HD1 TYR 38 20.922 19.202 28.702 235 HD2 TYR 38 HD2 TYR 38 20.924 17.049 32.374 236 HE1 TYR 38 HE1 TYR 38 19.682 17.312 27.566 237 HE2 TYR 38 HE2 TYR 38 19.771 15.119 31.290 238 HH TYR 38 HH TYR 38 19.613 14.997 27.820 239 H ASN 39 H ASN 39 23.168 17.614 32.905 240 HA ASN 39 HA ASN 39 25.705 17.731 33.933 241 1HB ASN 39 2HB ASN 39 24.728 20.376 33.900 242 2HB ASN 39 3HB ASN 39 24.457 19.807 35.539 243 1HD2 ASN 39 1HD2 ASN 39 26.725 20.992 33.415 244 2HD2 ASN 39 2HD2 ASN 39 28.167 20.689 34.407 245 H ILE 40 H ILE 40 25.907 17.658 36.277 246 HA ILE 40 HA ILE 40 24.920 15.559 37.536 247 HB ILE 40 HB ILE 40 26.859 16.991 38.018 248 1HG1 ILE 40 2HG1 ILE 40 26.879 16.992 40.407 249 2HG1 ILE 40 3HG1 ILE 40 25.113 16.898 40.525 250 1HG2 ILE 40 1HG2 ILE 40 24.961 18.837 39.441 251 2HG2 ILE 40 2HG2 ILE 40 26.715 19.087 39.152 252 3HG2 ILE 40 3HG2 ILE 40 25.596 19.131 37.772 253 1HD1 ILE 40 1HD1 ILE 40 25.043 14.711 39.556 254 2HD1 ILE 40 2HD1 ILE 40 26.731 14.816 39.026 255 3HD1 ILE 40 3HD1 ILE 40 26.327 14.642 40.786 256 H ALA 41 H ALA 41 23.807 18.641 37.647 257 HA ALA 41 HA ALA 41 21.176 18.183 38.951 258 1HB ALA 41 1HB ALA 41 21.631 20.319 40.226 259 2HB ALA 41 2HB ALA 41 22.702 18.995 40.688 260 3HB ALA 41 3HB ALA 41 23.294 20.258 39.585 261 H TYR 42 H TYR 42 23.264 20.455 37.468 262 HA TYR 42 HA TYR 42 21.593 22.507 36.499 263 1HB TYR 42 2HB TYR 42 24.274 22.011 35.455 264 2HB TYR 42 3HB TYR 42 23.440 23.461 35.946 265 HD1 TYR 42 HD1 TYR 42 22.750 22.487 38.809 266 HD2 TYR 42 HD2 TYR 42 26.218 22.947 36.362 267 HE1 TYR 42 HE1 TYR 42 23.972 22.949 40.712 268 HE2 TYR 42 HE2 TYR 42 27.627 23.170 38.372 269 HH TYR 42 HH TYR 42 26.226 22.714 41.671 270 H GLU 43 H GLU 43 22.544 23.278 34.267 271 HA GLU 43 HA GLU 43 22.537 21.238 32.173 272 1HB GLU 43 2HB GLU 43 20.483 23.333 32.530 273 2HB GLU 43 3HB GLU 43 21.007 23.107 30.957 274 1HG GLU 43 2HG GLU 43 19.931 20.857 30.912 275 2HG GLU 43 3HG GLU 43 19.518 21.016 32.648 276 H CYS 44 H CYS 44 23.873 21.631 30.707 277 HA CYS 44 HA CYS 44 25.094 24.326 30.356 278 1HB CYS 44 2HB CYS 44 25.876 21.597 29.321 279 2HB CYS 44 3HB CYS 44 26.792 23.092 29.052 280 H CYS 45 H CYS 45 24.991 25.559 28.595 281 HA CYS 45 HA CYS 45 23.565 24.758 26.146 282 1HB CYS 45 2HB CYS 45 22.709 27.204 27.781 283 2HB CYS 45 3HB CYS 45 22.174 26.799 26.149 284 H LYS 46 H LYS 46 23.682 26.598 24.611 285 HA LYS 46 HA LYS 46 26.085 28.328 24.953 286 1HB LYS 46 2HB LYS 46 27.353 27.495 23.469 287 2HB LYS 46 3HB LYS 46 26.425 26.023 23.809 288 1HG LYS 46 2HG LYS 46 26.111 27.868 21.524 289 2HG LYS 46 3HG LYS 46 26.722 26.147 21.584 290 1HD LYS 46 2HD LYS 46 24.741 25.400 21.193 291 2HD LYS 46 3HD LYS 46 24.308 26.112 22.782 292 1HE LYS 46 2HE LYS 46 24.090 28.299 21.448 293 2HE LYS 46 3HE LYS 46 23.726 27.223 20.069 294 1HZ LYS 46 1HZ LYS 46 22.048 26.128 21.464 295 2HZ LYS 46 2HZ LYS 46 21.710 27.766 21.407 296 3HZ LYS 46 3HZ LYS 46 22.407 27.105 22.770 297 H GLN 47 H GLN 47 26.379 29.883 23.337 298 HA GLN 47 HA GLN 47 24.142 30.840 21.711 299 1HB GLN 47 2HB GLN 47 24.510 31.878 24.403 300 2HB GLN 47 3HB GLN 47 24.861 33.150 23.237 301 1HG GLN 47 2HG GLN 47 22.817 32.587 22.056 302 2HG GLN 47 3HG GLN 47 22.353 31.493 23.356 303 1HE2 GLN 47 1HE2 GLN 47 20.415 33.078 23.216 304 2HE2 GLN 47 2HE2 GLN 47 20.614 34.394 24.382 Start of MODEL 2 1 1H GLY 1 H GLY 1 25.770 32.228 37.173 2 1HA GLY 1 2HA GLY 1 25.404 30.285 34.959 3 2HA GLY 1 3HA GLY 1 25.971 31.947 34.763 4 H VAL 2 H VAL 2 27.279 29.278 34.277 5 HA VAL 2 HA VAL 2 29.844 29.803 35.785 6 HB VAL 2 HB VAL 2 28.612 27.265 35.177 7 1HG1 VAL 2 1HG1 VAL 2 30.855 26.723 35.376 8 2HG1 VAL 2 2HG1 VAL 2 30.890 27.469 37.013 9 3HG1 VAL 2 3HG1 VAL 2 29.926 25.982 36.610 10 1HG2 VAL 2 1HG2 VAL 2 27.098 28.010 36.621 11 2HG2 VAL 2 2HG2 VAL 2 28.025 26.736 37.366 12 3HG2 VAL 2 3HG2 VAL 2 28.429 28.484 37.774 13 HA HYP 3 HA HYP 3 31.286 28.650 31.693 14 1HB HYP 3 3HB HYP 3 33.766 28.550 31.728 15 2HB HYP 3 2HB HYP 3 33.721 27.518 33.158 16 1HD HYP 3 3HD HYP 3 31.804 30.102 35.130 17 2HD HYP 3 2HD HYP 3 32.386 28.444 35.380 18 HOD HYP 3 HOD HYP 3 32.437 30.780 32.671 19 HG HYP 3 HG HYP 3 34.316 29.421 34.302 20 H CYS 4 H CYS 4 30.622 27.029 30.550 21 HA CYS 4 HA CYS 4 31.434 24.315 31.182 22 1HB CYS 4 2HB CYS 4 29.487 24.619 32.590 23 2HB CYS 4 3HB CYS 4 28.568 25.080 31.116 24 H ARG 5 H ARG 5 31.840 23.270 29.461 25 HA ARG 5 HA ARG 5 31.373 24.466 26.902 26 1HB ARG 5 2HB ARG 5 32.685 22.649 25.972 27 2HB ARG 5 3HB ARG 5 33.453 23.646 27.129 28 1HG ARG 5 2HG ARG 5 33.147 21.971 28.823 29 2HG ARG 5 3HG ARG 5 32.396 20.901 27.529 30 1HD ARG 5 2HD ARG 5 34.492 20.261 26.921 31 2HD ARG 5 3HD ARG 5 34.820 21.966 26.509 32 HE ARG 5 HE ARG 5 35.244 21.530 29.268 33 1HH1 ARG 5 1HH1 ARG 5 36.761 20.677 26.153 34 2HH1 ARG 5 2HH1 ARG 5 38.349 20.681 26.924 35 1HH2 ARG 5 1HH2 ARG 5 37.065 22.076 29.800 36 2HH2 ARG 5 2HH2 ARG 5 38.598 21.649 29.033 37 H CYS 6 H CYS 6 31.127 22.534 25.240 38 HA CYS 6 HA CYS 6 28.359 21.391 25.519 39 1HB CYS 6 2HB CYS 6 29.560 22.990 23.199 40 2HB CYS 6 3HB CYS 6 27.957 22.261 23.177 41 H ASP 7 H ASP 7 27.972 20.034 23.375 42 HA ASP 7 HA ASP 7 29.387 17.535 23.650 43 1HB ASP 7 2HB ASP 7 27.167 17.506 22.771 44 2HB ASP 7 3HB ASP 7 27.544 18.737 21.553 45 H SER 8 H SER 8 29.350 19.675 20.920 46 HA SER 8 HA SER 8 31.988 18.912 19.910 47 1HB SER 8 2HB SER 8 30.049 19.083 18.427 48 2HB SER 8 3HB SER 8 29.785 20.770 18.881 49 HG SER 8 HG SER 8 31.902 21.200 18.057 50 H ASP 9 H ASP 9 32.471 20.088 22.394 51 HA ASP 9 HA ASP 9 32.795 22.869 22.378 52 1HB ASP 9 2HB ASP 9 34.175 22.502 24.401 53 2HB ASP 9 3HB ASP 9 32.803 21.386 24.320 54 H GLY 10 H GLY 10 34.533 20.655 20.610 55 1HA GLY 10 2HA GLY 10 36.291 20.787 19.162 56 2HA GLY 10 3HA GLY 10 36.056 22.583 19.240 57 HA PRO 11 HA PRO 11 39.414 21.324 22.348 58 1HB PRO 11 2HB PRO 11 40.127 18.593 22.461 59 2HB PRO 11 3HB PRO 11 38.847 19.339 23.476 60 1HG PRO 11 2HG PRO 11 38.437 18.127 20.677 61 2HG PRO 11 3HG PRO 11 37.640 17.592 22.227 62 1HD PRO 11 2HD PRO 11 36.441 19.227 20.643 63 2HD PRO 11 3HD PRO 11 36.582 19.740 22.359 64 H SER 12 H SER 12 39.251 20.651 19.157 65 HA SER 12 HA SER 12 42.185 20.693 18.680 66 1HB SER 12 2HB SER 12 40.279 18.908 17.152 67 2HB SER 12 3HB SER 12 42.038 18.975 17.001 68 HG SER 12 HG SER 12 41.870 18.455 19.427 69 H VAL 13 H VAL 13 39.659 22.476 18.327 70 HA VAL 13 HA VAL 13 40.633 23.622 15.763 71 HB VAL 13 HB VAL 13 38.337 23.840 14.903 72 1HG1 VAL 13 1HG1 VAL 13 38.197 21.541 14.185 73 2HG1 VAL 13 2HG1 VAL 13 39.918 21.978 14.397 74 3HG1 VAL 13 3HG1 VAL 13 39.129 20.980 15.609 75 1HG2 VAL 13 1HG2 VAL 13 37.565 22.029 17.233 76 2HG2 VAL 13 2HG2 VAL 13 37.076 23.735 17.062 77 3HG2 VAL 13 3HG2 VAL 13 36.512 22.541 15.888 78 H HIS 14 H HIS 14 38.625 25.594 15.536 79 HA HIS 14 HA HIS 14 39.749 27.681 17.056 80 1HB HIS 14 2HB HIS 14 37.887 29.000 15.996 81 2HB HIS 14 3HB HIS 14 38.888 28.076 14.875 82 HD1 HIS 14 HD1 HIS 14 35.421 27.657 16.604 83 HD2 HIS 14 HD2 HIS 14 37.648 26.333 13.283 84 HE1 HIS 14 HE1 HIS 14 33.813 26.359 15.119 85 H GLY 15 H GLY 15 39.137 28.763 18.852 86 1HA GLY 15 2HA GLY 15 38.178 29.299 20.809 87 2HA GLY 15 3HA GLY 15 36.598 28.908 20.071 88 H ASN 16 H ASN 16 39.033 26.705 20.582 89 HA ASN 16 HA ASN 16 37.962 24.501 21.850 90 1HB ASN 16 2HB ASN 16 40.363 23.905 22.200 91 2HB ASN 16 3HB ASN 16 40.005 24.591 20.624 92 1HD2 ASN 16 1HD2 ASN 16 41.311 25.462 23.802 93 2HD2 ASN 16 2HD2 ASN 16 42.352 26.771 23.175 94 H THR 17 H THR 17 36.934 26.230 23.392 95 HA THR 17 HA THR 17 37.765 25.622 26.242 96 HB THR 17 HB THR 17 37.476 27.983 26.858 97 HG1 THR 17 HG1 THR 17 36.836 28.310 24.120 98 1HG2 THR 17 1HG2 THR 17 39.259 27.993 24.415 99 2HG2 THR 17 2HG2 THR 17 39.719 27.391 26.035 100 3HG2 THR 17 3HG2 THR 17 39.288 29.099 25.801 101 H LEU 18 H LEU 18 36.132 26.946 27.656 102 HA LEU 18 HA LEU 18 33.569 25.697 27.652 103 1HB LEU 18 2HB LEU 18 34.846 27.783 29.349 104 2HB LEU 18 3HB LEU 18 33.274 26.982 29.687 105 HG LEU 18 HG LEU 18 35.860 25.420 29.268 106 1HD1 LEU 18 1HD1 LEU 18 34.376 26.107 31.739 107 2HD1 LEU 18 2HD1 LEU 18 35.773 27.060 31.172 108 3HD1 LEU 18 3HD1 LEU 18 35.978 25.333 31.645 109 1HD2 LEU 18 1HD2 LEU 18 34.401 23.729 30.569 110 2HD2 LEU 18 2HD2 LEU 18 33.884 24.078 28.934 111 3HD2 LEU 18 3HD2 LEU 18 33.092 24.917 30.329 112 H SER 19 H SER 19 33.580 26.852 25.230 113 HA SER 19 HA SER 19 32.370 29.493 25.030 114 1HB SER 19 2HB SER 19 33.790 28.568 23.254 115 2HB SER 19 3HB SER 19 32.661 27.237 22.991 116 HG SER 19 HG SER 19 31.051 28.789 22.522 117 H GLY 20 H GLY 20 30.923 28.422 26.837 118 1HA GLY 20 2HA GLY 20 28.202 28.337 26.027 119 2HA GLY 20 3HA GLY 20 28.783 26.717 26.538 120 H THR 21 H THR 21 27.018 27.386 28.254 121 HA THR 21 HA THR 21 28.456 28.297 30.675 122 HB THR 21 HB THR 21 25.955 29.719 29.663 123 HG1 THR 21 HG1 THR 21 28.595 30.167 29.220 124 1HG2 THR 21 1HG2 THR 21 26.366 31.346 31.398 125 2HG2 THR 21 2HG2 THR 21 27.694 30.341 32.043 126 3HG2 THR 21 3HG2 THR 21 26.023 29.721 32.080 127 H VAL 22 H VAL 22 27.544 27.268 32.537 128 HA VAL 22 HA VAL 22 25.202 25.667 32.034 129 HB VAL 22 HB VAL 22 26.874 24.383 32.822 130 1HG1 VAL 22 1HG1 VAL 22 28.307 25.821 33.836 131 2HG1 VAL 22 2HG1 VAL 22 26.988 26.092 35.111 132 3HG1 VAL 22 3HG1 VAL 22 27.812 24.538 35.026 133 1HG2 VAL 22 1HG2 VAL 22 24.981 24.832 35.172 134 2HG2 VAL 22 2HG2 VAL 22 24.389 24.232 33.573 135 3HG2 VAL 22 3HG2 VAL 22 25.585 23.309 34.368 136 H TRP 23 H TRP 23 23.596 25.849 32.965 137 HA TRP 23 HA TRP 23 22.794 28.068 34.763 138 1HB TRP 23 2HB TRP 23 20.999 26.881 32.621 139 2HB TRP 23 3HB TRP 23 20.804 28.420 33.499 140 HD1 TRP 23 HD1 TRP 23 22.464 26.833 30.508 141 HE1 TRP 23 HE1 TRP 23 23.723 28.632 29.108 142 HE3 TRP 23 HE3 TRP 23 22.094 30.815 33.668 143 HZ2 TRP 23 HZ2 TRP 23 24.210 31.385 29.265 144 HZ3 TRP 23 HZ3 TRP 23 22.833 33.099 32.961 145 HH2 TRP 23 HH2 TRP 23 23.841 33.379 30.649 146 H VAL 24 H VAL 24 22.101 27.303 36.462 147 HA VAL 24 HA VAL 24 21.756 24.392 36.755 148 HB VAL 24 HB VAL 24 22.262 26.644 38.636 149 1HG1 VAL 24 1HG1 VAL 24 22.305 24.944 40.433 150 2HG1 VAL 24 2HG1 VAL 24 20.687 25.214 39.681 151 3HG1 VAL 24 3HG1 VAL 24 21.598 23.801 39.275 152 1HG2 VAL 24 1HG2 VAL 24 24.126 26.533 37.565 153 2HG2 VAL 24 2HG2 VAL 24 24.480 25.275 38.781 154 3HG2 VAL 24 3HG2 VAL 24 24.032 24.906 37.060 155 H GLY 25 H GLY 25 19.913 23.468 37.499 156 1HA GLY 25 2HA GLY 25 17.674 23.431 38.154 157 2HA GLY 25 3HA GLY 25 17.714 25.204 38.209 158 H SER 26 H SER 26 18.292 25.951 35.636 159 HA SER 26 HA SER 26 17.316 24.301 33.462 160 1HB SER 26 2HB SER 26 15.376 25.504 32.889 161 2HB SER 26 3HB SER 26 15.241 25.246 34.650 162 HG SER 26 HG SER 26 16.182 27.624 33.369 163 H CYS 27 H CYS 27 17.694 25.170 31.385 164 HA CYS 27 HA CYS 27 19.816 26.996 30.843 165 1HB CYS 27 2HB CYS 27 18.585 25.209 29.358 166 2HB CYS 27 3HB CYS 27 17.463 26.546 29.017 167 H ALA 28 H ALA 28 19.987 28.965 30.045 168 HA ALA 28 HA ALA 28 18.291 31.035 31.011 169 1HB ALA 28 1HB ALA 28 19.964 32.387 29.542 170 2HB ALA 28 2HB ALA 28 20.594 31.365 30.844 171 3HB ALA 28 3HB ALA 28 20.684 30.785 29.186 172 H SER 29 H SER 29 16.756 32.155 29.987 173 HA SER 29 HA SER 29 14.838 31.450 28.437 174 1HB SER 29 2HB SER 29 14.570 33.850 27.700 175 2HB SER 29 3HB SER 29 14.851 33.585 29.459 176 HG SER 29 HG SER 29 16.092 35.272 28.691 177 H GLY 30 H GLY 30 17.215 33.368 26.784 178 1HA GLY 30 2HA GLY 30 16.302 32.531 24.081 179 2HA GLY 30 3HA GLY 30 17.514 33.771 24.478 180 H TRP 31 H TRP 31 18.245 30.806 25.957 181 HA TRP 31 HA TRP 31 20.377 30.317 23.892 182 1HB TRP 31 2HB TRP 31 20.245 29.238 26.694 183 2HB TRP 31 3HB TRP 31 21.536 29.105 25.579 184 HD1 TRP 31 HD1 TRP 31 19.930 32.498 26.769 185 HE1 TRP 31 HE1 TRP 31 21.921 34.043 27.329 186 HE3 TRP 31 HE3 TRP 31 23.705 29.186 26.281 187 HZ2 TRP 31 HZ2 TRP 31 24.785 33.838 27.437 188 HZ3 TRP 31 HZ3 TRP 31 26.052 29.770 26.979 189 HH2 TRP 31 HH2 TRP 31 26.617 32.081 27.442 190 H HIS 32 H HIS 32 21.020 27.795 24.013 191 HA HIS 32 HA HIS 32 18.650 26.071 24.202 192 1HB HIS 32 2HB HIS 32 20.113 25.935 21.551 193 2HB HIS 32 3HB HIS 32 18.627 25.155 22.023 194 HD1 HIS 32 HD1 HIS 32 16.753 26.122 20.403 195 HD2 HIS 32 HD2 HIS 32 19.665 28.908 21.670 196 HE1 HIS 32 HE1 HIS 32 16.201 28.296 19.287 197 H LYS 33 H LYS 33 19.220 23.834 23.909 198 HA LYS 33 HA LYS 33 21.616 23.034 25.269 199 1HB LYS 33 2HB LYS 33 19.258 21.674 24.171 200 2HB LYS 33 3HB LYS 33 20.753 20.750 23.888 201 1HG LYS 33 2HG LYS 33 19.940 20.082 25.950 202 2HG LYS 33 3HG LYS 33 21.364 21.095 26.283 203 1HD LYS 33 2HD LYS 33 19.892 23.078 26.600 204 2HD LYS 33 3HD LYS 33 18.440 22.071 26.304 205 1HE LYS 33 2HE LYS 33 20.600 21.586 28.305 206 2HE LYS 33 3HE LYS 33 19.034 22.387 28.707 207 1HZ LYS 33 1HZ LYS 33 19.463 19.630 27.726 208 2HZ LYS 33 2HZ LYS 33 17.951 20.319 27.912 209 3HZ LYS 33 3HZ LYS 33 18.865 20.080 29.231 210 H CYS 34 H CYS 34 23.568 22.870 24.657 211 HA CYS 34 HA CYS 34 24.213 22.638 21.798 212 1HB CYS 34 2HB CYS 34 26.363 23.443 22.514 213 2HB CYS 34 3HB CYS 34 25.075 24.475 23.092 214 H ASN 35 H ASN 35 23.310 20.360 24.136 215 HA ASN 35 HA ASN 35 24.993 18.345 22.917 216 1HB ASN 35 2HB ASN 35 25.951 17.616 25.096 217 2HB ASN 35 3HB ASN 35 26.560 19.187 24.593 218 1HD2 ASN 35 1HD2 ASN 35 26.439 18.016 27.428 219 2HD2 ASN 35 2HD2 ASN 35 24.863 18.641 27.838 220 H ASP 36 H ASP 36 24.507 16.174 23.933 221 HA ASP 36 HA ASP 36 21.640 15.782 24.017 222 1HB ASP 36 2HB ASP 36 23.449 14.211 23.032 223 2HB ASP 36 3HB ASP 36 23.807 13.752 24.694 224 H GLU 37 H GLU 37 24.194 15.411 26.303 225 HA GLU 37 HA GLU 37 22.427 15.009 28.615 226 1HB GLU 37 2HB GLU 37 24.461 14.738 29.904 227 2HB GLU 37 3HB GLU 37 24.464 13.663 28.506 228 1HG GLU 37 2HG GLU 37 26.410 14.486 27.876 229 2HG GLU 37 3HG GLU 37 25.581 15.980 27.487 230 H TYR 38 H TYR 38 23.657 16.607 30.573 231 HA TYR 38 HA TYR 38 23.870 19.367 29.461 232 1HB TYR 38 2HB TYR 38 22.353 19.149 31.863 233 2HB TYR 38 3HB TYR 38 22.088 20.119 30.350 234 HD1 TYR 38 HD1 TYR 38 21.116 19.034 28.427 235 HD2 TYR 38 HD2 TYR 38 21.124 17.300 32.359 236 HE1 TYR 38 HE1 TYR 38 19.604 17.164 27.623 237 HE2 TYR 38 HE2 TYR 38 19.581 15.515 31.609 238 HH TYR 38 HH TYR 38 18.687 14.454 29.664 239 H ASN 39 H ASN 39 23.628 17.476 32.382 240 HA ASN 39 HA ASN 39 26.071 17.665 33.530 241 1HB ASN 39 2HB ASN 39 25.039 20.273 33.540 242 2HB ASN 39 3HB ASN 39 24.770 19.679 35.155 243 1HD2 ASN 39 1HD2 ASN 39 26.899 21.317 33.424 244 2HD2 ASN 39 2HD2 ASN 39 28.373 21.003 34.340 245 H ILE 40 H ILE 40 26.112 17.553 35.895 246 HA ILE 40 HA ILE 40 25.100 15.458 37.133 247 HB ILE 40 HB ILE 40 27.018 16.896 37.675 248 1HG1 ILE 40 2HG1 ILE 40 26.959 16.933 40.060 249 2HG1 ILE 40 3HG1 ILE 40 25.192 16.857 40.106 250 1HG2 ILE 40 1HG2 ILE 40 25.026 18.766 38.956 251 2HG2 ILE 40 2HG2 ILE 40 26.791 19.005 38.800 252 3HG2 ILE 40 3HG2 ILE 40 25.782 19.049 37.332 253 1HD1 ILE 40 1HD1 ILE 40 26.395 14.600 40.465 254 2HD1 ILE 40 2HD1 ILE 40 25.166 14.647 39.177 255 3HD1 ILE 40 3HD1 ILE 40 26.875 14.744 38.728 256 H ALA 41 H ALA 41 23.867 18.520 37.176 257 HA ALA 41 HA ALA 41 21.265 17.916 38.456 258 1HB ALA 41 1HB ALA 41 23.279 20.047 39.220 259 2HB ALA 41 2HB ALA 41 21.613 20.034 39.831 260 3HB ALA 41 3HB ALA 41 22.718 18.712 40.225 261 H TYR 42 H TYR 42 23.300 20.299 37.057 262 HA TYR 42 HA TYR 42 21.600 22.367 36.145 263 1HB TYR 42 2HB TYR 42 24.333 21.847 35.215 264 2HB TYR 42 3HB TYR 42 23.460 23.329 35.682 265 HD1 TYR 42 HD2 TYR 42 22.678 22.299 38.440 266 HD2 TYR 42 HD1 TYR 42 26.244 22.794 36.169 267 HE1 TYR 42 HE2 TYR 42 23.857 22.707 40.470 268 HE2 TYR 42 HE1 TYR 42 27.564 23.124 38.241 269 HH TYR 42 HH TYR 42 27.445 23.354 40.507 270 H GLU 43 H GLU 43 22.586 23.243 33.990 271 HA GLU 43 HA GLU 43 22.724 21.312 31.812 272 1HB GLU 43 2HB GLU 43 20.706 23.496 31.829 273 2HB GLU 43 3HB GLU 43 21.230 22.715 30.423 274 1HG GLU 43 2HG GLU 43 20.103 20.666 31.065 275 2HG GLU 43 3HG GLU 43 19.774 21.269 32.703 276 H CYS 44 H CYS 44 24.171 21.748 30.451 277 HA CYS 44 HA CYS 44 25.366 24.436 30.250 278 1HB CYS 44 2HB CYS 44 26.225 21.761 29.112 279 2HB CYS 44 3HB CYS 44 27.139 23.279 29.039 280 H CYS 45 H CYS 45 24.641 25.827 28.885 281 HA CYS 45 HA CYS 45 23.529 24.986 26.195 282 1HB CYS 45 2HB CYS 45 22.602 27.349 27.865 283 2HB CYS 45 3HB CYS 45 22.077 26.922 26.234 284 H LYS 46 H LYS 46 23.654 26.764 24.726 285 HA LYS 46 HA LYS 46 26.037 28.519 25.071 286 1HB LYS 46 2HB LYS 46 27.272 27.719 23.538 287 2HB LYS 46 3HB LYS 46 26.347 26.239 23.912 288 1HG LYS 46 2HG LYS 46 26.064 28.077 21.631 289 2HG LYS 46 3HG LYS 46 26.613 26.337 21.673 290 1HD LYS 46 2HD LYS 46 24.603 25.636 21.315 291 2HD LYS 46 3HD LYS 46 24.204 26.365 22.894 292 1HE LYS 46 2HE LYS 46 24.108 28.550 21.486 293 2HE LYS 46 3HE LYS 46 23.599 27.431 20.189 294 1HZ LYS 46 1HZ LYS 46 22.381 27.843 22.882 295 2HZ LYS 46 2HZ LYS 46 22.005 26.539 21.997 296 3HZ LYS 46 3HZ LYS 46 21.661 28.089 21.400 297 H GLN 47 H GLN 47 26.217 30.172 23.433 298 HA GLN 47 HA GLN 47 23.879 31.042 21.946 299 1HB GLN 47 2HB GLN 47 23.980 31.831 24.627 300 2HB GLN 47 3HB GLN 47 24.678 33.198 23.817 301 1HG GLN 47 2HG GLN 47 22.785 33.103 22.244 302 2HG GLN 47 3HG GLN 47 22.015 31.877 23.249 303 1HE2 GLN 47 1HE2 GLN 47 20.196 33.216 23.686 304 2HE2 GLN 47 2HE2 GLN 47 20.444 34.511 24.866 Start of MODEL 3 1 1H GLY 1 H GLY 1 26.554 32.990 35.628 2 1HA GLY 1 2HA GLY 1 25.802 30.477 34.214 3 2HA GLY 1 3HA GLY 1 26.648 31.767 33.394 4 H VAL 2 H VAL 2 27.712 29.269 33.624 5 HA VAL 2 HA VAL 2 30.158 29.696 35.292 6 HB VAL 2 HB VAL 2 28.730 27.264 34.655 7 1HG1 VAL 2 1HG1 VAL 2 30.917 26.502 35.104 8 2HG1 VAL 2 2HG1 VAL 2 30.931 27.412 36.652 9 3HG1 VAL 2 3HG1 VAL 2 29.898 25.971 36.386 10 1HG2 VAL 2 1HG2 VAL 2 27.943 26.871 36.813 11 2HG2 VAL 2 2HG2 VAL 2 28.534 28.553 37.244 12 3HG2 VAL 2 3HG2 VAL 2 27.232 28.252 36.014 13 HA HYP 3 HA HYP 3 31.807 28.274 31.385 14 1HB HYP 3 3HB HYP 3 34.250 28.080 31.585 15 2HB HYP 3 2HB HYP 3 34.097 27.014 32.966 16 1HD HYP 3 3HD HYP 3 32.167 29.746 34.859 17 2HD HYP 3 2HD HYP 3 32.640 28.059 35.112 18 HOD HYP 3 HOD HYP 3 33.013 30.269 32.316 19 HG HYP 3 HG HYP 3 34.690 28.940 34.173 20 H CYS 4 H CYS 4 31.069 26.687 30.240 21 HA CYS 4 HA CYS 4 31.703 23.929 30.996 22 1HB CYS 4 2HB CYS 4 29.770 24.437 32.295 23 2HB CYS 4 3HB CYS 4 28.986 25.127 30.858 24 H ARG 5 H ARG 5 31.986 22.624 29.390 25 HA ARG 5 HA ARG 5 31.684 23.681 26.702 26 1HB ARG 5 2HB ARG 5 33.121 21.903 25.981 27 2HB ARG 5 3HB ARG 5 33.859 22.936 27.199 28 1HG ARG 5 2HG ARG 5 33.451 21.411 28.896 29 2HG ARG 5 3HG ARG 5 32.635 20.272 27.707 30 1HD ARG 5 2HD ARG 5 34.710 19.460 27.164 31 2HD ARG 5 3HD ARG 5 35.103 21.106 26.610 32 HE ARG 5 HE ARG 5 36.512 21.311 28.202 33 1HH1 ARG 5 1HH1 ARG 5 34.523 18.616 29.399 34 2HH1 ARG 5 2HH1 ARG 5 35.135 18.879 31.029 35 1HH2 ARG 5 1HH2 ARG 5 37.139 21.446 30.132 36 2HH2 ARG 5 2HH2 ARG 5 36.555 20.400 31.463 37 H CYS 6 H CYS 6 31.249 22.340 25.083 38 HA CYS 6 HA CYS 6 28.671 20.890 25.346 39 1HB CYS 6 2HB CYS 6 30.057 22.135 22.916 40 2HB CYS 6 3HB CYS 6 28.371 21.583 22.956 41 H ASP 7 H ASP 7 28.517 18.829 23.685 42 HA ASP 7 HA ASP 7 30.392 16.954 24.824 43 1HB ASP 7 2HB ASP 7 29.248 15.258 23.408 44 2HB ASP 7 3HB ASP 7 28.256 16.098 24.574 45 H SER 8 H SER 8 29.993 18.372 21.736 46 HA SER 8 HA SER 8 32.554 17.278 20.696 47 1HB SER 8 2HB SER 8 30.480 16.972 19.392 48 2HB SER 8 3HB SER 8 30.234 18.732 19.320 49 HG SER 8 HG SER 8 32.263 18.886 18.324 50 H ASP 9 H ASP 9 32.983 19.075 22.726 51 HA ASP 9 HA ASP 9 33.082 21.785 22.256 52 1HB ASP 9 2HB ASP 9 34.436 21.963 24.150 53 2HB ASP 9 3HB ASP 9 33.690 20.388 24.381 54 H GLY 10 H GLY 10 35.261 19.581 20.912 55 1HA GLY 10 2HA GLY 10 37.293 21.326 20.162 56 2HA GLY 10 3HA GLY 10 36.836 19.789 19.307 57 HA PRO 11 HA PRO 11 35.977 21.805 15.608 58 1HB PRO 11 2HB PRO 11 33.733 20.393 14.779 59 2HB PRO 11 3HB PRO 11 35.416 19.725 14.720 60 1HG PRO 11 2HG PRO 11 33.442 19.533 17.033 61 2HG PRO 11 3HG PRO 11 34.205 18.120 16.177 62 1HD PRO 11 2HD PRO 11 35.156 18.972 18.376 63 2HD PRO 11 3HD PRO 11 36.336 18.853 17.017 64 H SER 12 H SER 12 34.076 22.298 18.288 65 HA SER 12 HA SER 12 31.858 23.855 17.041 66 1HB SER 12 2HB SER 12 31.476 22.284 18.920 67 2HB SER 12 3HB SER 12 32.564 23.256 19.926 68 HG SER 12 HG SER 12 30.316 23.769 20.134 69 H VAL 13 H VAL 13 34.979 24.305 18.655 70 HA VAL 13 HA VAL 13 34.797 27.174 17.958 71 HB VAL 13 HB VAL 13 35.626 26.784 20.757 72 1HG1 VAL 13 1HG1 VAL 13 35.052 28.932 19.566 73 2HG1 VAL 13 2HG1 VAL 13 33.383 28.355 19.434 74 3HG1 VAL 13 3HG1 VAL 13 34.087 28.675 21.040 75 1HG2 VAL 13 1HG2 VAL 13 33.919 24.923 20.710 76 2HG2 VAL 13 2HG2 VAL 13 33.480 26.281 21.788 77 3HG2 VAL 13 3HG2 VAL 13 32.704 26.066 20.188 78 H HIS 14 H HIS 14 36.752 28.288 19.195 79 HA HIS 14 HA HIS 14 39.067 27.679 17.749 80 1HB HIS 14 2HB HIS 14 38.816 29.366 20.246 81 2HB HIS 14 3HB HIS 14 40.002 29.557 18.939 82 HD1 HIS 14 HD1 HIS 14 37.741 31.831 19.903 83 HD2 HIS 14 HD2 HIS 14 37.640 29.244 16.576 84 HE1 HIS 14 HE1 HIS 14 36.169 32.882 18.196 85 H GLY 15 H GLY 15 38.213 25.830 20.352 86 1HA GLY 15 2HA GLY 15 39.464 24.085 21.273 87 2HA GLY 15 3HA GLY 15 40.929 24.839 20.679 88 H ASN 16 H ASN 16 40.263 23.611 23.221 89 HA ASN 16 HA ASN 16 40.620 23.646 25.419 90 1HB ASN 16 2HB ASN 16 42.741 25.307 24.209 91 2HB ASN 16 3HB ASN 16 42.560 25.495 25.956 92 1HD2 ASN 16 1HD2 ASN 16 42.334 22.857 23.601 93 2HD2 ASN 16 2HD2 ASN 16 43.305 21.713 24.578 94 H THR 17 H THR 17 38.749 25.708 24.361 95 HA THR 17 HA THR 17 38.256 26.974 27.057 96 HB THR 17 HB THR 17 37.542 29.069 25.911 97 HG1 THR 17 HG1 THR 17 37.018 27.887 23.912 98 1HG2 THR 17 1HG2 THR 17 39.870 28.696 26.600 99 2HG2 THR 17 2HG2 THR 17 39.740 29.808 25.203 100 3HG2 THR 17 3HG2 THR 17 40.274 28.127 24.953 101 H LEU 18 H LEU 18 36.710 27.029 27.953 102 HA LEU 18 HA LEU 18 34.200 25.894 27.337 103 1HB LEU 18 2HB LEU 18 35.285 27.437 29.664 104 2HB LEU 18 3HB LEU 18 33.666 26.647 29.671 105 HG LEU 18 HG LEU 18 36.190 25.064 28.962 106 1HD1 LEU 18 1HD1 LEU 18 34.818 25.478 31.556 107 2HD1 LEU 18 2HD1 LEU 18 36.391 26.205 31.110 108 3HD1 LEU 18 3HD1 LEU 18 36.248 24.419 31.282 109 1HD2 LEU 18 1HD2 LEU 18 33.521 24.384 30.265 110 2HD2 LEU 18 2HD2 LEU 18 34.638 23.201 29.402 111 3HD2 LEU 18 3HD2 LEU 18 33.785 24.441 28.523 112 H SER 19 H SER 19 34.148 27.448 25.318 113 HA SER 19 HA SER 19 33.024 30.130 25.659 114 1HB SER 19 2HB SER 19 34.131 29.159 23.560 115 2HB SER 19 3HB SER 19 32.657 28.289 23.229 116 HG SER 19 HG SER 19 31.569 30.445 23.457 117 H GLY 20 H GLY 20 31.655 27.111 26.296 118 1HA GLY 20 2HA GLY 20 28.839 27.800 25.679 119 2HA GLY 20 3HA GLY 20 29.430 26.257 26.288 120 H THR 21 H THR 21 27.425 27.033 27.827 121 HA THR 21 HA THR 21 28.720 28.085 30.269 122 HB THR 21 HB THR 21 26.226 29.424 29.089 123 HG1 THR 21 HG1 THR 21 28.918 29.872 28.731 124 1HG2 THR 21 1HG2 THR 21 26.210 29.636 31.480 125 2HG2 THR 21 2HG2 THR 21 26.577 31.174 30.635 126 3HG2 THR 21 3HG2 THR 21 27.901 30.243 31.429 127 H VAL 22 H VAL 22 27.813 27.139 32.184 128 HA VAL 22 HA VAL 22 25.444 25.571 31.772 129 HB VAL 22 HB VAL 22 26.978 24.206 32.535 130 1HG1 VAL 22 1HG1 VAL 22 27.404 25.797 34.895 131 2HG1 VAL 22 2HG1 VAL 22 28.174 24.272 34.526 132 3HG1 VAL 22 3HG1 VAL 22 28.574 25.676 33.449 133 1HG2 VAL 22 1HG2 VAL 22 25.257 25.020 34.980 134 2HG2 VAL 22 2HG2 VAL 22 24.575 24.266 33.540 135 3HG2 VAL 22 3HG2 VAL 22 25.794 23.377 34.388 136 H TRP 23 H TRP 23 23.913 25.906 32.684 137 HA TRP 23 HA TRP 23 23.190 28.304 34.305 138 1HB TRP 23 2HB TRP 23 21.411 26.960 32.244 139 2HB TRP 23 3HB TRP 23 21.182 28.552 33.000 140 HD1 TRP 23 HD1 TRP 23 22.984 26.745 30.216 141 HE1 TRP 23 HE1 TRP 23 24.181 28.436 28.643 142 HE3 TRP 23 HE3 TRP 23 22.256 31.006 32.876 143 HZ2 TRP 23 HZ2 TRP 23 24.577 31.212 28.544 144 HZ3 TRP 23 HZ3 TRP 23 22.791 33.258 31.892 145 HH2 TRP 23 HH2 TRP 23 24.012 33.343 29.676 146 H VAL 24 H VAL 24 22.036 27.704 36.077 147 HA VAL 24 HA VAL 24 21.647 24.806 36.302 148 HB VAL 24 HB VAL 24 22.182 24.704 38.297 149 1HG1 VAL 24 1HG1 VAL 24 23.933 27.035 37.518 150 2HG1 VAL 24 2HG1 VAL 24 24.397 25.618 38.497 151 3HG1 VAL 24 3HG1 VAL 24 24.071 25.451 36.728 152 1HG2 VAL 24 1HG2 VAL 24 21.665 27.539 39.010 153 2HG2 VAL 24 2HG2 VAL 24 20.566 26.149 39.272 154 3HG2 VAL 24 3HG2 VAL 24 22.161 26.172 40.080 155 H GLY 25 H GLY 25 19.804 24.111 37.473 156 1HA GLY 25 2HA GLY 25 17.587 24.282 38.076 157 2HA GLY 25 3HA GLY 25 17.695 26.054 37.877 158 H SER 26 H SER 26 18.529 25.964 35.063 159 HA SER 26 HA SER 26 17.230 24.407 33.195 160 1HB SER 26 2HB SER 26 15.450 25.756 32.438 161 2HB SER 26 3HB SER 26 15.256 25.663 34.193 162 HG SER 26 HG SER 26 16.283 27.865 32.682 163 H CYS 27 H CYS 27 17.415 25.446 30.954 164 HA CYS 27 HA CYS 27 19.941 26.933 30.535 165 1HB CYS 27 2HB CYS 27 18.803 25.136 28.983 166 2HB CYS 27 3HB CYS 27 17.742 26.456 28.508 167 H ALA 28 H ALA 28 20.067 28.724 29.155 168 HA ALA 28 HA ALA 28 18.547 31.018 30.092 169 1HB ALA 28 1HB ALA 28 20.893 31.084 29.980 170 2HB ALA 28 2HB ALA 28 20.960 30.473 28.327 171 3HB ALA 28 3HB ALA 28 20.366 32.141 28.644 172 H SER 29 H SER 29 17.095 32.101 28.963 173 HA SER 29 HA SER 29 15.231 31.279 27.369 174 1HB SER 29 2HB SER 29 14.432 33.315 27.512 175 2HB SER 29 3HB SER 29 15.891 33.652 28.456 176 HG SER 29 HG SER 29 16.842 34.534 26.577 177 H GLY 30 H GLY 30 17.932 32.881 25.736 178 1HA GLY 30 2HA GLY 30 16.818 32.091 23.070 179 2HA GLY 30 3HA GLY 30 18.130 33.239 23.394 180 H TRP 31 H TRP 31 18.635 30.379 25.092 181 HA TRP 31 HA TRP 31 20.801 29.650 23.130 182 1HB TRP 31 2HB TRP 31 20.575 28.848 26.012 183 2HB TRP 31 3HB TRP 31 21.927 28.595 24.968 184 HD1 TRP 31 HD1 TRP 31 20.286 32.067 25.803 185 HE1 TRP 31 HE1 TRP 31 22.221 33.647 26.351 186 HE3 TRP 31 HE3 TRP 31 24.088 28.753 25.720 187 HZ2 TRP 31 HZ2 TRP 31 25.098 33.496 26.556 188 HZ3 TRP 31 HZ3 TRP 31 26.423 29.422 26.406 189 HH2 TRP 31 HH2 TRP 31 26.948 31.792 26.738 190 H HIS 32 H HIS 32 21.408 27.120 23.467 191 HA HIS 32 HA HIS 32 18.989 25.455 23.742 192 1HB HIS 32 2HB HIS 32 20.518 25.143 21.131 193 2HB HIS 32 3HB HIS 32 19.042 24.351 21.617 194 HD1 HIS 32 HD1 HIS 32 17.033 25.252 20.143 195 HD2 HIS 32 HD2 HIS 32 20.121 28.038 20.850 196 HE1 HIS 32 HE1 HIS 32 16.538 27.241 18.705 197 H LYS 33 H LYS 33 19.581 23.106 23.472 198 HA LYS 33 HA LYS 33 21.884 22.420 25.077 199 1HB LYS 33 2HB LYS 33 19.684 20.876 23.878 200 2HB LYS 33 3HB LYS 33 21.252 20.049 23.765 201 1HG LYS 33 2HG LYS 33 20.413 19.423 25.916 202 2HG LYS 33 3HG LYS 33 21.670 20.623 26.209 203 1HD LYS 33 2HD LYS 33 19.774 22.401 26.017 204 2HD LYS 33 3HD LYS 33 18.634 21.022 26.033 205 1HE LYS 33 2HE LYS 33 18.827 21.359 28.295 206 2HE LYS 33 3HE LYS 33 20.235 20.295 27.994 207 1HZ LYS 33 1HZ LYS 33 20.462 22.538 29.249 208 2HZ LYS 33 2HZ LYS 33 20.471 23.222 27.829 209 3HZ LYS 33 3HZ LYS 33 21.694 22.156 28.139 210 H CYS 34 H CYS 34 23.823 22.495 24.543 211 HA CYS 34 HA CYS 34 24.659 22.186 21.726 212 1HB CYS 34 2HB CYS 34 26.714 23.093 22.370 213 2HB CYS 34 3HB CYS 34 25.426 24.031 23.124 214 H ASN 35 H ASN 35 23.847 20.079 24.192 215 HA ASN 35 HA ASN 35 25.454 17.949 23.078 216 1HB ASN 35 2HB ASN 35 26.456 17.341 25.218 217 2HB ASN 35 3HB ASN 35 27.043 18.905 24.651 218 1HD2 ASN 35 1HD2 ASN 35 26.748 17.569 27.340 219 2HD2 ASN 35 2HD2 ASN 35 25.409 18.438 28.015 220 H ASP 36 H ASP 36 24.927 15.872 24.004 221 HA ASP 36 HA ASP 36 22.108 15.595 24.379 222 1HB ASP 36 2HB ASP 36 23.819 14.010 23.250 223 2HB ASP 36 3HB ASP 36 24.110 13.438 24.922 224 H GLU 37 H GLU 37 24.701 15.582 26.587 225 HA GLU 37 HA GLU 37 23.006 14.907 28.917 226 1HB GLU 37 2HB GLU 37 25.063 14.603 30.147 227 2HB GLU 37 3HB GLU 37 24.993 13.581 28.698 228 1HG GLU 37 2HG GLU 37 26.412 15.230 27.472 229 2HG GLU 37 3HG GLU 37 26.399 16.234 28.912 230 H TYR 38 H TYR 38 23.930 16.496 30.978 231 HA TYR 38 HA TYR 38 24.081 19.272 29.908 232 1HB TYR 38 2HB TYR 38 22.360 19.006 32.175 233 2HB TYR 38 3HB TYR 38 22.181 19.911 30.598 234 HD1 TYR 38 HD1 TYR 38 21.493 16.838 32.418 235 HD2 TYR 38 HD2 TYR 38 21.272 19.007 28.759 236 HE1 TYR 38 HE1 TYR 38 20.215 14.966 31.468 237 HE2 TYR 38 HE2 TYR 38 19.970 17.084 27.695 238 HH TYR 38 HH TYR 38 19.239 14.105 29.520 239 H ASN 39 H ASN 39 23.657 17.552 32.959 240 HA ASN 39 HA ASN 39 26.116 17.946 34.142 241 1HB ASN 39 2HB ASN 39 24.824 20.471 33.972 242 2HB ASN 39 3HB ASN 39 24.670 19.938 35.620 243 1HD2 ASN 39 1HD2 ASN 39 26.806 20.751 33.131 244 2HD2 ASN 39 2HD2 ASN 39 28.289 20.907 34.084 245 H ILE 40 H ILE 40 26.109 18.125 36.516 246 HA ILE 40 HA ILE 40 25.237 16.036 37.915 247 HB ILE 40 HB ILE 40 27.059 17.654 38.347 248 1HG1 ILE 40 2HG1 ILE 40 26.939 17.886 40.723 249 2HG1 ILE 40 3HG1 ILE 40 25.185 17.695 40.744 250 1HG2 ILE 40 1HG2 ILE 40 24.925 19.484 39.440 251 2HG2 ILE 40 2HG2 ILE 40 26.665 19.833 39.254 252 3HG2 ILE 40 3HG2 ILE 40 25.640 19.664 37.800 253 1HD1 ILE 40 1HD1 ILE 40 25.316 15.408 40.003 254 2HD1 ILE 40 2HD1 ILE 40 27.011 15.576 39.555 255 3HD1 ILE 40 3HD1 ILE 40 26.530 15.557 41.302 256 H ALA 41 H ALA 41 23.840 19.017 37.573 257 HA ALA 41 HA ALA 41 21.216 18.448 38.766 258 1HB ALA 41 1HB ALA 41 21.413 20.658 40.007 259 2HB ALA 41 2HB ALA 41 22.501 19.396 40.600 260 3HB ALA 41 3HB ALA 41 23.133 20.665 39.545 261 H TYR 42 H TYR 42 23.323 20.752 37.377 262 HA TYR 42 HA TYR 42 21.721 22.758 36.207 263 1HB TYR 42 2HB TYR 42 24.477 22.140 35.456 264 2HB TYR 42 3HB TYR 42 23.604 23.650 35.699 265 HD1 TYR 42 HD1 TYR 42 22.706 22.706 38.601 266 HD2 TYR 42 HD2 TYR 42 26.268 23.417 36.365 267 HE1 TYR 42 HE1 TYR 42 23.734 23.359 40.577 268 HE2 TYR 42 HE2 TYR 42 27.410 24.141 38.376 269 HH TYR 42 HH TYR 42 25.741 24.136 41.598 270 H GLU 43 H GLU 43 22.747 23.403 33.975 271 HA GLU 43 HA GLU 43 22.852 21.190 32.016 272 1HB GLU 43 2HB GLU 43 20.898 23.429 32.068 273 2HB GLU 43 3HB GLU 43 21.401 22.863 30.588 274 1HG GLU 43 2HG GLU 43 20.164 20.807 30.873 275 2HG GLU 43 3HG GLU 43 19.856 21.185 32.605 276 H CYS 44 H CYS 44 24.140 21.468 30.438 277 HA CYS 44 HA CYS 44 25.516 24.052 30.033 278 1HB CYS 44 2HB CYS 44 26.408 21.485 29.993 279 2HB CYS 44 3HB CYS 44 26.076 21.684 28.287 280 H CYS 45 H CYS 45 25.335 25.313 28.270 281 HA CYS 45 HA CYS 45 23.818 24.603 25.843 282 1HB CYS 45 2HB CYS 45 23.070 27.084 27.448 283 2HB CYS 45 3HB CYS 45 22.475 26.593 25.843 284 H LYS 46 H LYS 46 24.024 26.361 24.336 285 HA LYS 46 HA LYS 46 26.495 27.997 24.579 286 1HB LYS 46 2HB LYS 46 27.711 27.110 23.066 287 2HB LYS 46 3HB LYS 46 26.802 25.672 23.560 288 1HG LYS 46 2HG LYS 46 26.480 27.358 21.164 289 2HG LYS 46 3HG LYS 46 27.023 25.623 21.302 290 1HD LYS 46 2HD LYS 46 25.015 24.881 21.057 291 2HD LYS 46 3HD LYS 46 24.618 25.781 22.538 292 1HE LYS 46 2HE LYS 46 24.524 27.822 20.977 293 2HE LYS 46 3HE LYS 46 24.035 26.602 19.745 294 1HZ LYS 46 1HZ LYS 46 22.796 27.202 22.389 295 2HZ LYS 46 2HZ LYS 46 22.398 25.855 21.540 296 3HZ LYS 46 3HZ LYS 46 22.058 27.368 20.919 297 H GLN 47 H GLN 47 26.761 29.569 22.925 298 HA GLN 47 HA GLN 47 24.708 30.462 21.153 299 1HB GLN 47 2HB GLN 47 24.567 31.355 23.899 300 2HB GLN 47 3HB GLN 47 25.124 32.714 22.994 301 1HG GLN 47 2HG GLN 47 23.287 32.282 21.390 302 2HG GLN 47 3HG GLN 47 22.601 31.107 22.513 303 1HE2 GLN 47 1HE2 GLN 47 20.644 32.513 22.580 304 2HE2 GLN 47 2HE2 GLN 47 20.818 33.912 23.653 Start of MODEL 4 1 1H GLY 1 H GLY 1 28.254 33.712 35.763 2 1HA GLY 1 2HA GLY 1 26.372 31.411 35.577 3 2HA GLY 1 3HA GLY 1 27.055 32.159 34.168 4 H VAL 2 H VAL 2 27.536 29.406 34.670 5 HA VAL 2 HA VAL 2 30.321 29.446 35.734 6 HB VAL 2 HB VAL 2 28.687 27.195 35.044 7 1HG1 VAL 2 1HG1 VAL 2 30.876 27.040 37.024 8 2HG1 VAL 2 2HG1 VAL 2 29.818 25.713 36.390 9 3HG1 VAL 2 3HG1 VAL 2 30.953 26.487 35.325 10 1HG2 VAL 2 1HG2 VAL 2 27.919 26.737 37.146 11 2HG2 VAL 2 2HG2 VAL 2 28.687 28.322 37.701 12 3HG2 VAL 2 3HG2 VAL 2 27.316 28.287 36.521 13 HA HYP 3 HA HYP 3 31.210 28.537 31.448 14 1HB HYP 3 3HB HYP 3 33.636 28.583 31.313 15 2HB HYP 3 2HB HYP 3 33.775 27.288 32.500 16 1HD HYP 3 3HD HYP 3 32.111 29.751 34.953 17 2HD HYP 3 2HD HYP 3 32.573 28.048 35.070 18 HOD HYP 3 HOD HYP 3 32.741 30.639 32.546 19 HG HYP 3 HG HYP 3 34.498 28.892 33.934 20 H CYS 4 H CYS 4 30.440 26.884 30.300 21 HA CYS 4 HA CYS 4 31.267 24.173 31.039 22 1HB CYS 4 2HB CYS 4 29.372 24.599 32.433 23 2HB CYS 4 3HB CYS 4 28.420 24.965 30.951 24 H ARG 5 H ARG 5 31.704 22.955 29.406 25 HA ARG 5 HA ARG 5 31.171 23.892 26.734 26 1HB ARG 5 2HB ARG 5 32.659 22.189 25.970 27 2HB ARG 5 3HB ARG 5 33.283 23.335 27.110 28 1HG ARG 5 2HG ARG 5 33.093 21.672 28.876 29 2HG ARG 5 3HG ARG 5 32.509 20.507 27.595 30 1HD ARG 5 2HD ARG 5 34.823 20.069 27.642 31 2HD ARG 5 3HD ARG 5 34.671 21.318 26.374 32 HE ARG 5 HE ARG 5 35.604 21.776 29.128 33 1HH1 ARG 5 1HH1 ARG 5 36.273 22.365 25.671 34 2HH1 ARG 5 2HH1 ARG 5 37.427 23.587 26.106 35 1HH2 ARG 5 1HH2 ARG 5 37.139 22.887 29.411 36 2HH2 ARG 5 2HH2 ARG 5 38.075 23.782 28.166 37 H CYS 6 H CYS 6 30.991 22.116 25.101 38 HA CYS 6 HA CYS 6 28.317 20.780 25.355 39 1HB CYS 6 2HB CYS 6 29.490 22.360 22.991 40 2HB CYS 6 3HB CYS 6 27.876 21.699 23.087 41 H ASP 7 H ASP 7 28.034 19.191 23.413 42 HA ASP 7 HA ASP 7 29.697 16.921 23.723 43 1HB ASP 7 2HB ASP 7 27.576 16.507 22.814 44 2HB ASP 7 3HB ASP 7 27.705 17.815 21.644 45 H SER 8 H SER 8 29.596 19.033 20.947 46 HA SER 8 HA SER 8 32.335 18.369 20.087 47 1HB SER 8 2HB SER 8 30.507 18.172 18.451 48 2HB SER 8 3HB SER 8 30.039 19.857 18.770 49 HG SER 8 HG SER 8 32.143 20.455 18.103 50 H ASP 9 H ASP 9 32.640 19.772 22.403 51 HA ASP 9 HA ASP 9 32.462 22.552 22.348 52 1HB ASP 9 2HB ASP 9 34.025 22.524 24.134 53 2HB ASP 9 3HB ASP 9 33.174 20.984 24.258 54 H GLY 10 H GLY 10 35.005 20.624 20.966 55 1HA GLY 10 2HA GLY 10 35.685 21.534 18.686 56 2HA GLY 10 3HA GLY 10 36.141 23.035 19.566 57 HA PRO 11 HA PRO 11 39.195 19.520 20.603 58 1HB PRO 11 2HB PRO 11 39.003 17.161 19.079 59 2HB PRO 11 3HB PRO 11 38.188 17.416 20.659 60 1HG PRO 11 2HG PRO 11 37.024 18.098 17.897 61 2HG PRO 11 3HG PRO 11 36.318 16.968 19.125 62 1HD PRO 11 2HD PRO 11 35.522 19.441 18.996 63 2HD PRO 11 3HD PRO 11 36.033 18.847 20.610 64 H SER 12 H SER 12 38.349 20.394 17.389 65 HA SER 12 HA SER 12 41.175 20.341 16.505 66 1HB SER 12 2HB SER 12 39.661 18.437 15.613 67 2HB SER 12 3HB SER 12 38.883 19.734 14.679 68 HG SER 12 HG SER 12 40.542 18.738 13.464 69 H VAL 13 H VAL 13 39.807 22.391 17.599 70 HA VAL 13 HA VAL 13 40.211 24.420 15.444 71 HB VAL 13 HB VAL 13 37.777 25.066 16.951 72 1HG1 VAL 13 1HG1 VAL 13 38.520 26.083 14.825 73 2HG1 VAL 13 2HG1 VAL 13 38.367 24.506 14.016 74 3HG1 VAL 13 3HG1 VAL 13 36.918 25.336 14.642 75 1HG2 VAL 13 1HG2 VAL 13 37.463 22.566 17.042 76 2HG2 VAL 13 2HG2 VAL 13 36.243 23.386 16.030 77 3HG2 VAL 13 3HG2 VAL 13 37.610 22.498 15.297 78 H HIS 14 H HIS 14 40.137 26.651 16.133 79 HA HIS 14 HA HIS 14 41.686 27.147 18.536 80 1HB HIS 14 2HB HIS 14 41.400 29.549 17.733 81 2HB HIS 14 3HB HIS 14 42.348 28.418 16.787 82 HD1 HIS 14 HD1 HIS 14 41.946 29.497 14.342 83 HD2 HIS 14 HD2 HIS 14 38.445 28.684 16.557 84 HE1 HIS 14 HE1 HIS 14 40.039 29.531 12.707 85 H GLY 15 H GLY 15 39.889 26.175 19.761 86 1HA GLY 15 2HA GLY 15 38.626 28.279 21.341 87 2HA GLY 15 3HA GLY 15 37.446 27.363 20.391 88 H ASN 16 H ASN 16 40.246 26.641 22.409 89 HA ASN 16 HA ASN 16 39.111 24.232 23.581 90 1HB ASN 16 2HB ASN 16 41.151 24.173 24.941 91 2HB ASN 16 3HB ASN 16 41.540 24.544 23.253 92 1HD2 ASN 16 1HD2 ASN 16 42.950 26.323 22.944 93 2HD2 ASN 16 2HD2 ASN 16 43.107 27.546 24.215 94 H THR 17 H THR 17 38.377 27.313 24.201 95 HA THR 17 HA THR 17 37.833 27.096 27.092 96 HB THR 17 HB THR 17 37.358 29.570 26.778 97 HG1 THR 17 HG1 THR 17 36.667 29.231 24.518 98 1HG2 THR 17 1HG2 THR 17 39.656 30.199 26.255 99 2HG2 THR 17 2HG2 THR 17 39.919 28.643 25.393 100 3HG2 THR 17 3HG2 THR 17 39.658 28.651 27.155 101 H LEU 18 H LEU 18 36.198 27.344 28.096 102 HA LEU 18 HA LEU 18 33.782 26.374 27.345 103 1HB LEU 18 2HB LEU 18 34.844 27.720 29.770 104 2HB LEU 18 3HB LEU 18 33.192 26.992 29.719 105 HG LEU 18 HG LEU 18 35.571 25.392 28.765 106 1HD1 LEU 18 1HD1 LEU 18 36.058 24.653 30.943 107 2HD1 LEU 18 2HD1 LEU 18 34.653 25.541 31.590 108 3HD1 LEU 18 3HD1 LEU 18 36.053 26.453 30.952 109 1HD2 LEU 18 1HD2 LEU 18 33.217 24.820 28.486 110 2HD2 LEU 18 2HD2 LEU 18 33.015 24.779 30.250 111 3HD2 LEU 18 3HD2 LEU 18 34.061 23.562 29.365 112 H SER 19 H SER 19 33.397 27.910 25.448 113 HA SER 19 HA SER 19 32.346 30.576 25.862 114 1HB SER 19 2HB SER 19 31.398 30.202 23.549 115 2HB SER 19 3HB SER 19 33.146 29.900 23.670 116 HG SER 19 HG SER 19 32.075 28.214 22.537 117 H GLY 20 H GLY 20 31.054 27.349 26.042 118 1HA GLY 20 2HA GLY 20 28.191 28.081 26.092 119 2HA GLY 20 3HA GLY 20 28.911 26.504 26.495 120 H THR 21 H THR 21 26.901 27.512 28.149 121 HA THR 21 HA THR 21 28.357 28.097 30.648 122 HB THR 21 HB THR 21 26.026 29.723 29.574 123 HG1 THR 21 HG1 THR 21 28.647 29.958 29.177 124 1HG2 THR 21 1HG2 THR 21 26.396 31.270 31.338 125 2HG2 THR 21 2HG2 THR 21 27.618 30.197 32.106 126 3HG2 THR 21 3HG2 THR 21 25.921 29.660 31.993 127 H VAL 22 H VAL 22 27.320 27.292 32.489 128 HA VAL 22 HA VAL 22 25.013 25.617 31.993 129 HB VAL 22 HB VAL 22 26.622 24.414 32.818 130 1HG1 VAL 22 1HG1 VAL 22 26.865 26.335 34.904 131 2HG1 VAL 22 2HG1 VAL 22 27.618 24.740 35.045 132 3HG1 VAL 22 3HG1 VAL 22 28.140 25.824 33.652 133 1HG2 VAL 22 1HG2 VAL 22 25.487 23.451 34.555 134 2HG2 VAL 22 2HG2 VAL 22 24.893 25.048 35.234 135 3HG2 VAL 22 3HG2 VAL 22 24.206 24.273 33.732 136 H TRP 23 H TRP 23 23.335 25.778 32.944 137 HA TRP 23 HA TRP 23 22.548 28.118 34.569 138 1HB TRP 23 2HB TRP 23 20.808 26.824 32.450 139 2HB TRP 23 3HB TRP 23 20.592 28.402 33.228 140 HD1 TRP 23 HD1 TRP 23 22.323 26.700 30.390 141 HE1 TRP 23 HE1 TRP 23 23.697 28.422 28.987 142 HE3 TRP 23 HE3 TRP 23 22.016 30.772 33.432 143 HZ2 TRP 23 HZ2 TRP 23 24.232 31.161 29.070 144 HZ3 TRP 23 HZ3 TRP 23 22.838 33.018 32.693 145 HH2 TRP 23 HH2 TRP 23 23.900 33.212 30.393 146 H VAL 24 H VAL 24 22.265 27.414 36.306 147 HA VAL 24 HA VAL 24 21.643 24.665 36.978 148 HB VAL 24 HB VAL 24 22.254 27.147 38.527 149 1HG1 VAL 24 1HG1 VAL 24 20.676 25.824 39.808 150 2HG1 VAL 24 2HG1 VAL 24 21.617 24.394 39.552 151 3HG1 VAL 24 3HG1 VAL 24 22.320 25.706 40.531 152 1HG2 VAL 24 1HG2 VAL 24 24.081 26.914 37.449 153 2HG2 VAL 24 2HG2 VAL 24 24.463 25.775 38.772 154 3HG2 VAL 24 3HG2 VAL 24 23.971 25.256 37.096 155 H GLY 25 H GLY 25 19.708 23.953 37.577 156 1HA GLY 25 2HA GLY 25 17.513 24.119 38.431 157 2HA GLY 25 3HA GLY 25 17.695 25.859 38.374 158 H SER 26 H SER 26 18.706 25.171 35.441 159 HA SER 26 HA SER 26 17.951 24.142 33.488 160 1HB SER 26 2HB SER 26 15.623 23.951 34.265 161 2HB SER 26 3HB SER 26 15.379 25.661 33.792 162 HG SER 26 HG SER 26 16.215 23.448 32.170 163 H CYS 27 H CYS 27 17.631 25.174 31.361 164 HA CYS 27 HA CYS 27 19.620 27.085 30.800 165 1HB CYS 27 2HB CYS 27 18.457 25.276 29.368 166 2HB CYS 27 3HB CYS 27 17.334 26.563 28.949 167 H ALA 28 H ALA 28 19.778 28.912 29.823 168 HA ALA 28 HA ALA 28 18.276 31.156 30.837 169 1HB ALA 28 1HB ALA 28 19.975 32.335 29.267 170 2HB ALA 28 2HB ALA 28 20.602 31.322 30.578 171 3HB ALA 28 3HB ALA 28 20.597 30.693 28.930 172 H SER 29 H SER 29 16.675 32.083 29.934 173 HA SER 29 HA SER 29 14.773 31.447 28.257 174 1HB SER 29 2HB SER 29 15.871 34.197 28.837 175 2HB SER 29 3HB SER 29 14.240 33.920 28.188 176 HG SER 29 HG SER 29 14.988 32.509 30.515 177 H GLY 30 H GLY 30 17.653 32.097 26.707 178 1HA GLY 30 2HA GLY 30 16.304 32.411 24.060 179 2HA GLY 30 3HA GLY 30 17.547 33.585 24.498 180 H TRP 31 H TRP 31 18.345 30.620 25.795 181 HA TRP 31 HA TRP 31 20.349 30.082 23.629 182 1HB TRP 31 2HB TRP 31 20.310 29.043 26.456 183 2HB TRP 31 3HB TRP 31 21.582 28.868 25.311 184 HD1 TRP 31 HD1 TRP 31 20.121 32.341 26.371 185 HE1 TRP 31 HE1 TRP 31 22.179 33.795 26.927 186 HE3 TRP 31 HE3 TRP 31 23.760 28.807 26.247 187 HZ2 TRP 31 HZ2 TRP 31 24.947 33.496 27.170 188 HZ3 TRP 31 HZ3 TRP 31 26.121 29.396 26.932 189 HH2 TRP 31 HH2 TRP 31 26.734 31.680 27.323 190 H HIS 32 H HIS 32 21.041 27.542 23.886 191 HA HIS 32 HA HIS 32 18.673 25.839 24.234 192 1HB HIS 32 2HB HIS 32 20.065 25.553 21.576 193 2HB HIS 32 3HB HIS 32 18.586 24.808 22.124 194 HD1 HIS 32 HD1 HIS 32 16.423 25.948 21.081 195 HD2 HIS 32 HD2 HIS 32 19.889 28.341 21.088 196 HE1 HIS 32 HE1 HIS 32 15.896 28.003 19.684 197 H LYS 33 H LYS 33 19.216 23.602 24.064 198 HA LYS 33 HA LYS 33 21.600 22.837 25.413 199 1HB LYS 33 2HB LYS 33 19.212 21.480 24.434 200 2HB LYS 33 3HB LYS 33 20.666 20.512 24.129 201 1HG LYS 33 2HG LYS 33 19.885 19.932 26.214 202 2HG LYS 33 3HG LYS 33 21.363 20.884 26.483 203 1HD LYS 33 2HD LYS 33 20.035 22.939 26.854 204 2HD LYS 33 3HD LYS 33 18.512 22.070 26.531 205 1HE LYS 33 2HE LYS 33 20.584 21.299 28.538 206 2HE LYS 33 3HE LYS 33 19.157 22.313 28.953 207 1HZ LYS 33 1HZ LYS 33 17.725 20.486 28.276 208 2HZ LYS 33 2HZ LYS 33 18.844 19.857 29.328 209 3HZ LYS 33 3HZ LYS 33 19.054 19.657 27.697 210 H CYS 34 H CYS 34 23.574 22.527 24.784 211 HA CYS 34 HA CYS 34 24.137 22.220 21.928 212 1HB CYS 34 2HB CYS 34 26.295 22.964 22.531 213 2HB CYS 34 3HB CYS 34 25.076 24.042 23.162 214 H ASN 35 H ASN 35 23.260 20.040 24.371 215 HA ASN 35 HA ASN 35 24.674 17.958 23.013 216 1HB ASN 35 2HB ASN 35 25.800 17.037 24.986 217 2HB ASN 35 3HB ASN 35 26.492 18.563 24.504 218 1HD2 ASN 35 1HD2 ASN 35 26.060 16.990 27.137 219 2HD2 ASN 35 2HD2 ASN 35 24.924 18.065 27.913 220 H ASP 36 H ASP 36 24.057 15.791 24.157 221 HA ASP 36 HA ASP 36 21.175 15.791 24.280 222 1HB ASP 36 2HB ASP 36 22.719 13.961 23.338 223 2HB ASP 36 3HB ASP 36 22.981 13.479 25.021 224 H GLU 37 H GLU 37 23.635 15.169 26.566 225 HA GLU 37 HA GLU 37 21.936 15.005 28.939 226 1HB GLU 37 2HB GLU 37 24.004 14.452 30.085 227 2HB GLU 37 3HB GLU 37 23.759 13.419 28.657 228 1HG GLU 37 2HG GLU 37 25.179 15.349 27.461 229 2HG GLU 37 3HG GLU 37 25.739 15.608 29.129 230 H TYR 38 H TYR 38 23.110 16.427 30.950 231 HA TYR 38 HA TYR 38 23.632 19.175 29.882 232 1HB TYR 38 2HB TYR 38 21.989 19.114 32.211 233 2HB TYR 38 3HB TYR 38 21.798 20.024 30.679 234 HD1 TYR 38 HD1 TYR 38 20.876 18.992 28.755 235 HD2 TYR 38 HD2 TYR 38 20.800 17.148 32.633 236 HE1 TYR 38 HE1 TYR 38 19.204 17.286 27.920 237 HE2 TYR 38 HE2 TYR 38 19.189 15.476 31.839 238 HH TYR 38 HH TYR 38 18.113 14.547 29.807 239 H ASN 39 H ASN 39 23.070 17.618 33.047 240 HA ASN 39 HA ASN 39 25.687 17.760 34.038 241 1HB ASN 39 2HB ASN 39 24.692 20.375 33.827 242 2HB ASN 39 3HB ASN 39 24.377 19.915 35.492 243 1HD2 ASN 39 1HD2 ASN 39 26.639 21.277 33.535 244 2HD2 ASN 39 2HD2 ASN 39 28.039 20.960 34.560 245 H ILE 40 H ILE 40 25.850 17.854 36.381 246 HA ILE 40 HA ILE 40 24.897 15.832 37.792 247 HB ILE 40 HB ILE 40 26.852 17.325 38.139 248 1HG1 ILE 40 2HG1 ILE 40 26.961 17.448 40.507 249 2HG1 ILE 40 3HG1 ILE 40 25.193 17.357 40.692 250 1HG2 ILE 40 1HG2 ILE 40 24.912 19.208 39.461 251 2HG2 ILE 40 2HG2 ILE 40 26.659 19.489 39.166 252 3HG2 ILE 40 3HG2 ILE 40 25.537 19.437 37.779 253 1HD1 ILE 40 1HD1 ILE 40 25.113 15.144 39.859 254 2HD1 ILE 40 2HD1 ILE 40 26.794 15.218 39.273 255 3HD1 ILE 40 3HD1 ILE 40 26.449 15.135 41.042 256 H ALA 41 H ALA 41 23.683 18.875 37.634 257 HA ALA 41 HA ALA 41 21.130 18.412 39.052 258 1HB ALA 41 1HB ALA 41 23.200 20.555 39.604 259 2HB ALA 41 2HB ALA 41 21.547 20.625 40.278 260 3HB ALA 41 3HB ALA 41 22.630 19.309 40.717 261 H TYR 42 H TYR 42 23.149 20.623 37.401 262 HA TYR 42 HA TYR 42 21.427 22.637 36.380 263 1HB TYR 42 2HB TYR 42 24.161 22.097 35.466 264 2HB TYR 42 3HB TYR 42 23.268 23.594 35.843 265 HD1 TYR 42 HD2 TYR 42 22.502 22.752 38.617 266 HD2 TYR 42 HD1 TYR 42 26.082 23.049 36.378 267 HE1 TYR 42 HE2 TYR 42 23.642 23.291 40.646 268 HE2 TYR 42 HE1 TYR 42 27.391 23.510 38.386 269 HH TYR 42 HH TYR 42 25.732 23.792 41.610 270 H GLU 43 H GLU 43 22.385 23.356 34.160 271 HA GLU 43 HA GLU 43 22.471 21.237 32.132 272 1HB GLU 43 2HB GLU 43 20.505 23.458 32.079 273 2HB GLU 43 3HB GLU 43 21.017 22.701 30.681 274 1HG GLU 43 2HG GLU 43 19.702 20.756 31.137 275 2HG GLU 43 3HG GLU 43 19.588 21.133 32.871 276 H CYS 44 H CYS 44 23.890 21.564 30.685 277 HA CYS 44 HA CYS 44 25.137 24.236 30.322 278 1HB CYS 44 2HB CYS 44 25.948 21.494 29.320 279 2HB CYS 44 3HB CYS 44 26.861 22.994 29.108 280 H CYS 45 H CYS 45 24.628 25.558 28.821 281 HA CYS 45 HA CYS 45 23.442 24.636 26.238 282 1HB CYS 45 2HB CYS 45 22.571 27.145 27.739 283 2HB CYS 45 3HB CYS 45 21.995 26.617 26.157 284 H LYS 46 H LYS 46 23.570 26.411 24.710 285 HA LYS 46 HA LYS 46 25.999 28.122 25.020 286 1HB LYS 46 2HB LYS 46 27.267 27.247 23.557 287 2HB LYS 46 3HB LYS 46 26.334 25.801 23.960 288 1HG LYS 46 2HG LYS 46 26.111 27.591 21.606 289 2HG LYS 46 3HG LYS 46 26.655 25.855 21.702 290 1HD LYS 46 2HD LYS 46 24.628 25.173 21.272 291 2HD LYS 46 3HD LYS 46 24.231 25.906 22.860 292 1HE LYS 46 2HE LYS 46 24.141 28.088 21.529 293 2HE LYS 46 3HE LYS 46 23.680 27.023 20.160 294 1HZ LYS 46 1HZ LYS 46 22.323 26.397 22.643 295 2HZ LYS 46 2HZ LYS 46 21.679 26.693 21.107 296 3HZ LYS 46 3HZ LYS 46 22.049 27.920 22.223 297 H GLN 47 H GLN 47 26.268 29.676 23.328 298 HA GLN 47 HA GLN 47 24.015 30.595 21.728 299 1HB GLN 47 2HB GLN 47 24.448 31.750 24.409 300 2HB GLN 47 3HB GLN 47 24.738 32.954 23.166 301 1HG GLN 47 2HG GLN 47 22.670 32.322 22.089 302 2HG GLN 47 3HG GLN 47 22.260 31.285 23.459 303 1HE2 GLN 47 1HE2 GLN 47 20.257 32.892 23.248 304 2HE2 GLN 47 2HE2 GLN 47 20.512 34.227 24.373 Start of MODEL 5 1 1H GLY 1 H GLY 1 26.081 33.650 34.549 2 1HA GLY 1 2HA GLY 1 26.174 31.300 35.109 3 2HA GLY 1 3HA GLY 1 26.713 31.538 33.440 4 H VAL 2 H VAL 2 27.573 29.337 34.259 5 HA VAL 2 HA VAL 2 30.288 29.637 35.496 6 HB VAL 2 HB VAL 2 28.726 27.318 34.839 7 1HG1 VAL 2 1HG1 VAL 2 31.053 27.297 36.704 8 2HG1 VAL 2 2HG1 VAL 2 29.951 25.918 36.383 9 3HG1 VAL 2 3HG1 VAL 2 30.942 26.517 35.094 10 1HG2 VAL 2 1HG2 VAL 2 27.392 28.398 36.370 11 2HG2 VAL 2 2HG2 VAL 2 28.023 26.864 36.972 12 3HG2 VAL 2 3HG2 VAL 2 28.798 28.440 37.512 13 HA HYP 3 HA HYP 3 31.532 28.426 31.344 14 1HB HYP 3 3HB HYP 3 33.980 28.355 31.368 15 2HB HYP 3 2HB HYP 3 33.980 27.200 32.705 16 1HD HYP 3 3HD HYP 3 32.185 29.763 34.862 17 2HD HYP 3 2HD HYP 3 32.682 28.067 35.012 18 HOD HYP 3 HOD HYP 3 34.394 30.636 32.386 19 HG HYP 3 HG HYP 3 34.637 29.043 33.954 20 H CYS 4 H CYS 4 30.648 26.862 30.258 21 HA CYS 4 HA CYS 4 31.421 24.155 30.891 22 1HB CYS 4 2HB CYS 4 29.702 24.481 32.518 23 2HB CYS 4 3HB CYS 4 28.607 24.907 31.159 24 H ARG 5 H ARG 5 31.966 23.552 29.157 25 HA ARG 5 HA ARG 5 31.445 24.010 26.501 26 1HB ARG 5 2HB ARG 5 32.543 21.868 26.235 27 2HB ARG 5 3HB ARG 5 33.424 23.099 27.074 28 1HG ARG 5 2HG ARG 5 32.860 21.899 29.167 29 2HG ARG 5 3HG ARG 5 31.971 20.717 28.076 30 1HD ARG 5 2HD ARG 5 34.201 19.834 28.584 31 2HD ARG 5 3HD ARG 5 34.015 20.353 26.873 32 HE ARG 5 HE ARG 5 35.473 21.996 27.079 33 1HH1 ARG 5 1HH1 ARG 5 35.449 20.285 30.168 34 2HH1 ARG 5 2HH1 ARG 5 36.896 21.058 30.731 35 1HH2 ARG 5 1HH2 ARG 5 37.070 22.799 27.686 36 2HH2 ARG 5 2HH2 ARG 5 38.092 22.415 29.086 37 H CYS 6 H CYS 6 31.084 22.327 25.033 38 HA CYS 6 HA CYS 6 28.344 21.141 25.325 39 1HB CYS 6 2HB CYS 6 29.833 21.415 22.700 40 2HB CYS 6 3HB CYS 6 28.085 21.324 23.049 41 H ASP 7 H ASP 7 28.510 19.072 23.570 42 HA ASP 7 HA ASP 7 30.218 17.092 24.974 43 1HB ASP 7 2HB ASP 7 28.034 16.379 24.288 44 2HB ASP 7 3HB ASP 7 28.302 16.901 22.617 45 H SER 8 H SER 8 29.843 18.253 21.699 46 HA SER 8 HA SER 8 32.428 17.421 20.694 47 1HB SER 8 2HB SER 8 30.284 17.458 19.413 48 2HB SER 8 3HB SER 8 30.295 19.230 19.485 49 HG SER 8 HG SER 8 32.338 19.133 18.444 50 H ASP 9 H ASP 9 32.668 19.383 23.023 51 HA ASP 9 HA ASP 9 33.200 21.995 22.193 52 1HB ASP 9 2HB ASP 9 32.955 21.137 24.496 53 2HB ASP 9 3HB ASP 9 34.525 20.403 24.427 54 H GLY 10 H GLY 10 34.945 19.389 21.197 55 1HA GLY 10 2HA GLY 10 37.479 20.799 20.823 56 2HA GLY 10 3HA GLY 10 37.065 19.111 20.318 57 HA PRO 11 HA PRO 11 36.940 20.175 16.201 58 1HB PRO 11 2HB PRO 11 34.812 18.532 15.313 59 2HB PRO 11 3HB PRO 11 36.495 17.998 15.624 60 1HG PRO 11 2HG PRO 11 34.210 18.084 17.653 61 2HG PRO 11 3HG PRO 11 35.221 16.641 17.218 62 1HD PRO 11 2HD PRO 11 35.687 18.017 19.318 63 2HD PRO 11 3HD PRO 11 37.095 17.722 18.235 64 H SER 12 H SER 12 34.491 21.125 18.208 65 HA SER 12 HA SER 12 32.866 22.550 16.090 66 1HB SER 12 2HB SER 12 31.678 21.288 17.937 67 2HB SER 12 3HB SER 12 32.276 22.551 19.034 68 HG SER 12 HG SER 12 31.335 24.038 17.398 69 H VAL 13 H VAL 13 35.555 23.240 17.997 70 HA VAL 13 HA VAL 13 35.353 26.110 17.293 71 HB VAL 13 HB VAL 13 36.111 25.692 20.116 72 1HG1 VAL 13 1HG1 VAL 13 35.632 27.872 19.063 73 2HG1 VAL 13 2HG1 VAL 13 33.974 27.337 18.724 74 3HG1 VAL 13 3HG1 VAL 13 34.523 27.565 20.410 75 1HG2 VAL 13 1HG2 VAL 13 33.199 25.031 19.481 76 2HG2 VAL 13 2HG2 VAL 13 34.394 23.879 20.052 77 3HG2 VAL 13 3HG2 VAL 13 33.936 25.245 21.099 78 H HIS 14 H HIS 14 37.415 27.196 18.442 79 HA HIS 14 HA HIS 14 39.772 25.893 17.360 80 1HB HIS 14 2HB HIS 14 40.900 27.745 18.769 81 2HB HIS 14 3HB HIS 14 39.993 28.156 17.286 82 HD1 HIS 14 HD1 HIS 14 40.104 28.918 20.964 83 HD2 HIS 14 HD2 HIS 14 37.555 29.403 17.649 84 HE1 HIS 14 HE1 HIS 14 38.212 30.510 21.701 85 H GLY 15 H GLY 15 38.146 25.360 20.210 86 1HA GLY 15 2HA GLY 15 38.586 24.143 22.107 87 2HA GLY 15 3HA GLY 15 39.941 23.499 21.150 88 H ASN 16 H ASN 16 39.112 26.319 23.165 89 HA ASN 16 HA ASN 16 41.756 26.131 24.546 90 1HB ASN 16 2HB ASN 16 40.622 28.544 23.087 91 2HB ASN 16 3HB ASN 16 41.561 28.767 24.560 92 1HD2 ASN 16 1HD2 ASN 16 41.871 26.874 21.490 93 2HD2 ASN 16 2HD2 ASN 16 43.541 27.391 21.299 94 H THR 17 H THR 17 38.673 27.915 24.465 95 HA THR 17 HA THR 17 38.147 27.230 27.343 96 HB THR 17 HB THR 17 37.449 29.624 27.672 97 HG1 THR 17 HG1 THR 17 37.054 30.059 25.440 98 1HG2 THR 17 1HG2 THR 17 39.782 28.971 28.214 99 2HG2 THR 17 2HG2 THR 17 39.639 30.676 27.719 100 3HG2 THR 17 3HG2 THR 17 40.280 29.472 26.576 101 H LEU 18 H LEU 18 36.377 27.256 28.106 102 HA LEU 18 HA LEU 18 34.204 26.182 27.040 103 1HB LEU 18 2HB LEU 18 34.799 27.706 29.527 104 2HB LEU 18 3HB LEU 18 33.240 26.858 29.314 105 HG LEU 18 HG LEU 18 35.736 25.310 28.595 106 1HD1 LEU 18 1HD1 LEU 18 36.330 24.839 30.777 107 2HD1 LEU 18 2HD1 LEU 18 34.916 25.714 31.437 108 3HD1 LEU 18 3HD1 LEU 18 36.222 26.620 30.619 109 1HD2 LEU 18 1HD2 LEU 18 34.345 23.507 29.333 110 2HD2 LEU 18 2HD2 LEU 18 33.474 24.651 28.340 111 3HD2 LEU 18 3HD2 LEU 18 33.194 24.717 30.115 112 H SER 19 H SER 19 33.607 27.417 25.045 113 HA SER 19 HA SER 19 32.482 30.086 25.202 114 1HB SER 19 2HB SER 19 31.541 29.540 22.965 115 2HB SER 19 3HB SER 19 33.282 29.199 23.069 116 HG SER 19 HG SER 19 31.808 27.521 22.132 117 H GLY 20 H GLY 20 31.358 26.958 25.972 118 1HA GLY 20 2HA GLY 20 28.470 27.579 25.919 119 2HA GLY 20 3HA GLY 20 29.219 26.053 26.433 120 H THR 21 H THR 21 27.226 27.280 27.980 121 HA THR 21 HA THR 21 28.700 27.996 30.446 122 HB THR 21 HB THR 21 26.388 29.594 29.260 123 HG1 THR 21 HG1 THR 21 29.035 29.743 28.877 124 1HG2 THR 21 1HG2 THR 21 26.773 31.238 30.889 125 2HG2 THR 21 2HG2 THR 21 28.021 30.245 31.705 126 3HG2 THR 21 3HG2 THR 21 26.319 29.697 31.688 127 H VAL 22 H VAL 22 27.667 27.255 32.349 128 HA VAL 22 HA VAL 22 25.256 25.735 31.958 129 HB VAL 22 HB VAL 22 26.818 24.380 32.722 130 1HG1 VAL 22 1HG1 VAL 22 27.978 24.448 34.750 131 2HG1 VAL 22 2HG1 VAL 22 28.427 25.776 33.606 132 3HG1 VAL 22 3HG1 VAL 22 27.226 26.029 34.999 133 1HG2 VAL 22 1HG2 VAL 22 25.140 25.008 35.211 134 2HG2 VAL 22 2HG2 VAL 22 24.408 24.412 33.694 135 3HG2 VAL 22 3HG2 VAL 22 25.635 23.448 34.412 136 H TRP 23 H TRP 23 23.730 26.005 32.956 137 HA TRP 23 HA TRP 23 22.990 28.302 34.676 138 1HB TRP 23 2HB TRP 23 21.129 27.229 32.513 139 2HB TRP 23 3HB TRP 23 21.100 28.818 33.265 140 HD1 TRP 23 HD1 TRP 23 22.674 26.758 30.495 141 HE1 TRP 23 HE1 TRP 23 24.024 28.287 28.897 142 HE3 TRP 23 HE3 TRP 23 22.485 31.120 33.099 143 HZ2 TRP 23 HZ2 TRP 23 24.588 31.030 28.643 144 HZ3 TRP 23 HZ3 TRP 23 23.310 33.266 32.078 145 HH2 TRP 23 HH2 TRP 23 24.308 33.200 29.767 146 H VAL 24 H VAL 24 22.304 27.481 36.410 147 HA VAL 24 HA VAL 24 21.768 24.617 36.403 148 HB VAL 24 HB VAL 24 22.034 24.477 38.523 149 1HG1 VAL 24 1HG1 VAL 24 23.842 26.822 37.856 150 2HG1 VAL 24 2HG1 VAL 24 24.195 25.353 38.849 151 3HG1 VAL 24 3HG1 VAL 24 24.009 25.260 37.037 152 1HG2 VAL 24 1HG2 VAL 24 21.799 26.191 40.214 153 2HG2 VAL 24 2HG2 VAL 24 21.339 27.364 38.937 154 3HG2 VAL 24 3HG2 VAL 24 20.303 25.936 39.258 155 H GLY 25 H GLY 25 19.905 23.743 37.524 156 1HA GLY 25 2HA GLY 25 17.610 23.733 37.873 157 2HA GLY 25 3HA GLY 25 17.583 25.481 37.580 158 H SER 26 H SER 26 18.243 26.055 35.158 159 HA SER 26 HA SER 26 18.072 24.261 33.025 160 1HB SER 26 2HB SER 26 15.545 24.511 33.752 161 2HB SER 26 3HB SER 26 15.651 26.047 32.871 162 HG SER 26 HG SER 26 16.633 23.596 31.754 163 H CYS 27 H CYS 27 17.918 25.304 30.887 164 HA CYS 27 HA CYS 27 20.045 27.170 30.465 165 1HB CYS 27 2HB CYS 27 18.909 25.253 29.028 166 2HB CYS 27 3HB CYS 27 17.796 26.521 28.537 167 H ALA 28 H ALA 28 20.216 29.018 29.480 168 HA ALA 28 HA ALA 28 18.559 31.211 30.269 169 1HB ALA 28 1HB ALA 28 20.966 30.777 28.446 170 2HB ALA 28 2HB ALA 28 20.314 32.403 28.811 171 3HB ALA 28 3HB ALA 28 20.962 31.364 30.097 172 H SER 29 H SER 29 17.001 32.205 29.197 173 HA SER 29 HA SER 29 15.204 31.255 27.463 174 1HB SER 29 2HB SER 29 16.101 34.142 27.641 175 2HB SER 29 3HB SER 29 14.569 33.607 26.916 176 HG SER 29 HG SER 29 15.418 33.243 29.606 177 H GLY 30 H GLY 30 18.156 32.647 26.174 178 1HA GLY 30 2HA GLY 30 17.075 32.528 23.366 179 2HA GLY 30 3HA GLY 30 18.412 33.529 23.927 180 H TRP 31 H TRP 31 18.786 30.502 25.269 181 HA TRP 31 HA TRP 31 20.850 29.819 23.203 182 1HB TRP 31 2HB TRP 31 20.762 28.882 26.058 183 2HB TRP 31 3HB TRP 31 22.024 28.641 24.937 184 HD1 TRP 31 HD1 TRP 31 20.591 32.188 25.808 185 HE1 TRP 31 HE1 TRP 31 22.531 33.634 26.455 186 HE3 TRP 31 HE3 TRP 31 24.183 28.651 25.852 187 HZ2 TRP 31 HZ2 TRP 31 25.385 33.346 26.693 188 HZ3 TRP 31 HZ3 TRP 31 26.556 29.222 26.537 189 HH2 TRP 31 HH2 TRP 31 27.176 31.528 26.886 190 H HIS 32 H HIS 32 21.449 27.299 23.441 191 HA HIS 32 HA HIS 32 19.028 25.624 23.804 192 1HB HIS 32 2HB HIS 32 20.450 25.353 21.130 193 2HB HIS 32 3HB HIS 32 18.974 24.588 21.662 194 HD1 HIS 32 HD1 HIS 32 16.794 25.707 20.712 195 HD2 HIS 32 HD2 HIS 32 20.256 28.117 20.750 196 HE1 HIS 32 HE1 HIS 32 16.203 27.864 19.463 197 H LYS 33 H LYS 33 19.538 23.311 23.471 198 HA LYS 33 HA LYS 33 21.889 22.525 24.951 199 1HB LYS 33 2HB LYS 33 19.554 21.099 23.861 200 2HB LYS 33 3HB LYS 33 21.057 20.184 23.717 201 1HG LYS 33 2HG LYS 33 20.220 19.729 25.940 202 2HG LYS 33 3HG LYS 33 21.610 20.813 26.151 203 1HD LYS 33 2HD LYS 33 20.020 22.780 26.149 204 2HD LYS 33 3HD LYS 33 18.654 21.624 26.006 205 1HE LYS 33 2HE LYS 33 18.802 21.674 28.293 206 2HE LYS 33 3HE LYS 33 20.021 20.429 27.864 207 1HZ LYS 33 1HZ LYS 33 20.570 23.265 28.421 208 2HZ LYS 33 2HZ LYS 33 21.738 22.164 28.013 209 3HZ LYS 33 3HZ LYS 33 20.881 22.055 29.430 210 H CYS 34 H CYS 34 23.796 22.548 24.270 211 HA CYS 34 HA CYS 34 24.519 22.210 21.404 212 1HB CYS 34 2HB CYS 34 25.474 23.891 23.136 213 2HB CYS 34 3HB CYS 34 26.300 22.527 23.838 214 H ASN 35 H ASN 35 23.621 20.095 23.944 215 HA ASN 35 HA ASN 35 25.059 17.849 22.744 216 1HB ASN 35 2HB ASN 35 26.131 17.287 24.916 217 2HB ASN 35 3HB ASN 35 26.750 18.793 24.240 218 1HD2 ASN 35 1HD2 ASN 35 26.414 17.580 27.039 219 2HD2 ASN 35 2HD2 ASN 35 25.119 18.551 27.662 220 H ASP 36 H ASP 36 24.544 15.813 23.957 221 HA ASP 36 HA ASP 36 21.711 15.523 24.265 222 1HB ASP 36 2HB ASP 36 23.483 13.914 23.247 223 2HB ASP 36 3HB ASP 36 23.930 13.532 24.910 224 H GLU 37 H GLU 37 24.379 15.414 26.444 225 HA GLU 37 HA GLU 37 22.769 14.979 28.857 226 1HB GLU 37 2HB GLU 37 24.914 14.873 30.012 227 2HB GLU 37 3HB GLU 37 24.896 13.783 28.602 228 1HG GLU 37 2HG GLU 37 25.938 15.709 27.292 229 2HG GLU 37 3HG GLU 37 26.176 16.484 28.865 230 H TYR 38 H TYR 38 23.629 16.603 30.834 231 HA TYR 38 HA TYR 38 23.861 19.397 29.843 232 1HB TYR 38 2HB TYR 38 22.150 19.087 32.106 233 2HB TYR 38 3HB TYR 38 22.021 20.051 30.559 234 HD1 TYR 38 HD1 TYR 38 21.076 19.211 28.680 235 HD2 TYR 38 HD2 TYR 38 21.183 16.948 32.291 236 HE1 TYR 38 HE1 TYR 38 19.827 17.337 27.520 237 HE2 TYR 38 HE2 TYR 38 19.998 15.069 31.199 238 HH TYR 38 HH TYR 38 19.813 14.994 27.776 239 H ASN 39 H ASN 39 23.325 17.637 32.902 240 HA ASN 39 HA ASN 39 25.866 17.774 33.989 241 1HB ASN 39 2HB ASN 39 24.920 20.397 33.855 242 2HB ASN 39 3HB ASN 39 24.579 19.887 35.501 243 1HD2 ASN 39 1HD2 ASN 39 26.945 20.992 33.417 244 2HD2 ASN 39 2HD2 ASN 39 28.359 20.692 34.445 245 H ILE 40 H ILE 40 25.937 17.836 36.380 246 HA ILE 40 HA ILE 40 24.946 15.750 37.680 247 HB ILE 40 HB ILE 40 26.890 17.209 38.128 248 1HG1 ILE 40 2HG1 ILE 40 26.888 17.290 40.508 249 2HG1 ILE 40 3HG1 ILE 40 25.119 17.219 40.593 250 1HG2 ILE 40 1HG2 ILE 40 25.580 19.343 37.775 251 2HG2 ILE 40 2HG2 ILE 40 24.926 19.105 39.433 252 3HG2 ILE 40 3HG2 ILE 40 26.678 19.340 39.189 253 1HD1 ILE 40 1HD1 ILE 40 26.356 14.965 40.956 254 2HD1 ILE 40 2HD1 ILE 40 25.074 14.993 39.717 255 3HD1 ILE 40 3HD1 ILE 40 26.768 15.078 39.211 256 H ALA 41 H ALA 41 23.784 18.833 37.583 257 HA ALA 41 HA ALA 41 21.146 18.383 38.848 258 1HB ALA 41 1HB ALA 41 22.624 19.214 40.596 259 2HB ALA 41 2HB ALA 41 23.240 20.484 39.516 260 3HB ALA 41 3HB ALA 41 21.570 20.571 40.104 261 H TYR 42 H TYR 42 23.336 20.609 37.358 262 HA TYR 42 HA TYR 42 21.671 22.629 36.326 263 1HB TYR 42 2HB TYR 42 24.408 22.065 35.405 264 2HB TYR 42 3HB TYR 42 23.565 23.565 35.793 265 HD1 TYR 42 HD2 TYR 42 22.833 22.583 38.647 266 HD2 TYR 42 HD1 TYR 42 26.340 23.052 36.241 267 HE1 TYR 42 HE2 TYR 42 23.987 23.187 40.545 268 HE2 TYR 42 HE1 TYR 42 27.684 23.487 38.234 269 HH TYR 42 HH TYR 42 27.633 23.610 40.666 270 H GLU 43 H GLU 43 22.712 23.346 34.114 271 HA GLU 43 HA GLU 43 22.675 21.258 32.062 272 1HB GLU 43 2HB GLU 43 20.646 23.364 32.329 273 2HB GLU 43 3HB GLU 43 21.186 23.027 30.773 274 1HG GLU 43 2HG GLU 43 20.080 20.851 30.820 275 2HG GLU 43 3HG GLU 43 19.772 21.007 32.580 276 H CYS 44 H CYS 44 24.076 21.595 30.634 277 HA CYS 44 HA CYS 44 25.318 24.255 30.262 278 1HB CYS 44 2HB CYS 44 26.147 21.509 29.292 279 2HB CYS 44 3HB CYS 44 27.080 23.008 29.079 280 H CYS 45 H CYS 45 25.215 25.396 28.440 281 HA CYS 45 HA CYS 45 23.813 24.520 25.958 282 1HB CYS 45 2HB CYS 45 23.035 27.009 27.521 283 2HB CYS 45 3HB CYS 45 22.531 26.588 25.876 284 H LYS 46 H LYS 46 24.062 26.236 24.374 285 HA LYS 46 HA LYS 46 26.501 27.899 24.676 286 1HB LYS 46 2HB LYS 46 27.744 26.931 23.212 287 2HB LYS 46 3HB LYS 46 26.750 25.497 23.558 288 1HG LYS 46 2HG LYS 46 26.481 27.420 21.304 289 2HG LYS 46 3HG LYS 46 27.091 25.737 21.258 290 1HD LYS 46 2HD LYS 46 25.123 24.890 21.011 291 2HD LYS 46 3HD LYS 46 24.662 25.681 22.543 292 1HE LYS 46 2HE LYS 46 24.560 27.805 21.058 293 2HE LYS 46 3HE LYS 46 24.124 26.635 19.776 294 1HZ LYS 46 1HZ LYS 46 22.856 27.020 22.458 295 2HZ LYS 46 2HZ LYS 46 22.469 25.758 21.490 296 3HZ LYS 46 3HZ LYS 46 22.124 27.320 20.997 297 H GLN 47 H GLN 47 26.748 29.427 22.921 298 HA GLN 47 HA GLN 47 24.384 30.242 21.408 299 1HB GLN 47 2HB GLN 47 24.906 31.439 23.944 300 2HB GLN 47 3HB GLN 47 25.357 32.645 22.739 301 1HG GLN 47 2HG GLN 47 23.261 32.214 21.592 302 2HG GLN 47 3HG GLN 47 22.735 31.192 22.920 303 1HE2 GLN 47 1HE2 GLN 47 20.909 32.774 22.896 304 2HE2 GLN 47 2HE2 GLN 47 21.221 34.049 24.091 Start of MODEL 6 1 1H GLY 1 H GLY 1 26.621 33.642 32.986 2 1HA GLY 1 2HA GLY 1 26.500 31.664 34.437 3 2HA GLY 1 3HA GLY 1 26.814 31.234 32.749 4 H VAL 2 H VAL 2 27.550 29.273 34.035 5 HA VAL 2 HA VAL 2 30.199 29.511 35.355 6 HB VAL 2 HB VAL 2 28.494 27.242 34.780 7 1HG1 VAL 2 1HG1 VAL 2 30.658 27.358 36.887 8 2HG1 VAL 2 2HG1 VAL 2 29.506 26.017 36.705 9 3HG1 VAL 2 3HG1 VAL 2 30.641 26.328 35.423 10 1HG2 VAL 2 1HG2 VAL 2 27.154 28.632 36.041 11 2HG2 VAL 2 2HG2 VAL 2 27.556 27.102 36.828 12 3HG2 VAL 2 3HG2 VAL 2 28.436 28.639 37.322 13 HA HYP 3 HA HYP 3 31.845 27.723 31.591 14 1HB HYP 3 3HB HYP 3 34.264 27.403 31.930 15 2HB HYP 3 2HB HYP 3 33.977 26.465 33.389 16 1HD HYP 3 3HD HYP 3 32.171 29.454 34.923 17 2HD HYP 3 2HD HYP 3 32.490 27.768 35.371 18 HOD HYP 3 HOD HYP 3 33.943 30.461 33.662 19 HG HYP 3 HG HYP 3 34.648 28.428 34.459 20 H CYS 4 H CYS 4 31.063 26.048 30.508 21 HA CYS 4 HA CYS 4 31.550 23.395 31.591 22 1HB CYS 4 2HB CYS 4 29.550 24.108 32.742 23 2HB CYS 4 3HB CYS 4 28.793 24.404 31.148 24 H ARG 5 H ARG 5 31.934 21.926 29.999 25 HA ARG 5 HA ARG 5 31.835 22.600 27.247 26 1HB ARG 5 2HB ARG 5 32.674 20.277 28.963 27 2HB ARG 5 3HB ARG 5 32.375 19.886 27.247 28 1HG ARG 5 2HG ARG 5 33.783 21.472 26.462 29 2HG ARG 5 3HG ARG 5 34.088 22.171 28.018 30 1HD ARG 5 2HD ARG 5 34.686 19.291 27.520 31 2HD ARG 5 3HD ARG 5 35.846 20.623 27.141 32 HE ARG 5 HE ARG 5 34.913 20.357 29.894 33 1HH1 ARG 5 1HH1 ARG 5 37.298 19.305 27.504 34 2HH1 ARG 5 2HH1 ARG 5 38.583 19.239 28.669 35 1HH2 ARG 5 1HH2 ARG 5 36.296 19.925 31.204 36 2HH2 ARG 5 2HH2 ARG 5 37.990 19.496 30.956 37 H CYS 6 H CYS 6 31.404 20.885 25.825 38 HA CYS 6 HA CYS 6 28.535 20.101 25.606 39 1HB CYS 6 2HB CYS 6 30.318 21.388 23.484 40 2HB CYS 6 3HB CYS 6 28.653 20.847 23.198 41 H ASP 7 H ASP 7 28.264 18.412 23.931 42 HA ASP 7 HA ASP 7 29.506 15.990 24.542 43 1HB ASP 7 2HB ASP 7 27.335 16.150 23.532 44 2HB ASP 7 3HB ASP 7 27.979 16.918 22.087 45 H SER 8 H SER 8 30.199 18.051 21.798 46 HA SER 8 HA SER 8 32.229 16.398 20.616 47 1HB SER 8 2HB SER 8 32.319 18.304 19.035 48 2HB SER 8 3HB SER 8 30.638 17.882 19.432 49 HG SER 8 HG SER 8 31.070 20.130 19.440 50 H ASP 9 H ASP 9 32.321 18.766 23.018 51 HA ASP 9 HA ASP 9 33.650 20.386 23.627 52 1HB ASP 9 2HB ASP 9 34.554 19.783 25.442 53 2HB ASP 9 3HB ASP 9 33.772 18.259 25.112 54 H GLY 10 H GLY 10 34.042 20.720 21.195 55 1HA GLY 10 2HA GLY 10 36.420 22.070 20.772 56 2HA GLY 10 3HA GLY 10 36.656 20.398 20.129 57 HA PRO 11 HA PRO 11 33.095 22.534 17.831 58 1HB PRO 11 2HB PRO 11 32.844 25.329 18.132 59 2HB PRO 11 3HB PRO 11 31.997 24.105 19.121 60 1HG PRO 11 2HG PRO 11 34.770 25.289 19.730 61 2HG PRO 11 3HG PRO 11 33.303 25.315 20.806 62 1HD PRO 11 2HD PRO 11 35.152 23.555 21.093 63 2HD PRO 11 3HD PRO 11 33.459 22.966 21.020 64 H SER 12 H SER 12 36.279 23.456 17.781 65 HA SER 12 HA SER 12 37.802 23.873 16.160 66 1HB SER 12 2HB SER 12 36.280 22.256 14.877 67 2HB SER 12 3HB SER 12 35.578 23.737 14.148 68 HG SER 12 HG SER 12 37.620 24.259 13.386 69 H VAL 13 H VAL 13 36.574 25.897 17.314 70 HA VAL 13 HA VAL 13 37.163 28.160 15.434 71 HB VAL 13 HB VAL 13 35.174 29.326 16.354 72 1HG1 VAL 13 1HG1 VAL 13 33.619 28.070 15.000 73 2HG1 VAL 13 2HG1 VAL 13 35.247 27.985 14.278 74 3HG1 VAL 13 3HG1 VAL 13 34.608 26.579 15.148 75 1HG2 VAL 13 1HG2 VAL 13 33.493 27.958 17.575 76 2HG2 VAL 13 2HG2 VAL 13 34.668 26.614 17.690 77 3HG2 VAL 13 3HG2 VAL 13 34.982 28.163 18.517 78 H HIS 14 H HIS 14 36.565 30.195 17.191 79 HA HIS 14 HA HIS 14 39.034 30.590 18.571 80 1HB HIS 14 2HB HIS 14 37.815 32.680 19.309 81 2HB HIS 14 3HB HIS 14 38.144 32.456 17.592 82 HD1 HIS 14 HD1 HIS 14 35.191 32.242 20.018 83 HD2 HIS 14 HD2 HIS 14 36.033 32.220 15.909 84 HE1 HIS 14 HE1 HIS 14 32.922 32.490 18.805 85 H GLY 15 H GLY 15 39.198 28.982 20.011 86 1HA GLY 15 2HA GLY 15 39.525 28.790 22.433 87 2HA GLY 15 3HA GLY 15 37.940 29.499 22.672 88 H ASN 16 H ASN 16 39.676 26.486 21.966 89 HA ASN 16 HA ASN 16 37.388 24.818 21.657 90 1HB ASN 16 2HB ASN 16 40.079 23.938 22.797 91 2HB ASN 16 3HB ASN 16 38.909 22.933 21.954 92 1HD2 ASN 16 1HD2 ASN 16 41.797 24.156 21.581 93 2HD2 ASN 16 2HD2 ASN 16 41.823 24.303 19.838 94 H THR 17 H THR 17 38.833 25.981 24.393 95 HA THR 17 HA THR 17 38.066 24.369 26.635 96 HB THR 17 HB THR 17 39.809 26.099 26.564 97 HG1 THR 17 HG1 THR 17 39.450 26.771 28.608 98 1HG2 THR 17 1HG2 THR 17 39.127 28.435 26.731 99 2HG2 THR 17 2HG2 THR 17 37.410 27.933 26.669 100 3HG2 THR 17 3HG2 THR 17 38.434 27.704 25.252 101 H LEU 18 H LEU 18 36.779 25.654 28.400 102 HA LEU 18 HA LEU 18 34.106 25.091 28.032 103 1HB LEU 18 2HB LEU 18 35.542 26.499 30.205 104 2HB LEU 18 3HB LEU 18 33.835 25.894 30.299 105 HG LEU 18 HG LEU 18 36.120 24.039 29.604 106 1HD1 LEU 18 1HD1 LEU 18 36.496 25.213 31.707 107 2HD1 LEU 18 2HD1 LEU 18 36.060 23.481 31.983 108 3HD1 LEU 18 3HD1 LEU 18 34.842 24.774 32.206 109 1HD2 LEU 18 1HD2 LEU 18 34.464 22.364 30.114 110 2HD2 LEU 18 2HD2 LEU 18 33.591 23.617 29.235 111 3HD2 LEU 18 3HD2 LEU 18 33.429 23.625 30.967 112 H SER 19 H SER 19 34.275 26.657 25.958 113 HA SER 19 HA SER 19 33.407 29.416 26.274 114 1HB SER 19 2HB SER 19 34.631 28.311 24.273 115 2HB SER 19 3HB SER 19 33.072 27.627 23.810 116 HG SER 19 HG SER 19 33.626 29.685 22.850 117 H GLY 20 H GLY 20 31.998 26.289 26.405 118 1HA GLY 20 2HA GLY 20 29.229 26.970 25.868 119 2HA GLY 20 3HA GLY 20 29.814 25.416 26.533 120 H THR 21 H THR 21 27.621 26.643 27.867 121 HA THR 21 HA THR 21 28.962 27.461 30.403 122 HB THR 21 HB THR 21 26.734 29.068 29.070 123 HG1 THR 21 HG1 THR 21 29.484 29.169 28.844 124 1HG2 THR 21 1HG2 THR 21 28.482 29.797 31.395 125 2HG2 THR 21 2HG2 THR 21 26.735 29.387 31.456 126 3HG2 THR 21 3HG2 THR 21 27.293 30.839 30.562 127 H VAL 22 H VAL 22 27.836 26.943 32.279 128 HA VAL 22 HA VAL 22 25.331 25.583 31.973 129 HB VAL 22 HB VAL 22 26.717 24.197 32.835 130 1HG1 VAL 22 1HG1 VAL 22 27.247 25.698 35.196 131 2HG1 VAL 22 2HG1 VAL 22 27.870 24.120 34.752 132 3HG1 VAL 22 3HG1 VAL 22 28.417 25.519 33.756 133 1HG2 VAL 22 1HG2 VAL 22 25.444 23.488 34.629 134 2HG2 VAL 22 2HG2 VAL 22 24.958 25.156 35.173 135 3HG2 VAL 22 3HG2 VAL 22 24.318 24.407 33.698 136 H TRP 23 H TRP 23 23.835 26.066 32.846 137 HA TRP 23 HA TRP 23 23.157 28.543 34.318 138 1HB TRP 23 2HB TRP 23 21.393 27.287 32.182 139 2HB TRP 23 3HB TRP 23 21.321 28.943 32.811 140 HD1 TRP 23 HD1 TRP 23 22.895 26.713 30.214 141 HE1 TRP 23 HE1 TRP 23 24.405 28.090 28.613 142 HE3 TRP 23 HE3 TRP 23 22.897 31.165 32.670 143 HZ2 TRP 23 HZ2 TRP 23 25.214 30.782 28.337 144 HZ3 TRP 23 HZ3 TRP 23 23.903 33.213 31.627 145 HH2 TRP 23 HH2 TRP 23 25.013 32.996 29.364 146 H VAL 24 H VAL 24 21.776 28.050 35.973 147 HA VAL 24 HA VAL 24 21.261 25.151 36.200 148 HB VAL 24 HB VAL 24 21.587 25.059 38.211 149 1HG1 VAL 24 1HG1 VAL 24 23.796 25.882 38.616 150 2HG1 VAL 24 2HG1 VAL 24 23.652 25.676 36.824 151 3HG1 VAL 24 3HG1 VAL 24 23.530 27.286 37.551 152 1HG2 VAL 24 1HG2 VAL 24 19.968 26.580 39.041 153 2HG2 VAL 24 2HG2 VAL 24 21.505 26.588 39.966 154 3HG2 VAL 24 3HG2 VAL 24 21.130 27.924 38.827 155 H GLY 25 H GLY 25 19.351 24.491 37.215 156 1HA GLY 25 2HA GLY 25 17.082 24.668 37.670 157 2HA GLY 25 3HA GLY 25 17.202 26.421 37.435 158 H SER 26 H SER 26 18.244 26.455 34.787 159 HA SER 26 HA SER 26 17.147 24.806 32.749 160 1HB SER 26 2HB SER 26 15.011 25.942 33.428 161 2HB SER 26 3HB SER 26 15.796 27.511 33.101 162 HG SER 26 HG SER 26 14.812 27.066 31.250 163 H CYS 27 H CYS 27 17.547 25.813 30.623 164 HA CYS 27 HA CYS 27 20.179 27.161 30.349 165 1HB CYS 27 2HB CYS 27 19.104 25.311 28.853 166 2HB CYS 27 3HB CYS 27 18.123 26.618 28.181 167 H ALA 28 H ALA 28 20.641 28.854 29.077 168 HA ALA 28 HA ALA 28 19.254 31.299 29.663 169 1HB ALA 28 1HB ALA 28 21.696 30.423 28.099 170 2HB ALA 28 2HB ALA 28 21.235 32.145 28.213 171 3HB ALA 28 3HB ALA 28 21.603 31.210 29.666 172 H SER 29 H SER 29 17.971 32.444 28.450 173 HA SER 29 HA SER 29 16.052 31.864 26.848 174 1HB SER 29 2HB SER 29 16.061 34.140 25.938 175 2HB SER 29 3HB SER 29 16.442 34.090 27.680 176 HG SER 29 HG SER 29 18.350 34.909 27.283 177 H GLY 30 H GLY 30 18.899 33.019 25.162 178 1HA GLY 30 2HA GLY 30 17.867 32.056 22.527 179 2HA GLY 30 3HA GLY 30 19.230 33.151 22.823 180 H TRP 31 H TRP 31 19.456 30.347 24.698 181 HA TRP 31 HA TRP 31 21.622 29.343 22.888 182 1HB TRP 31 2HB TRP 31 21.265 28.757 25.801 183 2HB TRP 31 3HB TRP 31 22.596 28.314 24.814 184 HD1 TRP 31 HD1 TRP 31 21.274 31.992 25.386 185 HE1 TRP 31 HE1 TRP 31 23.352 33.400 25.878 186 HE3 TRP 31 HE3 TRP 31 24.724 28.301 25.649 187 HZ2 TRP 31 HZ2 TRP 31 26.175 32.961 26.284 188 HZ3 TRP 31 HZ3 TRP 31 27.087 28.773 26.379 189 HH2 TRP 31 HH2 TRP 31 27.829 31.072 26.610 190 H HIS 32 H HIS 32 22.035 26.837 23.334 191 HA HIS 32 HA HIS 32 19.574 25.306 23.892 192 1HB HIS 32 2HB HIS 32 20.825 24.868 21.164 193 2HB HIS 32 3HB HIS 32 19.332 24.198 21.794 194 HD1 HIS 32 HD1 HIS 32 17.113 25.725 21.445 195 HD2 HIS 32 HD2 HIS 32 20.786 27.524 20.515 196 HE1 HIS 32 HE1 HIS 32 16.562 27.866 20.167 197 H LYS 33 H LYS 33 19.902 23.016 23.698 198 HA LYS 33 HA LYS 33 22.130 21.994 25.141 199 1HB LYS 33 2HB LYS 33 19.662 20.864 24.090 200 2HB LYS 33 3HB LYS 33 21.023 19.756 23.850 201 1HG LYS 33 2HG LYS 33 20.280 19.342 26.094 202 2HG LYS 33 3HG LYS 33 21.788 20.278 26.251 203 1HD LYS 33 2HD LYS 33 20.407 22.393 26.406 204 2HD LYS 33 3HD LYS 33 18.927 21.376 26.308 205 1HE LYS 33 2HE LYS 33 19.262 21.390 28.583 206 2HE LYS 33 3HE LYS 33 20.156 19.955 28.033 207 1HZ LYS 33 1HZ LYS 33 22.212 21.310 28.071 208 2HZ LYS 33 2HZ LYS 33 21.456 21.307 29.550 209 3HZ LYS 33 3HZ LYS 33 21.328 22.608 28.582 210 H CYS 34 H CYS 34 24.078 22.040 24.480 211 HA CYS 34 HA CYS 34 24.859 21.350 21.719 212 1HB CYS 34 2HB CYS 34 27.035 22.035 22.474 213 2HB CYS 34 3HB CYS 34 25.835 23.219 22.931 214 H ASN 35 H ASN 35 23.869 19.492 24.291 215 HA ASN 35 HA ASN 35 25.390 17.134 23.467 216 1HB ASN 35 2HB ASN 35 26.040 16.662 25.794 217 2HB ASN 35 3HB ASN 35 26.817 18.121 25.169 218 1HD2 ASN 35 1HD2 ASN 35 26.360 17.339 27.943 219 2HD2 ASN 35 2HD2 ASN 35 24.894 18.181 28.360 220 H ASP 36 H ASP 36 24.544 15.246 24.930 221 HA ASP 36 HA ASP 36 21.631 15.186 24.795 222 1HB ASP 36 2HB ASP 36 23.204 13.314 24.100 223 2HB ASP 36 3HB ASP 36 23.606 13.095 25.796 224 H GLU 37 H GLU 37 24.012 14.753 27.297 225 HA GLU 37 HA GLU 37 22.128 14.824 29.514 226 1HB GLU 37 2HB GLU 37 24.145 14.688 30.915 227 2HB GLU 37 3HB GLU 37 24.145 13.424 29.664 228 1HG GLU 37 2HG GLU 37 25.647 14.721 28.271 229 2HG GLU 37 3HG GLU 37 25.529 16.069 29.388 230 H TYR 38 H TYR 38 23.131 16.517 31.446 231 HA TYR 38 HA TYR 38 23.682 19.149 30.185 232 1HB TYR 38 2HB TYR 38 21.959 19.323 32.381 233 2HB TYR 38 3HB TYR 38 21.913 20.026 30.702 234 HD1 TYR 38 HD1 TYR 38 21.020 18.650 28.905 235 HD2 TYR 38 HD2 TYR 38 20.548 17.707 33.052 236 HE1 TYR 38 HE1 TYR 38 19.448 16.850 28.289 237 HE2 TYR 38 HE2 TYR 38 18.926 15.912 32.490 238 HH TYR 38 HH TYR 38 17.833 14.791 30.767 239 H ASN 39 H ASN 39 22.892 17.833 33.400 240 HA ASN 39 HA ASN 39 25.413 17.813 34.571 241 1HB ASN 39 2HB ASN 39 24.722 20.487 34.137 242 2HB ASN 39 3HB ASN 39 24.250 20.184 35.801 243 1HD2 ASN 39 1HD2 ASN 39 26.766 20.935 33.816 244 2HD2 ASN 39 2HD2 ASN 39 28.128 20.580 34.874 245 H ILE 40 H ILE 40 25.379 18.073 36.941 246 HA ILE 40 HA ILE 40 24.177 16.237 38.390 247 HB ILE 40 HB ILE 40 26.145 17.681 38.844 248 1HG1 ILE 40 2HG1 ILE 40 25.961 18.023 41.215 249 2HG1 ILE 40 3HG1 ILE 40 24.198 18.027 41.151 250 1HG2 ILE 40 1HG2 ILE 40 24.978 19.810 38.152 251 2HG2 ILE 40 2HG2 ILE 40 24.154 19.769 39.749 252 3HG2 ILE 40 3HG2 ILE 40 25.924 19.938 39.669 253 1HD1 ILE 40 1HD1 ILE 40 25.844 15.675 40.147 254 2HD1 ILE 40 2HD1 ILE 40 25.283 15.789 41.860 255 3HD1 ILE 40 3HD1 ILE 40 24.115 15.713 40.508 256 H ALA 41 H ALA 41 23.101 19.321 37.848 257 HA ALA 41 HA ALA 41 20.385 19.005 38.961 258 1HB ALA 41 1HB ALA 41 22.454 21.082 39.691 259 2HB ALA 41 2HB ALA 41 20.742 21.256 40.130 260 3HB ALA 41 3HB ALA 41 21.703 19.909 40.785 261 H TYR 42 H TYR 42 22.720 21.031 37.491 262 HA TYR 42 HA TYR 42 21.254 23.089 36.203 263 1HB TYR 42 2HB TYR 42 24.029 22.304 35.619 264 2HB TYR 42 3HB TYR 42 23.236 23.871 35.771 265 HD1 TYR 42 HD2 TYR 42 22.110 23.117 38.602 266 HD2 TYR 42 HD1 TYR 42 25.883 23.384 36.608 267 HE1 TYR 42 HE2 TYR 42 23.058 23.851 40.600 268 HE2 TYR 42 HE1 TYR 42 26.959 24.040 38.672 269 HH TYR 42 HH TYR 42 26.589 24.219 41.250 270 H GLU 43 H GLU 43 22.488 23.590 34.045 271 HA GLU 43 HA GLU 43 22.552 21.339 32.143 272 1HB GLU 43 2HB GLU 43 20.663 23.586 32.098 273 2HB GLU 43 3HB GLU 43 21.274 23.070 30.600 274 1HG GLU 43 2HG GLU 43 20.015 20.937 30.859 275 2HG GLU 43 3HG GLU 43 19.516 21.425 32.502 276 H CYS 44 H CYS 44 24.027 21.488 30.761 277 HA CYS 44 HA CYS 44 25.477 24.026 30.267 278 1HB CYS 44 2HB CYS 44 26.163 21.165 29.551 279 2HB CYS 44 3HB CYS 44 27.212 22.575 29.339 280 H CYS 45 H CYS 45 25.336 25.153 28.488 281 HA CYS 45 HA CYS 45 24.153 24.113 25.934 282 1HB CYS 45 2HB CYS 45 23.407 26.761 27.235 283 2HB CYS 45 3HB CYS 45 22.868 26.157 25.655 284 H LYS 46 H LYS 46 24.467 25.870 24.286 285 HA LYS 46 HA LYS 46 27.016 27.354 24.594 286 1HB LYS 46 2HB LYS 46 28.250 26.302 23.220 287 2HB LYS 46 3HB LYS 46 27.185 24.946 23.638 288 1HG LYS 46 2HG LYS 46 27.133 26.640 21.220 289 2HG LYS 46 3HG LYS 46 27.585 24.885 21.397 290 1HD LYS 46 2HD LYS 46 25.557 24.258 21.028 291 2HD LYS 46 3HD LYS 46 25.137 25.119 22.534 292 1HE LYS 46 2HE LYS 46 25.215 27.200 20.958 293 2HE LYS 46 3HE LYS 46 24.669 26.012 19.739 294 1HZ LYS 46 1HZ LYS 46 22.653 26.360 20.653 295 2HZ LYS 46 2HZ LYS 46 23.290 27.135 22.006 296 3HZ LYS 46 3HZ LYS 46 23.168 25.514 22.026 297 H GLN 47 H GLN 47 27.490 28.756 22.825 298 HA GLN 47 HA GLN 47 25.343 29.716 21.117 299 1HB GLN 47 2HB GLN 47 25.578 30.872 23.690 300 2HB GLN 47 3HB GLN 47 26.200 32.094 22.602 301 1HG GLN 47 2HG GLN 47 24.253 31.671 21.162 302 2HG GLN 47 3HG GLN 47 23.543 30.691 22.437 303 1HE2 GLN 47 1HE2 GLN 47 21.772 32.241 22.279 304 2HE2 GLN 47 2HE2 GLN 47 21.969 33.688 23.276 Start of MODEL 7 1 1H GLY 1 H GLY 1 27.383 33.603 35.152 2 1HA GLY 1 2HA GLY 1 26.064 31.498 35.058 3 2HA GLY 1 3HA GLY 1 26.492 31.458 33.343 4 H VAL 2 H VAL 2 27.302 29.301 34.514 5 HA VAL 2 HA VAL 2 29.931 29.639 35.864 6 HB VAL 2 HB VAL 2 28.406 27.309 35.140 7 1HG1 VAL 2 1HG1 VAL 2 30.572 26.495 35.720 8 2HG1 VAL 2 2HG1 VAL 2 30.480 27.366 37.288 9 3HG1 VAL 2 3HG1 VAL 2 29.406 25.977 36.895 10 1HG2 VAL 2 1HG2 VAL 2 26.919 28.491 36.446 11 2HG2 VAL 2 2HG2 VAL 2 27.431 26.957 37.146 12 3HG2 VAL 2 3HG2 VAL 2 28.174 28.534 37.755 13 HA HYP 3 HA HYP 3 31.724 28.205 32.028 14 1HB HYP 3 3HB HYP 3 34.154 27.906 32.430 15 2HB HYP 3 2HB HYP 3 33.821 26.879 33.829 16 1HD HYP 3 3HD HYP 3 31.927 29.792 35.387 17 2HD HYP 3 2HD HYP 3 32.244 28.110 35.860 18 HOD HYP 3 HOD HYP 3 33.536 30.819 34.284 19 HG HYP 3 HG HYP 3 34.422 28.690 35.067 20 H CYS 4 H CYS 4 30.947 26.608 30.847 21 HA CYS 4 HA CYS 4 31.455 23.869 31.715 22 1HB CYS 4 2HB CYS 4 29.436 24.417 32.872 23 2HB CYS 4 3HB CYS 4 28.755 25.050 31.347 24 H ARG 5 H ARG 5 31.964 22.573 30.089 25 HA ARG 5 HA ARG 5 31.512 23.662 27.406 26 1HB ARG 5 2HB ARG 5 33.196 22.339 26.576 27 2HB ARG 5 3HB ARG 5 33.748 23.251 27.979 28 1HG ARG 5 2HG ARG 5 33.555 21.290 29.346 29 2HG ARG 5 3HG ARG 5 33.001 20.362 27.889 30 1HD ARG 5 2HD ARG 5 35.236 19.967 27.483 31 2HD ARG 5 3HD ARG 5 35.274 21.696 27.032 32 HE ARG 5 HE ARG 5 35.672 21.102 29.819 33 1HH1 ARG 5 1HH1 ARG 5 37.359 21.692 26.704 34 2HH1 ARG 5 2HH1 ARG 5 38.760 22.286 27.495 35 1HH2 ARG 5 1HH2 ARG 5 37.300 21.823 30.632 36 2HH2 ARG 5 2HH2 ARG 5 38.839 22.194 29.844 37 H CYS 6 H CYS 6 31.246 22.558 25.761 38 HA CYS 6 HA CYS 6 28.924 20.715 25.638 39 1HB CYS 6 2HB CYS 6 30.486 22.158 23.413 40 2HB CYS 6 3HB CYS 6 28.864 21.502 23.272 41 H ASP 7 H ASP 7 29.075 18.635 24.384 42 HA ASP 7 HA ASP 7 31.310 17.058 25.169 43 1HB ASP 7 2HB ASP 7 29.039 16.199 24.675 44 2HB ASP 7 3HB ASP 7 29.295 16.497 22.958 45 H SER 8 H SER 8 30.936 19.025 22.395 46 HA SER 8 HA SER 8 33.391 18.122 21.015 47 1HB SER 8 2HB SER 8 32.425 19.524 19.187 48 2HB SER 8 3HB SER 8 31.303 18.259 19.750 49 HG SER 8 HG SER 8 30.199 20.187 19.562 50 H ASP 9 H ASP 9 32.530 20.513 23.172 51 HA ASP 9 HA ASP 9 32.840 22.613 23.653 52 1HB ASP 9 2HB ASP 9 34.606 22.879 24.999 53 2HB ASP 9 3HB ASP 9 34.386 21.148 24.878 54 H GLY 10 H GLY 10 33.499 22.246 20.641 55 1HA GLY 10 2HA GLY 10 33.412 24.999 20.050 56 2HA GLY 10 3HA GLY 10 35.043 24.289 19.712 57 HA PRO 11 HA PRO 11 31.647 22.025 17.222 58 1HB PRO 11 2HB PRO 11 29.163 23.435 17.039 59 2HB PRO 11 3HB PRO 11 29.536 22.060 18.136 60 1HG PRO 11 2HG PRO 11 29.929 25.045 18.723 61 2HG PRO 11 3HG PRO 11 29.085 23.802 19.757 62 1HD PRO 11 2HD PRO 11 31.467 24.594 20.237 63 2HD PRO 11 3HD PRO 11 31.146 22.825 20.247 64 H SER 12 H SER 12 32.354 25.370 16.937 65 HA SER 12 HA SER 12 32.073 25.296 13.932 66 1HB SER 12 2HB SER 12 30.572 26.950 15.060 67 2HB SER 12 3HB SER 12 32.036 27.745 15.660 68 HG SER 12 HG SER 12 32.648 27.613 13.260 69 H VAL 13 H VAL 13 34.283 25.672 16.555 70 HA VAL 13 HA VAL 13 36.534 25.671 14.715 71 HB VAL 13 HB VAL 13 37.003 27.890 16.478 72 1HG1 VAL 13 1HG1 VAL 13 38.063 27.458 14.330 73 2HG1 VAL 13 2HG1 VAL 13 36.510 27.669 13.481 74 3HG1 VAL 13 3HG1 VAL 13 37.260 29.061 14.293 75 1HG2 VAL 13 1HG2 VAL 13 35.317 29.553 15.925 76 2HG2 VAL 13 2HG2 VAL 13 34.456 28.408 14.863 77 3HG2 VAL 13 3HG2 VAL 13 34.478 28.121 16.598 78 H HIS 14 H HIS 14 38.430 25.122 15.753 79 HA HIS 14 HA HIS 14 38.329 23.585 18.123 80 1HB HIS 14 2HB HIS 14 40.950 23.891 17.837 81 2HB HIS 14 3HB HIS 14 39.984 22.918 16.741 82 HD1 HIS 14 HD1 HIS 14 40.506 23.360 14.248 83 HD2 HIS 14 HD2 HIS 14 41.137 26.703 16.736 84 HE1 HIS 14 HE1 HIS 14 41.343 25.227 12.745 85 H GLY 15 H GLY 15 37.954 24.317 20.147 86 1HA GLY 15 2HA GLY 15 39.657 26.452 21.296 87 2HA GLY 15 3HA GLY 15 37.921 26.766 21.213 88 H ASN 16 H ASN 16 40.181 24.307 22.262 89 HA ASN 16 HA ASN 16 38.910 22.612 23.928 90 1HB ASN 16 2HB ASN 16 41.184 22.060 24.610 91 2HB ASN 16 3HB ASN 16 41.088 22.453 22.894 92 1HD2 ASN 16 1HD2 ASN 16 42.007 23.785 26.053 93 2HD2 ASN 16 2HD2 ASN 16 43.177 24.932 25.368 94 H THR 17 H THR 17 38.108 25.114 24.820 95 HA THR 17 HA THR 17 38.521 24.979 27.802 96 HB THR 17 HB THR 17 38.535 27.469 27.903 97 HG1 THR 17 HG1 THR 17 38.062 27.147 25.185 98 1HG2 THR 17 1HG2 THR 17 40.670 26.275 27.768 99 2HG2 THR 17 2HG2 THR 17 40.739 27.874 26.979 100 3HG2 THR 17 3HG2 THR 17 40.632 26.396 25.984 101 H LEU 18 H LEU 18 36.973 26.407 29.006 102 HA LEU 18 HA LEU 18 34.347 25.580 28.377 103 1HB LEU 18 2HB LEU 18 35.438 27.129 30.688 104 2HB LEU 18 3HB LEU 18 33.749 26.502 30.550 105 HG LEU 18 HG LEU 18 36.098 24.620 30.163 106 1HD1 LEU 18 1HD1 LEU 18 35.948 24.115 32.464 107 2HD1 LEU 18 2HD1 LEU 18 34.623 25.289 32.652 108 3HD1 LEU 18 3HD1 LEU 18 36.253 25.880 32.255 109 1HD2 LEU 18 1HD2 LEU 18 33.481 24.420 29.665 110 2HD2 LEU 18 2HD2 LEU 18 33.418 24.051 31.353 111 3HD2 LEU 18 3HD2 LEU 18 34.439 23.051 30.196 112 H SER 19 H SER 19 34.201 26.490 26.354 113 HA SER 19 HA SER 19 33.737 29.302 25.788 114 1HB SER 19 2HB SER 19 33.167 28.276 23.553 115 2HB SER 19 3HB SER 19 34.759 27.764 24.166 116 HG SER 19 HG SER 19 33.824 25.848 23.643 117 H GLY 20 H GLY 20 31.911 26.704 26.998 118 1HA GLY 20 2HA GLY 20 29.242 27.814 26.257 119 2HA GLY 20 3HA GLY 20 29.560 26.165 26.810 120 H THR 21 H THR 21 27.593 27.300 28.118 121 HA THR 21 HA THR 21 28.719 28.088 30.750 122 HB THR 21 HB THR 21 26.322 29.368 29.371 123 HG1 THR 21 HG1 THR 21 27.878 31.205 29.399 124 1HG2 THR 21 1HG2 THR 21 27.863 30.291 31.794 125 2HG2 THR 21 2HG2 THR 21 26.199 29.612 31.770 126 3HG2 THR 21 3HG2 THR 21 26.552 31.170 30.942 127 H VAL 22 H VAL 22 27.617 27.160 32.540 128 HA VAL 22 HA VAL 22 25.261 25.586 31.974 129 HB VAL 22 HB VAL 22 26.775 24.258 32.920 130 1HG1 VAL 22 1HG1 VAL 22 27.690 24.448 35.105 131 2HG1 VAL 22 2HG1 VAL 22 28.257 25.729 33.946 132 3HG1 VAL 22 3HG1 VAL 22 26.891 26.021 35.168 133 1HG2 VAL 22 1HG2 VAL 22 24.820 24.991 35.203 134 2HG2 VAL 22 2HG2 VAL 22 24.273 24.287 33.664 135 3HG2 VAL 22 3HG2 VAL 22 25.431 23.389 34.580 136 H TRP 23 H TRP 23 23.643 25.902 32.787 137 HA TRP 23 HA TRP 23 22.793 28.279 34.363 138 1HB TRP 23 2HB TRP 23 21.163 26.939 32.158 139 2HB TRP 23 3HB TRP 23 20.897 28.538 32.867 140 HD1 TRP 23 HD1 TRP 23 22.841 26.658 30.235 141 HE1 TRP 23 HE1 TRP 23 24.215 28.307 28.776 142 HE3 TRP 23 HE3 TRP 23 22.179 30.951 32.904 143 HZ2 TRP 23 HZ2 TRP 23 24.616 31.086 28.633 144 HZ3 TRP 23 HZ3 TRP 23 22.955 33.153 32.016 145 HH2 TRP 23 HH2 TRP 23 24.116 33.218 29.774 146 H VAL 24 H VAL 24 21.586 27.689 36.037 147 HA VAL 24 HA VAL 24 21.167 24.776 36.223 148 HB VAL 24 HB VAL 24 21.483 24.714 38.277 149 1HG1 VAL 24 1HG1 VAL 24 23.636 25.611 38.670 150 2HG1 VAL 24 2HG1 VAL 24 23.503 25.437 36.866 151 3HG1 VAL 24 3HG1 VAL 24 23.306 27.031 37.620 152 1HG2 VAL 24 1HG2 VAL 24 20.861 27.589 38.786 153 2HG2 VAL 24 2HG2 VAL 24 19.790 26.176 39.051 154 3HG2 VAL 24 3HG2 VAL 24 21.306 26.339 39.995 155 H GLY 25 H GLY 25 19.268 24.049 37.284 156 1HA GLY 25 2HA GLY 25 16.989 24.133 37.689 157 2HA GLY 25 3HA GLY 25 17.047 25.877 37.468 158 H SER 26 H SER 26 18.123 25.883 34.769 159 HA SER 26 HA SER 26 17.037 24.261 32.738 160 1HB SER 26 2HB SER 26 14.832 25.238 33.448 161 2HB SER 26 3HB SER 26 15.496 26.865 33.138 162 HG SER 26 HG SER 26 14.444 26.267 31.316 163 H CYS 27 H CYS 27 17.303 25.365 30.605 164 HA CYS 27 HA CYS 27 19.806 26.939 30.368 165 1HB CYS 27 2HB CYS 27 18.926 25.049 28.806 166 2HB CYS 27 3HB CYS 27 17.825 26.273 28.178 167 H ALA 28 H ALA 28 20.152 28.714 29.259 168 HA ALA 28 HA ALA 28 18.568 31.011 29.858 169 1HB ALA 28 1HB ALA 28 20.935 31.106 29.838 170 2HB ALA 28 2HB ALA 28 21.058 30.371 28.235 171 3HB ALA 28 3HB ALA 28 20.454 32.054 28.408 172 H SER 29 H SER 29 17.154 32.008 28.696 173 HA SER 29 HA SER 29 15.352 31.211 27.009 174 1HB SER 29 2HB SER 29 14.638 33.264 27.325 175 2HB SER 29 3HB SER 29 16.223 33.647 28.019 176 HG SER 29 HG SER 29 16.872 34.504 26.114 177 H GLY 30 H GLY 30 18.227 32.691 25.554 178 1HA GLY 30 2HA GLY 30 17.268 31.985 22.810 179 2HA GLY 30 3HA GLY 30 18.551 33.101 23.261 180 H TRP 31 H TRP 31 19.005 30.261 24.947 181 HA TRP 31 HA TRP 31 21.207 29.480 23.062 182 1HB TRP 31 2HB TRP 31 20.920 28.763 25.962 183 2HB TRP 31 3HB TRP 31 22.279 28.474 24.951 184 HD1 TRP 31 HD1 TRP 31 20.661 32.014 25.620 185 HE1 TRP 31 HE1 TRP 31 22.605 33.566 26.189 186 HE3 TRP 31 HE3 TRP 31 24.401 28.610 25.938 187 HZ2 TRP 31 HZ2 TRP 31 25.401 33.372 26.674 188 HZ3 TRP 31 HZ3 TRP 31 26.684 29.273 26.741 189 HH2 TRP 31 HH2 TRP 31 27.225 31.642 27.025 190 H HIS 32 H HIS 32 21.832 26.994 23.429 191 HA HIS 32 HA HIS 32 19.458 25.257 23.673 192 1HB HIS 32 2HB HIS 32 20.995 25.153 21.055 193 2HB HIS 32 3HB HIS 32 19.556 24.258 21.495 194 HD1 HIS 32 HD1 HIS 32 17.220 25.404 20.963 195 HD2 HIS 32 HD2 HIS 32 20.641 27.828 20.625 196 HE1 HIS 32 HE1 HIS 32 16.462 27.526 19.765 197 H LYS 33 H LYS 33 20.037 22.967 23.298 198 HA LYS 33 HA LYS 33 22.218 22.227 24.984 199 1HB LYS 33 2HB LYS 33 20.021 20.759 23.699 200 2HB LYS 33 3HB LYS 33 21.535 19.841 23.692 201 1HG LYS 33 2HG LYS 33 20.543 19.344 25.807 202 2HG LYS 33 3HG LYS 33 21.862 20.485 26.149 203 1HD LYS 33 2HD LYS 33 20.156 22.367 25.883 204 2HD LYS 33 3HD LYS 33 18.888 21.104 25.756 205 1HE LYS 33 2HE LYS 33 18.873 21.310 28.023 206 2HE LYS 33 3HE LYS 33 20.260 20.196 27.824 207 1HZ LYS 33 1HZ LYS 33 20.562 23.122 27.880 208 2HZ LYS 33 2HZ LYS 33 21.776 22.017 28.107 209 3HZ LYS 33 3HZ LYS 33 20.525 22.296 29.225 210 H CYS 34 H CYS 34 24.190 22.271 24.564 211 HA CYS 34 HA CYS 34 25.196 21.651 21.852 212 1HB CYS 34 2HB CYS 34 27.202 22.658 22.562 213 2HB CYS 34 3HB CYS 34 25.861 23.677 23.038 214 H ASN 35 H ASN 35 24.217 19.741 24.396 215 HA ASN 35 HA ASN 35 26.051 17.572 23.629 216 1HB ASN 35 2HB ASN 35 26.693 17.113 25.944 217 2HB ASN 35 3HB ASN 35 27.374 18.617 25.355 218 1HD2 ASN 35 1HD2 ASN 35 26.837 17.642 28.072 219 2HD2 ASN 35 2HD2 ASN 35 25.263 18.311 28.392 220 H ASP 36 H ASP 36 25.496 15.544 24.842 221 HA ASP 36 HA ASP 36 22.680 14.961 24.527 222 1HB ASP 36 2HB ASP 36 24.668 13.443 23.978 223 2HB ASP 36 3HB ASP 36 24.874 13.218 25.721 224 H GLU 37 H GLU 37 24.911 14.931 27.184 225 HA GLU 37 HA GLU 37 22.848 14.720 29.252 226 1HB GLU 37 2HB GLU 37 24.749 14.700 30.803 227 2HB GLU 37 3HB GLU 37 24.895 13.451 29.548 228 1HG GLU 37 2HG GLU 37 26.443 14.757 28.297 229 2HG GLU 37 3HG GLU 37 26.224 16.137 29.343 230 H TYR 38 H TYR 38 23.606 16.516 31.249 231 HA TYR 38 HA TYR 38 23.943 19.220 30.013 232 1HB TYR 38 2HB TYR 38 22.053 19.067 32.157 233 2HB TYR 38 3HB TYR 38 22.056 19.946 30.548 234 HD1 TYR 38 HD1 TYR 38 21.268 18.923 28.633 235 HD2 TYR 38 HD2 TYR 38 20.981 17.040 32.448 236 HE1 TYR 38 HE1 TYR 38 20.204 16.914 27.526 237 HE2 TYR 38 HE2 TYR 38 19.973 15.005 31.401 238 HH TYR 38 HH TYR 38 20.103 14.625 27.947 239 H ASN 39 H ASN 39 23.220 17.626 33.142 240 HA ASN 39 HA ASN 39 25.666 17.926 34.314 241 1HB ASN 39 2HB ASN 39 24.483 20.470 34.119 242 2HB ASN 39 3HB ASN 39 24.271 19.976 35.783 243 1HD2 ASN 39 1HD2 ASN 39 26.503 20.689 33.339 244 2HD2 ASN 39 2HD2 ASN 39 27.959 20.817 34.350 245 H ILE 40 H ILE 40 25.674 18.052 36.685 246 HA ILE 40 HA ILE 40 24.694 15.990 38.037 247 HB ILE 40 HB ILE 40 26.575 17.515 38.510 248 1HG1 ILE 40 2HG1 ILE 40 26.451 17.712 40.887 249 2HG1 ILE 40 3HG1 ILE 40 24.689 17.597 40.884 250 1HG2 ILE 40 1HG2 ILE 40 24.493 19.410 39.622 251 2HG2 ILE 40 2HG2 ILE 40 26.250 19.686 39.458 252 3HG2 ILE 40 3HG2 ILE 40 25.226 19.597 37.994 253 1HD1 ILE 40 1HD1 ILE 40 26.445 15.425 39.683 254 2HD1 ILE 40 2HD1 ILE 40 25.951 15.389 41.415 255 3HD1 ILE 40 3HD1 ILE 40 24.739 15.320 40.109 256 H ALA 41 H ALA 41 23.439 19.009 37.745 257 HA ALA 41 HA ALA 41 20.774 18.520 38.938 258 1HB ALA 41 1HB ALA 41 21.041 20.801 40.075 259 2HB ALA 41 2HB ALA 41 22.066 19.486 40.718 260 3HB ALA 41 3HB ALA 41 22.757 20.699 39.609 261 H TYR 42 H TYR 42 22.846 20.795 37.482 262 HA TYR 42 HA TYR 42 21.244 22.725 36.198 263 1HB TYR 42 2HB TYR 42 24.033 22.163 35.543 264 2HB TYR 42 3HB TYR 42 23.147 23.657 35.776 265 HD1 TYR 42 HD1 TYR 42 22.143 22.808 38.596 266 HD2 TYR 42 HD2 TYR 42 25.859 23.235 36.539 267 HE1 TYR 42 HE1 TYR 42 23.084 23.544 40.577 268 HE2 TYR 42 HE2 TYR 42 26.997 23.753 38.630 269 HH TYR 42 HH TYR 42 25.050 24.041 41.711 270 H GLU 43 H GLU 43 22.427 23.355 34.027 271 HA GLU 43 HA GLU 43 22.609 21.169 32.086 272 1HB GLU 43 2HB GLU 43 20.557 23.290 32.086 273 2HB GLU 43 3HB GLU 43 21.217 22.864 30.596 274 1HG GLU 43 2HG GLU 43 20.118 20.703 30.703 275 2HG GLU 43 3HG GLU 43 19.659 20.986 32.411 276 H CYS 44 H CYS 44 24.011 21.409 30.663 277 HA CYS 44 HA CYS 44 25.482 23.937 30.289 278 1HB CYS 44 2HB CYS 44 26.256 21.298 30.348 279 2HB CYS 44 3HB CYS 44 26.053 21.532 28.623 280 H CYS 45 H CYS 45 25.415 25.200 28.509 281 HA CYS 45 HA CYS 45 24.094 24.461 25.976 282 1HB CYS 45 2HB CYS 45 23.181 26.931 27.499 283 2HB CYS 45 3HB CYS 45 22.740 26.447 25.852 284 H LYS 46 H LYS 46 24.376 26.250 24.465 285 HA LYS 46 HA LYS 46 26.828 27.858 24.914 286 1HB LYS 46 2HB LYS 46 28.151 26.856 23.560 287 2HB LYS 46 3HB LYS 46 27.077 25.476 23.878 288 1HG LYS 46 2HG LYS 46 27.075 27.249 21.531 289 2HG LYS 46 3HG LYS 46 27.587 25.498 21.668 290 1HD LYS 46 2HD LYS 46 25.608 24.811 21.213 291 2HD LYS 46 3HD LYS 46 25.093 25.624 22.722 292 1HE LYS 46 2HE LYS 46 25.147 27.743 21.200 293 2HE LYS 46 3HE LYS 46 24.734 26.562 19.924 294 1HZ LYS 46 1HZ LYS 46 23.296 27.212 22.442 295 2HZ LYS 46 2HZ LYS 46 23.022 25.764 21.720 296 3HZ LYS 46 3HZ LYS 46 22.672 27.190 20.891 297 H GLN 47 H GLN 47 27.268 29.347 23.263 298 HA GLN 47 HA GLN 47 25.370 30.328 21.337 299 1HB GLN 47 2HB GLN 47 25.221 31.372 24.051 300 2HB GLN 47 3HB GLN 47 25.626 32.659 22.936 301 1HG GLN 47 2HG GLN 47 23.810 31.903 21.477 302 2HG GLN 47 3HG GLN 47 23.226 30.851 22.761 303 1HE2 GLN 47 1HE2 GLN 47 21.186 32.286 22.432 304 2HE2 GLN 47 2HE2 GLN 47 21.284 33.737 23.449 Start of MODEL 8 1 1H GLY 1 H GLY 1 27.716 33.715 34.697 2 1HA GLY 1 2HA GLY 1 25.962 31.342 34.951 3 2HA GLY 1 3HA GLY 1 26.848 31.819 33.494 4 H VAL 2 H VAL 2 27.551 29.403 34.122 5 HA VAL 2 HA VAL 2 30.092 29.668 35.699 6 HB VAL 2 HB VAL 2 28.575 27.307 35.121 7 1HG1 VAL 2 1HG1 VAL 2 30.610 27.408 37.258 8 2HG1 VAL 2 2HG1 VAL 2 29.547 26.022 36.795 9 3HG1 VAL 2 3HG1 VAL 2 30.736 26.578 35.671 10 1HG2 VAL 2 1HG2 VAL 2 28.307 28.705 37.623 11 2HG2 VAL 2 2HG2 VAL 2 27.052 28.475 36.326 12 3HG2 VAL 2 3HG2 VAL 2 27.624 27.049 37.174 13 HA HYP 3 HA HYP 3 31.662 28.123 31.803 14 1HB HYP 3 3HB HYP 3 34.092 27.837 32.070 15 2HB HYP 3 2HB HYP 3 33.864 26.881 33.541 16 1HD HYP 3 3HD HYP 3 32.030 29.742 35.184 17 2HD HYP 3 2HD HYP 3 32.444 28.062 35.574 18 HOD HYP 3 HOD HYP 3 33.755 30.868 33.851 19 HG HYP 3 HG HYP 3 34.524 28.858 34.588 20 H CYS 4 H CYS 4 30.941 26.459 30.689 21 HA CYS 4 HA CYS 4 31.393 23.754 31.701 22 1HB CYS 4 2HB CYS 4 29.391 24.416 32.807 23 2HB CYS 4 3HB CYS 4 28.716 24.979 31.258 24 H ARG 5 H ARG 5 31.817 22.315 30.097 25 HA ARG 5 HA ARG 5 31.452 23.349 27.373 26 1HB ARG 5 2HB ARG 5 33.088 21.984 26.610 27 2HB ARG 5 3HB ARG 5 33.644 22.901 27.993 28 1HG ARG 5 2HG ARG 5 33.421 20.993 29.404 29 2HG ARG 5 3HG ARG 5 32.834 20.032 27.974 30 1HD ARG 5 2HD ARG 5 35.067 19.575 27.548 31 2HD ARG 5 3HD ARG 5 35.177 21.311 27.117 32 HE ARG 5 HE ARG 5 35.537 20.714 29.893 33 1HH1 ARG 5 1HH1 ARG 5 37.322 21.069 26.756 34 2HH1 ARG 5 2HH1 ARG 5 38.747 21.504 27.660 35 1HH2 ARG 5 1HH2 ARG 5 37.182 21.568 30.680 36 2HH2 ARG 5 2HH2 ARG 5 38.740 21.768 29.796 37 H CYS 6 H CYS 6 31.224 22.201 25.727 38 HA CYS 6 HA CYS 6 28.753 20.619 25.549 39 1HB CYS 6 2HB CYS 6 30.473 21.927 23.365 40 2HB CYS 6 3HB CYS 6 28.811 21.400 23.178 41 H ASP 7 H ASP 7 28.620 18.897 23.749 42 HA ASP 7 HA ASP 7 30.102 16.615 24.521 43 1HB ASP 7 2HB ASP 7 28.981 15.540 22.641 44 2HB ASP 7 3HB ASP 7 27.880 16.535 23.580 45 H SER 8 H SER 8 30.811 18.875 22.296 46 HA SER 8 HA SER 8 33.150 17.592 20.927 47 1HB SER 8 2HB SER 8 32.546 19.485 19.244 48 2HB SER 8 3HB SER 8 31.391 18.137 19.395 49 HG SER 8 HG SER 8 30.033 19.321 20.514 50 H ASP 9 H ASP 9 32.227 20.082 22.993 51 HA ASP 9 HA ASP 9 32.861 22.130 23.577 52 1HB ASP 9 2HB ASP 9 34.598 22.184 25.060 53 2HB ASP 9 3HB ASP 9 33.791 20.623 25.101 54 H GLY 10 H GLY 10 33.265 21.735 20.796 55 1HA GLY 10 2HA GLY 10 33.809 24.341 19.992 56 2HA GLY 10 3HA GLY 10 35.260 23.327 19.609 57 HA PRO 11 HA PRO 11 31.420 21.683 17.310 58 1HB PRO 11 2HB PRO 11 29.082 23.256 17.404 59 2HB PRO 11 3HB PRO 11 29.471 21.962 18.586 60 1HG PRO 11 2HG PRO 11 30.307 24.917 18.797 61 2HG PRO 11 3HG PRO 11 29.294 23.975 19.988 62 1HD PRO 11 2HD PRO 11 31.817 24.291 20.342 63 2HD PRO 11 3HD PRO 11 31.179 22.616 20.460 64 H SER 12 H SER 12 32.803 24.721 17.017 65 HA SER 12 HA SER 12 32.013 24.988 14.120 66 1HB SER 12 2HB SER 12 32.179 27.324 16.004 67 2HB SER 12 3HB SER 12 31.696 27.314 14.298 68 HG SER 12 HG SER 12 30.013 25.740 15.129 69 H VAL 13 H VAL 13 34.413 25.548 16.565 70 HA VAL 13 HA VAL 13 36.539 25.648 14.531 71 HB VAL 13 HB VAL 13 37.384 27.788 15.466 72 1HG1 VAL 13 1HG1 VAL 13 34.577 28.059 14.350 73 2HG1 VAL 13 2HG1 VAL 13 35.973 29.186 14.189 74 3HG1 VAL 13 3HG1 VAL 13 36.019 27.565 13.435 75 1HG2 VAL 13 1HG2 VAL 13 35.820 29.209 16.773 76 2HG2 VAL 13 2HG2 VAL 13 34.687 27.830 16.916 77 3HG2 VAL 13 3HG2 VAL 13 36.312 27.750 17.650 78 H HIS 14 H HIS 14 38.517 26.415 16.016 79 HA HIS 14 HA HIS 14 39.378 24.238 17.579 80 1HB HIS 14 2HB HIS 14 41.055 26.156 18.405 81 2HB HIS 14 3HB HIS 14 41.129 25.386 16.814 82 HD1 HIS 14 HD1 HIS 14 41.688 27.122 15.025 83 HD2 HIS 14 HD2 HIS 14 39.097 28.544 18.036 84 HE1 HIS 14 HE1 HIS 14 40.792 29.391 14.228 85 H GLY 15 H GLY 15 38.650 23.532 19.429 86 1HA GLY 15 2HA GLY 15 37.861 25.405 21.607 87 2HA GLY 15 3HA GLY 15 37.039 23.875 21.254 88 H ASN 16 H ASN 16 39.031 25.235 23.335 89 HA ASN 16 HA ASN 16 40.417 22.719 24.161 90 1HB ASN 16 2HB ASN 16 42.421 24.111 24.662 91 2HB ASN 16 3HB ASN 16 42.022 24.096 22.948 92 1HD2 ASN 16 1HD2 ASN 16 42.824 26.220 25.533 93 2HD2 ASN 16 2HD2 ASN 16 42.111 27.634 24.731 94 H THR 17 H THR 17 38.818 25.689 25.130 95 HA THR 17 HA THR 17 38.621 24.756 27.962 96 HB THR 17 HB THR 17 38.794 27.202 28.612 97 HG1 THR 17 HG1 THR 17 38.420 28.071 26.487 98 1HG2 THR 17 1HG2 THR 17 40.744 25.717 28.844 99 2HG2 THR 17 2HG2 THR 17 41.243 27.362 28.385 100 3HG2 THR 17 3HG2 THR 17 41.207 26.070 27.168 101 H LEU 18 H LEU 18 36.990 25.817 29.164 102 HA LEU 18 HA LEU 18 34.500 25.321 28.281 103 1HB LEU 18 2HB LEU 18 35.475 26.816 30.668 104 2HB LEU 18 3HB LEU 18 33.777 26.253 30.454 105 HG LEU 18 HG LEU 18 36.049 24.293 30.101 106 1HD1 LEU 18 1HD1 LEU 18 34.592 25.067 32.586 107 2HD1 LEU 18 2HD1 LEU 18 36.270 25.514 32.198 108 3HD1 LEU 18 3HD1 LEU 18 35.819 23.780 32.425 109 1HD2 LEU 18 1HD2 LEU 18 33.326 23.883 31.274 110 2HD2 LEU 18 2HD2 LEU 18 34.317 22.776 30.189 111 3HD2 LEU 18 3HD2 LEU 18 33.444 24.187 29.567 112 H SER 19 H SER 19 34.644 26.636 26.180 113 HA SER 19 HA SER 19 33.741 29.410 26.274 114 1HB SER 19 2HB SER 19 35.123 28.405 24.429 115 2HB SER 19 3HB SER 19 33.696 27.473 23.931 116 HG SER 19 HG SER 19 32.611 29.586 23.879 117 H GLY 20 H GLY 20 32.099 26.901 27.306 118 1HA GLY 20 2HA GLY 20 29.411 27.625 26.203 119 2HA GLY 20 3HA GLY 20 29.835 26.006 26.792 120 H THR 21 H THR 21 27.671 27.237 27.989 121 HA THR 21 HA THR 21 28.728 28.026 30.658 122 HB THR 21 HB THR 21 26.366 29.306 29.220 123 HG1 THR 21 HG1 THR 21 27.801 31.092 29.025 124 1HG2 THR 21 1HG2 THR 21 26.637 31.128 30.720 125 2HG2 THR 21 2HG2 THR 21 27.907 30.249 31.642 126 3HG2 THR 21 3HG2 THR 21 26.236 29.619 31.608 127 H VAL 22 H VAL 22 27.610 27.175 32.428 128 HA VAL 22 HA VAL 22 25.281 25.574 31.874 129 HB VAL 22 HB VAL 22 26.795 24.284 32.943 130 1HG1 VAL 22 1HG1 VAL 22 28.253 25.796 33.860 131 2HG1 VAL 22 2HG1 VAL 22 26.872 26.272 34.996 132 3HG1 VAL 22 3HG1 VAL 22 27.648 24.688 35.161 133 1HG2 VAL 22 1HG2 VAL 22 24.900 25.177 35.182 134 2HG2 VAL 22 2HG2 VAL 22 24.265 24.399 33.703 135 3HG2 VAL 22 3HG2 VAL 22 25.431 23.525 34.612 136 H TRP 23 H TRP 23 23.608 25.884 32.716 137 HA TRP 23 HA TRP 23 22.819 28.326 34.209 138 1HB TRP 23 2HB TRP 23 21.127 26.998 32.060 139 2HB TRP 23 3HB TRP 23 20.917 28.618 32.738 140 HD1 TRP 23 HD1 TRP 23 22.812 26.620 30.147 141 HE1 TRP 23 HE1 TRP 23 24.229 28.185 28.656 142 HE3 TRP 23 HE3 TRP 23 22.221 31.014 32.673 143 HZ2 TRP 23 HZ2 TRP 23 24.694 30.961 28.409 144 HZ3 TRP 23 HZ3 TRP 23 23.056 33.163 31.710 145 HH2 TRP 23 HH2 TRP 23 24.244 33.121 29.479 146 H VAL 24 H VAL 24 22.144 27.774 35.934 147 HA VAL 24 HA VAL 24 21.588 24.970 36.583 148 HB VAL 24 HB VAL 24 21.991 27.467 38.175 149 1HG1 VAL 24 1HG1 VAL 24 20.309 26.225 39.280 150 2HG1 VAL 24 2HG1 VAL 24 21.219 24.756 39.173 151 3HG1 VAL 24 3HG1 VAL 24 21.855 26.084 40.185 152 1HG2 VAL 24 1HG2 VAL 24 23.941 27.202 37.293 153 2HG2 VAL 24 2HG2 VAL 24 24.159 26.085 38.666 154 3HG2 VAL 24 3HG2 VAL 24 23.819 25.533 36.965 155 H GLY 25 H GLY 25 19.692 24.165 37.299 156 1HA GLY 25 2HA GLY 25 17.408 24.243 37.829 157 2HA GLY 25 3HA GLY 25 17.480 25.988 37.517 158 H SER 26 H SER 26 18.364 26.166 34.918 159 HA SER 26 HA SER 26 17.951 24.248 32.960 160 1HB SER 26 2HB SER 26 15.494 24.540 33.589 161 2HB SER 26 3HB SER 26 15.607 26.161 32.890 162 HG SER 26 HG SER 26 16.345 23.725 31.552 163 H CYS 27 H CYS 27 17.906 25.171 30.685 164 HA CYS 27 HA CYS 27 20.078 27.013 30.219 165 1HB CYS 27 2HB CYS 27 19.070 25.063 28.767 166 2HB CYS 27 3HB CYS 27 17.973 26.297 28.172 167 H ALA 28 H ALA 28 20.305 28.764 29.095 168 HA ALA 28 HA ALA 28 18.608 30.993 29.699 169 1HB ALA 28 1HB ALA 28 21.105 30.537 28.027 170 2HB ALA 28 2HB ALA 28 20.376 32.156 28.287 171 3HB ALA 28 3HB ALA 28 20.982 31.194 29.651 172 H SER 29 H SER 29 17.184 31.941 28.540 173 HA SER 29 HA SER 29 15.390 31.042 26.843 174 1HB SER 29 2HB SER 29 16.308 33.920 26.787 175 2HB SER 29 3HB SER 29 14.643 33.299 26.666 176 HG SER 29 HG SER 29 15.219 32.349 28.860 177 H GLY 30 H GLY 30 18.416 31.989 25.487 178 1HA GLY 30 2HA GLY 30 17.268 31.883 22.697 179 2HA GLY 30 3HA GLY 30 18.551 32.993 23.173 180 H TRP 31 H TRP 31 19.119 30.174 24.782 181 HA TRP 31 HA TRP 31 21.296 29.432 22.880 182 1HB TRP 31 2HB TRP 31 20.910 28.721 25.780 183 2HB TRP 31 3HB TRP 31 22.278 28.309 24.828 184 HD1 TRP 31 HD1 TRP 31 20.844 31.937 25.281 185 HE1 TRP 31 HE1 TRP 31 22.813 33.432 25.868 186 HE3 TRP 31 HE3 TRP 31 24.441 28.392 25.876 187 HZ2 TRP 31 HZ2 TRP 31 25.543 33.171 26.353 188 HZ3 TRP 31 HZ3 TRP 31 26.762 29.049 26.587 189 HH2 TRP 31 HH2 TRP 31 27.361 31.392 26.754 190 H HIS 32 H HIS 32 21.858 26.900 23.343 191 HA HIS 32 HA HIS 32 19.417 25.265 23.505 192 1HB HIS 32 2HB HIS 32 21.071 24.886 20.978 193 2HB HIS 32 3HB HIS 32 19.545 24.165 21.401 194 HD1 HIS 32 HD1 HIS 32 17.680 25.096 19.880 195 HD2 HIS 32 HD2 HIS 32 20.769 27.821 20.680 196 HE1 HIS 32 HE1 HIS 32 17.159 27.213 18.537 197 H LYS 33 H LYS 33 19.953 22.958 23.367 198 HA LYS 33 HA LYS 33 22.146 22.209 25.060 199 1HB LYS 33 2HB LYS 33 19.960 20.739 23.767 200 2HB LYS 33 3HB LYS 33 21.478 19.839 23.708 201 1HG LYS 33 2HG LYS 33 20.518 19.313 25.855 202 2HG LYS 33 3HG LYS 33 21.840 20.440 26.206 203 1HD LYS 33 2HD LYS 33 20.182 22.341 26.076 204 2HD LYS 33 3HD LYS 33 18.877 21.118 25.850 205 1HE LYS 33 2HE LYS 33 18.901 21.142 28.149 206 2HE LYS 33 3HE LYS 33 20.193 19.961 27.775 207 1HZ LYS 33 1HZ LYS 33 21.754 21.984 27.904 208 2HZ LYS 33 2HZ LYS 33 21.064 21.485 29.326 209 3HZ LYS 33 3HZ LYS 33 20.419 22.754 28.589 210 H CYS 34 H CYS 34 24.171 22.229 24.610 211 HA CYS 34 HA CYS 34 25.123 21.709 21.838 212 1HB CYS 34 2HB CYS 34 27.149 22.631 22.561 213 2HB CYS 34 3HB CYS 34 25.850 23.664 23.114 214 H ASN 35 H ASN 35 24.055 19.709 24.210 215 HA ASN 35 HA ASN 35 25.826 17.573 23.424 216 1HB ASN 35 2HB ASN 35 26.670 17.170 25.740 217 2HB ASN 35 3HB ASN 35 27.257 18.690 25.085 218 1HD2 ASN 35 1HD2 ASN 35 26.824 17.670 27.822 219 2HD2 ASN 35 2HD2 ASN 35 25.317 18.412 28.242 220 H ASP 36 H ASP 36 25.280 15.578 24.684 221 HA ASP 36 HA ASP 36 22.463 15.072 24.623 222 1HB ASP 36 2HB ASP 36 24.452 13.537 24.026 223 2HB ASP 36 3HB ASP 36 24.723 13.347 25.748 224 H GLU 37 H GLU 37 24.779 15.067 27.146 225 HA GLU 37 HA GLU 37 22.960 14.842 29.409 226 1HB GLU 37 2HB GLU 37 25.010 14.846 30.727 227 2HB GLU 37 3HB GLU 37 25.183 13.718 29.356 228 1HG GLU 37 2HG GLU 37 26.131 15.869 28.145 229 2HG GLU 37 3HG GLU 37 26.386 16.435 29.792 230 H TYR 38 H TYR 38 23.626 16.595 31.333 231 HA TYR 38 HA TYR 38 23.935 19.321 30.176 232 1HB TYR 38 2HB TYR 38 22.060 19.154 32.304 233 2HB TYR 38 3HB TYR 38 22.027 19.986 30.668 234 HD1 TYR 38 HD1 TYR 38 21.295 18.934 28.797 235 HD2 TYR 38 HD2 TYR 38 21.052 17.079 32.618 236 HE1 TYR 38 HE1 TYR 38 20.032 17.010 27.764 237 HE2 TYR 38 HE2 TYR 38 19.737 15.209 31.688 238 HH TYR 38 HH TYR 38 19.005 14.198 29.620 239 H ASN 39 H ASN 39 23.181 17.707 33.301 240 HA ASN 39 HA ASN 39 25.630 17.973 34.549 241 1HB ASN 39 2HB ASN 39 24.528 20.548 34.257 242 2HB ASN 39 3HB ASN 39 24.222 20.088 35.911 243 1HD2 ASN 39 1HD2 ASN 39 26.568 20.991 33.666 244 2HD2 ASN 39 2HD2 ASN 39 27.958 20.975 34.772 245 H ILE 40 H ILE 40 25.574 18.129 36.912 246 HA ILE 40 HA ILE 40 24.500 16.134 38.279 247 HB ILE 40 HB ILE 40 26.426 17.627 38.743 248 1HG1 ILE 40 2HG1 ILE 40 26.300 17.843 41.113 249 2HG1 ILE 40 3HG1 ILE 40 24.530 17.780 41.110 250 1HG2 ILE 40 1HG2 ILE 40 26.143 19.823 39.682 251 2HG2 ILE 40 2HG2 ILE 40 25.151 19.737 38.194 252 3HG2 ILE 40 3HG2 ILE 40 24.376 19.579 39.805 253 1HD1 ILE 40 1HD1 ILE 40 24.517 15.505 40.355 254 2HD1 ILE 40 2HD1 ILE 40 26.236 15.556 39.936 255 3HD1 ILE 40 3HD1 ILE 40 25.734 15.547 41.664 256 H ALA 41 H ALA 41 23.323 19.193 37.873 257 HA ALA 41 HA ALA 41 20.640 18.807 39.049 258 1HB ALA 41 1HB ALA 41 22.682 20.969 39.667 259 2HB ALA 41 2HB ALA 41 20.975 21.092 40.148 260 3HB ALA 41 3HB ALA 41 22.004 19.788 40.802 261 H TYR 42 H TYR 42 22.842 21.001 37.566 262 HA TYR 42 HA TYR 42 21.269 22.916 36.248 263 1HB TYR 42 2HB TYR 42 24.057 22.266 35.573 264 2HB TYR 42 3HB TYR 42 23.207 23.800 35.774 265 HD1 TYR 42 HD1 TYR 42 22.238 23.081 38.607 266 HD2 TYR 42 HD2 TYR 42 25.942 23.298 36.503 267 HE1 TYR 42 HE1 TYR 42 23.273 23.730 40.635 268 HE2 TYR 42 HE2 TYR 42 27.129 23.842 38.565 269 HH TYR 42 HH TYR 42 25.455 23.944 41.769 270 H GLU 43 H GLU 43 22.434 23.489 34.074 271 HA GLU 43 HA GLU 43 22.502 21.253 32.169 272 1HB GLU 43 2HB GLU 43 20.547 23.435 32.128 273 2HB GLU 43 3HB GLU 43 21.203 23.007 30.636 274 1HG GLU 43 2HG GLU 43 20.036 20.836 30.749 275 2HG GLU 43 3HG GLU 43 19.470 21.215 32.403 276 H CYS 44 H CYS 44 23.914 21.401 30.711 277 HA CYS 44 HA CYS 44 25.489 23.854 30.287 278 1HB CYS 44 2HB CYS 44 26.177 21.209 30.418 279 2HB CYS 44 3HB CYS 44 25.993 21.389 28.684 280 H CYS 45 H CYS 45 25.452 25.091 28.463 281 HA CYS 45 HA CYS 45 24.134 24.316 25.920 282 1HB CYS 45 2HB CYS 45 23.246 26.777 27.460 283 2HB CYS 45 3HB CYS 45 22.833 26.345 25.789 284 H LYS 46 H LYS 46 24.407 26.014 24.409 285 HA LYS 46 HA LYS 46 26.777 27.769 24.727 286 1HB LYS 46 2HB LYS 46 28.095 26.835 23.329 287 2HB LYS 46 3HB LYS 46 27.174 25.387 23.781 288 1HG LYS 46 2HG LYS 46 27.011 27.022 21.342 289 2HG LYS 46 3HG LYS 46 27.541 25.293 21.554 290 1HD LYS 46 2HD LYS 46 25.563 24.563 21.137 291 2HD LYS 46 3HD LYS 46 25.053 25.442 22.611 292 1HE LYS 46 2HE LYS 46 25.050 27.488 21.018 293 2HE LYS 46 3HE LYS 46 24.664 26.264 19.775 294 1HZ LYS 46 1HZ LYS 46 23.244 26.788 22.356 295 2HZ LYS 46 2HZ LYS 46 22.906 25.479 21.434 296 3HZ LYS 46 3HZ LYS 46 22.606 27.008 20.843 297 H GLN 47 H GLN 47 27.103 29.152 22.869 298 HA GLN 47 HA GLN 47 24.917 29.875 21.080 299 1HB GLN 47 2HB GLN 47 25.453 31.457 23.550 300 2HB GLN 47 3HB GLN 47 25.448 32.406 22.052 301 1HG GLN 47 2HG GLN 47 23.377 31.370 21.380 302 2HG GLN 47 3HG GLN 47 23.210 30.660 22.978 303 1HE2 GLN 47 1HE2 GLN 47 21.129 32.213 22.216 304 2HE2 GLN 47 2HE2 GLN 47 21.310 33.706 23.161 Start of MODEL 9 1 1H GLY 1 H GLY 1 27.514 33.664 35.001 2 1HA GLY 1 2HA GLY 1 26.266 31.542 34.787 3 2HA GLY 1 3HA GLY 1 26.697 31.570 33.078 4 H VAL 2 H VAL 2 27.522 29.382 34.143 5 HA VAL 2 HA VAL 2 30.189 29.709 35.430 6 HB VAL 2 HB VAL 2 28.659 27.365 34.725 7 1HG1 VAL 2 1HG1 VAL 2 29.797 26.041 36.431 8 2HG1 VAL 2 2HG1 VAL 2 30.876 26.587 35.189 9 3HG1 VAL 2 3HG1 VAL 2 30.863 27.442 36.762 10 1HG2 VAL 2 1HG2 VAL 2 28.562 28.554 37.362 11 2HG2 VAL 2 2HG2 VAL 2 27.238 28.523 36.123 12 3HG2 VAL 2 3HG2 VAL 2 27.799 26.983 36.785 13 HA HYP 3 HA HYP 3 31.700 28.374 31.430 14 1HB HYP 3 3HB HYP 3 34.133 28.359 31.605 15 2HB HYP 3 2HB HYP 3 34.082 27.197 32.940 16 1HD HYP 3 3HD HYP 3 32.129 29.874 34.876 17 2HD HYP 3 2HD HYP 3 32.589 28.187 35.179 18 HOD HYP 3 HOD HYP 3 32.954 30.499 32.444 19 HG HYP 3 HG HYP 3 34.638 29.044 34.217 20 H CYS 4 H CYS 4 30.937 26.746 30.292 21 HA CYS 4 HA CYS 4 31.723 24.061 30.963 22 1HB CYS 4 2HB CYS 4 29.859 24.462 32.504 23 2HB CYS 4 3HB CYS 4 28.862 24.780 31.044 24 H ARG 5 H ARG 5 32.353 23.238 29.182 25 HA ARG 5 HA ARG 5 31.430 24.050 26.634 26 1HB ARG 5 2HB ARG 5 32.927 22.456 25.703 27 2HB ARG 5 3HB ARG 5 33.630 23.638 26.763 28 1HG ARG 5 2HG ARG 5 33.612 21.879 28.552 29 2HG ARG 5 3HG ARG 5 33.046 20.741 27.261 30 1HD ARG 5 2HD ARG 5 35.305 20.388 26.935 31 2HD ARG 5 3HD ARG 5 35.148 21.911 26.034 32 HE ARG 5 HE ARG 5 36.645 22.774 27.273 33 1HH1 ARG 5 1HH1 ARG 5 35.355 20.210 29.347 34 2HH1 ARG 5 2HH1 ARG 5 36.283 20.804 30.714 35 1HH2 ARG 5 1HH2 ARG 5 37.737 23.268 28.828 36 2HH2 ARG 5 2HH2 ARG 5 37.807 22.434 30.399 37 H CYS 6 H CYS 6 31.292 22.304 25.054 38 HA CYS 6 HA CYS 6 28.826 20.683 25.484 39 1HB CYS 6 2HB CYS 6 29.911 20.958 22.737 40 2HB CYS 6 3HB CYS 6 28.263 21.086 23.391 41 H ASP 7 H ASP 7 28.870 18.534 24.063 42 HA ASP 7 HA ASP 7 30.522 16.654 25.289 43 1HB ASP 7 2HB ASP 7 28.497 15.925 24.342 44 2HB ASP 7 3HB ASP 7 28.894 16.627 22.780 45 H SER 8 H SER 8 31.050 17.986 22.065 46 HA SER 8 HA SER 8 33.706 16.589 21.864 47 1HB SER 8 2HB SER 8 32.142 16.334 20.013 48 2HB SER 8 3HB SER 8 32.008 18.082 19.827 49 HG SER 8 HG SER 8 33.575 16.775 18.435 50 H ASP 9 H ASP 9 32.344 19.748 22.237 51 HA ASP 9 HA ASP 9 32.939 21.831 22.242 52 1HB ASP 9 2HB ASP 9 34.431 22.452 23.971 53 2HB ASP 9 3HB ASP 9 33.858 20.837 24.341 54 H GLY 10 H GLY 10 35.095 20.058 20.475 55 1HA GLY 10 2HA GLY 10 36.692 21.908 19.254 56 2HA GLY 10 3HA GLY 10 35.944 20.423 18.490 57 HA PRO 11 HA PRO 11 33.872 22.506 15.458 58 1HB PRO 11 2HB PRO 11 31.303 21.374 15.607 59 2HB PRO 11 3HB PRO 11 32.739 20.542 14.928 60 1HG PRO 11 2HG PRO 11 31.823 20.491 17.863 61 2HG PRO 11 3HG PRO 11 32.069 19.054 16.771 62 1HD PRO 11 2HD PRO 11 33.868 19.766 18.431 63 2HD PRO 11 3HD PRO 11 34.391 19.534 16.731 64 H SER 12 H SER 12 33.149 23.153 18.706 65 HA SER 12 HA SER 12 30.833 24.965 18.214 66 1HB SER 12 2HB SER 12 32.145 24.143 20.786 67 2HB SER 12 3HB SER 12 30.617 25.021 20.584 68 HG SER 12 HG SER 12 29.914 23.087 19.381 69 H VAL 13 H VAL 13 34.240 25.131 18.740 70 HA VAL 13 HA VAL 13 34.291 28.025 18.237 71 HB VAL 13 HB VAL 13 33.411 28.163 20.373 72 1HG1 VAL 13 1HG1 VAL 13 34.286 26.867 22.330 73 2HG1 VAL 13 2HG1 VAL 13 33.464 25.879 21.092 74 3HG1 VAL 13 3HG1 VAL 13 35.214 25.853 21.165 75 1HG2 VAL 13 1HG2 VAL 13 35.354 29.455 19.739 76 2HG2 VAL 13 2HG2 VAL 13 35.011 29.375 21.492 77 3HG2 VAL 13 3HG2 VAL 13 36.358 28.420 20.820 78 H HIS 14 H HIS 14 36.430 28.790 18.039 79 HA HIS 14 HA HIS 14 38.480 26.834 17.366 80 1HB HIS 14 2HB HIS 14 39.797 28.942 17.006 81 2HB HIS 14 3HB HIS 14 38.455 28.584 15.921 82 HD1 HIS 14 HD1 HIS 14 39.266 30.911 18.896 83 HD2 HIS 14 HD2 HIS 14 36.334 30.251 15.969 84 HE1 HIS 14 HE1 HIS 14 37.683 32.961 18.960 85 H GLY 15 H GLY 15 38.545 25.857 19.361 86 1HA GLY 15 2HA GLY 15 40.690 25.478 20.725 87 2HA GLY 15 3HA GLY 15 40.430 27.092 21.356 88 H ASN 16 H ASN 16 40.471 24.303 22.557 89 HA ASN 16 HA ASN 16 38.264 23.268 23.587 90 1HB ASN 16 2HB ASN 16 40.641 22.448 23.555 91 2HB ASN 16 3HB ASN 16 41.023 23.515 24.920 92 1HD2 ASN 16 1HD2 ASN 16 38.255 21.475 24.203 93 2HD2 ASN 16 2HD2 ASN 16 38.421 20.369 25.528 94 H THR 17 H THR 17 38.462 26.065 24.122 95 HA THR 17 HA THR 17 38.223 26.759 26.896 96 HB THR 17 HB THR 17 37.583 28.985 26.067 97 HG1 THR 17 HG1 THR 17 37.429 27.693 23.525 98 1HG2 THR 17 1HG2 THR 17 39.911 28.230 26.071 99 2HG2 THR 17 2HG2 THR 17 39.608 29.423 24.783 100 3HG2 THR 17 3HG2 THR 17 39.767 27.691 24.379 101 H LEU 18 H LEU 18 36.708 27.339 28.112 102 HA LEU 18 HA LEU 18 34.077 26.294 27.758 103 1HB LEU 18 2HB LEU 18 35.419 27.628 30.038 104 2HB LEU 18 3HB LEU 18 33.755 26.920 30.042 105 HG LEU 18 HG LEU 18 36.201 25.295 29.213 106 1HD1 LEU 18 1HD1 LEU 18 34.761 25.484 31.816 107 2HD1 LEU 18 2HD1 LEU 18 36.320 26.277 31.462 108 3HD1 LEU 18 3HD1 LEU 18 36.202 24.489 31.463 109 1HD2 LEU 18 1HD2 LEU 18 34.086 24.467 28.451 110 2HD2 LEU 18 2HD2 LEU 18 33.350 24.795 30.070 111 3HD2 LEU 18 3HD2 LEU 18 34.532 23.458 29.776 112 H SER 19 H SER 19 34.129 27.791 25.761 113 HA SER 19 HA SER 19 32.980 30.481 26.143 114 1HB SER 19 2HB SER 19 33.061 28.647 23.691 115 2HB SER 19 3HB SER 19 32.475 30.322 23.716 116 HG SER 19 HG SER 19 35.123 29.363 24.007 117 H GLY 20 H GLY 20 31.912 27.189 26.106 118 1HA GLY 20 2HA GLY 20 29.041 27.641 25.822 119 2HA GLY 20 3HA GLY 20 29.832 26.116 26.307 120 H THR 21 H THR 21 27.576 27.396 27.769 121 HA THR 21 HA THR 21 28.946 27.926 30.349 122 HB THR 21 HB THR 21 26.599 29.450 29.148 123 HG1 THR 21 HG1 THR 21 28.248 31.153 29.073 124 1HG2 THR 21 1HG2 THR 21 26.963 31.130 30.761 125 2HG2 THR 21 2HG2 THR 21 28.271 30.173 31.533 126 3HG2 THR 21 3HG2 THR 21 26.579 29.584 31.579 127 H VAL 22 H VAL 22 27.881 27.157 32.168 128 HA VAL 22 HA VAL 22 25.461 25.631 31.746 129 HB VAL 22 HB VAL 22 26.992 24.299 32.593 130 1HG1 VAL 22 1HG1 VAL 22 28.024 24.391 34.691 131 2HG1 VAL 22 2HG1 VAL 22 28.550 25.719 33.567 132 3HG1 VAL 22 3HG1 VAL 22 27.248 25.965 34.886 133 1HG2 VAL 22 1HG2 VAL 22 25.700 23.422 34.274 134 2HG2 VAL 22 2HG2 VAL 22 25.138 25.037 34.927 135 3HG2 VAL 22 3HG2 VAL 22 24.538 24.332 33.390 136 H TRP 23 H TRP 23 23.903 25.939 32.605 137 HA TRP 23 HA TRP 23 23.107 28.305 34.210 138 1HB TRP 23 2HB TRP 23 21.389 26.995 32.077 139 2HB TRP 23 3HB TRP 23 21.176 28.610 32.792 140 HD1 TRP 23 HD1 TRP 23 22.931 26.698 30.063 141 HE1 TRP 23 HE1 TRP 23 24.348 28.294 28.595 142 HE3 TRP 23 HE3 TRP 23 22.606 30.962 32.847 143 HZ2 TRP 23 HZ2 TRP 23 24.915 31.060 28.488 144 HZ3 TRP 23 HZ3 TRP 23 23.489 33.131 31.964 145 HH2 TRP 23 HH2 TRP 23 24.575 33.164 29.685 146 H VAL 24 H VAL 24 22.200 27.735 35.901 147 HA VAL 24 HA VAL 24 21.752 24.844 36.370 148 HB VAL 24 HB VAL 24 22.286 27.190 38.133 149 1HG1 VAL 24 1HG1 VAL 24 21.431 24.426 38.894 150 2HG1 VAL 24 2HG1 VAL 24 22.233 25.582 40.010 151 3HG1 VAL 24 3HG1 VAL 24 20.648 25.919 39.247 152 1HG2 VAL 24 1HG2 VAL 24 24.196 26.971 37.167 153 2HG2 VAL 24 2HG2 VAL 24 24.432 25.772 38.454 154 3HG2 VAL 24 3HG2 VAL 24 24.058 25.332 36.724 155 H GLY 25 H GLY 25 19.893 24.025 37.000 156 1HA GLY 25 2HA GLY 25 17.655 23.993 37.583 157 2HA GLY 25 3HA GLY 25 17.739 25.752 37.697 158 H SER 26 H SER 26 18.760 25.755 34.789 159 HA SER 26 HA SER 26 17.351 24.553 32.751 160 1HB SER 26 2HB SER 26 15.260 25.386 33.390 161 2HB SER 26 3HB SER 26 15.913 26.994 33.781 162 HG SER 26 HG SER 26 16.131 27.382 31.570 163 H CYS 27 H CYS 27 17.776 25.411 30.774 164 HA CYS 27 HA CYS 27 20.224 26.979 30.288 165 1HB CYS 27 2HB CYS 27 19.092 25.136 28.815 166 2HB CYS 27 3HB CYS 27 17.995 26.425 28.313 167 H ALA 28 H ALA 28 20.544 28.800 29.246 168 HA ALA 28 HA ALA 28 18.951 31.064 29.986 169 1HB ALA 28 1HB ALA 28 20.691 32.201 28.465 170 2HB ALA 28 2HB ALA 28 21.305 31.259 29.836 171 3HB ALA 28 3HB ALA 28 21.374 30.552 28.232 172 H SER 29 H SER 29 17.451 32.047 28.935 173 HA SER 29 HA SER 29 15.583 31.231 27.308 174 1HB SER 29 2HB SER 29 16.494 34.084 27.057 175 2HB SER 29 3HB SER 29 14.838 33.453 27.190 176 HG SER 29 HG SER 29 15.587 32.723 29.378 177 H GLY 30 H GLY 30 18.546 32.323 25.844 178 1HA GLY 30 2HA GLY 30 17.322 32.125 23.093 179 2HA GLY 30 3HA GLY 30 18.582 33.284 23.521 180 H TRP 31 H TRP 31 19.210 30.417 25.078 181 HA TRP 31 HA TRP 31 21.302 29.636 23.067 182 1HB TRP 31 2HB TRP 31 21.132 28.880 25.990 183 2HB TRP 31 3HB TRP 31 22.416 28.545 24.908 184 HD1 TRP 31 HD1 TRP 31 21.010 32.149 25.573 185 HE1 TRP 31 HE1 TRP 31 23.028 33.617 26.138 186 HE3 TRP 31 HE3 TRP 31 24.565 28.560 25.859 187 HZ2 TRP 31 HZ2 TRP 31 25.798 33.285 26.492 188 HZ3 TRP 31 HZ3 TRP 31 26.905 29.130 26.567 189 HH2 TRP 31 HH2 TRP 31 27.567 31.467 26.812 190 H HIS 32 H HIS 32 21.829 27.114 23.472 191 HA HIS 32 HA HIS 32 19.428 25.518 23.939 192 1HB HIS 32 2HB HIS 32 20.763 25.155 21.247 193 2HB HIS 32 3HB HIS 32 19.315 24.372 21.853 194 HD1 HIS 32 HD1 HIS 32 17.109 25.425 20.841 195 HD2 HIS 32 HD2 HIS 32 20.475 27.949 20.834 196 HE1 HIS 32 HE1 HIS 32 16.456 27.474 19.488 197 H LYS 33 H LYS 33 19.917 23.243 23.782 198 HA LYS 33 HA LYS 33 22.298 22.459 25.207 199 1HB LYS 33 2HB LYS 33 19.895 21.106 24.203 200 2HB LYS 33 3HB LYS 33 21.371 20.134 23.978 201 1HG LYS 33 2HG LYS 33 20.572 19.622 26.067 202 2HG LYS 33 3HG LYS 33 22.007 20.637 26.332 203 1HD LYS 33 2HD LYS 33 20.653 22.632 26.684 204 2HD LYS 33 3HD LYS 33 19.147 21.801 26.207 205 1HE LYS 33 2HE LYS 33 21.004 20.965 28.387 206 2HE LYS 33 3HE LYS 33 19.556 21.993 28.671 207 1HZ LYS 33 1HZ LYS 33 18.169 20.164 27.964 208 2HZ LYS 33 2HZ LYS 33 19.237 19.524 29.017 209 3HZ LYS 33 3HZ LYS 33 19.522 19.334 27.411 210 H CYS 34 H CYS 34 24.239 22.296 24.565 211 HA CYS 34 HA CYS 34 24.893 21.829 21.712 212 1HB CYS 34 2HB CYS 34 25.757 23.697 23.219 213 2HB CYS 34 3HB CYS 34 26.656 22.467 24.085 214 H ASN 35 H ASN 35 24.001 19.792 24.401 215 HA ASN 35 HA ASN 35 25.509 17.632 23.182 216 1HB ASN 35 2HB ASN 35 26.526 16.893 25.288 217 2HB ASN 35 3HB ASN 35 27.203 18.410 24.759 218 1HD2 ASN 35 1HD2 ASN 35 26.588 16.941 27.425 219 2HD2 ASN 35 2HD2 ASN 35 25.336 17.974 28.027 220 H ASP 36 H ASP 36 24.909 15.581 24.141 221 HA ASP 36 HA ASP 36 22.104 15.341 24.160 222 1HB ASP 36 2HB ASP 36 24.365 13.703 23.752 223 2HB ASP 36 3HB ASP 36 23.705 13.037 25.201 224 H GLU 37 H GLU 37 24.412 15.112 26.670 225 HA GLU 37 HA GLU 37 22.460 14.883 28.868 226 1HB GLU 37 2HB GLU 37 24.432 14.406 30.231 227 2HB GLU 37 3HB GLU 37 24.285 13.311 28.840 228 1HG GLU 37 2HG GLU 37 25.880 15.048 27.646 229 2HG GLU 37 3HG GLU 37 26.166 15.624 29.284 230 H TYR 38 H TYR 38 23.526 16.365 30.969 231 HA TYR 38 HA TYR 38 23.998 19.078 29.880 232 1HB TYR 38 2HB TYR 38 22.200 18.986 32.120 233 2HB TYR 38 3HB TYR 38 22.108 19.868 30.560 234 HD1 TYR 38 HD1 TYR 38 21.325 18.780 28.620 235 HD2 TYR 38 HD2 TYR 38 20.998 17.107 32.534 236 HE1 TYR 38 HE1 TYR 38 19.857 16.898 27.699 237 HE2 TYR 38 HE2 TYR 38 19.565 15.274 31.699 238 HH TYR 38 HH TYR 38 18.972 14.148 29.569 239 H ASN 39 H ASN 39 23.260 17.573 32.999 240 HA ASN 39 HA ASN 39 25.743 17.617 34.225 241 1HB ASN 39 2HB ASN 39 24.927 20.276 33.859 242 2HB ASN 39 3HB ASN 39 24.480 19.907 35.514 243 1HD2 ASN 39 1HD2 ASN 39 26.967 20.828 33.529 244 2HD2 ASN 39 2HD2 ASN 39 28.306 20.538 34.654 245 H ILE 40 H ILE 40 25.659 17.791 36.602 246 HA ILE 40 HA ILE 40 24.432 15.883 37.956 247 HB ILE 40 HB ILE 40 26.435 17.252 38.446 248 1HG1 ILE 40 2HG1 ILE 40 26.302 17.493 40.800 249 2HG1 ILE 40 3HG1 ILE 40 24.529 17.520 40.787 250 1HG2 ILE 40 1HG2 ILE 40 24.491 19.325 39.485 251 2HG2 ILE 40 2HG2 ILE 40 26.268 19.444 39.379 252 3HG2 ILE 40 3HG2 ILE 40 25.293 19.429 37.877 253 1HD1 ILE 40 1HD1 ILE 40 26.126 15.202 39.640 254 2HD1 ILE 40 2HD1 ILE 40 25.601 15.225 41.360 255 3HD1 ILE 40 3HD1 ILE 40 24.404 15.245 40.041 256 H ALA 41 H ALA 41 23.457 18.982 37.550 257 HA ALA 41 HA ALA 41 20.723 18.758 38.675 258 1HB ALA 41 1HB ALA 41 21.175 20.958 39.864 259 2HB ALA 41 2HB ALA 41 22.150 19.590 40.473 260 3HB ALA 41 3HB ALA 41 22.869 20.778 39.361 261 H TYR 42 H TYR 42 23.119 20.747 37.138 262 HA TYR 42 HA TYR 42 21.576 22.799 35.949 263 1HB TYR 42 2HB TYR 42 24.368 22.090 35.261 264 2HB TYR 42 3HB TYR 42 23.532 23.642 35.498 265 HD1 TYR 42 HD1 TYR 42 22.585 22.856 38.314 266 HD2 TYR 42 HD2 TYR 42 26.255 23.116 36.180 267 HE1 TYR 42 HE1 TYR 42 23.634 23.413 40.344 268 HE2 TYR 42 HE2 TYR 42 27.464 23.604 38.236 269 HH TYR 42 HH TYR 42 25.724 23.798 41.431 270 H GLU 43 H GLU 43 22.709 23.425 33.786 271 HA GLU 43 HA GLU 43 22.893 21.253 31.807 272 1HB GLU 43 2HB GLU 43 20.988 23.531 31.512 273 2HB GLU 43 3HB GLU 43 21.528 22.574 30.233 274 1HG GLU 43 2HG GLU 43 20.098 20.764 30.878 275 2HG GLU 43 3HG GLU 43 20.001 21.343 32.558 276 H CYS 44 H CYS 44 24.448 21.528 30.528 277 HA CYS 44 HA CYS 44 25.799 24.106 30.147 278 1HB CYS 44 2HB CYS 44 26.477 21.268 29.350 279 2HB CYS 44 3HB CYS 44 27.517 22.683 29.066 280 H CYS 45 H CYS 45 25.100 25.427 28.654 281 HA CYS 45 HA CYS 45 24.089 24.442 25.970 282 1HB CYS 45 2HB CYS 45 23.281 26.978 27.419 283 2HB CYS 45 3HB CYS 45 22.795 26.455 25.792 284 H LYS 46 H LYS 46 24.368 26.141 24.371 285 HA LYS 46 HA LYS 46 26.877 27.708 24.698 286 1HB LYS 46 2HB LYS 46 28.115 26.677 23.255 287 2HB LYS 46 3HB LYS 46 27.078 25.288 23.640 288 1HG LYS 46 2HG LYS 46 26.873 27.149 21.328 289 2HG LYS 46 3HG LYS 46 27.421 25.444 21.336 290 1HD LYS 46 2HD LYS 46 25.416 24.656 21.117 291 2HD LYS 46 3HD LYS 46 24.972 25.523 22.605 292 1HE LYS 46 2HE LYS 46 24.978 27.600 21.047 293 2HE LYS 46 3HE LYS 46 24.497 26.386 19.810 294 1HZ LYS 46 1HZ LYS 46 23.196 27.114 22.373 295 2HZ LYS 46 2HZ LYS 46 22.867 25.671 21.684 296 3HZ LYS 46 3HZ LYS 46 22.513 27.098 20.838 297 H GLN 47 H GLN 47 27.303 29.153 23.036 298 HA GLN 47 HA GLN 47 25.419 30.209 21.133 299 1HB GLN 47 2HB GLN 47 25.416 31.290 23.863 300 2HB GLN 47 3HB GLN 47 25.800 32.523 22.672 301 1HG GLN 47 2HG GLN 47 23.863 31.775 21.366 302 2HG GLN 47 3HG GLN 47 23.314 30.838 22.757 303 1HE2 GLN 47 1HE2 GLN 47 21.336 32.329 22.513 304 2HE2 GLN 47 2HE2 GLN 47 21.575 33.834 23.420 Start of MODEL 10 1 1H GLY 1 H GLY 1 27.257 33.381 35.913 2 1HA GLY 1 2HA GLY 1 26.130 31.331 35.306 3 2HA GLY 1 3HA GLY 1 26.642 31.608 33.638 4 H VAL 2 H VAL 2 27.414 29.309 34.545 5 HA VAL 2 HA VAL 2 30.145 29.522 35.721 6 HB VAL 2 HB VAL 2 28.504 27.260 35.018 7 1HG1 VAL 2 1HG1 VAL 2 29.672 25.828 36.631 8 2HG1 VAL 2 2HG1 VAL 2 30.696 26.371 35.344 9 3HG1 VAL 2 3HG1 VAL 2 30.802 27.179 36.940 10 1HG2 VAL 2 1HG2 VAL 2 27.750 26.806 37.129 11 2HG2 VAL 2 2HG2 VAL 2 28.538 28.372 37.685 12 3HG2 VAL 2 3HG2 VAL 2 27.161 28.340 36.501 13 HA HYP 3 HA HYP 3 31.395 28.290 31.610 14 1HB HYP 3 3HB HYP 3 33.845 28.134 31.661 15 2HB HYP 3 2HB HYP 3 33.773 26.917 32.933 16 1HD HYP 3 3HD HYP 3 32.071 29.540 35.143 17 2HD HYP 3 2HD HYP 3 32.462 27.818 35.290 18 HOD HYP 3 HOD HYP 3 33.925 30.734 33.979 19 HG HYP 3 HG HYP 3 34.490 28.625 34.294 20 H CYS 4 H CYS 4 30.562 26.685 30.407 21 HA CYS 4 HA CYS 4 31.221 23.950 31.133 22 1HB CYS 4 2HB CYS 4 29.311 24.418 32.542 23 2HB CYS 4 3HB CYS 4 28.405 24.858 31.058 24 H ARG 5 H ARG 5 31.714 22.872 29.477 25 HA ARG 5 HA ARG 5 31.259 23.787 26.820 26 1HB ARG 5 2HB ARG 5 32.676 22.023 26.094 27 2HB ARG 5 3HB ARG 5 33.386 23.044 27.338 28 1HG ARG 5 2HG ARG 5 32.945 21.438 29.008 29 2HG ARG 5 3HG ARG 5 32.314 20.294 27.725 30 1HD ARG 5 2HD ARG 5 34.524 19.660 27.417 31 2HD ARG 5 3HD ARG 5 34.730 21.298 26.732 32 HE ARG 5 HE ARG 5 35.021 20.967 29.602 33 1HH1 ARG 5 1HH1 ARG 5 36.824 21.289 26.503 34 2HH1 ARG 5 2HH1 ARG 5 38.257 21.699 27.386 35 1HH2 ARG 5 1HH2 ARG 5 36.697 21.595 30.422 36 2HH2 ARG 5 2HH2 ARG 5 38.251 21.886 29.589 37 H CYS 6 H CYS 6 31.040 22.172 25.161 38 HA CYS 6 HA CYS 6 28.314 20.939 25.282 39 1HB CYS 6 2HB CYS 6 29.755 22.284 22.944 40 2HB CYS 6 3HB CYS 6 28.075 21.751 22.933 41 H ASP 7 H ASP 7 27.979 19.276 23.497 42 HA ASP 7 HA ASP 7 29.455 16.968 24.083 43 1HB ASP 7 2HB ASP 7 28.282 15.891 22.250 44 2HB ASP 7 3HB ASP 7 27.216 16.832 23.279 45 H SER 8 H SER 8 29.908 19.126 21.500 46 HA SER 8 HA SER 8 32.543 17.912 20.708 47 1HB SER 8 2HB SER 8 30.787 17.572 19.012 48 2HB SER 8 3HB SER 8 30.441 19.315 19.021 49 HG SER 8 HG SER 8 32.503 19.700 18.290 50 H ASP 9 H ASP 9 32.948 19.470 22.696 51 HA ASP 9 HA ASP 9 32.790 22.147 22.634 52 1HB ASP 9 2HB ASP 9 34.243 22.231 24.451 53 2HB ASP 9 3HB ASP 9 33.577 20.611 24.507 54 H GLY 10 H GLY 10 34.925 20.456 20.603 55 1HA GLY 10 2HA GLY 10 35.778 21.389 18.644 56 2HA GLY 10 3HA GLY 10 35.720 23.010 19.378 57 HA PRO 11 HA PRO 11 39.845 20.842 20.343 58 1HB PRO 11 2HB PRO 11 40.405 18.520 18.852 59 2HB PRO 11 3HB PRO 11 39.657 18.519 20.490 60 1HG PRO 11 2HG PRO 11 38.153 18.637 17.809 61 2HG PRO 11 3HG PRO 11 37.956 17.405 19.124 62 1HD PRO 11 2HD PRO 11 36.351 19.437 18.919 63 2HD PRO 11 3HD PRO 11 37.060 19.126 20.534 64 H SER 12 H SER 12 38.542 20.717 17.116 65 HA SER 12 HA SER 12 41.029 21.395 15.713 66 1HB SER 12 2HB SER 12 39.334 19.773 14.836 67 2HB SER 12 3HB SER 12 38.209 21.130 14.639 68 HG SER 12 HG SER 12 40.054 22.085 13.380 69 H VAL 13 H VAL 13 39.072 23.456 17.369 70 HA VAL 13 HA VAL 13 39.918 25.645 15.513 71 HB VAL 13 HB VAL 13 37.177 25.775 16.735 72 1HG1 VAL 13 1HG1 VAL 13 36.747 26.824 14.474 73 2HG1 VAL 13 2HG1 VAL 13 37.974 27.679 15.396 74 3HG1 VAL 13 3HG1 VAL 13 38.474 26.587 14.098 75 1HG2 VAL 13 1HG2 VAL 13 36.174 24.540 14.824 76 2HG2 VAL 13 2HG2 VAL 13 37.813 24.050 14.298 77 3HG2 VAL 13 3HG2 VAL 13 37.182 23.470 15.832 78 H HIS 14 H HIS 14 39.533 27.784 16.297 79 HA HIS 14 HA HIS 14 41.142 28.470 18.420 80 1HB HIS 14 2HB HIS 14 38.827 30.238 17.575 81 2HB HIS 14 3HB HIS 14 40.472 30.691 17.981 82 HD1 HIS 14 HD1 HIS 14 38.522 31.017 15.155 83 HD2 HIS 14 HD2 HIS 14 42.020 28.767 15.840 84 HE1 HIS 14 HE1 HIS 14 39.579 30.578 12.874 85 H GLY 15 H GLY 15 37.618 27.986 18.626 86 1HA GLY 15 2HA GLY 15 37.502 29.065 21.336 87 2HA GLY 15 3HA GLY 15 36.132 28.473 20.410 88 H ASN 16 H ASN 16 39.060 26.803 21.146 89 HA ASN 16 HA ASN 16 37.968 24.414 22.097 90 1HB ASN 16 2HB ASN 16 40.151 24.872 20.947 91 2HB ASN 16 3HB ASN 16 40.846 25.487 22.442 92 1HD2 ASN 16 1HD2 ASN 16 38.756 22.830 21.702 93 2HD2 ASN 16 2HD2 ASN 16 39.703 21.558 22.549 94 H THR 17 H THR 17 37.180 26.554 23.740 95 HA THR 17 HA THR 17 37.773 25.571 26.523 96 HB THR 17 HB THR 17 37.924 27.871 27.352 97 HG1 THR 17 HG1 THR 17 38.092 28.812 24.704 98 1HG2 THR 17 1HG2 THR 17 39.819 27.510 25.021 99 2HG2 THR 17 2HG2 THR 17 40.022 26.803 26.653 100 3HG2 THR 17 3HG2 THR 17 40.076 28.562 26.444 101 H LEU 18 H LEU 18 36.363 26.769 28.115 102 HA LEU 18 HA LEU 18 33.738 25.955 27.688 103 1HB LEU 18 2HB LEU 18 35.047 27.332 29.971 104 2HB LEU 18 3HB LEU 18 33.376 26.651 29.988 105 HG LEU 18 HG LEU 18 35.690 24.901 29.128 106 1HD1 LEU 18 1HD1 LEU 18 34.655 25.266 31.900 107 2HD1 LEU 18 2HD1 LEU 18 36.124 26.058 31.270 108 3HD1 LEU 18 3HD1 LEU 18 36.027 24.262 31.361 109 1HD2 LEU 18 1HD2 LEU 18 33.293 24.421 28.796 110 2HD2 LEU 18 2HD2 LEU 18 33.045 24.451 30.536 111 3HD2 LEU 18 3HD2 LEU 18 34.090 23.176 29.723 112 H SER 19 H SER 19 33.542 27.292 25.726 113 HA SER 19 HA SER 19 32.695 30.072 25.824 114 1HB SER 19 2HB SER 19 31.875 29.426 23.466 115 2HB SER 19 3HB SER 19 33.614 29.259 23.773 116 HG SER 19 HG SER 19 33.470 27.158 23.544 117 H GLY 20 H GLY 20 31.256 26.974 26.274 118 1HA GLY 20 2HA GLY 20 28.448 27.836 26.098 119 2HA GLY 20 3HA GLY 20 29.031 26.221 26.542 120 H THR 21 H THR 21 27.035 27.477 28.078 121 HA THR 21 HA THR 21 28.461 28.072 30.623 122 HB THR 21 HB THR 21 25.992 29.489 29.528 123 HG1 THR 21 HG1 THR 21 27.389 31.234 29.209 124 1HG2 THR 21 1HG2 THR 21 27.819 30.247 31.798 125 2HG2 THR 21 2HG2 THR 21 26.138 29.662 31.935 126 3HG2 THR 21 3HG2 THR 21 26.477 31.222 31.110 127 H VAL 22 H VAL 22 27.489 27.240 32.483 128 HA VAL 22 HA VAL 22 25.048 25.721 32.157 129 HB VAL 22 HB VAL 22 26.609 24.351 32.864 130 1HG1 VAL 22 1HG1 VAL 22 27.780 24.338 34.873 131 2HG1 VAL 22 2HG1 VAL 22 28.245 25.710 33.780 132 3HG1 VAL 22 3HG1 VAL 22 27.053 25.915 35.193 133 1HG2 VAL 22 1HG2 VAL 22 24.946 24.990 35.384 134 2HG2 VAL 22 2HG2 VAL 22 24.205 24.407 33.869 135 3HG2 VAL 22 3HG2 VAL 22 25.418 23.419 34.592 136 H TRP 23 H TRP 23 23.549 26.049 33.157 137 HA TRP 23 HA TRP 23 22.914 28.351 34.916 138 1HB TRP 23 2HB TRP 23 20.969 27.271 32.839 139 2HB TRP 23 3HB TRP 23 20.958 28.859 33.601 140 HD1 TRP 23 HD1 TRP 23 22.457 26.838 30.766 141 HE1 TRP 23 HE1 TRP 23 23.750 28.374 29.145 142 HE3 TRP 23 HE3 TRP 23 22.266 31.206 33.394 143 HZ2 TRP 23 HZ2 TRP 23 24.277 31.132 28.893 144 HZ3 TRP 23 HZ3 TRP 23 23.062 33.349 32.367 145 HH2 TRP 23 HH2 TRP 23 24.005 33.305 30.031 146 H VAL 24 H VAL 24 21.940 27.629 36.650 147 HA VAL 24 HA VAL 24 21.445 24.728 36.667 148 HB VAL 24 HB VAL 24 21.852 24.563 38.720 149 1HG1 VAL 24 1HG1 VAL 24 24.040 25.411 38.996 150 2HG1 VAL 24 2HG1 VAL 24 23.785 25.313 37.194 151 3HG1 VAL 24 3HG1 VAL 24 23.684 26.880 38.029 152 1HG2 VAL 24 1HG2 VAL 24 20.202 26.042 39.616 153 2HG2 VAL 24 2HG2 VAL 24 21.771 26.201 40.479 154 3HG2 VAL 24 3HG2 VAL 24 21.271 27.441 39.288 155 H GLY 25 H GLY 25 19.602 23.943 37.828 156 1HA GLY 25 2HA GLY 25 17.335 24.020 38.299 157 2HA GLY 25 3HA GLY 25 17.383 25.775 38.120 158 H SER 26 H SER 26 17.943 26.368 35.616 159 HA SER 26 HA SER 26 16.951 24.676 33.458 160 1HB SER 26 2HB SER 26 14.799 25.439 34.139 161 2HB SER 26 3HB SER 26 15.392 27.091 34.409 162 HG SER 26 HG SER 26 15.597 27.338 32.170 163 H CYS 27 H CYS 27 17.215 25.622 31.436 164 HA CYS 27 HA CYS 27 19.652 27.235 30.996 165 1HB CYS 27 2HB CYS 27 18.613 25.349 29.509 166 2HB CYS 27 3HB CYS 27 17.498 26.592 28.953 167 H ALA 28 H ALA 28 19.870 29.007 29.786 168 HA ALA 28 HA ALA 28 18.295 31.294 30.515 169 1HB ALA 28 1HB ALA 28 20.756 30.735 28.827 170 2HB ALA 28 2HB ALA 28 20.157 32.387 29.115 171 3HB ALA 28 3HB ALA 28 20.690 31.357 30.475 172 H SER 29 H SER 29 16.939 32.419 29.318 173 HA SER 29 HA SER 29 15.022 31.784 27.761 174 1HB SER 29 2HB SER 29 15.063 34.115 26.759 175 2HB SER 29 3HB SER 29 15.226 34.010 28.529 176 HG SER 29 HG SER 29 16.855 35.253 26.955 177 H GLY 30 H GLY 30 17.767 33.097 26.031 178 1HA GLY 30 2HA GLY 30 16.730 32.140 23.410 179 2HA GLY 30 3HA GLY 30 18.039 33.293 23.678 180 H TRP 31 H TRP 31 18.472 30.450 25.475 181 HA TRP 31 HA TRP 31 20.631 29.649 23.543 182 1HB TRP 31 2HB TRP 31 20.460 28.930 26.441 183 2HB TRP 31 3HB TRP 31 21.766 28.641 25.363 184 HD1 TRP 31 HD1 TRP 31 20.170 32.155 26.215 185 HE1 TRP 31 HE1 TRP 31 22.117 33.711 26.809 186 HE3 TRP 31 HE3 TRP 31 23.932 28.799 26.074 187 HZ2 TRP 31 HZ2 TRP 31 25.019 33.503 26.979 188 HZ3 TRP 31 HZ3 TRP 31 26.242 29.388 26.753 189 HH2 TRP 31 HH2 TRP 31 26.825 31.750 27.132 190 H HIS 32 H HIS 32 21.177 27.149 23.857 191 HA HIS 32 HA HIS 32 18.784 25.472 24.308 192 1HB HIS 32 2HB HIS 32 20.131 25.276 21.589 193 2HB HIS 32 3HB HIS 32 18.731 24.389 22.151 194 HD1 HIS 32 HD1 HIS 32 16.416 25.362 21.448 195 HD2 HIS 32 HD2 HIS 32 19.677 27.997 21.210 196 HE1 HIS 32 HE1 HIS 32 15.568 27.469 20.255 197 H LYS 33 H LYS 33 19.296 23.197 23.961 198 HA LYS 33 HA LYS 33 21.622 22.301 25.404 199 1HB LYS 33 2HB LYS 33 19.244 21.003 24.293 200 2HB LYS 33 3HB LYS 33 20.714 20.058 23.985 201 1HG LYS 33 2HG LYS 33 19.952 19.417 26.186 202 2HG LYS 33 3HG LYS 33 21.361 20.490 26.426 203 1HD LYS 33 2HD LYS 33 19.715 22.429 26.561 204 2HD LYS 33 3HD LYS 33 18.399 21.206 26.555 205 1HE LYS 33 2HE LYS 33 18.769 21.140 28.802 206 2HE LYS 33 3HE LYS 33 20.166 20.151 28.289 207 1HZ LYS 33 1HZ LYS 33 20.932 21.858 29.711 208 2HZ LYS 33 2HZ LYS 33 20.101 23.000 28.942 209 3HZ LYS 33 3HZ LYS 33 21.458 22.296 28.212 210 H CYS 34 H CYS 34 23.555 22.437 24.810 211 HA CYS 34 HA CYS 34 24.330 21.981 21.991 212 1HB CYS 34 2HB CYS 34 26.311 23.043 22.520 213 2HB CYS 34 3HB CYS 34 25.011 23.966 23.257 214 H ASN 35 H ASN 35 23.491 19.934 24.355 215 HA ASN 35 HA ASN 35 25.148 17.804 23.318 216 1HB ASN 35 2HB ASN 35 26.061 17.135 25.523 217 2HB ASN 35 3HB ASN 35 26.749 18.627 24.966 218 1HD2 ASN 35 1HD2 ASN 35 26.203 17.333 27.669 219 2HD2 ASN 35 2HD2 ASN 35 24.804 18.266 28.116 220 H ASP 36 H ASP 36 24.505 15.724 24.277 221 HA ASP 36 HA ASP 36 21.683 15.433 24.216 222 1HB ASP 36 2HB ASP 36 23.725 13.839 23.589 223 2HB ASP 36 3HB ASP 36 23.613 13.351 25.281 224 H GLU 37 H GLU 37 23.922 15.481 26.785 225 HA GLU 37 HA GLU 37 21.917 15.127 28.911 226 1HB GLU 37 2HB GLU 37 23.832 14.703 30.357 227 2HB GLU 37 3HB GLU 37 23.741 13.589 28.966 228 1HG GLU 37 2HG GLU 37 25.425 14.992 27.778 229 2HG GLU 37 3HG GLU 37 25.501 16.008 29.210 230 H TYR 38 H TYR 38 22.869 16.625 31.037 231 HA TYR 38 HA TYR 38 23.305 19.384 29.977 232 1HB TYR 38 2HB TYR 38 21.711 19.293 32.266 233 2HB TYR 38 3HB TYR 38 21.529 20.122 30.688 234 HD1 TYR 38 HD2 TYR 38 20.747 18.514 28.750 235 HD2 TYR 38 HD1 TYR 38 20.255 17.869 32.951 236 HE1 TYR 38 HE2 TYR 38 19.273 16.640 28.227 237 HE2 TYR 38 HE1 TYR 38 18.677 15.946 32.472 238 HH TYR 38 HH TYR 38 17.533 14.716 30.762 239 H ASN 39 H ASN 39 22.773 17.725 33.112 240 HA ASN 39 HA ASN 39 25.343 17.773 34.069 241 1HB ASN 39 2HB ASN 39 24.483 20.422 33.967 242 2HB ASN 39 3HB ASN 39 24.218 19.936 35.633 243 1HD2 ASN 39 1HD2 ASN 39 26.473 21.153 33.577 244 2HD2 ASN 39 2HD2 ASN 39 27.910 20.741 34.517 245 H ILE 40 H ILE 40 25.572 17.821 36.438 246 HA ILE 40 HA ILE 40 24.610 15.800 37.824 247 HB ILE 40 HB ILE 40 26.589 17.224 38.167 248 1HG1 ILE 40 2HG1 ILE 40 26.694 17.365 40.542 249 2HG1 ILE 40 3HG1 ILE 40 24.923 17.312 40.701 250 1HG2 ILE 40 1HG2 ILE 40 24.736 19.191 39.520 251 2HG2 ILE 40 2HG2 ILE 40 26.480 19.380 39.188 252 3HG2 ILE 40 3HG2 ILE 40 25.321 19.381 37.827 253 1HD1 ILE 40 1HD1 ILE 40 26.160 15.055 41.068 254 2HD1 ILE 40 2HD1 ILE 40 24.830 15.066 39.874 255 3HD1 ILE 40 3HD1 ILE 40 26.511 15.130 39.304 256 H ALA 41 H ALA 41 23.519 18.913 37.824 257 HA ALA 41 HA ALA 41 20.915 18.503 39.157 258 1HB ALA 41 1HB ALA 41 21.433 20.677 40.404 259 2HB ALA 41 2HB ALA 41 22.473 19.294 40.847 260 3HB ALA 41 3HB ALA 41 23.073 20.555 39.753 261 H TYR 42 H TYR 42 23.082 20.639 37.533 262 HA TYR 42 HA TYR 42 21.428 22.716 36.554 263 1HB TYR 42 2HB TYR 42 24.130 22.100 35.597 264 2HB TYR 42 3HB TYR 42 23.314 23.617 35.988 265 HD1 TYR 42 HD2 TYR 42 22.592 22.666 38.857 266 HD2 TYR 42 HD1 TYR 42 26.103 23.051 36.437 267 HE1 TYR 42 HE2 TYR 42 23.750 23.284 40.741 268 HE2 TYR 42 HE1 TYR 42 27.449 23.477 38.433 269 HH TYR 42 HH TYR 42 25.979 23.503 41.735 270 H GLU 43 H GLU 43 22.450 23.393 34.318 271 HA GLU 43 HA GLU 43 22.305 21.305 32.255 272 1HB GLU 43 2HB GLU 43 20.358 23.436 32.686 273 2HB GLU 43 3HB GLU 43 20.858 23.222 31.059 274 1HG GLU 43 2HG GLU 43 19.701 21.012 31.064 275 2HG GLU 43 3HG GLU 43 19.254 21.272 32.775 276 H CYS 44 H CYS 44 23.694 21.627 30.827 277 HA CYS 44 HA CYS 44 25.052 24.254 30.432 278 1HB CYS 44 2HB CYS 44 25.719 21.485 29.429 279 2HB CYS 44 3HB CYS 44 26.706 22.944 29.173 280 H CYS 45 H CYS 45 24.878 25.478 28.695 281 HA CYS 45 HA CYS 45 23.516 24.639 26.189 282 1HB CYS 45 2HB CYS 45 22.722 27.150 27.706 283 2HB CYS 45 3HB CYS 45 22.130 26.592 26.134 284 H LYS 46 H LYS 46 23.751 26.309 24.605 285 HA LYS 46 HA LYS 46 26.209 27.967 24.918 286 1HB LYS 46 2HB LYS 46 27.417 27.086 23.397 287 2HB LYS 46 3HB LYS 46 26.468 25.662 23.855 288 1HG LYS 46 2HG LYS 46 26.198 27.364 21.478 289 2HG LYS 46 3HG LYS 46 26.680 25.608 21.617 290 1HD LYS 46 2HD LYS 46 24.649 24.977 21.309 291 2HD LYS 46 3HD LYS 46 24.269 25.828 22.840 292 1HE LYS 46 2HE LYS 46 24.278 27.919 21.333 293 2HE LYS 46 3HE LYS 46 23.733 26.773 20.080 294 1HZ LYS 46 1HZ LYS 46 21.898 27.754 21.370 295 2HZ LYS 46 2HZ LYS 46 22.511 27.113 22.777 296 3HZ LYS 46 3HZ LYS 46 21.955 26.091 21.576 297 H GLN 47 H GLN 47 26.565 29.491 23.323 298 HA GLN 47 HA GLN 47 24.601 30.570 21.547 299 1HB GLN 47 2HB GLN 47 24.349 31.329 24.272 300 2HB GLN 47 3HB GLN 47 25.033 32.728 23.496 301 1HG GLN 47 2HG GLN 47 23.305 32.423 21.741 302 2HG GLN 47 3HG GLN 47 22.500 31.237 22.772 303 1HE2 GLN 47 1HE2 GLN 47 20.592 32.482 23.075 304 2HE2 GLN 47 2HE2 GLN 47 20.730 33.951 24.054 Start of MODEL 11 1 1H GLY 1 H GLY 1 26.992 33.053 36.320 2 1HA GLY 1 2HA GLY 1 26.074 31.117 35.215 3 2HA GLY 1 3HA GLY 1 26.774 31.692 33.698 4 H VAL 2 H VAL 2 27.540 29.230 34.298 5 HA VAL 2 HA VAL 2 30.171 29.452 35.716 6 HB VAL 2 HB VAL 2 28.607 27.158 34.974 7 1HG1 VAL 2 1HG1 VAL 2 30.814 26.338 35.375 8 2HG1 VAL 2 2HG1 VAL 2 30.802 27.111 36.990 9 3HG1 VAL 2 3HG1 VAL 2 29.722 25.739 36.581 10 1HG2 VAL 2 1HG2 VAL 2 27.788 26.721 37.075 11 2HG2 VAL 2 2HG2 VAL 2 28.524 28.312 37.632 12 3HG2 VAL 2 3HG2 VAL 2 27.193 28.233 36.403 13 HA HYP 3 HA HYP 3 31.685 28.217 31.712 14 1HB HYP 3 3HB HYP 3 34.161 28.076 31.900 15 2HB HYP 3 2HB HYP 3 34.013 27.013 33.307 16 1HD HYP 3 3HD HYP 3 32.073 29.639 35.180 17 2HD HYP 3 2HD HYP 3 32.576 27.953 35.423 18 HOD HYP 3 HOD HYP 3 33.579 30.938 33.942 19 HG HYP 3 HG HYP 3 34.597 28.930 34.471 20 H CYS 4 H CYS 4 30.930 26.614 30.539 21 HA CYS 4 HA CYS 4 31.584 23.863 31.296 22 1HB CYS 4 2HB CYS 4 29.661 24.389 32.628 23 2HB CYS 4 3HB CYS 4 28.839 24.997 31.173 24 H ARG 5 H ARG 5 32.099 22.684 29.655 25 HA ARG 5 HA ARG 5 31.488 23.619 26.942 26 1HB ARG 5 2HB ARG 5 33.142 22.158 26.118 27 2HB ARG 5 3HB ARG 5 33.770 23.214 27.378 28 1HG ARG 5 2HG ARG 5 33.621 21.470 28.991 29 2HG ARG 5 3HG ARG 5 33.040 20.338 27.704 30 1HD ARG 5 2HD ARG 5 35.133 19.999 26.959 31 2HD ARG 5 3HD ARG 5 35.424 21.753 26.848 32 HE ARG 5 HE ARG 5 35.624 21.261 29.513 33 1HH1 ARG 5 1HH1 ARG 5 37.352 19.427 27.057 34 2HH1 ARG 5 2HH1 ARG 5 38.859 19.665 27.894 35 1HH2 ARG 5 1HH2 ARG 5 37.416 21.896 30.115 36 2HH2 ARG 5 2HH2 ARG 5 38.895 20.985 29.855 37 H CYS 6 H CYS 6 31.501 21.939 25.385 38 HA CYS 6 HA CYS 6 29.496 19.776 25.890 39 1HB CYS 6 2HB CYS 6 28.422 20.430 23.815 40 2HB CYS 6 3HB CYS 6 28.519 21.740 25.006 41 H ASP 7 H ASP 7 29.408 18.283 23.895 42 HA ASP 7 HA ASP 7 31.671 16.656 23.891 43 1HB ASP 7 2HB ASP 7 29.246 16.124 23.336 44 2HB ASP 7 3HB ASP 7 29.550 16.757 21.722 45 H SER 8 H SER 8 30.895 19.181 21.674 46 HA SER 8 HA SER 8 33.165 18.686 19.833 47 1HB SER 8 2HB SER 8 30.846 19.184 19.055 48 2HB SER 8 3HB SER 8 30.913 20.753 19.861 49 HG SER 8 HG SER 8 31.328 20.839 17.618 50 H ASP 9 H ASP 9 32.502 20.629 22.585 51 HA ASP 9 HA ASP 9 33.087 22.560 23.425 52 1HB ASP 9 2HB ASP 9 35.136 22.454 24.537 53 2HB ASP 9 3HB ASP 9 34.517 20.846 24.320 54 H GLY 10 H GLY 10 32.844 22.977 20.596 55 1HA GLY 10 2HA GLY 10 33.910 25.622 20.375 56 2HA GLY 10 3HA GLY 10 34.771 24.414 19.379 57 HA PRO 11 HA PRO 11 30.281 24.652 17.897 58 1HB PRO 11 2HB PRO 11 28.929 27.028 18.761 59 2HB PRO 11 3HB PRO 11 28.750 25.388 19.465 60 1HG PRO 11 2HG PRO 11 30.807 27.524 20.287 61 2HG PRO 11 3HG PRO 11 29.674 26.623 21.373 62 1HD PRO 11 2HD PRO 11 32.097 25.935 21.181 63 2HD PRO 11 3HD PRO 11 30.863 24.648 20.994 64 H SER 12 H SER 12 32.507 27.393 18.036 65 HA SER 12 HA SER 12 31.861 28.309 15.279 66 1HB SER 12 2HB SER 12 32.988 30.370 16.058 67 2HB SER 12 3HB SER 12 31.429 30.056 16.845 68 HG SER 12 HG SER 12 32.887 30.544 18.460 69 H VAL 13 H VAL 13 34.228 27.261 17.526 70 HA VAL 13 HA VAL 13 36.035 26.118 15.584 71 HB VAL 13 HB VAL 13 36.629 28.270 15.061 72 1HG1 VAL 13 1HG1 VAL 13 35.324 29.589 16.492 73 2HG1 VAL 13 2HG1 VAL 13 36.064 28.962 17.938 74 3HG1 VAL 13 3HG1 VAL 13 37.023 30.055 16.859 75 1HG2 VAL 13 1HG2 VAL 13 38.516 27.488 17.277 76 2HG2 VAL 13 2HG2 VAL 13 38.308 26.621 15.726 77 3HG2 VAL 13 3HG2 VAL 13 38.867 28.326 15.738 78 H HIS 14 H HIS 14 37.263 24.688 16.697 79 HA HIS 14 HA HIS 14 36.681 24.004 19.480 80 1HB HIS 14 2HB HIS 14 37.986 21.954 18.782 81 2HB HIS 14 3HB HIS 14 36.583 22.304 17.793 82 HD1 HIS 14 HD1 HIS 14 40.410 22.970 17.594 83 HD2 HIS 14 HD2 HIS 14 36.961 22.904 15.212 84 HE1 HIS 14 HE1 HIS 14 41.167 23.328 15.192 85 H GLY 15 H GLY 15 38.284 23.388 21.005 86 1HA GLY 15 2HA GLY 15 41.016 23.477 20.856 87 2HA GLY 15 3HA GLY 15 40.650 25.198 21.057 88 H ASN 16 H ASN 16 38.964 22.536 22.506 89 HA ASN 16 HA ASN 16 38.410 21.959 24.557 90 1HB ASN 16 2HB ASN 16 41.325 22.210 25.081 91 2HB ASN 16 3HB ASN 16 40.143 21.147 25.907 92 1HD2 ASN 16 1HD2 ASN 16 38.760 20.046 23.786 93 2HD2 ASN 16 2HD2 ASN 16 39.944 18.954 23.026 94 H THR 17 H THR 17 37.644 24.313 24.291 95 HA THR 17 HA THR 17 38.158 25.614 26.964 96 HB THR 17 HB THR 17 37.624 27.799 26.032 97 HG1 THR 17 HG1 THR 17 37.977 27.076 23.431 98 1HG2 THR 17 1HG2 THR 17 39.952 27.053 26.144 99 2HG2 THR 17 2HG2 THR 17 39.679 28.156 24.768 100 3HG2 THR 17 3HG2 THR 17 39.839 26.400 24.501 101 H LEU 18 H LEU 18 36.598 26.758 27.992 102 HA LEU 18 HA LEU 18 33.994 25.620 27.800 103 1HB LEU 18 2HB LEU 18 35.201 27.372 29.892 104 2HB LEU 18 3HB LEU 18 33.594 26.563 29.966 105 HG LEU 18 HG LEU 18 36.099 24.915 29.421 106 1HD1 LEU 18 1HD1 LEU 18 36.228 24.535 31.739 107 2HD1 LEU 18 2HD1 LEU 18 34.765 25.516 32.008 108 3HD1 LEU 18 3HD1 LEU 18 36.254 26.314 31.440 109 1HD2 LEU 18 1HD2 LEU 18 34.600 23.134 30.007 110 2HD2 LEU 18 2HD2 LEU 18 33.686 24.221 29.035 111 3HD2 LEU 18 3HD2 LEU 18 33.444 24.356 30.757 112 H SER 19 H SER 19 34.145 26.715 25.558 113 HA SER 19 HA SER 19 33.026 29.413 25.336 114 1HB SER 19 2HB SER 19 34.502 28.344 23.613 115 2HB SER 19 3HB SER 19 33.209 27.189 23.244 116 HG SER 19 HG SER 19 31.856 29.067 22.864 117 H GLY 20 H GLY 20 31.612 27.634 27.030 118 1HA GLY 20 2HA GLY 20 28.872 27.793 26.093 119 2HA GLY 20 3HA GLY 20 29.424 26.183 26.613 120 H THR 21 H THR 21 27.455 27.219 28.104 121 HA THR 21 HA THR 21 28.770 28.015 30.641 122 HB THR 21 HB THR 21 26.342 29.397 29.425 123 HG1 THR 21 HG1 THR 21 29.008 30.397 29.623 124 1HG2 THR 21 1HG2 THR 21 26.703 31.164 30.998 125 2HG2 THR 21 2HG2 THR 21 28.011 30.230 31.787 126 3HG2 THR 21 3HG2 THR 21 26.329 29.621 31.829 127 H VAL 22 H VAL 22 27.709 27.106 32.488 128 HA VAL 22 HA VAL 22 25.309 25.619 31.957 129 HB VAL 22 HB VAL 22 26.779 24.182 32.791 130 1HG1 VAL 22 1HG1 VAL 22 27.920 24.236 34.783 131 2HG1 VAL 22 2HG1 VAL 22 28.382 25.616 33.717 132 3HG1 VAL 22 3HG1 VAL 22 27.157 25.795 35.111 133 1HG2 VAL 22 1HG2 VAL 22 24.988 25.058 35.169 134 2HG2 VAL 22 2HG2 VAL 22 24.344 24.272 33.721 135 3HG2 VAL 22 3HG2 VAL 22 25.521 23.401 34.666 136 H TRP 23 H TRP 23 23.743 26.030 32.738 137 HA TRP 23 HA TRP 23 23.037 28.400 34.412 138 1HB TRP 23 2HB TRP 23 21.210 27.119 32.350 139 2HB TRP 23 3HB TRP 23 21.075 28.729 33.075 140 HD1 TRP 23 HD1 TRP 23 22.810 26.730 30.358 141 HE1 TRP 23 HE1 TRP 23 24.153 28.303 28.794 142 HE3 TRP 23 HE3 TRP 23 22.291 31.145 32.895 143 HZ2 TRP 23 HZ2 TRP 23 24.688 31.046 28.587 144 HZ3 TRP 23 HZ3 TRP 23 23.133 33.279 31.909 145 HH2 TRP 23 HH2 TRP 23 24.293 33.218 29.670 146 H VAL 24 H VAL 24 22.049 27.812 36.187 147 HA VAL 24 HA VAL 24 21.529 24.916 36.476 148 HB VAL 24 HB VAL 24 21.934 24.967 38.558 149 1HG1 VAL 24 1HG1 VAL 24 23.840 25.549 36.917 150 2HG1 VAL 24 2HG1 VAL 24 23.788 27.191 37.594 151 3HG1 VAL 24 3HG1 VAL 24 24.213 25.834 38.657 152 1HG2 VAL 24 1HG2 VAL 24 20.275 26.569 39.210 153 2HG2 VAL 24 2HG2 VAL 24 21.808 26.853 40.098 154 3HG2 VAL 24 3HG2 VAL 24 21.357 27.912 38.735 155 H GLY 25 H GLY 25 19.599 24.303 37.677 156 1HA GLY 25 2HA GLY 25 17.328 24.587 38.075 157 2HA GLY 25 3HA GLY 25 17.480 26.279 37.600 158 H SER 26 H SER 26 18.240 26.364 35.071 159 HA SER 26 HA SER 26 17.867 24.419 33.146 160 1HB SER 26 2HB SER 26 15.411 24.687 33.717 161 2HB SER 26 3HB SER 26 15.517 26.312 33.021 162 HG SER 26 HG SER 26 16.382 23.926 31.664 163 H CYS 27 H CYS 27 17.796 25.407 30.864 164 HA CYS 27 HA CYS 27 20.020 27.260 30.543 165 1HB CYS 27 2HB CYS 27 19.281 25.247 29.115 166 2HB CYS 27 3HB CYS 27 18.132 26.350 28.359 167 H ALA 28 H ALA 28 20.288 28.957 29.344 168 HA ALA 28 HA ALA 28 18.573 31.208 29.814 169 1HB ALA 28 1HB ALA 28 20.398 32.341 28.496 170 2HB ALA 28 2HB ALA 28 20.966 31.358 29.867 171 3HB ALA 28 3HB ALA 28 21.126 30.721 28.231 172 H SER 29 H SER 29 17.082 31.955 28.584 173 HA SER 29 HA SER 29 15.459 30.908 26.834 174 1HB SER 29 2HB SER 29 16.210 33.827 26.658 175 2HB SER 29 3HB SER 29 14.595 33.090 26.447 176 HG SER 29 HG SER 29 15.201 32.278 28.767 177 H GLY 30 H GLY 30 18.428 32.305 25.597 178 1HA GLY 30 2HA GLY 30 17.488 31.957 22.755 179 2HA GLY 30 3HA GLY 30 18.767 33.044 23.298 180 H TRP 31 H TRP 31 19.195 30.171 24.903 181 HA TRP 31 HA TRP 31 21.378 29.371 23.014 182 1HB TRP 31 2HB TRP 31 21.106 28.728 25.937 183 2HB TRP 31 3HB TRP 31 22.460 28.393 24.928 184 HD1 TRP 31 HD1 TRP 31 20.876 31.953 25.483 185 HE1 TRP 31 HE1 TRP 31 22.798 33.504 26.164 186 HE3 TRP 31 HE3 TRP 31 24.555 28.526 25.927 187 HZ2 TRP 31 HZ2 TRP 31 25.592 33.283 26.671 188 HZ3 TRP 31 HZ3 TRP 31 26.834 29.176 26.761 189 HH2 TRP 31 HH2 TRP 31 27.382 31.544 27.069 190 H HIS 32 H HIS 32 21.996 26.894 23.412 191 HA HIS 32 HA HIS 32 19.612 25.176 23.696 192 1HB HIS 32 2HB HIS 32 21.153 25.042 21.060 193 2HB HIS 32 3HB HIS 32 19.683 24.194 21.486 194 HD1 HIS 32 HD1 HIS 32 17.440 25.364 20.795 195 HD2 HIS 32 HD2 HIS 32 20.884 27.763 20.633 196 HE1 HIS 32 HE1 HIS 32 16.755 27.552 19.641 197 H LYS 33 H LYS 33 20.182 22.879 23.281 198 HA LYS 33 HA LYS 33 22.423 22.113 24.908 199 1HB LYS 33 2HB LYS 33 20.152 20.667 23.715 200 2HB LYS 33 3HB LYS 33 21.646 19.731 23.704 201 1HG LYS 33 2HG LYS 33 20.690 19.346 25.881 202 2HG LYS 33 3HG LYS 33 22.047 20.461 26.151 203 1HD LYS 33 2HD LYS 33 20.458 22.390 25.987 204 2HD LYS 33 3HD LYS 33 19.105 21.211 25.779 205 1HE LYS 33 2HE LYS 33 19.099 21.255 28.068 206 2HE LYS 33 3HE LYS 33 20.401 20.076 27.749 207 1HZ LYS 33 1HZ LYS 33 21.982 22.029 27.913 208 2HZ LYS 33 2HZ LYS 33 21.131 21.709 29.312 209 3HZ LYS 33 3HZ LYS 33 20.641 22.922 28.407 210 H CYS 34 H CYS 34 24.342 22.198 24.356 211 HA CYS 34 HA CYS 34 25.252 21.601 21.581 212 1HB CYS 34 2HB CYS 34 26.152 23.483 22.996 213 2HB CYS 34 3HB CYS 34 26.873 22.305 24.034 214 H ASN 35 H ASN 35 24.341 19.671 24.282 215 HA ASN 35 HA ASN 35 25.742 17.335 23.221 216 1HB ASN 35 2HB ASN 35 26.796 16.792 25.384 217 2HB ASN 35 3HB ASN 35 27.505 18.206 24.647 218 1HD2 ASN 35 1HD2 ASN 35 27.005 17.126 27.523 219 2HD2 ASN 35 2HD2 ASN 35 25.809 18.259 28.073 220 H ASP 36 H ASP 36 25.063 15.346 24.403 221 HA ASP 36 HA ASP 36 22.219 15.396 24.732 222 1HB ASP 36 2HB ASP 36 23.953 13.537 23.819 223 2HB ASP 36 3HB ASP 36 23.837 12.997 25.495 224 H GLU 37 H GLU 37 24.761 15.479 26.957 225 HA GLU 37 HA GLU 37 22.969 15.053 29.265 226 1HB GLU 37 2HB GLU 37 24.934 14.772 30.601 227 2HB GLU 37 3HB GLU 37 24.921 13.653 29.207 228 1HG GLU 37 2HG GLU 37 26.418 15.207 27.976 229 2HG GLU 37 3HG GLU 37 26.430 16.221 29.422 230 H TYR 38 H TYR 38 23.589 16.642 31.222 231 HA TYR 38 HA TYR 38 24.048 19.413 30.176 232 1HB TYR 38 2HB TYR 38 22.130 19.199 32.265 233 2HB TYR 38 3HB TYR 38 22.134 20.069 30.649 234 HD1 TYR 38 HD2 TYR 38 21.488 19.033 28.741 235 HD2 TYR 38 HD1 TYR 38 21.049 17.157 32.524 236 HE1 TYR 38 HE2 TYR 38 20.078 17.232 27.654 237 HE2 TYR 38 HE1 TYR 38 19.649 15.363 31.531 238 HH TYR 38 HH TYR 38 18.897 14.443 29.459 239 H ASN 39 H ASN 39 23.263 17.651 33.160 240 HA ASN 39 HA ASN 39 25.614 17.875 34.559 241 1HB ASN 39 2HB ASN 39 24.526 20.469 34.324 242 2HB ASN 39 3HB ASN 39 24.144 19.938 35.935 243 1HD2 ASN 39 1HD2 ASN 39 26.634 20.841 33.819 244 2HD2 ASN 39 2HD2 ASN 39 27.967 20.739 34.984 245 H ILE 40 H ILE 40 25.371 17.977 36.946 246 HA ILE 40 HA ILE 40 24.201 15.906 38.152 247 HB ILE 40 HB ILE 40 26.098 17.364 38.818 248 1HG1 ILE 40 2HG1 ILE 40 25.782 17.527 41.185 249 2HG1 ILE 40 3HG1 ILE 40 24.021 17.484 41.035 250 1HG2 ILE 40 1HG2 ILE 40 24.883 19.502 38.224 251 2HG2 ILE 40 2HG2 ILE 40 23.993 19.308 39.768 252 3HG2 ILE 40 3HG2 ILE 40 25.759 19.533 39.789 253 1HD1 ILE 40 1HD1 ILE 40 25.798 15.275 39.944 254 2HD1 ILE 40 2HD1 ILE 40 25.152 15.231 41.627 255 3HD1 ILE 40 3HD1 ILE 40 24.051 15.230 40.216 256 H ALA 41 H ALA 41 23.071 18.963 37.710 257 HA ALA 41 HA ALA 41 20.308 18.613 38.638 258 1HB ALA 41 1HB ALA 41 20.573 20.788 39.950 259 2HB ALA 41 2HB ALA 41 21.496 19.402 40.606 260 3HB ALA 41 3HB ALA 41 22.321 20.640 39.624 261 H TYR 42 H TYR 42 22.761 20.790 37.466 262 HA TYR 42 HA TYR 42 21.346 22.939 36.323 263 1HB TYR 42 2HB TYR 42 24.119 22.164 35.746 264 2HB TYR 42 3HB TYR 42 23.318 23.717 35.880 265 HD1 TYR 42 HD2 TYR 42 22.202 22.647 38.813 266 HD2 TYR 42 HD1 TYR 42 25.736 23.735 36.702 267 HE1 TYR 42 HE2 TYR 42 23.271 22.926 40.903 268 HE2 TYR 42 HE1 TYR 42 26.662 24.595 38.751 269 HH TYR 42 HH TYR 42 25.606 23.252 41.909 270 H GLU 43 H GLU 43 22.483 23.555 34.103 271 HA GLU 43 HA GLU 43 22.546 21.329 32.170 272 1HB GLU 43 2HB GLU 43 20.613 23.518 32.119 273 2HB GLU 43 3HB GLU 43 21.278 23.074 30.624 274 1HG GLU 43 2HG GLU 43 20.108 20.942 30.695 275 2HG GLU 43 3HG GLU 43 19.507 21.303 32.347 276 H CYS 44 H CYS 44 23.981 21.470 30.779 277 HA CYS 44 HA CYS 44 25.557 23.917 30.335 278 1HB CYS 44 2HB CYS 44 26.321 21.380 30.614 279 2HB CYS 44 3HB CYS 44 26.024 21.313 28.886 280 H CYS 45 H CYS 45 25.405 25.198 28.599 281 HA CYS 45 HA CYS 45 24.203 24.341 26.019 282 1HB CYS 45 2HB CYS 45 23.320 26.864 27.451 283 2HB CYS 45 3HB CYS 45 22.863 26.322 25.819 284 H LYS 46 H LYS 46 24.476 26.162 24.482 285 HA LYS 46 HA LYS 46 26.957 27.725 24.932 286 1HB LYS 46 2HB LYS 46 28.285 26.753 23.580 287 2HB LYS 46 3HB LYS 46 27.233 25.352 23.934 288 1HG LYS 46 2HG LYS 46 27.201 27.118 21.550 289 2HG LYS 46 3HG LYS 46 27.749 25.393 21.675 290 1HD LYS 46 2HD LYS 46 25.760 24.656 21.248 291 2HD LYS 46 3HD LYS 46 25.261 25.448 22.764 292 1HE LYS 46 2HE LYS 46 25.270 27.575 21.235 293 2HE LYS 46 3HE LYS 46 24.866 26.372 19.964 294 1HZ LYS 46 1HZ LYS 46 23.244 25.614 21.926 295 2HZ LYS 46 2HZ LYS 46 22.800 26.829 20.830 296 3HZ LYS 46 3HZ LYS 46 23.390 27.187 22.360 297 H GLN 47 H GLN 47 27.468 29.195 23.340 298 HA GLN 47 HA GLN 47 25.724 30.242 21.318 299 1HB GLN 47 2HB GLN 47 25.407 31.241 24.040 300 2HB GLN 47 3HB GLN 47 25.866 32.550 22.965 301 1HG GLN 47 2HG GLN 47 24.122 31.782 21.413 302 2HG GLN 47 3HG GLN 47 23.459 30.772 22.694 303 1HE2 GLN 47 1HE2 GLN 47 21.448 32.123 22.420 304 2HE2 GLN 47 2HE2 GLN 47 21.523 33.646 23.317 Start of MODEL 12 1 1H GLY 1 H GLY 1 25.945 33.572 35.631 2 1HA GLY 1 2HA GLY 1 25.681 31.157 35.372 3 2HA GLY 1 3HA GLY 1 26.752 31.786 34.120 4 H VAL 2 H VAL 2 27.206 29.307 34.288 5 HA VAL 2 HA VAL 2 29.573 28.972 36.064 6 HB VAL 2 HB VAL 2 27.638 27.041 35.241 7 1HG1 VAL 2 1HG1 VAL 2 28.655 25.313 36.545 8 2HG1 VAL 2 2HG1 VAL 2 29.798 25.881 35.337 9 3HG1 VAL 2 3HG1 VAL 2 29.970 26.437 37.021 10 1HG2 VAL 2 1HG2 VAL 2 26.713 28.353 36.913 11 2HG2 VAL 2 2HG2 VAL 2 27.047 26.693 37.481 12 3HG2 VAL 2 3HG2 VAL 2 28.157 28.037 37.948 13 HA HYP 3 HA HYP 3 31.133 28.340 31.953 14 1HB HYP 3 3HB HYP 3 33.579 28.419 32.148 15 2HB HYP 3 2HB HYP 3 33.561 27.167 33.399 16 1HD HYP 3 3HD HYP 3 31.394 29.391 35.573 17 2HD HYP 3 2HD HYP 3 31.984 27.717 35.631 18 HOD HYP 3 HOD HYP 3 33.026 30.923 34.541 19 HG HYP 3 HG HYP 3 33.969 28.946 34.826 20 H CYS 4 H CYS 4 30.523 26.869 30.597 21 HA CYS 4 HA CYS 4 31.441 24.119 30.977 22 1HB CYS 4 2HB CYS 4 29.422 24.517 32.358 23 2HB CYS 4 3HB CYS 4 28.637 25.064 30.856 24 H ARG 5 H ARG 5 32.083 23.231 29.215 25 HA ARG 5 HA ARG 5 31.397 24.352 26.610 26 1HB ARG 5 2HB ARG 5 33.020 22.799 25.747 27 2HB ARG 5 3HB ARG 5 33.637 23.963 26.917 28 1HG ARG 5 2HG ARG 5 33.510 22.210 28.663 29 2HG ARG 5 3HG ARG 5 33.003 21.088 27.330 30 1HD ARG 5 2HD ARG 5 35.303 20.728 27.190 31 2HD ARG 5 3HD ARG 5 35.157 22.217 26.227 32 HE ARG 5 HE ARG 5 36.346 23.362 27.666 33 1HH1 ARG 5 1HH1 ARG 5 35.518 20.416 29.412 34 2HH1 ARG 5 2HH1 ARG 5 36.707 20.758 30.648 35 1HH2 ARG 5 1HH2 ARG 5 37.575 23.688 29.033 36 2HH2 ARG 5 2HH2 ARG 5 38.058 22.647 30.375 37 H CYS 6 H CYS 6 31.137 22.990 24.966 38 HA CYS 6 HA CYS 6 28.830 21.097 25.297 39 1HB CYS 6 2HB CYS 6 30.055 21.576 22.587 40 2HB CYS 6 3HB CYS 6 28.356 21.378 23.091 41 H ASP 7 H ASP 7 28.971 18.867 24.359 42 HA ASP 7 HA ASP 7 31.199 17.416 25.311 43 1HB ASP 7 2HB ASP 7 28.747 16.774 23.677 44 2HB ASP 7 3HB ASP 7 30.025 15.579 23.745 45 H SER 8 H SER 8 31.018 19.040 22.361 46 HA SER 8 HA SER 8 33.288 17.527 21.140 47 1HB SER 8 2HB SER 8 32.483 18.496 19.035 48 2HB SER 8 3HB SER 8 31.187 17.607 19.878 49 HG SER 8 HG SER 8 30.540 19.662 19.069 50 H ASP 9 H ASP 9 32.522 20.386 22.657 51 HA ASP 9 HA ASP 9 33.012 22.460 22.843 52 1HB ASP 9 2HB ASP 9 34.814 22.767 24.214 53 2HB ASP 9 3HB ASP 9 34.468 21.068 24.301 54 H GLY 10 H GLY 10 34.115 21.380 19.958 55 1HA GLY 10 2HA GLY 10 34.091 23.881 18.724 56 2HA GLY 10 3HA GLY 10 35.795 23.426 19.111 57 HA PRO 11 HA PRO 11 33.802 20.163 16.276 58 1HB PRO 11 2HB PRO 11 31.443 21.042 14.898 59 2HB PRO 11 3HB PRO 11 31.502 20.028 16.373 60 1HG PRO 11 2HG PRO 11 31.391 23.089 16.254 61 2HG PRO 11 3HG PRO 11 30.338 21.969 17.227 62 1HD PRO 11 2HD PRO 11 32.286 23.245 18.268 63 2HD PRO 11 3HD PRO 11 32.141 21.502 18.636 64 H SER 12 H SER 12 34.163 23.540 15.350 65 HA SER 12 HA SER 12 34.990 22.997 12.551 66 1HB SER 12 2HB SER 12 34.776 25.494 12.506 67 2HB SER 12 3HB SER 12 33.251 24.597 12.614 68 HG SER 12 HG SER 12 33.350 26.354 14.111 69 H VAL 13 H VAL 13 35.874 24.348 15.661 70 HA VAL 13 HA VAL 13 38.710 23.963 15.046 71 HB VAL 13 HB VAL 13 38.248 26.656 16.119 72 1HG1 VAL 13 1HG1 VAL 13 40.310 25.683 15.176 73 2HG1 VAL 13 2HG1 VAL 13 39.532 25.624 13.572 74 3HG1 VAL 13 3HG1 VAL 13 39.839 27.199 14.353 75 1HG2 VAL 13 1HG2 VAL 13 37.030 26.202 13.337 76 2HG2 VAL 13 2HG2 VAL 13 36.126 26.560 14.791 77 3HG2 VAL 13 3HG2 VAL 13 37.287 27.774 14.161 78 H HIS 14 H HIS 14 39.764 23.470 16.792 79 HA HIS 14 HA HIS 14 38.772 22.484 19.130 80 1HB HIS 14 2HB HIS 14 41.125 22.785 20.012 81 2HB HIS 14 3HB HIS 14 40.965 21.969 18.457 82 HD1 HIS 14 HD1 HIS 14 41.568 25.628 19.538 83 HD2 HIS 14 HD2 HIS 14 42.612 22.845 16.583 84 HE1 HIS 14 HE1 HIS 14 43.368 26.757 18.083 85 H GLY 15 H GLY 15 37.800 23.201 21.032 86 1HA GLY 15 2HA GLY 15 38.482 25.954 21.942 87 2HA GLY 15 3HA GLY 15 36.813 25.507 21.622 88 H ASN 16 H ASN 16 39.655 24.442 23.526 89 HA ASN 16 HA ASN 16 38.236 23.115 25.596 90 1HB ASN 16 2HB ASN 16 40.470 22.645 25.756 91 2HB ASN 16 3HB ASN 16 40.969 24.247 25.225 92 1HD2 ASN 16 1HD2 ASN 16 41.481 25.807 26.733 93 2HD2 ASN 16 2HD2 ASN 16 41.343 25.492 28.475 94 H THR 17 H THR 17 38.599 26.402 24.978 95 HA THR 17 HA THR 17 38.005 27.500 27.538 96 HB THR 17 HB THR 17 37.973 29.642 26.151 97 HG1 THR 17 HG1 THR 17 38.487 29.468 24.000 98 1HG2 THR 17 1HG2 THR 17 40.246 27.607 25.773 99 2HG2 THR 17 2HG2 THR 17 39.941 28.555 27.238 100 3HG2 THR 17 3HG2 THR 17 40.425 29.386 25.729 101 H LEU 18 H LEU 18 36.389 27.623 28.452 102 HA LEU 18 HA LEU 18 33.874 26.733 27.741 103 1HB LEU 18 2HB LEU 18 34.736 28.125 30.210 104 2HB LEU 18 3HB LEU 18 33.203 27.207 29.987 105 HG LEU 18 HG LEU 18 35.866 25.858 29.365 106 1HD1 LEU 18 1HD1 LEU 18 34.384 25.860 31.937 107 2HD1 LEU 18 2HD1 LEU 18 35.781 26.919 31.597 108 3HD1 LEU 18 3HD1 LEU 18 35.972 25.132 31.570 109 1HD2 LEU 18 1HD2 LEU 18 33.684 24.948 28.600 110 2HD2 LEU 18 2HD2 LEU 18 33.137 24.991 30.305 111 3HD2 LEU 18 3HD2 LEU 18 34.457 23.886 29.726 112 H SER 19 H SER 19 33.743 28.079 25.773 113 HA SER 19 HA SER 19 32.614 30.769 25.887 114 1HB SER 19 2HB SER 19 33.864 29.806 23.915 115 2HB SER 19 3HB SER 19 32.482 28.722 23.631 116 HG SER 19 HG SER 19 31.193 30.727 23.577 117 H GLY 20 H GLY 20 31.415 27.713 26.566 118 1HA GLY 20 2HA GLY 20 28.558 28.251 25.975 119 2HA GLY 20 3HA GLY 20 29.255 26.675 26.427 120 H THR 21 H THR 21 27.160 27.372 28.027 121 HA THR 21 HA THR 21 28.452 28.056 30.600 122 HB THR 21 HB THR 21 26.150 29.709 29.458 123 HG1 THR 21 HG1 THR 21 28.861 29.969 29.278 124 1HG2 THR 21 1HG2 THR 21 26.589 31.281 31.201 125 2HG2 THR 21 2HG2 THR 21 27.735 30.141 31.992 126 3HG2 THR 21 3HG2 THR 21 26.003 29.729 31.857 127 H VAL 22 H VAL 22 27.353 27.381 32.359 128 HA VAL 22 HA VAL 22 25.066 25.696 32.003 129 HB VAL 22 HB VAL 22 27.306 25.810 33.815 130 1HG1 VAL 22 1HG1 VAL 22 25.567 26.429 35.501 131 2HG1 VAL 22 2HG1 VAL 22 24.620 25.007 35.076 132 3HG1 VAL 22 3HG1 VAL 22 26.304 24.899 35.771 133 1HG2 VAL 22 1HG2 VAL 22 27.172 23.560 33.693 134 2HG2 VAL 22 2HG2 VAL 22 25.593 23.681 32.753 135 3HG2 VAL 22 3HG2 VAL 22 27.146 24.504 32.180 136 H TRP 23 H TRP 23 23.301 25.890 32.872 137 HA TRP 23 HA TRP 23 22.484 28.301 34.410 138 1HB TRP 23 2HB TRP 23 20.815 26.973 32.243 139 2HB TRP 23 3HB TRP 23 20.559 28.566 32.963 140 HD1 TRP 23 HD1 TRP 23 22.414 26.721 30.248 141 HE1 TRP 23 HE1 TRP 23 23.857 28.354 28.860 142 HE3 TRP 23 HE3 TRP 23 22.033 30.919 33.124 143 HZ2 TRP 23 HZ2 TRP 23 24.469 31.095 28.847 144 HZ3 TRP 23 HZ3 TRP 23 22.987 33.100 32.335 145 HH2 TRP 23 HH2 TRP 23 24.127 33.173 30.075 146 H VAL 24 H VAL 24 21.947 27.606 36.192 147 HA VAL 24 HA VAL 24 21.435 24.766 36.504 148 HB VAL 24 HB VAL 24 21.682 24.920 38.675 149 1HG1 VAL 24 1HG1 VAL 24 23.836 25.807 38.844 150 2HG1 VAL 24 2HG1 VAL 24 23.620 25.533 37.066 151 3HG1 VAL 24 3HG1 VAL 24 23.466 27.172 37.700 152 1HG2 VAL 24 1HG2 VAL 24 20.891 27.815 38.592 153 2HG2 VAL 24 2HG2 VAL 24 19.903 26.425 39.142 154 3HG2 VAL 24 3HG2 VAL 24 21.368 26.910 40.063 155 H GLY 25 H GLY 25 19.604 23.998 37.660 156 1HA GLY 25 2HA GLY 25 17.267 24.012 37.983 157 2HA GLY 25 3HA GLY 25 17.231 25.702 37.481 158 H SER 26 H SER 26 18.016 25.919 34.991 159 HA SER 26 HA SER 26 17.954 23.976 33.024 160 1HB SER 26 2HB SER 26 15.456 23.949 33.603 161 2HB SER 26 3HB SER 26 15.383 25.561 32.878 162 HG SER 26 HG SER 26 16.455 23.231 31.577 163 H CYS 27 H CYS 27 17.952 24.953 30.809 164 HA CYS 27 HA CYS 27 19.872 26.928 30.349 165 1HB CYS 27 2HB CYS 27 18.720 25.080 28.862 166 2HB CYS 27 3HB CYS 27 17.636 26.388 28.415 167 H ALA 28 H ALA 28 20.090 28.791 29.493 168 HA ALA 28 HA ALA 28 18.436 30.975 30.336 169 1HB ALA 28 1HB ALA 28 20.924 30.561 28.651 170 2HB ALA 28 2HB ALA 28 20.181 32.191 28.785 171 3HB ALA 28 3HB ALA 28 20.770 31.344 30.222 172 H SER 29 H SER 29 16.956 32.002 29.324 173 HA SER 29 HA SER 29 15.105 31.530 27.721 174 1HB SER 29 2HB SER 29 14.620 33.696 27.996 175 2HB SER 29 3HB SER 29 16.227 33.811 28.758 176 HG SER 29 HG SER 29 16.571 35.243 27.296 177 H GLY 30 H GLY 30 17.932 32.797 26.093 178 1HA GLY 30 2HA GLY 30 16.789 32.128 23.387 179 2HA GLY 30 3HA GLY 30 18.014 33.346 23.729 180 H TRP 31 H TRP 31 18.724 30.499 25.338 181 HA TRP 31 HA TRP 31 20.822 29.804 23.290 182 1HB TRP 31 2HB TRP 31 20.770 28.854 26.132 183 2HB TRP 31 3HB TRP 31 22.041 28.730 24.984 184 HD1 TRP 31 HD1 TRP 31 20.456 32.167 26.060 185 HE1 TRP 31 HE1 TRP 31 22.456 33.666 26.659 186 HE3 TRP 31 HE3 TRP 31 24.138 28.712 25.974 187 HZ2 TRP 31 HZ2 TRP 31 25.261 33.402 26.948 188 HZ3 TRP 31 HZ3 TRP 31 26.474 29.292 26.744 189 HH2 TRP 31 HH2 TRP 31 27.061 31.605 27.175 190 H HIS 32 H HIS 32 21.489 27.315 23.629 191 HA HIS 32 HA HIS 32 19.159 25.608 24.176 192 1HB HIS 32 2HB HIS 32 20.381 25.303 21.417 193 2HB HIS 32 3HB HIS 32 18.945 24.547 22.068 194 HD1 HIS 32 HD1 HIS 32 16.662 25.949 21.852 195 HD2 HIS 32 HD2 HIS 32 20.209 27.936 20.804 196 HE1 HIS 32 HE1 HIS 32 15.944 28.139 20.736 197 H LYS 33 H LYS 33 19.698 23.348 23.928 198 HA LYS 33 HA LYS 33 22.168 22.642 25.213 199 1HB LYS 33 2HB LYS 33 19.741 21.209 24.376 200 2HB LYS 33 3HB LYS 33 21.220 20.264 24.088 201 1HG LYS 33 2HG LYS 33 20.524 19.774 26.233 202 2HG LYS 33 3HG LYS 33 21.955 20.808 26.416 203 1HD LYS 33 2HD LYS 33 20.593 22.785 26.780 204 2HD LYS 33 3HD LYS 33 19.076 21.911 26.417 205 1HE LYS 33 2HE LYS 33 21.084 21.167 28.491 206 2HE LYS 33 3HE LYS 33 19.627 22.161 28.847 207 1HZ LYS 33 1HZ LYS 33 19.315 19.708 29.244 208 2HZ LYS 33 2HZ LYS 33 19.613 19.477 27.639 209 3HZ LYS 33 3HZ LYS 33 18.257 20.317 28.133 210 H CYS 34 H CYS 34 24.049 22.442 24.512 211 HA CYS 34 HA CYS 34 24.625 21.968 21.653 212 1HB CYS 34 2HB CYS 34 25.550 23.813 23.238 213 2HB CYS 34 3HB CYS 34 26.493 22.526 23.966 214 H ASN 35 H ASN 35 23.812 19.902 24.365 215 HA ASN 35 HA ASN 35 25.382 17.706 23.197 216 1HB ASN 35 2HB ASN 35 26.465 17.240 25.284 217 2HB ASN 35 3HB ASN 35 27.075 18.708 24.574 218 1HD2 ASN 35 1HD2 ASN 35 27.219 17.775 27.242 219 2HD2 ASN 35 2HD2 ASN 35 25.768 18.378 28.055 220 H ASP 36 H ASP 36 25.022 15.644 24.475 221 HA ASP 36 HA ASP 36 22.166 15.375 24.823 222 1HB ASP 36 2HB ASP 36 24.004 13.636 23.821 223 2HB ASP 36 3HB ASP 36 23.953 13.065 25.500 224 H GLU 37 H GLU 37 24.829 15.599 26.945 225 HA GLU 37 HA GLU 37 23.162 15.055 29.311 226 1HB GLU 37 2HB GLU 37 25.209 14.964 30.552 227 2HB GLU 37 3HB GLU 37 25.275 13.830 29.168 228 1HG GLU 37 2HG GLU 37 26.622 15.333 27.895 229 2HG GLU 37 3HG GLU 37 26.411 16.598 29.105 230 H TYR 38 H TYR 38 23.920 16.762 31.217 231 HA TYR 38 HA TYR 38 24.167 19.493 30.047 232 1HB TYR 38 2HB TYR 38 22.279 19.170 32.224 233 2HB TYR 38 3HB TYR 38 22.184 20.101 30.667 234 HD1 TYR 38 HD1 TYR 38 21.596 19.026 28.665 235 HD2 TYR 38 HD2 TYR 38 21.231 17.182 32.494 236 HE1 TYR 38 HE1 TYR 38 20.476 17.027 27.578 237 HE2 TYR 38 HE2 TYR 38 20.136 15.203 31.495 238 HH TYR 38 HH TYR 38 20.319 14.694 28.140 239 H ASN 39 H ASN 39 23.484 17.867 33.105 240 HA ASN 39 HA ASN 39 25.872 17.903 34.325 241 1HB ASN 39 2HB ASN 39 25.093 20.650 34.253 242 2HB ASN 39 3HB ASN 39 24.746 20.081 35.864 243 1HD2 ASN 39 1HD2 ASN 39 27.106 20.857 33.644 244 2HD2 ASN 39 2HD2 ASN 39 28.558 20.469 34.601 245 H ILE 40 H ILE 40 25.854 17.861 36.683 246 HA ILE 40 HA ILE 40 24.553 15.848 37.821 247 HB ILE 40 HB ILE 40 26.656 16.975 38.412 248 1HG1 ILE 40 2HG1 ILE 40 26.567 16.956 40.792 249 2HG1 ILE 40 3HG1 ILE 40 24.803 17.165 40.809 250 1HG2 ILE 40 1HG2 ILE 40 25.740 19.315 38.103 251 2HG2 ILE 40 2HG2 ILE 40 24.932 19.098 39.703 252 3HG2 ILE 40 3HG2 ILE 40 26.713 19.061 39.579 253 1HD1 ILE 40 1HD1 ILE 40 24.444 15.005 39.835 254 2HD1 ILE 40 2HD1 ILE 40 26.151 14.848 39.381 255 3HD1 ILE 40 3HD1 ILE 40 25.662 14.726 41.111 256 H ALA 41 H ALA 41 23.799 19.067 37.852 257 HA ALA 41 HA ALA 41 21.170 18.863 39.225 258 1HB ALA 41 1HB ALA 41 23.436 20.863 39.511 259 2HB ALA 41 2HB ALA 41 21.842 21.113 40.242 260 3HB ALA 41 3HB ALA 41 22.860 19.724 40.730 261 H TYR 42 H TYR 42 23.289 20.905 37.327 262 HA TYR 42 HA TYR 42 21.496 22.832 36.259 263 1HB TYR 42 2HB TYR 42 24.195 22.498 35.263 264 2HB TYR 42 3HB TYR 42 23.220 23.859 35.812 265 HD1 TYR 42 HD2 TYR 42 22.697 23.170 38.514 266 HD2 TYR 42 HD1 TYR 42 26.150 22.755 36.084 267 HE1 TYR 42 HE2 TYR 42 23.957 23.756 40.392 268 HE2 TYR 42 HE1 TYR 42 27.621 22.982 38.079 269 HH TYR 42 HH TYR 42 26.235 23.531 41.376 270 H GLU 43 H GLU 43 22.412 23.465 34.089 271 HA GLU 43 HA GLU 43 22.625 21.271 32.168 272 1HB GLU 43 2HB GLU 43 20.725 23.511 31.969 273 2HB GLU 43 3HB GLU 43 21.279 22.716 30.554 274 1HG GLU 43 2HG GLU 43 20.033 20.704 31.061 275 2HG GLU 43 3HG GLU 43 19.716 21.240 32.726 276 H CYS 44 H CYS 44 23.910 21.543 30.533 277 HA CYS 44 HA CYS 44 25.400 24.057 30.296 278 1HB CYS 44 2HB CYS 44 26.310 21.606 30.513 279 2HB CYS 44 3HB CYS 44 25.867 21.442 28.820 280 H CYS 45 H CYS 45 25.076 25.415 28.645 281 HA CYS 45 HA CYS 45 23.806 24.526 26.093 282 1HB CYS 45 2HB CYS 45 22.981 27.040 27.571 283 2HB CYS 45 3HB CYS 45 22.462 26.497 25.955 284 H LYS 46 H LYS 46 24.024 26.318 24.517 285 HA LYS 46 HA LYS 46 26.491 27.910 24.846 286 1HB LYS 46 2HB LYS 46 27.763 26.931 23.396 287 2HB LYS 46 3HB LYS 46 26.757 25.508 23.730 288 1HG LYS 46 2HG LYS 46 26.515 27.432 21.474 289 2HG LYS 46 3HG LYS 46 27.129 25.743 21.438 290 1HD LYS 46 2HD LYS 46 25.165 24.889 21.179 291 2HD LYS 46 3HD LYS 46 24.701 25.674 22.709 292 1HE LYS 46 2HE LYS 46 24.563 27.800 21.286 293 2HE LYS 46 3HE LYS 46 24.174 26.696 19.950 294 1HZ LYS 46 1HZ LYS 46 22.176 26.209 20.933 295 2HZ LYS 46 2HZ LYS 46 22.427 27.616 21.846 296 3HZ LYS 46 3HZ LYS 46 22.807 26.192 22.494 297 H GLN 47 H GLN 47 26.790 29.499 23.212 298 HA GLN 47 HA GLN 47 24.553 30.360 21.546 299 1HB GLN 47 2HB GLN 47 24.672 31.336 24.193 300 2HB GLN 47 3HB GLN 47 25.263 32.670 23.209 301 1HG GLN 47 2HG GLN 47 23.382 32.331 21.720 302 2HG GLN 47 3HG GLN 47 22.676 31.170 22.842 303 1HE2 GLN 47 1HE2 GLN 47 20.761 32.672 22.889 304 2HE2 GLN 47 2HE2 GLN 47 21.018 34.033 24.014 Start of MODEL 13 1 1H GLY 1 H GLY 1 25.454 32.883 35.186 2 1HA GLY 1 2HA GLY 1 25.875 30.462 34.725 3 2HA GLY 1 3HA GLY 1 26.767 31.576 33.683 4 H VAL 2 H VAL 2 27.780 29.149 33.818 5 HA VAL 2 HA VAL 2 30.262 29.385 35.495 6 HB VAL 2 HB VAL 2 28.743 27.027 34.842 7 1HG1 VAL 2 1HG1 VAL 2 30.959 27.052 36.822 8 2HG1 VAL 2 2HG1 VAL 2 29.858 25.666 36.495 9 3HG1 VAL 2 3HG1 VAL 2 30.909 26.201 35.242 10 1HG2 VAL 2 1HG2 VAL 2 27.293 28.030 36.221 11 2HG2 VAL 2 2HG2 VAL 2 27.971 26.612 36.983 12 3HG2 VAL 2 3HG2 VAL 2 28.620 28.269 37.444 13 HA HYP 3 HA HYP 3 31.821 27.946 31.537 14 1HB HYP 3 3HB HYP 3 34.256 27.658 31.752 15 2HB HYP 3 2HB HYP 3 34.040 26.606 33.161 16 1HD HYP 3 3HD HYP 3 32.246 29.414 34.976 17 2HD HYP 3 2HD HYP 3 32.654 27.709 35.280 18 HOD HYP 3 HOD HYP 3 34.037 30.554 33.699 19 HG HYP 3 HG HYP 3 34.729 28.501 34.319 20 H CYS 4 H CYS 4 31.105 26.328 30.331 21 HA CYS 4 HA CYS 4 31.648 23.609 31.198 22 1HB CYS 4 2HB CYS 4 29.593 24.191 32.349 23 2HB CYS 4 3HB CYS 4 28.859 24.550 30.754 24 H ARG 5 H ARG 5 31.987 22.220 29.704 25 HA ARG 5 HA ARG 5 31.992 23.077 26.934 26 1HB ARG 5 2HB ARG 5 33.245 21.005 26.515 27 2HB ARG 5 3HB ARG 5 33.964 22.159 27.642 28 1HG ARG 5 2HG ARG 5 33.338 20.935 29.511 29 2HG ARG 5 3HG ARG 5 32.620 19.651 28.448 30 1HD ARG 5 2HD ARG 5 34.743 18.762 28.228 31 2HD ARG 5 3HD ARG 5 35.245 20.307 27.484 32 HE ARG 5 HE ARG 5 35.263 20.394 30.343 33 1HH1 ARG 5 1HH1 ARG 5 37.377 19.506 27.513 34 2HH1 ARG 5 2HH1 ARG 5 38.756 19.852 28.485 35 1HH2 ARG 5 1HH2 ARG 5 36.840 20.851 31.184 36 2HH2 ARG 5 2HH2 ARG 5 38.541 20.542 30.712 37 H CYS 6 H CYS 6 31.751 21.222 25.422 38 HA CYS 6 HA CYS 6 28.927 20.231 25.480 39 1HB CYS 6 2HB CYS 6 30.514 20.687 22.943 40 2HB CYS 6 3HB CYS 6 28.757 20.634 23.217 41 H ASP 7 H ASP 7 28.738 18.066 24.050 42 HA ASP 7 HA ASP 7 30.126 16.025 25.281 43 1HB ASP 7 2HB ASP 7 28.596 16.182 22.692 44 2HB ASP 7 3HB ASP 7 29.489 14.709 23.066 45 H SER 8 H SER 8 30.948 17.164 22.021 46 HA SER 8 HA SER 8 33.433 15.556 21.996 47 1HB SER 8 2HB SER 8 31.914 15.879 20.013 48 2HB SER 8 3HB SER 8 32.376 17.583 19.972 49 HG SER 8 HG SER 8 34.617 16.691 19.925 50 H ASP 9 H ASP 9 32.869 18.346 23.527 51 HA ASP 9 HA ASP 9 33.699 20.413 23.759 52 1HB ASP 9 2HB ASP 9 35.282 20.416 25.386 53 2HB ASP 9 3HB ASP 9 34.341 18.933 25.563 54 H GLY 10 H GLY 10 34.044 20.047 21.084 55 1HA GLY 10 2HA GLY 10 35.802 22.231 20.648 56 2HA GLY 10 3HA GLY 10 36.502 20.708 19.984 57 HA PRO 11 HA PRO 11 32.470 21.822 17.645 58 1HB PRO 11 2HB PRO 11 31.514 24.472 18.185 59 2HB PRO 11 3HB PRO 11 30.844 22.942 18.834 60 1HG PRO 11 2HG PRO 11 33.084 24.643 20.077 61 2HG PRO 11 3HG PRO 11 31.566 24.047 20.879 62 1HD PRO 11 2HD PRO 11 33.839 22.878 21.204 63 2HD PRO 11 3HD PRO 11 32.439 21.842 20.751 64 H SER 12 H SER 12 35.105 23.824 18.109 65 HA SER 12 HA SER 12 36.546 25.049 16.996 66 1HB SER 12 2HB SER 12 35.256 23.531 14.803 67 2HB SER 12 3HB SER 12 36.776 24.412 14.578 68 HG SER 12 HG SER 12 36.346 22.152 16.275 69 H VAL 13 H VAL 13 35.118 26.682 17.601 70 HA VAL 13 HA VAL 13 35.151 28.658 15.422 71 HB VAL 13 HB VAL 13 32.510 28.867 16.555 72 1HG1 VAL 13 1HG1 VAL 13 33.478 27.937 13.830 73 2HG1 VAL 13 2HG1 VAL 13 31.846 28.556 14.197 74 3HG1 VAL 13 3HG1 VAL 13 33.263 29.628 14.323 75 1HG2 VAL 13 1HG2 VAL 13 32.860 26.274 17.012 76 2HG2 VAL 13 2HG2 VAL 13 31.437 26.772 16.043 77 3HG2 VAL 13 3HG2 VAL 13 32.908 26.095 15.295 78 H HIS 14 H HIS 14 34.117 28.264 18.426 79 HA HIS 14 HA HIS 14 34.072 30.908 19.533 80 1HB HIS 14 2HB HIS 14 34.251 28.168 20.762 81 2HB HIS 14 3HB HIS 14 33.544 29.601 21.554 82 HD1 HIS 14 HD1 HIS 14 30.775 30.052 20.626 83 HD2 HIS 14 HD2 HIS 14 32.920 26.662 19.300 84 HE1 HIS 14 HE1 HIS 14 29.143 28.590 19.491 85 H GLY 15 H GLY 15 36.292 28.184 20.334 86 1HA GLY 15 2HA GLY 15 38.734 29.470 20.594 87 2HA GLY 15 3HA GLY 15 37.950 29.623 22.177 88 H ASN 16 H ASN 16 39.991 28.242 22.706 89 HA ASN 16 HA ASN 16 39.757 25.365 22.096 90 1HB ASN 16 2HB ASN 16 42.073 25.357 22.762 91 2HB ASN 16 3HB ASN 16 41.807 26.707 21.659 92 1HD2 ASN 16 1HD2 ASN 16 43.156 25.838 24.634 93 2HD2 ASN 16 2HD2 ASN 16 43.246 27.474 25.298 94 H THR 17 H THR 17 38.505 27.152 24.416 95 HA THR 17 HA THR 17 38.478 25.051 26.598 96 HB THR 17 HB THR 17 38.737 26.790 28.285 97 HG1 THR 17 HG1 THR 17 39.422 28.906 27.372 98 1HG2 THR 17 1HG2 THR 17 40.923 27.244 26.237 99 2HG2 THR 17 2HG2 THR 17 40.848 25.855 27.347 100 3HG2 THR 17 3HG2 THR 17 41.009 27.505 27.992 101 H LEU 18 H LEU 18 36.990 26.108 28.368 102 HA LEU 18 HA LEU 18 34.442 25.417 27.741 103 1HB LEU 18 2HB LEU 18 35.629 26.804 30.075 104 2HB LEU 18 3HB LEU 18 33.943 26.177 30.037 105 HG LEU 18 HG LEU 18 36.274 24.362 29.404 106 1HD1 LEU 18 1HD1 LEU 18 34.855 24.932 31.977 107 2HD1 LEU 18 2HD1 LEU 18 36.494 25.500 31.574 108 3HD1 LEU 18 3HD1 LEU 18 36.161 23.732 31.731 109 1HD2 LEU 18 1HD2 LEU 18 34.563 22.672 29.973 110 2HD2 LEU 18 2HD2 LEU 18 33.955 23.818 28.787 111 3HD2 LEU 18 3HD2 LEU 18 33.458 24.036 30.480 112 H SER 19 H SER 19 34.573 27.202 25.736 113 HA SER 19 HA SER 19 33.456 29.811 26.362 114 1HB SER 19 2HB SER 19 34.645 29.219 24.205 115 2HB SER 19 3HB SER 19 33.200 28.313 23.718 116 HG SER 19 HG SER 19 32.038 30.349 24.214 117 H GLY 20 H GLY 20 32.105 26.725 26.480 118 1HA GLY 20 2HA GLY 20 29.327 27.444 25.814 119 2HA GLY 20 3HA GLY 20 29.893 25.859 26.381 120 H THR 21 H THR 21 27.723 26.800 27.846 121 HA THR 21 HA THR 21 28.997 27.575 30.404 122 HB THR 21 HB THR 21 26.765 29.185 29.092 123 HG1 THR 21 HG1 THR 21 29.526 29.411 29.023 124 1HG2 THR 21 1HG2 THR 21 28.373 29.865 31.527 125 2HG2 THR 21 2HG2 THR 21 26.638 29.398 31.492 126 3HG2 THR 21 3HG2 THR 21 27.182 30.892 30.662 127 H VAL 22 H VAL 22 27.854 26.951 32.254 128 HA VAL 22 HA VAL 22 25.417 25.509 31.821 129 HB VAL 22 HB VAL 22 26.835 24.090 32.692 130 1HG1 VAL 22 1HG1 VAL 22 28.496 25.486 33.577 131 2HG1 VAL 22 2HG1 VAL 22 27.272 25.713 34.979 132 3HG1 VAL 22 3HG1 VAL 22 27.988 24.133 34.667 133 1HG2 VAL 22 1HG2 VAL 22 24.419 24.288 33.594 134 2HG2 VAL 22 2HG2 VAL 22 25.559 23.387 34.575 135 3HG2 VAL 22 3HG2 VAL 22 25.108 25.078 35.033 136 H TRP 23 H TRP 23 23.862 25.990 32.597 137 HA TRP 23 HA TRP 23 23.253 28.460 34.137 138 1HB TRP 23 2HB TRP 23 21.445 27.240 32.019 139 2HB TRP 23 3HB TRP 23 21.371 28.874 32.687 140 HD1 TRP 23 HD1 TRP 23 23.008 26.736 30.052 141 HE1 TRP 23 HE1 TRP 23 24.480 28.197 28.486 142 HE3 TRP 23 HE3 TRP 23 22.834 31.172 32.583 143 HZ2 TRP 23 HZ2 TRP 23 25.241 30.881 28.294 144 HZ3 TRP 23 HZ3 TRP 23 23.838 33.245 31.588 145 HH2 TRP 23 HH2 TRP 23 24.984 33.076 29.337 146 H VAL 24 H VAL 24 22.559 27.863 35.948 147 HA VAL 24 HA VAL 24 21.696 25.098 36.339 148 HB VAL 24 HB VAL 24 22.112 25.235 38.462 149 1HG1 VAL 24 1HG1 VAL 24 24.076 27.283 37.345 150 2HG1 VAL 24 2HG1 VAL 24 24.430 25.974 38.497 151 3HG1 VAL 24 3HG1 VAL 24 24.030 25.603 36.780 152 1HG2 VAL 24 1HG2 VAL 24 22.129 27.261 39.841 153 2HG2 VAL 24 2HG2 VAL 24 21.707 28.229 38.393 154 3HG2 VAL 24 3HG2 VAL 24 20.563 27.001 38.993 155 H GLY 25 H GLY 25 19.704 24.700 37.560 156 1HA GLY 25 2HA GLY 25 17.487 25.181 37.935 157 2HA GLY 25 3HA GLY 25 17.767 26.850 37.390 158 H SER 26 H SER 26 18.598 26.685 34.841 159 HA SER 26 HA SER 26 17.998 24.765 32.995 160 1HB SER 26 2HB SER 26 15.585 25.204 33.551 161 2HB SER 26 3HB SER 26 15.809 26.842 32.894 162 HG SER 26 HG SER 26 16.419 24.411 31.490 163 H CYS 27 H CYS 27 18.002 25.660 30.669 164 HA CYS 27 HA CYS 27 20.353 27.329 30.229 165 1HB CYS 27 2HB CYS 27 19.447 25.354 28.856 166 2HB CYS 27 3HB CYS 27 18.328 26.523 28.134 167 H ALA 28 H ALA 28 20.727 29.077 29.174 168 HA ALA 28 HA ALA 28 19.139 31.382 29.638 169 1HB ALA 28 1HB ALA 28 21.539 31.398 29.638 170 2HB ALA 28 2HB ALA 28 21.629 30.794 27.998 171 3HB ALA 28 3HB ALA 28 21.015 32.443 28.317 172 H SER 29 H SER 29 17.753 32.398 28.462 173 HA SER 29 HA SER 29 15.922 31.771 26.855 174 1HB SER 29 2HB SER 29 17.232 34.468 26.450 175 2HB SER 29 3HB SER 29 15.502 34.085 26.593 176 HG SER 29 HG SER 29 16.743 35.022 28.496 177 H GLY 30 H GLY 30 18.972 32.025 25.340 178 1HA GLY 30 2HA GLY 30 17.748 31.839 22.602 179 2HA GLY 30 3HA GLY 30 18.968 33.069 22.921 180 H TRP 31 H TRP 31 19.584 30.253 24.646 181 HA TRP 31 HA TRP 31 21.749 29.452 22.699 182 1HB TRP 31 2HB TRP 31 21.524 28.613 25.578 183 2HB TRP 31 3HB TRP 31 22.824 28.330 24.523 184 HD1 TRP 31 HD1 TRP 31 21.481 31.940 25.170 185 HE1 TRP 31 HE1 TRP 31 23.493 33.343 25.893 186 HE3 TRP 31 HE3 TRP 31 24.888 28.239 25.738 187 HZ2 TRP 31 HZ2 TRP 31 26.251 32.946 26.279 188 HZ3 TRP 31 HZ3 TRP 31 27.219 28.768 26.517 189 HH2 TRP 31 HH2 TRP 31 27.945 31.077 26.707 190 H HIS 32 H HIS 32 22.306 26.913 23.110 191 HA HIS 32 HA HIS 32 19.805 25.371 23.459 192 1HB HIS 32 2HB HIS 32 21.334 24.948 20.848 193 2HB HIS 32 3HB HIS 32 19.822 24.239 21.336 194 HD1 HIS 32 HD1 HIS 32 17.712 25.449 20.329 195 HD2 HIS 32 HD2 HIS 32 21.299 27.650 20.258 196 HE1 HIS 32 HE1 HIS 32 17.210 27.597 19.050 197 H LYS 33 H LYS 33 20.232 23.039 23.214 198 HA LYS 33 HA LYS 33 22.402 22.098 24.901 199 1HB LYS 33 2HB LYS 33 20.063 20.838 23.643 200 2HB LYS 33 3HB LYS 33 21.518 19.830 23.571 201 1HG LYS 33 2HG LYS 33 20.548 19.400 25.748 202 2HG LYS 33 3HG LYS 33 21.956 20.447 26.040 203 1HD LYS 33 2HD LYS 33 20.435 22.444 25.943 204 2HD LYS 33 3HD LYS 33 19.039 21.325 25.758 205 1HE LYS 33 2HE LYS 33 19.080 21.217 28.032 206 2HE LYS 33 3HE LYS 33 20.456 20.126 27.700 207 1HZ LYS 33 1HZ LYS 33 21.145 21.748 29.250 208 2HZ LYS 33 2HZ LYS 33 20.523 22.962 28.395 209 3HZ LYS 33 3HZ LYS 33 21.907 22.156 27.838 210 H CYS 34 H CYS 34 24.352 22.160 24.352 211 HA CYS 34 HA CYS 34 25.339 21.692 21.576 212 1HB CYS 34 2HB CYS 34 26.162 23.432 23.297 213 2HB CYS 34 3HB CYS 34 26.910 22.085 24.137 214 H ASN 35 H ASN 35 24.322 19.803 24.240 215 HA ASN 35 HA ASN 35 25.796 17.437 23.346 216 1HB ASN 35 2HB ASN 35 26.507 17.004 25.671 217 2HB ASN 35 3HB ASN 35 27.281 18.443 25.027 218 1HD2 ASN 35 1HD2 ASN 35 26.402 17.373 27.714 219 2HD2 ASN 35 2HD2 ASN 35 25.077 18.412 28.100 220 H ASP 36 H ASP 36 24.970 15.536 24.414 221 HA ASP 36 HA ASP 36 22.129 15.437 24.264 222 1HB ASP 36 2HB ASP 36 23.921 13.637 23.781 223 2HB ASP 36 3HB ASP 36 23.954 13.342 25.519 224 H GLU 37 H GLU 37 24.247 15.227 26.914 225 HA GLU 37 HA GLU 37 22.223 15.151 29.047 226 1HB GLU 37 2HB GLU 37 24.126 14.922 30.548 227 2HB GLU 37 3HB GLU 37 24.176 13.699 29.254 228 1HG GLU 37 2HG GLU 37 25.740 15.247 28.007 229 2HG GLU 37 3HG GLU 37 25.763 16.252 29.455 230 H TYR 38 H TYR 38 23.042 16.780 31.050 231 HA TYR 38 HA TYR 38 23.668 19.457 29.907 232 1HB TYR 38 2HB TYR 38 21.905 19.567 32.039 233 2HB TYR 38 3HB TYR 38 21.882 20.315 30.384 234 HD1 TYR 38 HD1 TYR 38 21.140 18.652 28.524 235 HD2 TYR 38 HD2 TYR 38 20.328 18.261 32.719 236 HE1 TYR 38 HE1 TYR 38 19.561 16.887 28.000 237 HE2 TYR 38 HE2 TYR 38 18.604 16.502 32.224 238 HH TYR 38 HH TYR 38 17.392 15.963 29.072 239 H ASN 39 H ASN 39 22.741 18.022 33.059 240 HA ASN 39 HA ASN 39 25.260 17.830 34.185 241 1HB ASN 39 2HB ASN 39 24.595 20.534 34.017 242 2HB ASN 39 3HB ASN 39 24.131 20.076 35.650 243 1HD2 ASN 39 1HD2 ASN 39 26.693 20.593 33.515 244 2HD2 ASN 39 2HD2 ASN 39 28.030 20.276 34.640 245 H ILE 40 H ILE 40 25.243 17.914 36.598 246 HA ILE 40 HA ILE 40 24.046 15.940 37.862 247 HB ILE 40 HB ILE 40 25.974 17.352 38.480 248 1HG1 ILE 40 2HG1 ILE 40 25.732 17.516 40.847 249 2HG1 ILE 40 3HG1 ILE 40 23.964 17.506 40.745 250 1HG2 ILE 40 1HG2 ILE 40 25.721 19.523 39.452 251 2HG2 ILE 40 2HG2 ILE 40 24.801 19.513 37.913 252 3HG2 ILE 40 3HG2 ILE 40 23.954 19.363 39.495 253 1HD1 ILE 40 1HD1 ILE 40 23.934 15.256 39.938 254 2HD1 ILE 40 2HD1 ILE 40 25.679 15.269 39.616 255 3HD1 ILE 40 3HD1 ILE 40 25.076 15.235 41.309 256 H ALA 41 H ALA 41 23.014 19.039 37.553 257 HA ALA 41 HA ALA 41 20.231 18.720 38.472 258 1HB ALA 41 1HB ALA 41 22.293 20.696 39.445 259 2HB ALA 41 2HB ALA 41 20.554 20.905 39.764 260 3HB ALA 41 3HB ALA 41 21.424 19.492 40.428 261 H TYR 42 H TYR 42 22.648 21.000 37.426 262 HA TYR 42 HA TYR 42 21.370 23.112 36.210 263 1HB TYR 42 2HB TYR 42 24.090 22.220 35.623 264 2HB TYR 42 3HB TYR 42 23.349 23.796 35.748 265 HD1 TYR 42 HD2 TYR 42 22.149 22.766 38.657 266 HD2 TYR 42 HD1 TYR 42 25.763 23.701 36.609 267 HE1 TYR 42 HE2 TYR 42 23.243 23.000 40.808 268 HE2 TYR 42 HE1 TYR 42 26.687 24.546 38.653 269 HH TYR 42 HH TYR 42 25.109 23.761 41.905 270 H GLU 43 H GLU 43 22.495 23.692 33.991 271 HA GLU 43 HA GLU 43 22.425 21.496 32.027 272 1HB GLU 43 2HB GLU 43 20.582 23.744 32.110 273 2HB GLU 43 3HB GLU 43 21.222 23.367 30.553 274 1HG GLU 43 2HG GLU 43 20.001 21.234 30.575 275 2HG GLU 43 3HG GLU 43 19.397 21.593 32.221 276 H CYS 44 H CYS 44 23.906 21.532 30.701 277 HA CYS 44 HA CYS 44 25.512 23.976 30.180 278 1HB CYS 44 2HB CYS 44 25.986 21.073 29.450 279 2HB CYS 44 3HB CYS 44 27.068 22.407 29.038 280 H CYS 45 H CYS 45 25.512 25.042 28.365 281 HA CYS 45 HA CYS 45 24.263 24.148 25.812 282 1HB CYS 45 2HB CYS 45 23.533 26.731 27.244 283 2HB CYS 45 3HB CYS 45 23.107 26.286 25.578 284 H LYS 46 H LYS 46 24.700 25.881 24.245 285 HA LYS 46 HA LYS 46 27.206 27.387 24.696 286 1HB LYS 46 2HB LYS 46 28.549 26.315 23.381 287 2HB LYS 46 3HB LYS 46 27.507 24.932 23.700 288 1HG LYS 46 2HG LYS 46 27.469 26.781 21.359 289 2HG LYS 46 3HG LYS 46 28.020 25.085 21.423 290 1HD LYS 46 2HD LYS 46 26.040 24.282 21.044 291 2HD LYS 46 3HD LYS 46 25.475 25.157 22.497 292 1HE LYS 46 2HE LYS 46 25.578 27.221 20.961 293 2HE LYS 46 3HE LYS 46 25.247 26.022 19.674 294 1HZ LYS 46 1HZ LYS 46 23.672 26.465 22.184 295 2HZ LYS 46 2HZ LYS 46 23.410 25.217 21.086 296 3HZ LYS 46 3HZ LYS 46 23.198 26.802 20.594 297 H GLN 47 H GLN 47 27.685 28.796 22.878 298 HA GLN 47 HA GLN 47 25.552 29.615 21.075 299 1HB GLN 47 2HB GLN 47 26.029 31.104 23.575 300 2HB GLN 47 3HB GLN 47 26.281 32.106 22.149 301 1HG GLN 47 2HG GLN 47 24.185 31.319 21.220 302 2HG GLN 47 3HG GLN 47 23.803 30.513 22.741 303 1HE2 GLN 47 1HE2 GLN 47 21.864 32.139 22.207 304 2HE2 GLN 47 2HE2 GLN 47 22.127 33.621 23.139 Start of MODEL 14 1 1H GLY 1 H GLY 1 26.936 32.821 37.257 2 1HA GLY 1 2HA GLY 1 25.880 31.018 35.941 3 2HA GLY 1 3HA GLY 1 26.396 31.873 34.501 4 H VAL 2 H VAL 2 27.250 29.269 34.878 5 HA VAL 2 HA VAL 2 30.016 29.519 35.975 6 HB VAL 2 HB VAL 2 28.619 27.154 35.136 7 1HG1 VAL 2 1HG1 VAL 2 29.837 25.703 36.327 8 2HG1 VAL 2 2HG1 VAL 2 30.939 26.677 35.390 9 3HG1 VAL 2 3HG1 VAL 2 30.770 27.034 37.133 10 1HG2 VAL 2 1HG2 VAL 2 27.143 28.012 36.674 11 2HG2 VAL 2 2HG2 VAL 2 27.916 26.537 37.253 12 3HG2 VAL 2 3HG2 VAL 2 28.520 28.173 37.844 13 HA HYP 3 HA HYP 3 31.035 28.866 31.683 14 1HB HYP 3 3HB HYP 3 33.486 29.061 31.541 15 2HB HYP 3 2HB HYP 3 33.706 27.851 32.802 16 1HD HYP 3 3HD HYP 3 31.763 30.017 35.231 17 2HD HYP 3 2HD HYP 3 32.462 28.387 35.230 18 HOD HYP 3 HOD HYP 3 33.270 31.653 33.896 19 HG HYP 3 HG HYP 3 34.227 29.675 34.132 20 H CYS 4 H CYS 4 30.462 27.240 30.431 21 HA CYS 4 HA CYS 4 31.417 24.542 31.075 22 1HB CYS 4 2HB CYS 4 29.535 24.815 32.440 23 2HB CYS 4 3HB CYS 4 28.595 25.453 31.065 24 H ARG 5 H ARG 5 31.840 23.299 29.381 25 HA ARG 5 HA ARG 5 31.143 24.341 26.722 26 1HB ARG 5 2HB ARG 5 32.817 22.920 25.817 27 2HB ARG 5 3HB ARG 5 33.439 23.994 27.078 28 1HG ARG 5 2HG ARG 5 33.432 22.289 28.668 29 2HG ARG 5 3HG ARG 5 32.783 21.126 27.395 30 1HD ARG 5 2HD ARG 5 34.939 20.769 26.731 31 2HD ARG 5 3HD ARG 5 34.988 22.500 26.291 32 HE ARG 5 HE ARG 5 35.519 22.077 29.069 33 1HH1 ARG 5 1HH1 ARG 5 37.145 21.880 25.915 34 2HH1 ARG 5 2HH1 ARG 5 38.664 22.371 26.628 35 1HH2 ARG 5 1HH2 ARG 5 37.140 22.792 29.709 36 2HH2 ARG 5 2HH2 ARG 5 38.741 22.920 28.898 37 H CYS 6 H CYS 6 30.809 23.110 25.122 38 HA CYS 6 HA CYS 6 28.459 21.367 25.367 39 1HB CYS 6 2HB CYS 6 29.717 22.208 22.741 40 2HB CYS 6 3HB CYS 6 28.025 21.908 23.175 41 H ASP 7 H ASP 7 28.300 19.750 23.462 42 HA ASP 7 HA ASP 7 29.961 17.435 24.033 43 1HB ASP 7 2HB ASP 7 27.907 16.643 23.521 44 2HB ASP 7 3HB ASP 7 27.460 18.075 22.612 45 H SER 8 H SER 8 29.765 19.729 21.431 46 HA SER 8 HA SER 8 32.250 18.634 20.169 47 1HB SER 8 2HB SER 8 30.348 18.419 18.690 48 2HB SER 8 3HB SER 8 29.904 20.119 18.934 49 HG SER 8 HG SER 8 31.939 20.677 18.080 50 H ASP 9 H ASP 9 32.828 20.083 22.389 51 HA ASP 9 HA ASP 9 32.935 22.848 22.039 52 1HB ASP 9 2HB ASP 9 34.240 22.889 24.029 53 2HB ASP 9 3HB ASP 9 33.320 21.397 24.152 54 H GLY 10 H GLY 10 34.970 20.400 20.764 55 1HA GLY 10 2HA GLY 10 35.880 21.662 18.532 56 2HA GLY 10 3HA GLY 10 37.122 22.100 19.766 57 HA PRO 11 HA PRO 11 37.152 17.414 18.982 58 1HB PRO 11 2HB PRO 11 35.540 16.379 16.914 59 2HB PRO 11 3HB PRO 11 34.972 16.618 18.597 60 1HG PRO 11 2HG PRO 11 34.844 18.721 16.348 61 2HG PRO 11 3HG PRO 11 33.446 18.008 17.259 62 1HD PRO 11 2HD PRO 11 34.489 20.262 17.978 63 2HD PRO 11 3HD PRO 11 34.298 19.019 19.259 64 H SER 12 H SER 12 37.454 19.672 16.410 65 HA SER 12 HA SER 12 39.576 18.049 15.139 66 1HB SER 12 2HB SER 12 37.328 19.309 13.566 67 2HB SER 12 3HB SER 12 38.661 18.351 12.876 68 HG SER 12 HG SER 12 37.659 16.754 14.603 69 H VAL 13 H VAL 13 39.396 20.498 16.621 70 HA VAL 13 HA VAL 13 41.396 22.154 15.179 71 HB VAL 13 HB VAL 13 39.500 22.863 14.083 72 1HG1 VAL 13 1HG1 VAL 13 37.989 22.808 16.695 73 2HG1 VAL 13 2HG1 VAL 13 37.374 23.557 15.190 74 3HG1 VAL 13 3HG1 VAL 13 37.721 21.806 15.251 75 1HG2 VAL 13 1HG2 VAL 13 39.439 25.133 14.581 76 2HG2 VAL 13 2HG2 VAL 13 39.819 24.867 16.298 77 3HG2 VAL 13 3HG2 VAL 13 41.039 24.478 15.037 78 H HIS 14 H HIS 14 42.003 24.004 16.748 79 HA HIS 14 HA HIS 14 42.373 22.899 19.417 80 1HB HIS 14 2HB HIS 14 43.374 25.173 19.835 81 2HB HIS 14 3HB HIS 14 44.193 24.124 18.671 82 HD1 HIS 14 HD1 HIS 14 41.616 26.997 18.479 83 HD2 HIS 14 HD2 HIS 14 44.729 25.209 16.320 84 HE1 HIS 14 HE1 HIS 14 42.054 28.517 16.438 85 H GLY 15 H GLY 15 40.934 22.982 21.015 86 1HA GLY 15 2HA GLY 15 38.636 24.718 20.962 87 2HA GLY 15 3HA GLY 15 39.161 23.698 22.327 88 H ASN 16 H ASN 16 38.254 26.745 22.031 89 HA ASN 16 HA ASN 16 40.640 28.056 23.085 90 1HB ASN 16 2HB ASN 16 39.300 30.117 22.611 91 2HB ASN 16 3HB ASN 16 39.672 29.136 21.203 92 1HD2 ASN 16 1HD2 ASN 16 36.918 30.433 23.171 93 2HD2 ASN 16 2HD2 ASN 16 35.799 29.753 21.995 94 H THR 17 H THR 17 37.135 28.457 23.868 95 HA THR 17 HA THR 17 37.679 28.021 26.765 96 HB THR 17 HB THR 17 36.777 30.349 27.207 97 HG1 THR 17 HG1 THR 17 36.264 31.690 25.539 98 1HG2 THR 17 1HG2 THR 17 38.572 31.743 26.414 99 2HG2 THR 17 2HG2 THR 17 38.959 30.588 25.110 100 3HG2 THR 17 3HG2 THR 17 39.240 30.139 26.814 101 H LEU 18 H LEU 18 35.998 28.403 28.118 102 HA LEU 18 HA LEU 18 33.604 27.105 27.485 103 1HB LEU 18 2HB LEU 18 34.731 28.398 29.929 104 2HB LEU 18 3HB LEU 18 33.163 27.510 29.901 105 HG LEU 18 HG LEU 18 35.704 26.203 28.877 106 1HD1 LEU 18 1HD1 LEU 18 34.511 26.188 31.617 107 2HD1 LEU 18 2HD1 LEU 18 35.957 27.116 31.144 108 3HD1 LEU 18 3HD1 LEU 18 35.975 25.318 31.082 109 1HD2 LEU 18 1HD2 LEU 18 33.123 25.264 30.159 110 2HD2 LEU 18 2HD2 LEU 18 34.339 24.213 29.248 111 3HD2 LEU 18 3HD2 LEU 18 33.379 25.436 28.427 112 H SER 19 H SER 19 33.251 28.766 25.699 113 HA SER 19 HA SER 19 32.077 31.365 26.293 114 1HB SER 19 2HB SER 19 33.066 30.486 24.067 115 2HB SER 19 3HB SER 19 31.534 29.615 23.871 116 HG SER 19 HG SER 19 31.310 31.517 22.862 117 H GLY 20 H GLY 20 31.013 28.094 26.361 118 1HA GLY 20 2HA GLY 20 28.122 28.562 26.342 119 2HA GLY 20 3HA GLY 20 28.949 27.017 26.640 120 H THR 21 H THR 21 26.838 27.998 28.297 121 HA THR 21 HA THR 21 28.257 28.445 30.869 122 HB THR 21 HB THR 21 25.764 29.873 29.838 123 HG1 THR 21 HG1 THR 21 27.102 31.688 29.806 124 1HG2 THR 21 1HG2 THR 21 26.007 31.422 31.604 125 2HG2 THR 21 2HG2 THR 21 27.336 30.459 32.347 126 3HG2 THR 21 3HG2 THR 21 25.688 29.778 32.251 127 H VAL 22 H VAL 22 27.300 27.337 32.635 128 HA VAL 22 HA VAL 22 25.015 25.693 32.009 129 HB VAL 22 HB VAL 22 26.645 24.370 32.801 130 1HG1 VAL 22 1HG1 VAL 22 27.662 24.613 34.994 131 2HG1 VAL 22 2HG1 VAL 22 28.139 25.819 33.702 132 3HG1 VAL 22 3HG1 VAL 22 26.846 26.185 34.989 133 1HG2 VAL 22 1HG2 VAL 22 24.818 24.902 35.246 134 2HG2 VAL 22 2HG2 VAL 22 24.185 24.215 33.707 135 3HG2 VAL 22 3HG2 VAL 22 25.442 23.353 34.498 136 H TRP 23 H TRP 23 23.390 25.812 32.915 137 HA TRP 23 HA TRP 23 22.533 28.006 34.733 138 1HB TRP 23 2HB TRP 23 20.770 26.790 32.590 139 2HB TRP 23 3HB TRP 23 20.533 28.324 33.449 140 HD1 TRP 23 HD1 TRP 23 22.389 26.722 30.562 141 HE1 TRP 23 HE1 TRP 23 23.653 28.523 29.205 142 HE3 TRP 23 HE3 TRP 23 21.609 30.802 33.542 143 HZ2 TRP 23 HZ2 TRP 23 23.967 31.318 29.249 144 HZ3 TRP 23 HZ3 TRP 23 22.270 33.077 32.781 145 HH2 TRP 23 HH2 TRP 23 23.427 33.335 30.536 146 H VAL 24 H VAL 24 21.776 27.297 36.409 147 HA VAL 24 HA VAL 24 21.427 24.392 36.768 148 HB VAL 24 HB VAL 24 21.894 26.714 38.585 149 1HG1 VAL 24 1HG1 VAL 24 21.959 25.089 40.436 150 2HG1 VAL 24 2HG1 VAL 24 20.338 25.299 39.685 151 3HG1 VAL 24 3HG1 VAL 24 21.253 23.881 39.323 152 1HG2 VAL 24 1HG2 VAL 24 24.124 25.388 38.820 153 2HG2 VAL 24 2HG2 VAL 24 23.744 25.063 37.070 154 3HG2 VAL 24 3HG2 VAL 24 23.791 26.670 37.642 155 H GLY 25 H GLY 25 19.534 23.518 37.626 156 1HA GLY 25 2HA GLY 25 17.309 23.473 38.159 157 2HA GLY 25 3HA GLY 25 17.376 25.232 38.238 158 H SER 26 H SER 26 18.207 25.633 35.469 159 HA SER 26 HA SER 26 16.980 24.251 33.339 160 1HB SER 26 2HB SER 26 14.825 24.813 33.888 161 2HB SER 26 3HB SER 26 15.274 26.376 34.603 162 HG SER 26 HG SER 26 15.683 27.041 32.329 163 H CYS 27 H CYS 27 17.353 25.165 31.396 164 HA CYS 27 HA CYS 27 19.567 27.019 30.924 165 1HB CYS 27 2HB CYS 27 18.524 25.166 29.377 166 2HB CYS 27 3HB CYS 27 17.366 26.420 28.944 167 H ALA 28 H ALA 28 19.617 28.881 29.788 168 HA ALA 28 HA ALA 28 17.865 30.971 30.809 169 1HB ALA 28 1HB ALA 28 19.520 32.388 29.526 170 2HB ALA 28 2HB ALA 28 20.255 31.250 30.692 171 3HB ALA 28 3HB ALA 28 20.314 30.868 28.983 172 H SER 29 H SER 29 16.227 31.846 29.779 173 HA SER 29 HA SER 29 14.516 31.014 28.075 174 1HB SER 29 2HB SER 29 15.352 33.920 27.917 175 2HB SER 29 3HB SER 29 13.714 33.245 27.780 176 HG SER 29 HG SER 29 14.827 34.134 29.930 177 H GLY 30 H GLY 30 17.194 32.890 26.699 178 1HA GLY 30 2HA GLY 30 16.224 32.397 23.919 179 2HA GLY 30 3HA GLY 30 17.461 33.540 24.426 180 H TRP 31 H TRP 31 18.198 30.608 25.834 181 HA TRP 31 HA TRP 31 20.265 30.053 23.728 182 1HB TRP 31 2HB TRP 31 20.225 29.078 26.572 183 2HB TRP 31 3HB TRP 31 21.510 28.914 25.445 184 HD1 TRP 31 HD1 TRP 31 19.939 32.364 26.362 185 HE1 TRP 31 HE1 TRP 31 21.876 33.879 27.058 186 HE3 TRP 31 HE3 TRP 31 23.665 28.959 26.441 187 HZ2 TRP 31 HZ2 TRP 31 24.648 33.679 27.396 188 HZ3 TRP 31 HZ3 TRP 31 25.995 29.619 27.175 189 HH2 TRP 31 HH2 TRP 31 26.527 31.933 27.580 190 H HIS 32 H HIS 32 21.003 27.522 24.064 191 HA HIS 32 HA HIS 32 18.693 25.755 24.407 192 1HB HIS 32 2HB HIS 32 20.078 25.564 21.713 193 2HB HIS 32 3HB HIS 32 18.641 24.737 22.262 194 HD1 HIS 32 HD1 HIS 32 16.315 25.961 21.724 195 HD2 HIS 32 HD2 HIS 32 19.795 28.246 21.180 196 HE1 HIS 32 HE1 HIS 32 15.610 28.028 20.400 197 H LYS 33 H LYS 33 19.326 23.540 24.171 198 HA LYS 33 HA LYS 33 21.737 22.842 25.539 199 1HB LYS 33 2HB LYS 33 19.412 21.388 24.477 200 2HB LYS 33 3HB LYS 33 20.923 20.502 24.185 201 1HG LYS 33 2HG LYS 33 20.202 19.818 26.247 202 2HG LYS 33 3HG LYS 33 21.559 20.928 26.576 203 1HD LYS 33 2HD LYS 33 20.027 22.790 26.967 204 2HD LYS 33 3HD LYS 33 18.599 21.803 26.527 205 1HE LYS 33 2HE LYS 33 20.603 21.195 28.649 206 2HE LYS 33 3HE LYS 33 19.019 21.996 28.967 207 1HZ LYS 33 1HZ LYS 33 19.427 19.334 27.781 208 2HZ LYS 33 2HZ LYS 33 17.939 19.986 28.090 209 3HZ LYS 33 3HZ LYS 33 18.950 19.556 29.344 210 H CYS 34 H CYS 34 23.683 22.836 24.908 211 HA CYS 34 HA CYS 34 24.363 22.514 22.054 212 1HB CYS 34 2HB CYS 34 25.157 24.337 23.687 213 2HB CYS 34 3HB CYS 34 26.156 23.086 24.415 214 H ASN 35 H ASN 35 23.538 20.230 24.545 215 HA ASN 35 HA ASN 35 25.144 18.225 23.173 216 1HB ASN 35 2HB ASN 35 26.311 17.441 25.158 217 2HB ASN 35 3HB ASN 35 26.870 19.022 24.671 218 1HD2 ASN 35 1HD2 ASN 35 26.750 17.472 27.282 219 2HD2 ASN 35 2HD2 ASN 35 25.403 18.289 28.014 220 H ASP 36 H ASP 36 24.815 16.067 24.103 221 HA ASP 36 HA ASP 36 22.044 15.450 24.356 222 1HB ASP 36 2HB ASP 36 23.840 13.976 23.343 223 2HB ASP 36 3HB ASP 36 24.501 13.753 24.970 224 H GLU 37 H GLU 37 24.669 15.376 26.595 225 HA GLU 37 HA GLU 37 22.983 14.862 28.924 226 1HB GLU 37 2HB GLU 37 25.127 14.673 30.128 227 2HB GLU 37 3HB GLU 37 24.929 13.553 28.760 228 1HG GLU 37 2HG GLU 37 26.257 15.245 27.370 229 2HG GLU 37 3HG GLU 37 26.551 16.060 28.908 230 H TYR 38 H TYR 38 23.877 16.502 30.972 231 HA TYR 38 HA TYR 38 23.966 19.290 29.885 232 1HB TYR 38 2HB TYR 38 22.239 18.809 32.188 233 2HB TYR 38 3HB TYR 38 21.976 19.847 30.728 234 HD1 TYR 38 HD1 TYR 38 21.359 16.692 32.354 235 HD2 TYR 38 HD2 TYR 38 21.246 18.970 28.736 236 HE1 TYR 38 HE1 TYR 38 20.280 14.771 31.244 237 HE2 TYR 38 HE2 TYR 38 20.090 17.023 27.554 238 HH TYR 38 HH TYR 38 20.109 14.704 27.797 239 H ASN 39 H ASN 39 23.602 17.448 32.867 240 HA ASN 39 HA ASN 39 26.012 17.796 34.097 241 1HB ASN 39 2HB ASN 39 24.731 20.332 34.026 242 2HB ASN 39 3HB ASN 39 24.516 19.728 35.636 243 1HD2 ASN 39 1HD2 ASN 39 26.700 21.048 33.445 244 2HD2 ASN 39 2HD2 ASN 39 28.150 20.940 34.457 245 H ILE 40 H ILE 40 25.956 17.761 36.472 246 HA ILE 40 HA ILE 40 24.970 15.607 37.650 247 HB ILE 40 HB ILE 40 26.808 17.127 38.278 248 1HG1 ILE 40 2HG1 ILE 40 26.634 17.162 40.648 249 2HG1 ILE 40 3HG1 ILE 40 24.862 17.046 40.606 250 1HG2 ILE 40 1HG2 ILE 40 24.665 18.934 39.427 251 2HG2 ILE 40 2HG2 ILE 40 26.425 19.227 39.373 252 3HG2 ILE 40 3HG2 ILE 40 25.486 19.234 37.852 253 1HD1 ILE 40 1HD1 ILE 40 26.659 14.966 39.309 254 2HD1 ILE 40 2HD1 ILE 40 26.133 14.816 41.027 255 3HD1 ILE 40 3HD1 ILE 40 24.938 14.826 39.699 256 H ALA 41 H ALA 41 23.669 18.639 37.523 257 HA ALA 41 HA ALA 41 20.989 18.020 38.605 258 1HB ALA 41 1HB ALA 41 21.197 20.230 39.880 259 2HB ALA 41 2HB ALA 41 22.279 18.928 40.436 260 3HB ALA 41 3HB ALA 41 22.906 20.232 39.411 261 H TYR 42 H TYR 42 23.029 20.505 37.369 262 HA TYR 42 HA TYR 42 21.378 22.405 36.207 263 1HB TYR 42 2HB TYR 42 24.184 21.939 35.429 264 2HB TYR 42 3HB TYR 42 23.276 23.419 35.776 265 HD1 TYR 42 HD2 TYR 42 22.413 22.371 38.569 266 HD2 TYR 42 HD1 TYR 42 26.002 23.067 36.379 267 HE1 TYR 42 HE2 TYR 42 23.493 22.884 40.620 268 HE2 TYR 42 HE1 TYR 42 27.228 23.524 38.430 269 HH TYR 42 HH TYR 42 27.065 23.547 40.900 270 H GLU 43 H GLU 43 22.437 23.247 34.068 271 HA GLU 43 HA GLU 43 22.658 21.199 31.980 272 1HB GLU 43 2HB GLU 43 20.694 23.442 31.804 273 2HB GLU 43 3HB GLU 43 21.197 22.503 30.496 274 1HG GLU 43 2HG GLU 43 19.828 20.670 31.146 275 2HG GLU 43 3HG GLU 43 19.808 21.177 32.845 276 H CYS 44 H CYS 44 24.057 21.566 30.539 277 HA CYS 44 HA CYS 44 25.402 24.146 30.287 278 1HB CYS 44 2HB CYS 44 26.341 21.641 30.315 279 2HB CYS 44 3HB CYS 44 25.981 21.725 28.599 280 H CYS 45 H CYS 45 24.696 25.665 28.956 281 HA CYS 45 HA CYS 45 23.517 24.903 26.295 282 1HB CYS 45 2HB CYS 45 22.592 27.198 28.029 283 2HB CYS 45 3HB CYS 45 22.101 26.861 26.356 284 H LYS 46 H LYS 46 23.681 26.697 24.816 285 HA LYS 46 HA LYS 46 26.085 28.407 25.201 286 1HB LYS 46 2HB LYS 46 27.364 27.488 23.716 287 2HB LYS 46 3HB LYS 46 26.390 26.046 24.053 288 1HG LYS 46 2HG LYS 46 26.074 27.972 21.812 289 2HG LYS 46 3HG LYS 46 26.720 26.293 21.785 290 1HD LYS 46 2HD LYS 46 24.787 25.407 21.504 291 2HD LYS 46 3HD LYS 46 24.327 26.144 23.053 292 1HE LYS 46 2HE LYS 46 24.132 28.310 21.602 293 2HE LYS 46 3HE LYS 46 23.702 27.131 20.317 294 1HZ LYS 46 1HZ LYS 46 21.665 27.556 21.442 295 2HZ LYS 46 2HZ LYS 46 22.414 27.698 22.919 296 3HZ LYS 46 3HZ LYS 46 22.212 26.209 22.287 297 H GLN 47 H GLN 47 26.389 29.962 23.566 298 HA GLN 47 HA GLN 47 24.251 30.904 21.823 299 1HB GLN 47 2HB GLN 47 24.465 31.957 24.538 300 2HB GLN 47 3HB GLN 47 24.610 33.252 23.350 301 1HG GLN 47 2HG GLN 47 22.655 32.385 22.207 302 2HG GLN 47 3HG GLN 47 22.320 31.345 23.591 303 1HE2 GLN 47 1HE2 GLN 47 20.209 32.847 23.273 304 2HE2 GLN 47 2HE2 GLN 47 20.379 34.226 24.378 Start of MODEL 15 1 1H GLY 1 H GLY 1 27.421 33.391 35.972 2 1HA GLY 1 2HA GLY 1 25.786 30.973 35.434 3 2HA GLY 1 3HA GLY 1 26.681 31.854 34.195 4 H VAL 2 H VAL 2 27.491 29.377 34.312 5 HA VAL 2 HA VAL 2 30.082 29.532 35.802 6 HB VAL 2 HB VAL 2 28.630 27.162 35.104 7 1HG1 VAL 2 1HG1 VAL 2 30.856 26.517 35.400 8 2HG1 VAL 2 2HG1 VAL 2 30.789 27.117 37.089 9 3HG1 VAL 2 3HG1 VAL 2 29.760 25.746 36.496 10 1HG2 VAL 2 1HG2 VAL 2 27.869 26.682 37.252 11 2HG2 VAL 2 2HG2 VAL 2 28.494 28.344 37.743 12 3HG2 VAL 2 3HG2 VAL 2 27.148 28.121 36.546 13 HA HYP 3 HA HYP 3 31.272 28.529 31.632 14 1HB HYP 3 3HB HYP 3 33.726 28.452 31.592 15 2HB HYP 3 2HB HYP 3 33.764 27.313 32.944 16 1HD HYP 3 3HD HYP 3 31.951 29.701 35.194 17 2HD HYP 3 2HD HYP 3 32.536 28.029 35.222 18 HOD HYP 3 HOD HYP 3 33.760 30.683 32.383 19 HG HYP 3 HG HYP 3 34.389 29.218 34.146 20 H CYS 4 H CYS 4 30.559 26.942 30.417 21 HA CYS 4 HA CYS 4 31.257 24.183 31.063 22 1HB CYS 4 2HB CYS 4 29.414 24.588 32.549 23 2HB CYS 4 3HB CYS 4 28.459 25.148 31.155 24 H ARG 5 H ARG 5 31.926 23.286 29.297 25 HA ARG 5 HA ARG 5 30.794 24.107 26.803 26 1HB ARG 5 2HB ARG 5 32.386 22.908 25.665 27 2HB ARG 5 3HB ARG 5 32.907 24.254 26.715 28 1HG ARG 5 2HG ARG 5 34.361 22.345 26.238 29 2HG ARG 5 3HG ARG 5 34.223 22.748 27.933 30 1HD ARG 5 2HD ARG 5 32.703 20.647 26.538 31 2HD ARG 5 3HD ARG 5 34.232 20.352 27.475 32 HE ARG 5 HE ARG 5 31.547 20.858 28.526 33 1HH1 ARG 5 1HH1 ARG 5 34.578 19.511 29.359 34 2HH1 ARG 5 2HH1 ARG 5 34.533 19.980 31.024 35 1HH2 ARG 5 1HH2 ARG 5 31.379 21.329 30.434 36 2HH2 ARG 5 2HH2 ARG 5 32.494 20.826 31.736 37 H CYS 6 H CYS 6 30.830 22.433 25.218 38 HA CYS 6 HA CYS 6 29.004 20.152 25.872 39 1HB CYS 6 2HB CYS 6 28.253 20.670 23.449 40 2HB CYS 6 3HB CYS 6 27.754 21.697 24.825 41 H ASP 7 H ASP 7 28.882 18.683 23.756 42 HA ASP 7 HA ASP 7 31.384 17.235 23.674 43 1HB ASP 7 2HB ASP 7 29.075 16.238 23.418 44 2HB ASP 7 3HB ASP 7 28.965 16.976 21.812 45 H SER 8 H SER 8 29.581 19.061 21.227 46 HA SER 8 HA SER 8 31.953 19.380 19.515 47 1HB SER 8 2HB SER 8 29.786 18.836 18.502 48 2HB SER 8 3HB SER 8 29.099 20.346 19.150 49 HG SER 8 HG SER 8 30.850 21.407 18.025 50 H ASP 9 H ASP 9 32.366 20.586 21.993 51 HA ASP 9 HA ASP 9 31.843 23.257 22.348 52 1HB ASP 9 2HB ASP 9 33.728 23.389 23.856 53 2HB ASP 9 3HB ASP 9 33.096 21.775 23.898 54 H GLY 10 H GLY 10 34.249 22.040 20.188 55 1HA GLY 10 2HA GLY 10 33.855 23.723 18.086 56 2HA GLY 10 3HA GLY 10 35.054 24.626 19.093 57 HA PRO 11 HA PRO 11 36.955 20.559 17.470 58 1HB PRO 11 2HB PRO 11 35.469 19.085 15.565 59 2HB PRO 11 3HB PRO 11 35.401 18.821 17.336 60 1HG PRO 11 2HG PRO 11 33.643 20.770 15.733 61 2HG PRO 11 3HG PRO 11 33.079 19.390 16.768 62 1HD PRO 11 2HD PRO 11 33.171 21.800 17.705 63 2HD PRO 11 3HD PRO 11 33.978 20.530 18.688 64 H SER 12 H SER 12 35.479 22.858 15.341 65 HA SER 12 HA SER 12 36.841 22.242 12.842 66 1HB SER 12 2HB SER 12 35.818 24.916 13.778 67 2HB SER 12 3HB SER 12 36.038 24.343 12.111 68 HG SER 12 HG SER 12 33.905 24.166 12.557 69 H VAL 13 H VAL 13 37.793 23.760 15.682 70 HA VAL 13 HA VAL 13 40.425 24.578 14.566 71 HB VAL 13 HB VAL 13 40.115 26.763 15.711 72 1HG1 VAL 13 1HG1 VAL 13 39.724 26.273 13.288 73 2HG1 VAL 13 2HG1 VAL 13 37.994 26.143 13.598 74 3HG1 VAL 13 3HG1 VAL 13 38.824 27.699 13.898 75 1HG2 VAL 13 1HG2 VAL 13 38.280 26.102 17.291 76 2HG2 VAL 13 2HG2 VAL 13 37.838 27.502 16.292 77 3HG2 VAL 13 3HG2 VAL 13 37.172 25.892 15.920 78 H HIS 14 H HIS 14 41.128 25.872 16.964 79 HA HIS 14 HA HIS 14 41.971 23.609 18.602 80 1HB HIS 14 2HB HIS 14 42.836 25.693 19.945 81 2HB HIS 14 3HB HIS 14 43.640 25.063 18.493 82 HD1 HIS 14 HD1 HIS 14 44.088 26.829 16.602 83 HD2 HIS 14 HD2 HIS 14 40.854 27.776 19.121 84 HE1 HIS 14 HE1 HIS 14 43.107 29.009 15.734 85 H GLY 15 H GLY 15 39.936 22.875 19.268 86 1HA GLY 15 2HA GLY 15 38.279 24.483 21.014 87 2HA GLY 15 3HA GLY 15 38.136 22.711 20.816 88 H ASN 16 H ASN 16 39.020 25.203 22.923 89 HA ASN 16 HA ASN 16 40.243 23.294 24.832 90 1HB ASN 16 2HB ASN 16 42.232 24.519 25.160 91 2HB ASN 16 3HB ASN 16 42.065 24.234 23.425 92 1HD2 ASN 16 1HD2 ASN 16 41.021 26.241 22.149 93 2HD2 ASN 16 2HD2 ASN 16 41.642 27.765 22.774 94 H THR 17 H THR 17 38.350 26.184 24.470 95 HA THR 17 HA THR 17 38.169 26.326 27.452 96 HB THR 17 HB THR 17 37.878 28.814 27.185 97 HG1 THR 17 HG1 THR 17 38.652 29.667 25.197 98 1HG2 THR 17 1HG2 THR 17 40.490 27.743 26.089 99 2HG2 THR 17 2HG2 THR 17 40.078 27.842 27.808 100 3HG2 THR 17 3HG2 THR 17 40.247 29.329 26.849 101 H LEU 18 H LEU 18 36.487 27.076 28.445 102 HA LEU 18 HA LEU 18 34.026 26.141 27.637 103 1HB LEU 18 2HB LEU 18 35.038 27.568 30.046 104 2HB LEU 18 3HB LEU 18 33.370 26.911 29.913 105 HG LEU 18 HG LEU 18 35.761 25.147 29.295 106 1HD1 LEU 18 1HD1 LEU 18 35.981 26.307 31.457 107 2HD1 LEU 18 2HD1 LEU 18 35.859 24.519 31.556 108 3HD1 LEU 18 3HD1 LEU 18 34.439 25.536 31.938 109 1HD2 LEU 18 1HD2 LEU 18 32.963 24.801 30.341 110 2HD2 LEU 18 2HD2 LEU 18 34.066 23.442 29.900 111 3HD2 LEU 18 3HD2 LEU 18 33.477 24.544 28.653 112 H SER 19 H SER 19 34.014 27.713 25.589 113 HA SER 19 HA SER 19 32.948 30.376 25.985 114 1HB SER 19 2HB SER 19 32.684 28.469 23.624 115 2HB SER 19 3HB SER 19 32.210 30.181 23.602 116 HG SER 19 HG SER 19 34.271 30.803 23.712 117 H GLY 20 H GLY 20 31.546 27.396 26.586 118 1HA GLY 20 2HA GLY 20 28.703 28.154 26.106 119 2HA GLY 20 3HA GLY 20 29.300 26.555 26.578 120 H THR 21 H THR 21 27.191 27.415 28.100 121 HA THR 21 HA THR 21 28.451 28.139 30.681 122 HB THR 21 HB THR 21 26.037 29.582 29.512 123 HG1 THR 21 HG1 THR 21 28.784 30.166 29.446 124 1HG2 THR 21 1HG2 THR 21 26.019 29.740 31.923 125 2HG2 THR 21 2HG2 THR 21 26.392 31.288 31.109 126 3HG2 THR 21 3HG2 THR 21 27.699 30.352 31.910 127 H VAL 22 H VAL 22 27.382 27.302 32.506 128 HA VAL 22 HA VAL 22 25.017 25.729 32.020 129 HB VAL 22 HB VAL 22 26.607 24.348 32.841 130 1HG1 VAL 22 1HG1 VAL 22 28.166 25.808 33.687 131 2HG1 VAL 22 2HG1 VAL 22 26.922 26.161 35.011 132 3HG1 VAL 22 3HG1 VAL 22 27.724 24.584 34.946 133 1HG2 VAL 22 1HG2 VAL 22 25.410 23.483 34.639 134 2HG2 VAL 22 2HG2 VAL 22 24.913 25.100 35.325 135 3HG2 VAL 22 3HG2 VAL 22 24.175 24.406 33.862 136 H TRP 23 H TRP 23 23.445 26.009 32.997 137 HA TRP 23 HA TRP 23 22.752 28.357 34.684 138 1HB TRP 23 2HB TRP 23 20.914 27.096 32.597 139 2HB TRP 23 3HB TRP 23 20.779 28.699 33.321 140 HD1 TRP 23 HD1 TRP 23 22.515 26.727 30.582 141 HE1 TRP 23 HE1 TRP 23 23.845 28.336 29.039 142 HE3 TRP 23 HE3 TRP 23 22.019 31.055 33.206 143 HZ2 TRP 23 HZ2 TRP 23 24.285 31.109 28.840 144 HZ3 TRP 23 HZ3 TRP 23 22.782 33.251 32.244 145 HH2 TRP 23 HH2 TRP 23 23.839 33.257 29.948 146 H VAL 24 H VAL 24 21.947 27.692 36.479 147 HA VAL 24 HA VAL 24 21.452 24.804 36.657 148 HB VAL 24 HB VAL 24 21.847 24.767 38.727 149 1HG1 VAL 24 1HG1 VAL 24 24.029 25.614 38.934 150 2HG1 VAL 24 2HG1 VAL 24 23.769 25.497 37.135 151 3HG1 VAL 24 3HG1 VAL 24 23.649 27.071 37.939 152 1HG2 VAL 24 1HG2 VAL 24 21.727 26.531 40.373 153 2HG2 VAL 24 2HG2 VAL 24 21.242 27.686 39.095 154 3HG2 VAL 24 3HG2 VAL 24 20.176 26.302 39.483 155 H GLY 25 H GLY 25 19.596 24.076 37.895 156 1HA GLY 25 2HA GLY 25 17.317 24.190 38.343 157 2HA GLY 25 3HA GLY 25 17.351 25.915 37.969 158 H SER 26 H SER 26 17.884 26.299 35.421 159 HA SER 26 HA SER 26 17.175 24.292 33.464 160 1HB SER 26 2HB SER 26 15.224 25.248 32.611 161 2HB SER 26 3HB SER 26 14.974 25.212 34.366 162 HG SER 26 HG SER 26 15.869 27.505 32.908 163 H CYS 27 H CYS 27 17.488 25.101 31.221 164 HA CYS 27 HA CYS 27 19.719 26.878 30.780 165 1HB CYS 27 2HB CYS 27 18.609 25.015 29.268 166 2HB CYS 27 3HB CYS 27 17.536 26.312 28.763 167 H ALA 28 H ALA 28 19.880 28.663 29.545 168 HA ALA 28 HA ALA 28 18.273 30.925 30.355 169 1HB ALA 28 1HB ALA 28 20.111 32.043 28.891 170 2HB ALA 28 2HB ALA 28 20.627 31.109 30.299 171 3HB ALA 28 3HB ALA 28 20.761 30.386 28.698 172 H SER 29 H SER 29 16.801 31.936 29.201 173 HA SER 29 HA SER 29 14.919 31.272 27.631 174 1HB SER 29 2HB SER 29 14.955 33.634 26.661 175 2HB SER 29 3HB SER 29 15.085 33.496 28.437 176 HG SER 29 HG SER 29 16.633 34.963 27.460 177 H GLY 30 H GLY 30 17.561 32.763 25.906 178 1HA GLY 30 2HA GLY 30 16.604 31.727 23.271 179 2HA GLY 30 3HA GLY 30 17.837 32.957 23.548 180 H TRP 31 H TRP 31 18.473 30.187 25.353 181 HA TRP 31 HA TRP 31 20.657 29.458 23.432 182 1HB TRP 31 2HB TRP 31 20.435 28.713 26.322 183 2HB TRP 31 3HB TRP 31 21.772 28.427 25.294 184 HD1 TRP 31 HD1 TRP 31 20.134 31.943 26.021 185 HE1 TRP 31 HE1 TRP 31 22.075 33.537 26.512 186 HE3 TRP 31 HE3 TRP 31 23.914 28.601 26.138 187 HZ2 TRP 31 HZ2 TRP 31 24.926 33.365 26.849 188 HZ3 TRP 31 HZ3 TRP 31 26.239 29.282 26.842 189 HH2 TRP 31 HH2 TRP 31 26.766 31.640 27.130 190 H HIS 32 H HIS 32 21.304 26.979 23.769 191 HA HIS 32 HA HIS 32 18.950 25.220 24.102 192 1HB HIS 32 2HB HIS 32 20.415 25.073 21.430 193 2HB HIS 32 3HB HIS 32 19.003 24.174 21.937 194 HD1 HIS 32 HD1 HIS 32 16.691 25.173 21.240 195 HD2 HIS 32 HD2 HIS 32 19.996 27.774 20.988 196 HE1 HIS 32 HE1 HIS 32 15.841 27.308 20.134 197 H LYS 33 H LYS 33 19.542 22.932 23.717 198 HA LYS 33 HA LYS 33 21.893 22.186 25.218 199 1HB LYS 33 2HB LYS 33 19.599 20.712 24.105 200 2HB LYS 33 3HB LYS 33 21.125 19.828 23.998 201 1HG LYS 33 2HG LYS 33 20.276 19.361 26.200 202 2HG LYS 33 3HG LYS 33 21.624 20.493 26.440 203 1HD LYS 33 2HD LYS 33 20.008 22.397 26.436 204 2HD LYS 33 3HD LYS 33 18.657 21.218 26.230 205 1HE LYS 33 2HE LYS 33 18.743 21.142 28.520 206 2HE LYS 33 3HE LYS 33 20.046 19.998 28.084 207 1HZ LYS 33 1HZ LYS 33 20.920 21.489 29.656 208 2HZ LYS 33 2HZ LYS 33 20.248 22.773 28.970 209 3HZ LYS 33 3HZ LYS 33 21.574 22.033 28.232 210 H CYS 34 H CYS 34 23.787 22.295 24.558 211 HA CYS 34 HA CYS 34 24.557 21.833 21.719 212 1HB CYS 34 2HB CYS 34 25.418 23.704 23.175 213 2HB CYS 34 3HB CYS 34 26.200 22.558 24.159 214 H ASN 35 H ASN 35 23.827 19.816 24.413 215 HA ASN 35 HA ASN 35 25.273 17.559 23.259 216 1HB ASN 35 2HB ASN 35 26.465 17.031 25.355 217 2HB ASN 35 3HB ASN 35 27.067 18.492 24.620 218 1HD2 ASN 35 1HD2 ASN 35 26.629 17.294 27.462 219 2HD2 ASN 35 2HD2 ASN 35 25.456 18.399 28.088 220 H ASP 36 H ASP 36 24.777 15.538 24.511 221 HA ASP 36 HA ASP 36 21.952 15.324 24.860 222 1HB ASP 36 2HB ASP 36 23.725 13.607 23.974 223 2HB ASP 36 3HB ASP 36 24.014 13.254 25.680 224 H GLU 37 H GLU 37 24.545 15.477 27.080 225 HA GLU 37 HA GLU 37 22.850 15.100 29.452 226 1HB GLU 37 2HB GLU 37 24.924 14.924 30.686 227 2HB GLU 37 3HB GLU 37 24.856 13.775 29.329 228 1HG GLU 37 2HG GLU 37 26.145 15.495 27.967 229 2HG GLU 37 3HG GLU 37 26.347 16.374 29.496 230 H TYR 38 H TYR 38 23.581 16.695 31.379 231 HA TYR 38 HA TYR 38 23.865 19.491 30.343 232 1HB TYR 38 2HB TYR 38 22.077 19.183 32.528 233 2HB TYR 38 3HB TYR 38 21.952 20.050 30.912 234 HD1 TYR 38 HD1 TYR 38 21.074 17.096 32.846 235 HD2 TYR 38 HD2 TYR 38 21.208 19.001 29.040 236 HE1 TYR 38 HE1 TYR 38 19.975 15.092 31.839 237 HE2 TYR 38 HE2 TYR 38 20.057 17.035 27.974 238 HH TYR 38 HH TYR 38 19.926 14.723 28.401 239 H ASN 39 H ASN 39 23.305 17.693 33.377 240 HA ASN 39 HA ASN 39 25.726 17.951 34.624 241 1HB ASN 39 2HB ASN 39 24.574 20.535 34.459 242 2HB ASN 39 3HB ASN 39 24.318 20.003 36.089 243 1HD2 ASN 39 1HD2 ASN 39 26.602 20.923 33.787 244 2HD2 ASN 39 2HD2 ASN 39 28.032 20.914 34.847 245 H ILE 40 H ILE 40 25.679 17.991 36.986 246 HA ILE 40 HA ILE 40 24.593 15.968 38.265 247 HB ILE 40 HB ILE 40 26.494 17.414 38.834 248 1HG1 ILE 40 2HG1 ILE 40 26.306 17.569 41.209 249 2HG1 ILE 40 3HG1 ILE 40 24.534 17.515 41.147 250 1HG2 ILE 40 1HG2 ILE 40 26.251 19.582 39.802 251 2HG2 ILE 40 2HG2 ILE 40 25.250 19.566 38.323 252 3HG2 ILE 40 3HG2 ILE 40 24.487 19.390 39.940 253 1HD1 ILE 40 1HD1 ILE 40 25.719 15.267 41.681 254 2HD1 ILE 40 2HD1 ILE 40 24.538 15.260 40.343 255 3HD1 ILE 40 3HD1 ILE 40 26.271 15.321 39.969 256 H ALA 41 H ALA 41 23.474 19.063 38.092 257 HA ALA 41 HA ALA 41 20.751 18.649 39.180 258 1HB ALA 41 1HB ALA 41 21.109 20.880 40.370 259 2HB ALA 41 2HB ALA 41 22.145 19.546 40.963 260 3HB ALA 41 3HB ALA 41 22.805 20.779 39.860 261 H TYR 42 H TYR 42 23.006 20.854 37.714 262 HA TYR 42 HA TYR 42 21.386 22.848 36.576 263 1HB TYR 42 2HB TYR 42 24.132 22.218 35.745 264 2HB TYR 42 3HB TYR 42 23.298 23.743 36.027 265 HD1 TYR 42 HD1 TYR 42 22.525 22.799 38.946 266 HD2 TYR 42 HD2 TYR 42 26.006 23.437 36.551 267 HE1 TYR 42 HE1 TYR 42 23.666 23.427 40.857 268 HE2 TYR 42 HE2 TYR 42 27.290 24.038 38.525 269 HH TYR 42 HH TYR 42 27.176 24.439 40.934 270 H GLU 43 H GLU 43 22.388 23.501 34.340 271 HA GLU 43 HA GLU 43 22.395 21.312 32.403 272 1HB GLU 43 2HB GLU 43 20.357 23.388 32.524 273 2HB GLU 43 3HB GLU 43 20.967 23.044 30.977 274 1HG GLU 43 2HG GLU 43 19.950 20.800 31.082 275 2HG GLU 43 3HG GLU 43 19.430 21.102 32.765 276 H CYS 44 H CYS 44 23.778 21.501 30.999 277 HA CYS 44 HA CYS 44 25.279 23.976 30.488 278 1HB CYS 44 2HB CYS 44 26.097 21.449 30.710 279 2HB CYS 44 3HB CYS 44 25.691 21.389 28.999 280 H CYS 45 H CYS 45 25.032 25.273 28.758 281 HA CYS 45 HA CYS 45 23.682 24.423 26.254 282 1HB CYS 45 2HB CYS 45 22.810 26.902 27.773 283 2HB CYS 45 3HB CYS 45 22.284 26.350 26.163 284 H LYS 46 H LYS 46 23.840 26.214 24.705 285 HA LYS 46 HA LYS 46 26.263 27.887 25.009 286 1HB LYS 46 2HB LYS 46 27.562 26.965 23.598 287 2HB LYS 46 3HB LYS 46 26.601 25.506 23.964 288 1HG LYS 46 2HG LYS 46 26.371 27.343 21.636 289 2HG LYS 46 3HG LYS 46 26.994 25.645 21.676 290 1HD LYS 46 2HD LYS 46 25.022 24.816 21.368 291 2HD LYS 46 3HD LYS 46 24.542 25.578 22.897 292 1HE LYS 46 2HE LYS 46 24.390 27.703 21.393 293 2HE LYS 46 3HE LYS 46 23.985 26.494 20.130 294 1HZ LYS 46 1HZ LYS 46 22.673 26.905 22.778 295 2HZ LYS 46 2HZ LYS 46 22.389 25.576 21.830 296 3HZ LYS 46 3HZ LYS 46 21.952 27.092 21.295 297 H GLN 47 H GLN 47 26.579 29.384 23.313 298 HA GLN 47 HA GLN 47 24.518 30.277 21.510 299 1HB GLN 47 2HB GLN 47 24.463 31.270 24.228 300 2HB GLN 47 3HB GLN 47 24.930 32.589 23.194 301 1HG GLN 47 2HG GLN 47 23.068 31.953 21.695 302 2HG GLN 47 3HG GLN 47 22.453 30.883 22.953 303 1HE2 GLN 47 1HE2 GLN 47 20.473 32.287 22.874 304 2HE2 GLN 47 2HE2 GLN 47 20.629 33.748 23.868 Start of MODEL 16 1 1H GLY 1 H GLY 1 25.824 32.615 36.430 2 1HA GLY 1 2HA GLY 1 25.321 30.295 34.657 3 2HA GLY 1 3HA GLY 1 26.023 31.818 34.120 4 H VAL 2 H VAL 2 27.235 29.247 34.001 5 HA VAL 2 HA VAL 2 29.729 29.699 35.609 6 HB VAL 2 HB VAL 2 28.370 27.222 35.009 7 1HG1 VAL 2 1HG1 VAL 2 30.626 26.572 35.299 8 2HG1 VAL 2 2HG1 VAL 2 30.685 27.438 36.869 9 3HG1 VAL 2 3HG1 VAL 2 29.686 25.966 36.612 10 1HG2 VAL 2 1HG2 VAL 2 27.747 26.770 37.199 11 2HG2 VAL 2 2HG2 VAL 2 28.289 28.477 37.615 12 3HG2 VAL 2 3HG2 VAL 2 26.923 28.132 36.469 13 HA HYP 3 HA HYP 3 31.223 28.396 31.558 14 1HB HYP 3 3HB HYP 3 33.684 28.456 31.667 15 2HB HYP 3 2HB HYP 3 33.675 27.373 33.070 16 1HD HYP 3 3HD HYP 3 31.662 29.922 35.007 17 2HD HYP 3 2HD HYP 3 32.257 28.270 35.275 18 HOD HYP 3 HOD HYP 3 34.040 30.926 32.905 19 HG HYP 3 HG HYP 3 34.188 29.286 34.243 20 H CYS 4 H CYS 4 30.486 26.686 30.459 21 HA CYS 4 HA CYS 4 31.472 24.061 31.258 22 1HB CYS 4 2HB CYS 4 29.595 24.391 32.723 23 2HB CYS 4 3HB CYS 4 28.592 24.683 31.265 24 H ARG 5 H ARG 5 32.154 23.130 29.419 25 HA ARG 5 HA ARG 5 31.217 23.715 26.804 26 1HB ARG 5 2HB ARG 5 33.123 21.708 28.052 27 2HB ARG 5 3HB ARG 5 32.719 21.527 26.325 28 1HG ARG 5 2HG ARG 5 33.351 23.769 25.890 29 2HG ARG 5 3HG ARG 5 34.120 23.855 27.417 30 1HD ARG 5 2HD ARG 5 34.817 21.897 25.367 31 2HD ARG 5 3HD ARG 5 35.760 23.352 25.920 32 HE ARG 5 HE ARG 5 35.163 20.980 27.593 33 1HH1 ARG 5 1HH1 ARG 5 37.886 22.678 26.056 34 2HH1 ARG 5 2HH1 ARG 5 38.894 22.180 27.375 35 1HH2 ARG 5 1HH2 ARG 5 36.261 21.006 29.227 36 2HH2 ARG 5 2HH2 ARG 5 38.028 20.841 29.110 37 H CYS 6 H CYS 6 31.222 21.726 25.510 38 HA CYS 6 HA CYS 6 29.121 19.753 26.065 39 1HB CYS 6 2HB CYS 6 27.957 20.463 23.973 40 2HB CYS 6 3HB CYS 6 27.916 21.621 25.325 41 H ASP 7 H ASP 7 28.980 18.282 24.071 42 HA ASP 7 HA ASP 7 31.603 17.071 23.629 43 1HB ASP 7 2HB ASP 7 29.532 15.733 23.810 44 2HB ASP 7 3HB ASP 7 28.890 16.492 22.359 45 H SER 8 H SER 8 29.376 18.926 21.774 46 HA SER 8 HA SER 8 31.072 19.291 19.405 47 1HB SER 8 2HB SER 8 28.651 18.728 19.271 48 2HB SER 8 3HB SER 8 28.259 20.245 20.100 49 HG SER 8 HG SER 8 29.450 21.267 18.347 50 H ASP 9 H ASP 9 31.837 20.621 22.149 51 HA ASP 9 HA ASP 9 31.159 23.307 22.083 52 1HB ASP 9 2HB ASP 9 32.175 22.747 24.179 53 2HB ASP 9 3HB ASP 9 33.499 21.899 23.382 54 H GLY 10 H GLY 10 33.192 21.789 19.825 55 1HA GLY 10 2HA GLY 10 33.295 23.589 17.917 56 2HA GLY 10 3HA GLY 10 34.578 24.263 18.967 57 HA PRO 11 HA PRO 11 35.887 20.042 17.223 58 1HB PRO 11 2HB PRO 11 34.499 19.187 14.888 59 2HB PRO 11 3HB PRO 11 34.154 18.662 16.567 60 1HG PRO 11 2HG PRO 11 32.941 21.087 15.123 61 2HG PRO 11 3HG PRO 11 32.049 19.725 15.923 62 1HD PRO 11 2HD PRO 11 32.419 21.986 17.110 63 2HD PRO 11 3HD PRO 11 32.830 20.501 18.037 64 H SER 12 H SER 12 35.280 22.854 15.249 65 HA SER 12 HA SER 12 37.251 22.146 13.135 66 1HB SER 12 2HB SER 12 35.664 24.662 13.626 67 2HB SER 12 3HB SER 12 36.707 24.332 12.230 68 HG SER 12 HG SER 12 35.364 22.494 11.793 69 H VAL 13 H VAL 13 37.367 23.713 16.218 70 HA VAL 13 HA VAL 13 40.211 24.324 15.686 71 HB VAL 13 HB VAL 13 38.885 26.652 16.883 72 1HG1 VAL 13 1HG1 VAL 13 40.441 26.229 14.312 73 2HG1 VAL 13 2HG1 VAL 13 40.184 27.787 15.154 74 3HG1 VAL 13 3HG1 VAL 13 41.161 26.503 15.914 75 1HG2 VAL 13 1HG2 VAL 13 36.910 25.956 15.437 76 2HG2 VAL 13 2HG2 VAL 13 37.638 27.524 14.979 77 3HG2 VAL 13 3HG2 VAL 13 37.944 26.043 14.029 78 H HIS 14 H HIS 14 41.434 24.243 17.459 79 HA HIS 14 HA HIS 14 40.897 22.833 19.672 80 1HB HIS 14 2HB HIS 14 42.693 24.258 20.829 81 2HB HIS 14 3HB HIS 14 43.104 23.244 19.442 82 HD1 HIS 14 HD1 HIS 14 42.335 26.985 20.117 83 HD2 HIS 14 HD2 HIS 14 44.174 24.439 17.327 84 HE1 HIS 14 HE1 HIS 14 43.529 28.509 18.437 85 H GLY 15 H GLY 15 39.233 22.920 20.936 86 1HA GLY 15 2HA GLY 15 38.006 25.263 21.927 87 2HA GLY 15 3HA GLY 15 37.659 23.587 22.419 88 H ASN 16 H ASN 16 40.001 26.165 22.788 89 HA ASN 16 HA ASN 16 41.414 25.347 25.077 90 1HB ASN 16 2HB ASN 16 42.203 27.732 24.959 91 2HB ASN 16 3HB ASN 16 42.303 26.898 23.412 92 1HD2 ASN 16 1HD2 ASN 16 40.690 27.544 21.639 93 2HD2 ASN 16 2HD2 ASN 16 39.965 29.134 21.905 94 H THR 17 H THR 17 38.474 27.276 24.694 95 HA THR 17 HA THR 17 38.001 27.240 27.616 96 HB THR 17 HB THR 17 37.243 29.641 27.408 97 HG1 THR 17 HG1 THR 17 38.724 29.809 25.038 98 1HG2 THR 17 1HG2 THR 17 39.517 29.143 28.224 99 2HG2 THR 17 2HG2 THR 17 39.492 30.655 27.274 100 3HG2 THR 17 3HG2 THR 17 40.127 29.152 26.556 101 H LEU 18 H LEU 18 36.073 27.592 28.308 102 HA LEU 18 HA LEU 18 34.037 26.096 27.328 103 1HB LEU 18 2HB LEU 18 34.419 27.946 29.630 104 2HB LEU 18 3HB LEU 18 32.957 26.919 29.465 105 HG LEU 18 HG LEU 18 35.634 25.574 28.980 106 1HD1 LEU 18 1HD1 LEU 18 35.817 27.104 30.937 107 2HD1 LEU 18 2HD1 LEU 18 36.204 25.362 31.170 108 3HD1 LEU 18 3HD1 LEU 18 34.652 26.014 31.747 109 1HD2 LEU 18 1HD2 LEU 18 33.211 24.801 28.820 110 2HD2 LEU 18 2HD2 LEU 18 33.278 24.657 30.579 111 3HD2 LEU 18 3HD2 LEU 18 34.452 23.715 29.471 112 H SER 19 H SER 19 33.483 26.927 25.170 113 HA SER 19 HA SER 19 32.175 29.537 24.900 114 1HB SER 19 2HB SER 19 31.954 27.186 22.983 115 2HB SER 19 3HB SER 19 31.700 28.905 22.645 116 HG SER 19 HG SER 19 33.975 29.161 23.294 117 H GLY 20 H GLY 20 31.245 26.988 26.549 118 1HA GLY 20 2HA GLY 20 28.316 27.203 26.092 119 2HA GLY 20 3HA GLY 20 29.111 25.710 26.625 120 H THR 21 H THR 21 27.119 26.938 28.170 121 HA THR 21 HA THR 21 28.598 27.745 30.598 122 HB THR 21 HB THR 21 26.227 29.261 29.410 123 HG1 THR 21 HG1 THR 21 28.974 29.563 29.181 124 1HG2 THR 21 1HG2 THR 21 27.949 30.080 31.733 125 2HG2 THR 21 2HG2 THR 21 26.269 29.459 31.840 126 3HG2 THR 21 3HG2 THR 21 26.620 30.985 30.960 127 H VAL 22 H VAL 22 27.543 27.016 32.530 128 HA VAL 22 HA VAL 22 25.150 25.511 32.120 129 HB VAL 22 HB VAL 22 26.606 24.144 32.954 130 1HG1 VAL 22 1HG1 VAL 22 28.241 25.618 33.816 131 2HG1 VAL 22 2HG1 VAL 22 27.066 25.736 35.273 132 3HG1 VAL 22 3HG1 VAL 22 27.836 24.200 34.857 133 1HG2 VAL 22 1HG2 VAL 22 24.879 25.025 35.331 134 2HG2 VAL 22 2HG2 VAL 22 24.244 24.173 33.892 135 3HG2 VAL 22 3HG2 VAL 22 25.444 23.365 34.865 136 H TRP 23 H TRP 23 23.581 25.832 32.931 137 HA TRP 23 HA TRP 23 22.796 28.262 34.463 138 1HB TRP 23 2HB TRP 23 21.094 26.902 32.347 139 2HB TRP 23 3HB TRP 23 20.876 28.518 33.042 140 HD1 TRP 23 HD1 TRP 23 22.733 26.602 30.373 141 HE1 TRP 23 HE1 TRP 23 24.076 28.265 28.872 142 HE3 TRP 23 HE3 TRP 23 22.292 30.869 33.141 143 HZ2 TRP 23 HZ2 TRP 23 24.621 31.025 28.810 144 HZ3 TRP 23 HZ3 TRP 23 23.155 33.055 32.284 145 HH2 TRP 23 HH2 TRP 23 24.250 33.118 30.008 146 H VAL 24 H VAL 24 22.104 27.666 36.282 147 HA VAL 24 HA VAL 24 21.421 24.846 36.706 148 HB VAL 24 HB VAL 24 21.938 24.991 38.783 149 1HG1 VAL 24 1HG1 VAL 24 23.702 27.203 37.647 150 2HG1 VAL 24 2HG1 VAL 24 24.185 25.924 38.781 151 3HG1 VAL 24 3HG1 VAL 24 23.772 25.523 37.072 152 1HG2 VAL 24 1HG2 VAL 24 21.890 26.949 40.234 153 2HG2 VAL 24 2HG2 VAL 24 21.323 27.937 38.853 154 3HG2 VAL 24 3HG2 VAL 24 20.307 26.602 39.463 155 H GLY 25 H GLY 25 19.508 24.351 37.945 156 1HA GLY 25 2HA GLY 25 17.263 24.675 38.427 157 2HA GLY 25 3HA GLY 25 17.455 26.378 38.055 158 H SER 26 H SER 26 18.189 26.428 35.448 159 HA SER 26 HA SER 26 17.162 24.687 33.479 160 1HB SER 26 2HB SER 26 14.920 25.474 34.195 161 2HB SER 26 3HB SER 26 15.426 27.155 33.849 162 HG SER 26 HG SER 26 14.395 26.294 32.047 163 H CYS 27 H CYS 27 17.339 25.613 31.352 164 HA CYS 27 HA CYS 27 19.741 27.148 30.801 165 1HB CYS 27 2HB CYS 27 18.532 25.277 29.419 166 2HB CYS 27 3HB CYS 27 17.577 26.617 28.790 167 H ALA 28 H ALA 28 20.000 28.859 29.412 168 HA ALA 28 HA ALA 28 18.652 31.276 30.276 169 1HB ALA 28 1HB ALA 28 20.494 32.201 28.707 170 2HB ALA 28 2HB ALA 28 20.996 31.234 30.102 171 3HB ALA 28 3HB ALA 28 20.984 30.482 28.517 172 H SER 29 H SER 29 17.466 32.637 29.022 173 HA SER 29 HA SER 29 15.387 31.911 27.609 174 1HB SER 29 2HB SER 29 14.977 34.093 27.050 175 2HB SER 29 3HB SER 29 16.059 34.170 28.465 176 HG SER 29 HG SER 29 17.776 34.489 26.936 177 H GLY 30 H GLY 30 18.211 32.894 25.717 178 1HA GLY 30 2HA GLY 30 16.909 31.810 23.231 179 2HA GLY 30 3HA GLY 30 18.182 33.028 23.316 180 H TRP 31 H TRP 31 18.697 30.371 25.329 181 HA TRP 31 HA TRP 31 20.890 29.436 23.486 182 1HB TRP 31 2HB TRP 31 20.576 28.817 26.399 183 2HB TRP 31 3HB TRP 31 21.907 28.385 25.404 184 HD1 TRP 31 HD1 TRP 31 20.519 32.042 26.000 185 HE1 TRP 31 HE1 TRP 31 22.557 33.494 26.438 186 HE3 TRP 31 HE3 TRP 31 24.081 28.431 26.259 187 HZ2 TRP 31 HZ2 TRP 31 25.380 33.169 26.716 188 HZ3 TRP 31 HZ3 TRP 31 26.433 29.002 26.888 189 HH2 TRP 31 HH2 TRP 31 27.124 31.349 27.036 190 H HIS 32 H HIS 32 21.424 26.988 23.863 191 HA HIS 32 HA HIS 32 19.031 25.306 24.268 192 1HB HIS 32 2HB HIS 32 20.439 25.006 21.590 193 2HB HIS 32 3HB HIS 32 18.964 24.252 22.139 194 HD1 HIS 32 HD1 HIS 32 16.739 25.482 21.332 195 HD2 HIS 32 HD2 HIS 32 20.273 27.743 21.089 196 HE1 HIS 32 HE1 HIS 32 16.154 27.597 20.044 197 H LYS 33 H LYS 33 19.593 22.985 23.993 198 HA LYS 33 HA LYS 33 21.922 22.223 25.492 199 1HB LYS 33 2HB LYS 33 19.748 20.748 24.160 200 2HB LYS 33 3HB LYS 33 21.300 19.920 24.144 201 1HG LYS 33 2HG LYS 33 20.297 19.355 26.240 202 2HG LYS 33 3HG LYS 33 21.593 20.492 26.664 203 1HD LYS 33 2HD LYS 33 20.101 22.349 26.758 204 2HD LYS 33 3HD LYS 33 18.723 21.347 26.145 205 1HE LYS 33 2HE LYS 33 18.506 21.033 28.485 206 2HE LYS 33 3HE LYS 33 19.526 19.673 27.900 207 1HZ LYS 33 1HZ LYS 33 20.312 20.597 29.828 208 2HZ LYS 33 2HZ LYS 33 20.554 22.081 29.164 209 3HZ LYS 33 3HZ LYS 33 21.446 20.780 28.619 210 H CYS 34 H CYS 34 23.908 22.040 24.841 211 HA CYS 34 HA CYS 34 24.601 21.810 21.923 212 1HB CYS 34 2HB CYS 34 25.616 23.553 23.447 213 2HB CYS 34 3HB CYS 34 26.310 22.279 24.370 214 H ASN 35 H ASN 35 23.775 19.687 24.485 215 HA ASN 35 HA ASN 35 25.188 17.436 23.266 216 1HB ASN 35 2HB ASN 35 26.268 16.820 25.406 217 2HB ASN 35 3HB ASN 35 27.000 18.234 24.665 218 1HD2 ASN 35 1HD2 ASN 35 26.561 17.164 27.575 219 2HD2 ASN 35 2HD2 ASN 35 25.466 18.376 28.180 220 H ASP 36 H ASP 36 24.545 15.403 24.475 221 HA ASP 36 HA ASP 36 21.705 15.631 24.968 222 1HB ASP 36 2HB ASP 36 23.216 13.671 23.814 223 2HB ASP 36 3HB ASP 36 22.982 13.000 25.441 224 H GLU 37 H GLU 37 24.306 15.661 27.019 225 HA GLU 37 HA GLU 37 22.644 15.005 29.364 226 1HB GLU 37 2HB GLU 37 24.636 14.706 30.602 227 2HB GLU 37 3HB GLU 37 24.665 13.684 29.131 228 1HG GLU 37 2HG GLU 37 26.078 15.269 27.996 229 2HG GLU 37 3HG GLU 37 26.003 16.338 29.411 230 H TYR 38 H TYR 38 23.314 16.580 31.354 231 HA TYR 38 HA TYR 38 23.639 19.338 30.301 232 1HB TYR 38 2HB TYR 38 21.836 19.004 32.560 233 2HB TYR 38 3HB TYR 38 21.563 19.952 31.066 234 HD1 TYR 38 HD1 TYR 38 20.988 18.696 29.021 235 HD2 TYR 38 HD2 TYR 38 20.887 16.925 32.906 236 HE1 TYR 38 HE1 TYR 38 19.959 16.630 28.027 237 HE2 TYR 38 HE2 TYR 38 19.937 14.824 31.960 238 HH TYR 38 HH TYR 38 19.905 14.362 28.484 239 H ASN 39 H ASN 39 23.104 17.622 33.364 240 HA ASN 39 HA ASN 39 25.570 17.857 34.571 241 1HB ASN 39 2HB ASN 39 24.556 20.448 34.363 242 2HB ASN 39 3HB ASN 39 24.133 19.950 35.989 243 1HD2 ASN 39 1HD2 ASN 39 26.601 20.862 33.900 244 2HD2 ASN 39 2HD2 ASN 39 27.947 20.731 35.049 245 H ILE 40 H ILE 40 25.374 18.069 37.033 246 HA ILE 40 HA ILE 40 24.355 15.896 38.249 247 HB ILE 40 HB ILE 40 26.198 17.431 38.874 248 1HG1 ILE 40 2HG1 ILE 40 25.926 17.583 41.243 249 2HG1 ILE 40 3HG1 ILE 40 24.163 17.471 41.128 250 1HG2 ILE 40 1HG2 ILE 40 25.809 19.588 39.839 251 2HG2 ILE 40 2HG2 ILE 40 24.897 19.515 38.296 252 3HG2 ILE 40 3HG2 ILE 40 24.050 19.313 39.869 253 1HD1 ILE 40 1HD1 ILE 40 25.998 15.335 39.991 254 2HD1 ILE 40 2HD1 ILE 40 25.405 15.259 41.690 255 3HD1 ILE 40 3HD1 ILE 40 24.262 15.223 40.315 256 H ALA 41 H ALA 41 23.125 18.948 37.894 257 HA ALA 41 HA ALA 41 20.372 18.461 38.797 258 1HB ALA 41 1HB ALA 41 22.312 20.553 39.808 259 2HB ALA 41 2HB ALA 41 20.564 20.654 40.106 260 3HB ALA 41 3HB ALA 41 21.510 19.291 40.770 261 H TYR 42 H TYR 42 22.717 20.814 37.758 262 HA TYR 42 HA TYR 42 21.287 22.869 36.529 263 1HB TYR 42 2HB TYR 42 24.074 22.136 35.979 264 2HB TYR 42 3HB TYR 42 23.241 23.677 36.098 265 HD1 TYR 42 HD2 TYR 42 22.162 22.587 39.033 266 HD2 TYR 42 HD1 TYR 42 25.667 23.718 36.895 267 HE1 TYR 42 HE2 TYR 42 23.229 22.952 41.118 268 HE2 TYR 42 HE1 TYR 42 26.565 24.689 38.901 269 HH TYR 42 HH TYR 42 25.073 24.002 42.174 270 H GLU 43 H GLU 43 22.348 23.506 34.313 271 HA GLU 43 HA GLU 43 22.549 21.195 32.416 272 1HB GLU 43 2HB GLU 43 20.867 23.541 31.731 273 2HB GLU 43 3HB GLU 43 21.411 22.336 30.756 274 1HG GLU 43 2HG GLU 43 19.194 22.385 32.722 275 2HG GLU 43 3HG GLU 43 19.260 22.185 30.910 276 H CYS 44 H CYS 44 24.173 21.387 31.044 277 HA CYS 44 HA CYS 44 25.463 23.981 30.558 278 1HB CYS 44 2HB CYS 44 26.117 21.125 29.783 279 2HB CYS 44 3HB CYS 44 27.132 22.530 29.385 280 H CYS 45 H CYS 45 24.974 25.204 28.912 281 HA CYS 45 HA CYS 45 23.681 24.193 26.408 282 1HB CYS 45 2HB CYS 45 22.894 26.771 27.792 283 2HB CYS 45 3HB CYS 45 22.304 26.139 26.249 284 H LYS 46 H LYS 46 23.836 26.018 24.777 285 HA LYS 46 HA LYS 46 26.283 27.662 25.105 286 1HB LYS 46 2HB LYS 46 27.598 26.809 23.687 287 2HB LYS 46 3HB LYS 46 26.719 25.335 24.159 288 1HG LYS 46 2HG LYS 46 26.479 27.002 21.709 289 2HG LYS 46 3HG LYS 46 27.076 25.306 21.872 290 1HD LYS 46 2HD LYS 46 25.084 24.532 21.463 291 2HD LYS 46 3HD LYS 46 24.625 25.283 23.008 292 1HE LYS 46 2HE LYS 46 24.540 27.440 21.468 293 2HE LYS 46 3HE LYS 46 24.034 26.221 20.251 294 1HZ LYS 46 1HZ LYS 46 22.003 26.505 21.289 295 2HZ LYS 46 2HZ LYS 46 22.693 27.186 22.649 296 3HZ LYS 46 3HZ LYS 46 22.647 25.573 22.532 297 H GLN 47 H GLN 47 26.753 29.026 23.313 298 HA GLN 47 HA GLN 47 24.774 30.017 21.454 299 1HB GLN 47 2HB GLN 47 24.976 31.249 24.137 300 2HB GLN 47 3HB GLN 47 25.195 32.408 22.834 301 1HG GLN 47 2HG GLN 47 23.187 31.536 21.759 302 2HG GLN 47 3HG GLN 47 22.790 30.685 23.252 303 1HE2 GLN 47 1HE2 GLN 47 20.794 32.256 22.759 304 2HE2 GLN 47 2HE2 GLN 47 21.046 33.728 23.736 Start of MODEL 17 1 1H GLY 1 H GLY 1 27.299 33.514 34.552 2 1HA GLY 1 2HA GLY 1 26.185 31.366 34.473 3 2HA GLY 1 3HA GLY 1 26.692 31.220 32.789 4 H VAL 2 H VAL 2 27.452 29.210 34.127 5 HA VAL 2 HA VAL 2 30.070 29.587 35.478 6 HB VAL 2 HB VAL 2 28.479 27.244 34.851 7 1HG1 VAL 2 1HG1 VAL 2 29.540 25.993 36.722 8 2HG1 VAL 2 2HG1 VAL 2 30.655 26.388 35.458 9 3HG1 VAL 2 3HG1 VAL 2 30.641 27.381 36.946 10 1HG2 VAL 2 1HG2 VAL 2 27.550 26.999 36.904 11 2HG2 VAL 2 2HG2 VAL 2 28.350 28.573 37.421 12 3HG2 VAL 2 3HG2 VAL 2 27.064 28.514 36.144 13 HA HYP 3 HA HYP 3 31.791 27.925 31.645 14 1HB HYP 3 3HB HYP 3 34.196 27.803 31.995 15 2HB HYP 3 2HB HYP 3 33.996 26.758 33.407 16 1HD HYP 3 3HD HYP 3 32.056 29.595 35.067 17 2HD HYP 3 2HD HYP 3 32.435 27.908 35.470 18 HOD HYP 3 HOD HYP 3 34.016 30.676 33.946 19 HG HYP 3 HG HYP 3 34.559 28.635 34.600 20 H CYS 4 H CYS 4 30.997 26.238 30.580 21 HA CYS 4 HA CYS 4 31.693 23.599 31.554 22 1HB CYS 4 2HB CYS 4 29.767 24.152 32.926 23 2HB CYS 4 3HB CYS 4 28.859 24.423 31.405 24 H ARG 5 H ARG 5 32.405 22.616 29.768 25 HA ARG 5 HA ARG 5 31.500 23.133 27.156 26 1HB ARG 5 2HB ARG 5 33.445 21.209 28.432 27 2HB ARG 5 3HB ARG 5 32.991 20.916 26.732 28 1HG ARG 5 2HG ARG 5 33.595 23.006 26.015 29 2HG ARG 5 3HG ARG 5 34.013 23.555 27.602 30 1HD ARG 5 2HD ARG 5 35.264 21.154 26.335 31 2HD ARG 5 3HD ARG 5 35.960 22.797 26.112 32 HE ARG 5 HE ARG 5 35.913 22.261 28.831 33 1HH1 ARG 5 1HH1 ARG 5 37.392 20.848 25.908 34 2HH1 ARG 5 2HH1 ARG 5 38.539 19.948 26.856 35 1HH2 ARG 5 1HH2 ARG 5 37.151 20.969 29.845 36 2HH2 ARG 5 2HH2 ARG 5 38.423 19.992 29.096 37 H CYS 6 H CYS 6 31.491 21.095 25.884 38 HA CYS 6 HA CYS 6 29.251 19.232 26.449 39 1HB CYS 6 2HB CYS 6 28.449 19.785 24.084 40 2HB CYS 6 3HB CYS 6 28.267 20.999 25.393 41 H ASP 7 H ASP 7 29.112 17.629 24.442 42 HA ASP 7 HA ASP 7 31.457 16.003 24.363 43 1HB ASP 7 2HB ASP 7 29.233 15.098 23.963 44 2HB ASP 7 3HB ASP 7 28.996 16.157 22.571 45 H SER 8 H SER 8 30.083 18.163 21.927 46 HA SER 8 HA SER 8 32.075 17.803 19.931 47 1HB SER 8 2HB SER 8 30.836 19.552 18.806 48 2HB SER 8 3HB SER 8 29.684 18.534 19.706 49 HG SER 8 HG SER 8 30.694 20.986 20.694 50 H ASP 9 H ASP 9 31.883 19.975 22.546 51 HA ASP 9 HA ASP 9 32.612 21.830 23.279 52 1HB ASP 9 2HB ASP 9 34.266 21.534 24.601 53 2HB ASP 9 3HB ASP 9 34.084 19.874 24.103 54 H GLY 10 H GLY 10 33.558 21.572 20.207 55 1HA GLY 10 2HA GLY 10 33.489 24.302 19.720 56 2HA GLY 10 3HA GLY 10 35.225 23.794 19.699 57 HA PRO 11 HA PRO 11 32.775 21.602 16.260 58 1HB PRO 11 2HB PRO 11 30.145 22.489 15.787 59 2HB PRO 11 3HB PRO 11 30.565 21.159 16.912 60 1HG PRO 11 2HG PRO 11 30.316 24.136 17.629 61 2HG PRO 11 3HG PRO 11 29.460 22.739 18.408 62 1HD PRO 11 2HD PRO 11 31.589 23.802 19.430 63 2HD PRO 11 3HD PRO 11 31.484 22.021 19.329 64 H SER 12 H SER 12 32.273 25.022 16.760 65 HA SER 12 HA SER 12 32.966 25.631 13.926 66 1HB SER 12 2HB SER 12 31.003 27.197 15.609 67 2HB SER 12 3HB SER 12 31.349 27.443 13.892 68 HG SER 12 HG SER 12 29.447 26.298 14.068 69 H VAL 13 H VAL 13 34.309 25.764 16.663 70 HA VAL 13 HA VAL 13 36.020 28.151 16.187 71 HB VAL 13 HB VAL 13 34.164 29.157 17.159 72 1HG1 VAL 13 1HG1 VAL 13 34.018 26.896 19.161 73 2HG1 VAL 13 2HG1 VAL 13 33.093 28.415 19.270 74 3HG1 VAL 13 3HG1 VAL 13 32.838 27.309 17.895 75 1HG2 VAL 13 1HG2 VAL 13 36.404 29.647 17.950 76 2HG2 VAL 13 2HG2 VAL 13 35.106 30.114 19.080 77 3HG2 VAL 13 3HG2 VAL 13 36.097 28.682 19.420 78 H HIS 14 H HIS 14 37.858 28.073 17.443 79 HA HIS 14 HA HIS 14 39.102 25.595 17.932 80 1HB HIS 14 2HB HIS 14 40.670 27.298 19.268 81 2HB HIS 14 3HB HIS 14 40.656 27.155 17.513 82 HD1 HIS 14 HD1 HIS 14 39.457 29.204 16.130 83 HD2 HIS 14 HD2 HIS 14 39.425 29.521 20.324 84 HE1 HIS 14 HE1 HIS 14 38.782 31.606 16.658 85 H GLY 15 H GLY 15 38.496 24.182 19.430 86 1HA GLY 15 2HA GLY 15 37.498 24.908 22.018 87 2HA GLY 15 3HA GLY 15 37.887 23.275 21.452 88 H ASN 16 H ASN 16 39.070 26.136 23.042 89 HA ASN 16 HA ASN 16 41.524 24.679 24.009 90 1HB ASN 16 2HB ASN 16 42.476 26.933 24.451 91 2HB ASN 16 3HB ASN 16 42.138 26.605 22.758 92 1HD2 ASN 16 1HD2 ASN 16 41.922 28.777 22.034 93 2HD2 ASN 16 2HD2 ASN 16 40.631 29.787 22.691 94 H THR 17 H THR 17 38.776 26.564 25.035 95 HA THR 17 HA THR 17 38.826 25.548 27.835 96 HB THR 17 HB THR 17 38.436 27.875 28.641 97 HG1 THR 17 HG1 THR 17 39.049 28.689 25.996 98 1HG2 THR 17 1HG2 THR 17 40.597 28.865 28.367 99 2HG2 THR 17 2HG2 THR 17 40.937 27.868 26.925 100 3HG2 THR 17 3HG2 THR 17 40.787 27.101 28.531 101 H LEU 18 H LEU 18 36.898 26.649 28.952 102 HA LEU 18 HA LEU 18 34.664 25.411 28.013 103 1HB LEU 18 2HB LEU 18 35.345 27.091 30.353 104 2HB LEU 18 3HB LEU 18 33.698 26.366 30.171 105 HG LEU 18 HG LEU 18 36.176 24.652 29.735 106 1HD1 LEU 18 1HD1 LEU 18 36.301 24.140 32.014 107 2HD1 LEU 18 2HD1 LEU 18 34.833 25.088 32.363 108 3HD1 LEU 18 3HD1 LEU 18 36.310 25.928 31.843 109 1HD2 LEU 18 1HD2 LEU 18 33.522 24.325 29.365 110 2HD2 LEU 18 2HD2 LEU 18 33.627 23.788 31.009 111 3HD2 LEU 18 3HD2 LEU 18 34.636 22.999 29.659 112 H SER 19 H SER 19 34.544 26.459 25.887 113 HA SER 19 HA SER 19 33.366 29.048 25.457 114 1HB SER 19 2HB SER 19 34.362 27.952 23.581 115 2HB SER 19 3HB SER 19 33.474 26.450 23.878 116 HG SER 19 HG SER 19 32.272 28.884 22.994 117 H GLY 20 H GLY 20 32.070 25.966 26.403 118 1HA GLY 20 2HA GLY 20 29.232 26.660 26.048 119 2HA GLY 20 3HA GLY 20 29.877 25.150 26.738 120 H THR 21 H THR 21 27.784 26.749 27.924 121 HA THR 21 HA THR 21 29.081 27.555 30.463 122 HB THR 21 HB THR 21 26.803 28.999 29.050 123 HG1 THR 21 HG1 THR 21 28.347 30.602 28.674 124 1HG2 THR 21 1HG2 THR 21 28.492 29.898 31.369 125 2HG2 THR 21 2HG2 THR 21 26.787 29.366 31.434 126 3HG2 THR 21 3HG2 THR 21 27.239 30.854 30.519 127 H VAL 22 H VAL 22 27.947 26.888 32.304 128 HA VAL 22 HA VAL 22 25.446 25.538 31.873 129 HB VAL 22 HB VAL 22 26.812 24.137 32.798 130 1HG1 VAL 22 1HG1 VAL 22 27.179 25.728 35.145 131 2HG1 VAL 22 2HG1 VAL 22 27.909 24.152 34.795 132 3HG1 VAL 22 3HG1 VAL 22 28.437 25.549 33.785 133 1HG2 VAL 22 1HG2 VAL 22 24.404 24.311 33.531 134 2HG2 VAL 22 2HG2 VAL 22 25.458 23.411 34.592 135 3HG2 VAL 22 3HG2 VAL 22 24.970 25.104 35.030 136 H TRP 23 H TRP 23 23.878 26.012 32.627 137 HA TRP 23 HA TRP 23 23.224 28.510 34.095 138 1HB TRP 23 2HB TRP 23 21.431 27.172 32.045 139 2HB TRP 23 3HB TRP 23 21.327 28.832 32.641 140 HD1 TRP 23 HD1 TRP 23 23.002 26.644 30.083 141 HE1 TRP 23 HE1 TRP 23 24.516 28.059 28.509 142 HE3 TRP 23 HE3 TRP 23 22.860 31.103 32.529 143 HZ2 TRP 23 HZ2 TRP 23 25.236 30.763 28.238 144 HZ3 TRP 23 HZ3 TRP 23 23.834 33.183 31.506 145 HH2 TRP 23 HH2 TRP 23 24.967 32.995 29.258 146 H VAL 24 H VAL 24 22.212 28.067 35.883 147 HA VAL 24 HA VAL 24 21.477 25.242 36.315 148 HB VAL 24 HB VAL 24 21.978 25.330 38.380 149 1HG1 VAL 24 1HG1 VAL 24 23.867 25.721 36.726 150 2HG1 VAL 24 2HG1 VAL 24 23.919 27.405 37.295 151 3HG1 VAL 24 3HG1 VAL 24 24.278 26.095 38.439 152 1HG2 VAL 24 1HG2 VAL 24 20.452 27.014 39.078 153 2HG2 VAL 24 2HG2 VAL 24 22.041 27.252 39.869 154 3HG2 VAL 24 3HG2 VAL 24 21.554 28.296 38.504 155 H GLY 25 H GLY 25 19.529 24.857 37.456 156 1HA GLY 25 2HA GLY 25 17.292 25.329 37.948 157 2HA GLY 25 3HA GLY 25 17.635 27.019 37.680 158 H SER 26 H SER 26 18.631 26.062 34.894 159 HA SER 26 HA SER 26 17.521 24.877 33.008 160 1HB SER 26 2HB SER 26 15.266 25.577 33.642 161 2HB SER 26 3HB SER 26 15.701 27.247 33.197 162 HG SER 26 HG SER 26 15.644 24.920 31.540 163 H CYS 27 H CYS 27 17.715 25.757 30.790 164 HA CYS 27 HA CYS 27 20.209 27.256 30.347 165 1HB CYS 27 2HB CYS 27 19.138 25.273 29.001 166 2HB CYS 27 3HB CYS 27 18.160 26.538 28.249 167 H ALA 28 H ALA 28 20.647 28.913 29.151 168 HA ALA 28 HA ALA 28 19.160 31.321 29.515 169 1HB ALA 28 1HB ALA 28 21.604 30.479 27.912 170 2HB ALA 28 2HB ALA 28 21.055 32.184 28.012 171 3HB ALA 28 3HB ALA 28 21.541 31.299 29.476 172 H SER 29 H SER 29 17.711 32.226 28.207 173 HA SER 29 HA SER 29 15.945 31.188 26.597 174 1HB SER 29 2HB SER 29 17.041 33.920 25.942 175 2HB SER 29 3HB SER 29 15.393 33.344 25.704 176 HG SER 29 HG SER 29 15.956 32.940 28.270 177 H GLY 30 H GLY 30 18.622 32.838 24.950 178 1HA GLY 30 2HA GLY 30 17.894 31.720 22.332 179 2HA GLY 30 3HA GLY 30 19.179 32.877 22.698 180 H TRP 31 H TRP 31 19.558 30.175 24.659 181 HA TRP 31 HA TRP 31 21.730 29.153 22.856 182 1HB TRP 31 2HB TRP 31 21.331 28.594 25.773 183 2HB TRP 31 3HB TRP 31 22.670 28.094 24.828 184 HD1 TRP 31 HD1 TRP 31 21.481 31.799 25.080 185 HE1 TRP 31 HE1 TRP 31 23.545 33.198 25.619 186 HE3 TRP 31 HE3 TRP 31 24.809 28.074 25.891 187 HZ2 TRP 31 HZ2 TRP 31 26.253 32.771 26.074 188 HZ3 TRP 31 HZ3 TRP 31 27.167 28.588 26.553 189 HH2 TRP 31 HH2 TRP 31 27.961 30.903 26.530 190 H HIS 32 H HIS 32 22.159 26.677 23.436 191 HA HIS 32 HA HIS 32 19.685 25.125 23.778 192 1HB HIS 32 2HB HIS 32 21.177 24.570 21.200 193 2HB HIS 32 3HB HIS 32 19.610 23.987 21.714 194 HD1 HIS 32 HD1 HIS 32 17.530 25.471 20.851 195 HD2 HIS 32 HD2 HIS 32 21.305 27.262 20.479 196 HE1 HIS 32 HE1 HIS 32 17.216 27.511 19.370 197 H LYS 33 H LYS 33 20.147 22.802 23.697 198 HA LYS 33 HA LYS 33 22.460 22.074 25.262 199 1HB LYS 33 2HB LYS 33 20.060 20.704 24.285 200 2HB LYS 33 3HB LYS 33 21.500 19.684 24.118 201 1HG LYS 33 2HG LYS 33 20.614 19.329 26.234 202 2HG LYS 33 3HG LYS 33 22.106 20.272 26.481 203 1HD LYS 33 2HD LYS 33 20.840 22.364 26.656 204 2HD LYS 33 3HD LYS 33 19.303 21.541 26.274 205 1HE LYS 33 2HE LYS 33 21.199 20.757 28.449 206 2HE LYS 33 3HE LYS 33 19.866 21.899 28.720 207 1HZ LYS 33 1HZ LYS 33 19.295 19.531 29.235 208 2HZ LYS 33 2HZ LYS 33 19.597 19.176 27.653 209 3HZ LYS 33 3HZ LYS 33 18.313 20.169 28.060 210 H CYS 34 H CYS 34 24.429 21.762 24.754 211 HA CYS 34 HA CYS 34 25.195 21.249 21.948 212 1HB CYS 34 2HB CYS 34 26.184 23.000 23.489 213 2HB CYS 34 3HB CYS 34 26.777 21.742 24.486 214 H ASN 35 H ASN 35 24.090 19.238 24.599 215 HA ASN 35 HA ASN 35 25.357 16.914 23.436 216 1HB ASN 35 2HB ASN 35 26.476 16.223 25.569 217 2HB ASN 35 3HB ASN 35 27.267 17.512 24.735 218 1HD2 ASN 35 1HD2 ASN 35 26.638 16.537 27.652 219 2HD2 ASN 35 2HD2 ASN 35 25.736 17.887 28.233 220 H ASP 36 H ASP 36 24.584 14.920 24.636 221 HA ASP 36 HA ASP 36 21.784 15.313 25.053 222 1HB ASP 36 2HB ASP 36 23.377 13.197 24.184 223 2HB ASP 36 3HB ASP 36 22.833 12.655 25.775 224 H GLU 37 H GLU 37 24.338 15.180 27.229 225 HA GLU 37 HA GLU 37 22.544 14.912 29.552 226 1HB GLU 37 2HB GLU 37 24.459 14.526 30.851 227 2HB GLU 37 3HB GLU 37 24.416 13.371 29.477 228 1HG GLU 37 2HG GLU 37 25.955 14.891 28.229 229 2HG GLU 37 3HG GLU 37 26.086 15.856 29.727 230 H TYR 38 H TYR 38 23.254 16.532 31.461 231 HA TYR 38 HA TYR 38 24.036 19.151 30.284 232 1HB TYR 38 2HB TYR 38 22.099 19.332 32.338 233 2HB TYR 38 3HB TYR 38 22.158 20.067 30.707 234 HD1 TYR 38 HD1 TYR 38 21.593 18.478 28.783 235 HD2 TYR 38 HD2 TYR 38 20.531 17.869 32.897 236 HE1 TYR 38 HE1 TYR 38 19.977 16.705 28.093 237 HE2 TYR 38 HE2 TYR 38 18.907 16.101 32.240 238 HH TYR 38 HH TYR 38 18.106 14.777 30.438 239 H ASN 39 H ASN 39 22.952 17.755 33.349 240 HA ASN 39 HA ASN 39 25.279 17.739 34.828 241 1HB ASN 39 2HB ASN 39 24.603 20.421 34.355 242 2HB ASN 39 3HB ASN 39 23.965 20.084 35.954 243 1HD2 ASN 39 1HD2 ASN 39 26.730 20.646 34.152 244 2HD2 ASN 39 2HD2 ASN 39 27.925 20.348 35.419 245 H ILE 40 H ILE 40 24.945 17.890 37.166 246 HA ILE 40 HA ILE 40 23.452 16.055 38.346 247 HB ILE 40 HB ILE 40 25.438 17.326 39.106 248 1HG1 ILE 40 2HG1 ILE 40 25.000 17.560 41.432 249 2HG1 ILE 40 3HG1 ILE 40 23.243 17.680 41.184 250 1HG2 ILE 40 1HG2 ILE 40 25.272 19.529 40.020 251 2HG2 ILE 40 2HG2 ILE 40 24.492 19.547 38.411 252 3HG2 ILE 40 3HG2 ILE 40 23.490 19.495 39.908 253 1HD1 ILE 40 1HD1 ILE 40 23.093 15.426 40.403 254 2HD1 ILE 40 2HD1 ILE 40 24.855 15.293 40.233 255 3HD1 ILE 40 3HD1 ILE 40 24.102 15.334 41.875 256 H ALA 41 H ALA 41 22.696 19.213 37.825 257 HA ALA 41 HA ALA 41 19.842 19.135 38.584 258 1HB ALA 41 1HB ALA 41 20.259 21.331 39.827 259 2HB ALA 41 2HB ALA 41 21.028 19.891 40.562 260 3HB ALA 41 3HB ALA 41 21.985 21.015 39.577 261 H TYR 42 H TYR 42 22.529 21.050 37.407 262 HA TYR 42 HA TYR 42 21.271 23.242 36.131 263 1HB TYR 42 2HB TYR 42 23.999 22.289 35.700 264 2HB TYR 42 3HB TYR 42 23.259 23.895 35.765 265 HD1 TYR 42 HD2 TYR 42 22.042 22.984 38.676 266 HD2 TYR 42 HD1 TYR 42 25.695 23.767 36.639 267 HE1 TYR 42 HE2 TYR 42 23.062 23.301 40.787 268 HE2 TYR 42 HE1 TYR 42 26.601 24.707 38.686 269 HH TYR 42 HH TYR 42 24.982 24.259 41.898 270 H GLU 43 H GLU 43 22.495 23.700 33.938 271 HA GLU 43 HA GLU 43 22.646 21.396 32.123 272 1HB GLU 43 2HB GLU 43 20.849 23.667 31.660 273 2HB GLU 43 3HB GLU 43 21.432 22.727 30.377 274 1HG GLU 43 2HG GLU 43 19.975 20.910 30.945 275 2HG GLU 43 3HG GLU 43 19.720 21.509 32.595 276 H CYS 44 H CYS 44 24.281 21.466 30.989 277 HA CYS 44 HA CYS 44 25.839 23.900 30.418 278 1HB CYS 44 2HB CYS 44 26.360 20.962 29.863 279 2HB CYS 44 3HB CYS 44 27.503 22.275 29.549 280 H CYS 45 H CYS 45 25.100 25.121 28.876 281 HA CYS 45 HA CYS 45 24.207 23.939 26.241 282 1HB CYS 45 2HB CYS 45 23.450 26.632 27.425 283 2HB CYS 45 3HB CYS 45 22.940 25.981 25.860 284 H LYS 46 H LYS 46 24.517 25.634 24.527 285 HA LYS 46 HA LYS 46 27.012 27.208 24.822 286 1HB LYS 46 2HB LYS 46 28.352 26.157 23.566 287 2HB LYS 46 3HB LYS 46 27.353 24.763 24.053 288 1HG LYS 46 2HG LYS 46 27.309 26.335 21.519 289 2HG LYS 46 3HG LYS 46 27.863 24.648 21.771 290 1HD LYS 46 2HD LYS 46 25.853 23.866 21.362 291 2HD LYS 46 3HD LYS 46 25.342 24.746 22.819 292 1HE LYS 46 2HE LYS 46 25.402 26.776 21.137 293 2HE LYS 46 3HE LYS 46 24.941 25.496 19.970 294 1HZ LYS 46 1HZ LYS 46 22.850 25.879 20.854 295 2HZ LYS 46 2HZ LYS 46 23.475 26.643 22.206 296 3HZ LYS 46 3HZ LYS 46 23.390 25.045 22.207 297 H GLN 47 H GLN 47 27.555 28.411 22.891 298 HA GLN 47 HA GLN 47 25.533 29.277 20.968 299 1HB GLN 47 2HB GLN 47 26.066 30.854 23.447 300 2HB GLN 47 3HB GLN 47 26.202 31.759 21.932 301 1HG GLN 47 2HG GLN 47 24.060 30.900 21.202 302 2HG GLN 47 3HG GLN 47 23.789 30.252 22.823 303 1HE2 GLN 47 1HE2 GLN 47 21.860 31.916 22.078 304 2HE2 GLN 47 2HE2 GLN 47 22.159 33.416 22.965 Start of MODEL 18 1 1H GLY 1 H GLY 1 25.931 33.285 35.493 2 1HA GLY 1 2HA GLY 1 25.522 31.165 34.669 3 2HA GLY 1 3HA GLY 1 26.211 31.607 33.093 4 H VAL 2 H VAL 2 27.281 29.403 33.887 5 HA VAL 2 HA VAL 2 29.830 29.986 35.363 6 HB VAL 2 HB VAL 2 28.480 27.502 34.803 7 1HG1 VAL 2 1HG1 VAL 2 30.652 27.833 36.817 8 2HG1 VAL 2 2HG1 VAL 2 29.650 26.360 36.626 9 3HG1 VAL 2 3HG1 VAL 2 30.675 26.831 35.324 10 1HG2 VAL 2 1HG2 VAL 2 26.938 28.540 36.096 11 2HG2 VAL 2 2HG2 VAL 2 27.643 27.141 36.876 12 3HG2 VAL 2 3HG2 VAL 2 28.222 28.826 37.354 13 HA HYP 3 HA HYP 3 31.589 28.373 31.503 14 1HB HYP 3 3HB HYP 3 34.007 28.311 31.790 15 2HB HYP 3 2HB HYP 3 33.869 27.327 33.246 16 1HD HYP 3 3HD HYP 3 31.833 30.097 34.891 17 2HD HYP 3 2HD HYP 3 32.341 28.449 35.295 18 HOD HYP 3 HOD HYP 3 32.822 30.424 32.226 19 HG HYP 3 HG HYP 3 34.375 29.347 34.323 20 H CYS 4 H CYS 4 31.066 26.633 30.420 21 HA CYS 4 HA CYS 4 31.694 23.976 31.508 22 1HB CYS 4 2HB CYS 4 29.683 24.497 32.615 23 2HB CYS 4 3HB CYS 4 28.995 25.114 31.096 24 H ARG 5 H ARG 5 32.364 22.636 29.850 25 HA ARG 5 HA ARG 5 31.990 23.399 27.118 26 1HB ARG 5 2HB ARG 5 33.419 21.242 28.654 27 2HB ARG 5 3HB ARG 5 33.017 20.915 26.931 28 1HG ARG 5 2HG ARG 5 34.025 22.820 26.169 29 2HG ARG 5 3HG ARG 5 34.395 23.403 27.778 30 1HD ARG 5 2HD ARG 5 35.329 20.766 26.785 31 2HD ARG 5 3HD ARG 5 36.306 22.258 26.529 32 HE ARG 5 HE ARG 5 36.034 22.157 29.186 33 1HH1 ARG 5 1HH1 ARG 5 37.260 19.828 26.746 34 2HH1 ARG 5 2HH1 ARG 5 38.291 19.096 27.979 35 1HH2 ARG 5 1HH2 ARG 5 37.182 21.104 30.485 36 2HH2 ARG 5 2HH2 ARG 5 38.280 19.761 30.034 37 H CYS 6 H CYS 6 31.381 22.285 25.629 38 HA CYS 6 HA CYS 6 28.744 20.916 25.761 39 1HB CYS 6 2HB CYS 6 30.371 22.301 23.572 40 2HB CYS 6 3HB CYS 6 28.727 21.681 23.315 41 H ASP 7 H ASP 7 28.475 19.023 24.128 42 HA ASP 7 HA ASP 7 30.210 16.868 24.945 43 1HB ASP 7 2HB ASP 7 27.881 16.512 24.347 44 2HB ASP 7 3HB ASP 7 28.161 17.065 22.698 45 H SER 8 H SER 8 29.938 18.593 21.935 46 HA SER 8 HA SER 8 32.403 17.381 20.790 47 1HB SER 8 2HB SER 8 30.281 17.425 19.491 48 2HB SER 8 3HB SER 8 30.280 19.199 19.566 49 HG SER 8 HG SER 8 32.351 19.095 18.567 50 H ASP 9 H ASP 9 32.924 18.973 22.997 51 HA ASP 9 HA ASP 9 33.251 21.655 22.938 52 1HB ASP 9 2HB ASP 9 34.739 21.427 24.747 53 2HB ASP 9 3HB ASP 9 33.783 19.977 24.797 54 H GLY 10 H GLY 10 35.360 19.554 21.270 55 1HA GLY 10 2HA GLY 10 37.316 21.496 20.680 56 2HA GLY 10 3HA GLY 10 37.025 19.938 19.782 57 HA PRO 11 HA PRO 11 36.065 21.928 16.154 58 1HB PRO 11 2HB PRO 11 33.892 20.383 15.244 59 2HB PRO 11 3HB PRO 11 35.623 19.906 15.142 60 1HG PRO 11 2HG PRO 11 33.727 19.393 17.469 61 2HG PRO 11 3HG PRO 11 34.642 18.124 16.543 62 1HD PRO 11 2HD PRO 11 35.450 18.986 18.807 63 2HD PRO 11 3HD PRO 11 36.661 19.025 17.472 64 H SER 12 H SER 12 33.974 22.168 18.806 65 HA SER 12 HA SER 12 31.744 23.676 17.504 66 1HB SER 12 2HB SER 12 32.510 23.328 20.410 67 2HB SER 12 3HB SER 12 31.086 24.182 19.790 68 HG SER 12 HG SER 12 31.701 21.438 19.648 69 H VAL 13 H VAL 13 34.892 24.326 18.921 70 HA VAL 13 HA VAL 13 34.582 27.118 18.073 71 HB VAL 13 HB VAL 13 35.498 27.189 20.816 72 1HG1 VAL 13 1HG1 VAL 13 34.435 28.975 19.467 73 2HG1 VAL 13 2HG1 VAL 13 32.914 28.066 19.471 74 3HG1 VAL 13 3HG1 VAL 13 33.557 28.710 21.000 75 1HG2 VAL 13 1HG2 VAL 13 34.161 24.991 21.091 76 2HG2 VAL 13 2HG2 VAL 13 33.605 26.364 22.106 77 3HG2 VAL 13 3HG2 VAL 13 32.727 25.878 20.632 78 H HIS 14 H HIS 14 36.386 28.149 17.737 79 HA HIS 14 HA HIS 14 38.743 26.846 17.071 80 1HB HIS 14 2HB HIS 14 38.833 29.796 17.508 81 2HB HIS 14 3HB HIS 14 39.323 28.847 16.110 82 HD1 HIS 14 HD1 HIS 14 36.729 27.636 14.966 83 HD2 HIS 14 HD2 HIS 14 36.739 31.169 17.259 84 HE1 HIS 14 HE1 HIS 14 34.361 28.597 14.857 85 H GLY 15 H GLY 15 38.010 27.374 20.214 86 1HA GLY 15 2HA GLY 15 40.760 26.995 21.183 87 2HA GLY 15 3HA GLY 15 39.877 28.403 21.813 88 H ASN 16 H ASN 16 40.514 25.195 22.342 89 HA ASN 16 HA ASN 16 38.198 23.960 23.177 90 1HB ASN 16 2HB ASN 16 39.770 22.451 24.455 91 2HB ASN 16 3HB ASN 16 40.362 22.839 22.837 92 1HD2 ASN 16 1HD2 ASN 16 42.641 23.102 22.935 93 2HD2 ASN 16 2HD2 ASN 16 43.336 24.084 24.225 94 H THR 17 H THR 17 39.355 26.518 24.811 95 HA THR 17 HA THR 17 38.676 26.001 27.546 96 HB THR 17 HB THR 17 40.058 27.887 26.850 97 HG1 THR 17 HG1 THR 17 39.060 29.392 28.248 98 1HG2 THR 17 1HG2 THR 17 37.397 28.989 25.911 99 2HG2 THR 17 2HG2 THR 17 38.669 28.388 24.854 100 3HG2 THR 17 3HG2 THR 17 38.973 29.840 25.865 101 H LEU 18 H LEU 18 36.986 26.876 28.823 102 HA LEU 18 HA LEU 18 34.503 25.916 28.098 103 1HB LEU 18 2HB LEU 18 35.471 27.406 30.480 104 2HB LEU 18 3HB LEU 18 33.838 26.635 30.352 105 HG LEU 18 HG LEU 18 36.341 25.025 29.815 106 1HD1 LEU 18 1HD1 LEU 18 36.188 24.385 32.155 107 2HD1 LEU 18 2HD1 LEU 18 34.833 25.535 32.359 108 3HD1 LEU 18 3HD1 LEU 18 36.450 26.156 31.966 109 1HD2 LEU 18 1HD2 LEU 18 33.653 24.257 30.971 110 2HD2 LEU 18 2HD2 LEU 18 34.825 23.258 29.900 111 3HD2 LEU 18 3HD2 LEU 18 33.797 24.537 29.275 112 H SER 19 H SER 19 34.471 27.377 26.104 113 HA SER 19 HA SER 19 33.338 30.023 26.202 114 1HB SER 19 2HB SER 19 34.453 29.147 24.207 115 2HB SER 19 3HB SER 19 33.297 27.813 24.110 116 HG SER 19 HG SER 19 32.663 30.582 23.795 117 H GLY 20 H GLY 20 31.956 26.771 26.243 118 1HA GLY 20 2HA GLY 20 29.161 27.540 25.971 119 2HA GLY 20 3HA GLY 20 29.773 25.980 26.576 120 H THR 21 H THR 21 27.558 27.287 27.810 121 HA THR 21 HA THR 21 28.731 28.066 30.425 122 HB THR 21 HB THR 21 26.376 29.435 29.068 123 HG1 THR 21 HG1 THR 21 28.879 29.786 28.533 124 1HG2 THR 21 1HG2 THR 21 26.193 29.575 31.464 125 2HG2 THR 21 2HG2 THR 21 26.588 31.145 30.696 126 3HG2 THR 21 3HG2 THR 21 27.859 30.235 31.558 127 H VAL 22 H VAL 22 27.765 27.144 32.219 128 HA VAL 22 HA VAL 22 25.434 25.514 31.775 129 HB VAL 22 HB VAL 22 27.016 24.261 32.726 130 1HG1 VAL 22 1HG1 VAL 22 27.975 24.541 34.869 131 2HG1 VAL 22 2HG1 VAL 22 28.465 25.835 33.689 132 3HG1 VAL 22 3HG1 VAL 22 27.110 26.077 34.941 133 1HG2 VAL 22 1HG2 VAL 22 24.522 24.279 33.544 134 2HG2 VAL 22 2HG2 VAL 22 25.735 23.413 34.403 135 3HG2 VAL 22 3HG2 VAL 22 25.142 25.017 35.040 136 H TRP 23 H TRP 23 23.804 25.799 32.665 137 HA TRP 23 HA TRP 23 23.026 28.229 34.175 138 1HB TRP 23 2HB TRP 23 21.295 26.851 32.086 139 2HB TRP 23 3HB TRP 23 21.060 28.454 32.812 140 HD1 TRP 23 HD1 TRP 23 22.899 26.644 30.059 141 HE1 TRP 23 HE1 TRP 23 24.182 28.351 28.580 142 HE3 TRP 23 HE3 TRP 23 22.330 30.844 32.868 143 HZ2 TRP 23 HZ2 TRP 23 24.577 31.143 28.508 144 HZ3 TRP 23 HZ3 TRP 23 23.048 33.092 32.011 145 HH2 TRP 23 HH2 TRP 23 24.127 33.224 29.733 146 H VAL 24 H VAL 24 22.232 27.729 35.911 147 HA VAL 24 HA VAL 24 21.736 24.881 36.534 148 HB VAL 24 HB VAL 24 22.359 27.284 38.201 149 1HG1 VAL 24 1HG1 VAL 24 22.323 25.739 40.117 150 2HG1 VAL 24 2HG1 VAL 24 20.714 25.992 39.352 151 3HG1 VAL 24 3HG1 VAL 24 21.570 24.516 39.050 152 1HG2 VAL 24 1HG2 VAL 24 24.049 25.307 36.827 153 2HG2 VAL 24 2HG2 VAL 24 24.227 26.981 37.121 154 3HG2 VAL 24 3HG2 VAL 24 24.509 25.875 38.488 155 H GLY 25 H GLY 25 19.889 24.137 37.222 156 1HA GLY 25 2HA GLY 25 17.656 24.202 37.933 157 2HA GLY 25 3HA GLY 25 17.760 25.968 37.830 158 H SER 26 H SER 26 18.454 26.390 35.136 159 HA SER 26 HA SER 26 17.375 24.594 33.176 160 1HB SER 26 2HB SER 26 15.470 25.704 32.487 161 2HB SER 26 3HB SER 26 15.332 25.783 34.249 162 HG SER 26 HG SER 26 16.345 27.868 32.591 163 H CYS 27 H CYS 27 17.714 25.347 30.955 164 HA CYS 27 HA CYS 27 19.982 27.096 30.440 165 1HB CYS 27 2HB CYS 27 18.889 25.211 28.957 166 2HB CYS 27 3HB CYS 27 17.835 26.495 28.406 167 H ALA 28 H ALA 28 20.131 28.836 29.140 168 HA ALA 28 HA ALA 28 18.548 31.126 29.949 169 1HB ALA 28 1HB ALA 28 20.932 31.221 29.830 170 2HB ALA 28 2HB ALA 28 20.968 30.617 28.178 171 3HB ALA 28 3HB ALA 28 20.321 32.255 28.511 172 H SER 29 H SER 29 17.018 32.065 28.829 173 HA SER 29 HA SER 29 15.255 31.112 27.163 174 1HB SER 29 2HB SER 29 16.042 34.014 26.909 175 2HB SER 29 3HB SER 29 14.424 33.294 26.829 176 HG SER 29 HG SER 29 15.210 32.524 29.145 177 H GLY 30 H GLY 30 18.104 32.697 25.732 178 1HA GLY 30 2HA GLY 30 17.054 32.156 22.980 179 2HA GLY 30 3HA GLY 30 18.343 33.263 23.440 180 H TRP 31 H TRP 31 18.870 30.381 25.028 181 HA TRP 31 HA TRP 31 21.033 29.656 23.084 182 1HB TRP 31 2HB TRP 31 20.792 28.903 25.991 183 2HB TRP 31 3HB TRP 31 22.125 28.568 24.956 184 HD1 TRP 31 HD1 TRP 31 20.593 32.126 25.590 185 HE1 TRP 31 HE1 TRP 31 22.496 33.675 26.189 186 HE3 TRP 31 HE3 TRP 31 24.315 28.702 25.840 187 HZ2 TRP 31 HZ2 TRP 31 25.335 33.467 26.554 188 HZ3 TRP 31 HZ3 TRP 31 26.605 29.348 26.568 189 HH2 TRP 31 HH2 TRP 31 27.170 31.730 26.854 190 H HIS 32 H HIS 32 21.686 27.158 23.489 191 HA HIS 32 HA HIS 32 19.329 25.417 23.736 192 1HB HIS 32 2HB HIS 32 20.885 25.244 21.112 193 2HB HIS 32 3HB HIS 32 19.465 24.348 21.580 194 HD1 HIS 32 HD1 HIS 32 17.265 25.219 20.655 195 HD2 HIS 32 HD2 HIS 32 20.421 27.990 20.681 196 HE1 HIS 32 HE1 HIS 32 16.394 27.325 19.437 197 H LYS 33 H LYS 33 19.920 23.169 23.442 198 HA LYS 33 HA LYS 33 22.171 22.322 24.998 199 1HB LYS 33 2HB LYS 33 19.945 20.976 23.616 200 2HB LYS 33 3HB LYS 33 21.456 20.060 23.533 201 1HG LYS 33 2HG LYS 33 20.409 19.460 25.627 202 2HG LYS 33 3HG LYS 33 21.790 20.495 26.036 203 1HD LYS 33 2HD LYS 33 20.221 22.485 26.035 204 2HD LYS 33 3HD LYS 33 18.863 21.323 25.784 205 1HE LYS 33 2HE LYS 33 18.981 21.216 28.087 206 2HE LYS 33 3HE LYS 33 20.203 20.020 27.577 207 1HZ LYS 33 1HZ LYS 33 21.845 22.009 27.775 208 2HZ LYS 33 2HZ LYS 33 21.203 21.422 29.192 209 3HZ LYS 33 3HZ LYS 33 20.549 22.741 28.562 210 H CYS 34 H CYS 34 24.148 22.305 24.518 211 HA CYS 34 HA CYS 34 25.117 21.915 21.730 212 1HB CYS 34 2HB CYS 34 27.157 22.828 22.571 213 2HB CYS 34 3HB CYS 34 25.818 23.865 22.997 214 H ASN 35 H ASN 35 24.019 19.907 23.952 215 HA ASN 35 HA ASN 35 25.837 17.719 23.341 216 1HB ASN 35 2HB ASN 35 26.236 17.207 25.786 217 2HB ASN 35 3HB ASN 35 27.035 18.643 25.199 218 1HD2 ASN 35 1HD2 ASN 35 23.908 19.211 25.756 219 2HD2 ASN 35 2HD2 ASN 35 24.061 19.264 27.443 220 H ASP 36 H ASP 36 24.891 15.640 24.037 221 HA ASP 36 HA ASP 36 22.002 15.672 23.983 222 1HB ASP 36 2HB ASP 36 24.169 13.817 23.481 223 2HB ASP 36 3HB ASP 36 23.076 13.109 24.649 224 H GLU 37 H GLU 37 24.361 15.536 26.465 225 HA GLU 37 HA GLU 37 22.455 14.922 28.621 226 1HB GLU 37 2HB GLU 37 24.439 14.694 30.006 227 2HB GLU 37 3HB GLU 37 24.411 13.570 28.612 228 1HG GLU 37 2HG GLU 37 25.927 15.012 27.409 229 2HG GLU 37 3HG GLU 37 25.952 16.138 28.784 230 H TYR 38 H TYR 38 23.524 16.454 30.778 231 HA TYR 38 HA TYR 38 23.770 19.230 29.755 232 1HB TYR 38 2HB TYR 38 22.091 19.059 32.035 233 2HB TYR 38 3HB TYR 38 21.930 19.931 30.441 234 HD1 TYR 38 HD1 TYR 38 21.028 18.884 28.615 235 HD2 TYR 38 HD2 TYR 38 20.962 17.115 32.463 236 HE1 TYR 38 HE1 TYR 38 19.665 16.978 27.663 237 HE2 TYR 38 HE2 TYR 38 19.574 15.223 31.634 238 HH TYR 38 HH TYR 38 18.399 14.370 29.784 239 H ASN 39 H ASN 39 23.290 17.511 32.875 240 HA ASN 39 HA ASN 39 25.834 17.823 33.883 241 1HB ASN 39 2HB ASN 39 24.633 20.365 33.781 242 2HB ASN 39 3HB ASN 39 24.543 19.867 35.447 243 1HD2 ASN 39 1HD2 ASN 39 26.569 20.886 32.968 244 2HD2 ASN 39 2HD2 ASN 39 28.094 20.857 33.864 245 H ILE 40 H ILE 40 25.994 17.990 36.277 246 HA ILE 40 HA ILE 40 25.139 15.913 37.688 247 HB ILE 40 HB ILE 40 27.067 17.424 37.995 248 1HG1 ILE 40 2HG1 ILE 40 27.156 17.608 40.367 249 2HG1 ILE 40 3HG1 ILE 40 25.391 17.514 40.522 250 1HG2 ILE 40 1HG2 ILE 40 25.109 19.335 39.277 251 2HG2 ILE 40 2HG2 ILE 40 26.848 19.606 38.980 252 3HG2 ILE 40 3HG2 ILE 40 25.723 19.515 37.592 253 1HD1 ILE 40 1HD1 ILE 40 26.683 15.295 40.939 254 2HD1 ILE 40 2HD1 ILE 40 25.346 15.251 39.756 255 3HD1 ILE 40 3HD1 ILE 40 27.017 15.343 39.170 256 H ALA 41 H ALA 41 23.883 18.979 37.533 257 HA ALA 41 HA ALA 41 21.333 18.471 38.920 258 1HB ALA 41 1HB ALA 41 22.877 19.406 40.561 259 2HB ALA 41 2HB ALA 41 23.367 20.680 39.443 260 3HB ALA 41 3HB ALA 41 21.717 20.696 40.113 261 H TYR 42 H TYR 42 23.330 20.720 37.306 262 HA TYR 42 HA TYR 42 21.617 22.662 36.152 263 1HB TYR 42 2HB TYR 42 24.386 22.088 35.320 264 2HB TYR 42 3HB TYR 42 23.497 23.600 35.601 265 HD1 TYR 42 HD2 TYR 42 22.618 22.856 38.410 266 HD2 TYR 42 HD1 TYR 42 26.300 23.069 36.268 267 HE1 TYR 42 HE2 TYR 42 23.689 23.503 40.432 268 HE2 TYR 42 HE1 TYR 42 27.504 23.636 38.322 269 HH TYR 42 HH TYR 42 27.194 24.446 40.594 270 H GLU 43 H GLU 43 22.690 23.299 33.950 271 HA GLU 43 HA GLU 43 22.637 21.154 31.920 272 1HB GLU 43 2HB GLU 43 20.773 23.410 32.118 273 2HB GLU 43 3HB GLU 43 21.328 23.049 30.564 274 1HG GLU 43 2HG GLU 43 20.035 20.944 30.617 275 2HG GLU 43 3HG GLU 43 19.515 21.318 32.290 276 H CYS 44 H CYS 44 24.070 21.401 30.474 277 HA CYS 44 HA CYS 44 25.507 23.962 30.146 278 1HB CYS 44 2HB CYS 44 26.417 21.405 30.244 279 2HB CYS 44 3HB CYS 44 26.208 21.571 28.508 280 H CYS 45 H CYS 45 25.332 25.282 28.429 281 HA CYS 45 HA CYS 45 24.001 24.493 25.904 282 1HB CYS 45 2HB CYS 45 23.133 26.969 27.425 283 2HB CYS 45 3HB CYS 45 22.595 26.428 25.828 284 H LYS 46 H LYS 46 24.185 26.284 24.372 285 HA LYS 46 HA LYS 46 26.602 27.959 24.752 286 1HB LYS 46 2HB LYS 46 27.916 27.121 23.317 287 2HB LYS 46 3HB LYS 46 27.016 25.659 23.767 288 1HG LYS 46 2HG LYS 46 26.821 27.314 21.331 289 2HG LYS 46 3HG LYS 46 27.355 25.579 21.533 290 1HD LYS 46 2HD LYS 46 25.370 24.881 21.095 291 2HD LYS 46 3HD LYS 46 24.908 25.665 22.621 292 1HE LYS 46 2HE LYS 46 24.847 27.811 21.121 293 2HE LYS 46 3HE LYS 46 24.382 26.619 19.860 294 1HZ LYS 46 1HZ LYS 46 22.329 27.036 20.893 295 2HZ LYS 46 2HZ LYS 46 23.035 27.411 22.351 296 3HZ LYS 46 3HZ LYS 46 22.870 25.847 21.947 297 H GLN 47 H GLN 47 27.049 29.433 23.128 298 HA GLN 47 HA GLN 47 25.351 30.569 21.148 299 1HB GLN 47 2HB GLN 47 25.030 31.483 23.942 300 2HB GLN 47 3HB GLN 47 25.439 32.792 22.849 301 1HG GLN 47 2HG GLN 47 23.625 32.007 21.372 302 2HG GLN 47 3HG GLN 47 23.020 31.024 22.697 303 1HE2 GLN 47 1HE2 GLN 47 21.002 32.324 22.599 304 2HE2 GLN 47 2HE2 GLN 47 21.138 33.860 23.470 Start of MODEL 19 1 1H GLY 1 H GLY 1 25.115 32.942 35.157 2 1HA GLY 1 2HA GLY 1 25.630 30.585 35.047 3 2HA GLY 1 3HA GLY 1 26.445 31.455 33.763 4 H VAL 2 H VAL 2 27.570 29.249 34.110 5 HA VAL 2 HA VAL 2 30.070 29.659 35.723 6 HB VAL 2 HB VAL 2 28.664 27.213 35.164 7 1HG1 VAL 2 1HG1 VAL 2 30.897 27.382 37.093 8 2HG1 VAL 2 2HG1 VAL 2 29.858 25.939 36.789 9 3HG1 VAL 2 3HG1 VAL 2 30.868 26.514 35.522 10 1HG2 VAL 2 1HG2 VAL 2 28.556 28.490 37.762 11 2HG2 VAL 2 2HG2 VAL 2 27.201 28.228 36.581 12 3HG2 VAL 2 3HG2 VAL 2 27.935 26.819 37.311 13 HA HYP 3 HA HYP 3 31.575 28.168 31.740 14 1HB HYP 3 3HB HYP 3 34.054 28.069 31.904 15 2HB HYP 3 2HB HYP 3 33.942 27.088 33.365 16 1HD HYP 3 3HD HYP 3 32.022 29.779 35.158 17 2HD HYP 3 2HD HYP 3 32.556 28.115 35.463 18 HOD HYP 3 HOD HYP 3 34.398 30.699 33.116 19 HG HYP 3 HG HYP 3 34.525 29.069 34.419 20 H CYS 4 H CYS 4 30.930 26.425 30.652 21 HA CYS 4 HA CYS 4 31.676 23.804 31.662 22 1HB CYS 4 2HB CYS 4 29.685 24.260 32.919 23 2HB CYS 4 3HB CYS 4 28.843 24.594 31.376 24 H ARG 5 H ARG 5 32.337 22.618 29.963 25 HA ARG 5 HA ARG 5 31.796 23.297 27.260 26 1HB ARG 5 2HB ARG 5 33.420 21.213 28.702 27 2HB ARG 5 3HB ARG 5 33.163 20.979 26.957 28 1HG ARG 5 2HG ARG 5 33.961 23.109 26.418 29 2HG ARG 5 3HG ARG 5 34.316 23.460 28.058 30 1HD ARG 5 2HD ARG 5 35.480 21.085 26.661 31 2HD ARG 5 3HD ARG 5 36.295 22.686 26.791 32 HE ARG 5 HE ARG 5 35.521 21.140 29.197 33 1HH1 ARG 5 1HH1 ARG 5 38.111 21.767 26.911 34 2HH1 ARG 5 2HH1 ARG 5 39.323 21.249 28.040 35 1HH2 ARG 5 1HH2 ARG 5 36.837 20.610 30.420 36 2HH2 ARG 5 2HH2 ARG 5 38.595 20.482 30.175 37 H CYS 6 H CYS 6 31.811 21.139 26.003 38 HA CYS 6 HA CYS 6 29.423 19.457 26.340 39 1HB CYS 6 2HB CYS 6 28.413 20.271 24.248 40 2HB CYS 6 3HB CYS 6 28.525 21.485 25.543 41 H ASP 7 H ASP 7 29.034 18.221 24.098 42 HA ASP 7 HA ASP 7 31.051 16.320 23.682 43 1HB ASP 7 2HB ASP 7 28.700 15.941 23.218 44 2HB ASP 7 3HB ASP 7 28.654 17.262 22.061 45 H SER 8 H SER 8 30.220 19.091 21.659 46 HA SER 8 HA SER 8 32.573 18.722 19.910 47 1HB SER 8 2HB SER 8 30.336 19.249 18.996 48 2HB SER 8 3HB SER 8 30.316 20.749 19.936 49 HG SER 8 HG SER 8 32.520 20.977 18.721 50 H ASP 9 H ASP 9 32.056 20.214 22.767 51 HA ASP 9 HA ASP 9 32.496 21.869 24.016 52 1HB ASP 9 2HB ASP 9 34.369 21.679 25.040 53 2HB ASP 9 3HB ASP 9 34.301 20.144 24.244 54 H GLY 10 H GLY 10 33.147 22.765 20.975 55 1HA GLY 10 2HA GLY 10 32.344 25.387 21.304 56 2HA GLY 10 3HA GLY 10 34.154 25.404 21.239 57 HA PRO 11 HA PRO 11 32.299 23.249 17.360 58 1HB PRO 11 2HB PRO 11 29.564 24.033 16.827 59 2HB PRO 11 3HB PRO 11 30.117 22.485 17.523 60 1HG PRO 11 2HG PRO 11 29.429 25.060 19.027 61 2HG PRO 11 3HG PRO 11 28.829 23.382 19.366 62 1HD PRO 11 2HD PRO 11 30.704 24.451 20.736 63 2HD PRO 11 3HD PRO 11 30.998 22.787 20.137 64 H SER 12 H SER 12 31.945 26.516 18.136 65 HA SER 12 HA SER 12 31.558 27.674 15.452 66 1HB SER 12 2HB SER 12 32.465 28.998 17.996 67 2HB SER 12 3HB SER 12 31.713 29.761 16.576 68 HG SER 12 HG SER 12 30.213 29.412 18.325 69 H VAL 13 H VAL 13 34.212 26.580 17.304 70 HA VAL 13 HA VAL 13 36.114 27.510 15.218 71 HB VAL 13 HB VAL 13 37.538 28.553 17.072 72 1HG1 VAL 13 1HG1 VAL 13 34.876 29.908 16.606 73 2HG1 VAL 13 2HG1 VAL 13 36.504 30.631 16.867 74 3HG1 VAL 13 3HG1 VAL 13 36.153 29.705 15.388 75 1HG2 VAL 13 1HG2 VAL 13 36.328 27.518 19.023 76 2HG2 VAL 13 2HG2 VAL 13 36.403 29.290 19.105 77 3HG2 VAL 13 3HG2 VAL 13 34.888 28.473 18.608 78 H HIS 14 H HIS 14 38.346 27.021 16.956 79 HA HIS 14 HA HIS 14 38.513 24.055 17.087 80 1HB HIS 14 2HB HIS 14 41.010 24.747 16.591 81 2HB HIS 14 3HB HIS 14 39.809 24.791 15.296 82 HD1 HIS 14 HD1 HIS 14 41.690 27.264 17.621 83 HD2 HIS 14 HD2 HIS 14 39.170 27.175 14.236 84 HE1 HIS 14 HE1 HIS 14 41.292 29.709 16.889 85 H GLY 15 H GLY 15 38.680 26.830 19.047 86 1HA GLY 15 2HA GLY 15 40.818 26.064 20.870 87 2HA GLY 15 3HA GLY 15 39.697 27.403 21.054 88 H ASN 16 H ASN 16 40.216 24.035 21.659 89 HA ASN 16 HA ASN 16 37.998 23.102 22.981 90 1HB ASN 16 2HB ASN 16 40.919 22.410 23.454 91 2HB ASN 16 3HB ASN 16 39.541 21.404 23.924 92 1HD2 ASN 16 1HD2 ASN 16 37.898 21.210 21.934 93 2HD2 ASN 16 2HD2 ASN 16 38.698 20.598 20.486 94 H THR 17 H THR 17 37.545 25.042 24.058 95 HA THR 17 HA THR 17 38.254 25.064 27.027 96 HB THR 17 HB THR 17 38.024 27.547 26.953 97 HG1 THR 17 HG1 THR 17 37.824 27.153 24.144 98 1HG2 THR 17 1HG2 THR 17 40.262 26.593 26.656 99 2HG2 THR 17 2HG2 THR 17 40.049 28.139 25.806 100 3HG2 THR 17 3HG2 THR 17 40.031 26.613 24.886 101 H LEU 18 H LEU 18 36.833 26.320 28.429 102 HA LEU 18 HA LEU 18 34.159 25.488 28.225 103 1HB LEU 18 2HB LEU 18 35.497 27.150 30.301 104 2HB LEU 18 3HB LEU 18 33.830 26.454 30.392 105 HG LEU 18 HG LEU 18 36.204 24.680 29.866 106 1HD1 LEU 18 1HD1 LEU 18 36.493 26.061 31.867 107 2HD1 LEU 18 2HD1 LEU 18 36.292 24.306 32.227 108 3HD1 LEU 18 3HD1 LEU 18 34.922 25.441 32.441 109 1HD2 LEU 18 1HD2 LEU 18 34.673 23.017 30.098 110 2HD2 LEU 18 2HD2 LEU 18 33.543 24.319 29.685 111 3HD2 LEU 18 3HD2 LEU 18 33.695 23.955 31.367 112 H SER 19 H SER 19 34.245 26.755 25.996 113 HA SER 19 HA SER 19 33.357 29.533 26.048 114 1HB SER 19 2HB SER 19 33.234 27.349 23.918 115 2HB SER 19 3HB SER 19 32.657 29.013 23.676 116 HG SER 19 HG SER 19 35.319 28.220 24.349 117 H GLY 20 H GLY 20 31.941 26.422 26.500 118 1HA GLY 20 2HA GLY 20 29.122 27.193 26.126 119 2HA GLY 20 3HA GLY 20 29.735 25.641 26.753 120 H THR 21 H THR 21 27.635 26.772 28.154 121 HA THR 21 HA THR 21 28.920 27.632 30.684 122 HB THR 21 HB THR 21 26.674 29.153 29.286 123 HG1 THR 21 HG1 THR 21 29.365 29.328 29.099 124 1HG2 THR 21 1HG2 THR 21 26.936 30.900 30.817 125 2HG2 THR 21 2HG2 THR 21 28.145 29.971 31.770 126 3HG2 THR 21 3HG2 THR 21 26.452 29.412 31.691 127 H VAL 22 H VAL 22 27.758 27.015 32.559 128 HA VAL 22 HA VAL 22 25.363 25.493 32.109 129 HB VAL 22 HB VAL 22 26.852 24.180 33.086 130 1HG1 VAL 22 1HG1 VAL 22 28.424 25.603 33.972 131 2HG1 VAL 22 2HG1 VAL 22 27.107 26.006 35.236 132 3HG1 VAL 22 3HG1 VAL 22 27.826 24.399 35.206 133 1HG2 VAL 22 1HG2 VAL 22 24.960 25.072 35.360 134 2HG2 VAL 22 2HG2 VAL 22 24.361 24.360 33.843 135 3HG2 VAL 22 3HG2 VAL 22 25.462 23.425 34.751 136 H TRP 23 H TRP 23 23.782 25.919 32.913 137 HA TRP 23 HA TRP 23 22.991 28.379 34.357 138 1HB TRP 23 2HB TRP 23 21.365 27.038 32.141 139 2HB TRP 23 3HB TRP 23 21.161 28.671 32.778 140 HD1 TRP 23 HD1 TRP 23 23.036 26.588 30.266 141 HE1 TRP 23 HE1 TRP 23 24.457 28.109 28.709 142 HE3 TRP 23 HE3 TRP 23 22.501 31.028 32.675 143 HZ2 TRP 23 HZ2 TRP 23 24.990 30.860 28.440 144 HZ3 TRP 23 HZ3 TRP 23 23.317 33.167 31.644 145 HH2 TRP 23 HH2 TRP 23 24.533 33.055 29.420 146 H VAL 24 H VAL 24 21.747 27.861 36.022 147 HA VAL 24 HA VAL 24 21.266 24.964 36.275 148 HB VAL 24 HB VAL 24 21.491 24.968 38.353 149 1HG1 VAL 24 1HG1 VAL 24 23.657 25.788 38.767 150 2HG1 VAL 24 2HG1 VAL 24 23.579 25.550 36.965 151 3HG1 VAL 24 3HG1 VAL 24 23.430 27.180 37.647 152 1HG2 VAL 24 1HG2 VAL 24 19.816 26.525 38.997 153 2HG2 VAL 24 2HG2 VAL 24 21.312 26.753 39.963 154 3HG2 VAL 24 3HG2 VAL 24 20.924 27.887 38.640 155 H GLY 25 H GLY 25 19.342 24.304 37.331 156 1HA GLY 25 2HA GLY 25 17.017 24.433 37.620 157 2HA GLY 25 3HA GLY 25 17.120 26.157 37.335 158 H SER 26 H SER 26 18.078 26.341 34.741 159 HA SER 26 HA SER 26 17.127 24.571 32.712 160 1HB SER 26 2HB SER 26 14.954 25.675 33.406 161 2HB SER 26 3HB SER 26 15.658 27.243 32.959 162 HG SER 26 HG SER 26 15.158 24.979 31.285 163 H CYS 27 H CYS 27 17.410 25.699 30.507 164 HA CYS 27 HA CYS 27 20.040 27.082 30.284 165 1HB CYS 27 2HB CYS 27 19.015 25.172 28.809 166 2HB CYS 27 3HB CYS 27 18.049 26.440 28.083 167 H ALA 28 H ALA 28 20.374 28.764 28.801 168 HA ALA 28 HA ALA 28 18.856 31.124 29.515 169 1HB ALA 28 1HB ALA 28 21.366 30.597 27.862 170 2HB ALA 28 2HB ALA 28 20.800 32.227 28.332 171 3HB ALA 28 3HB ALA 28 21.245 31.008 29.568 172 H SER 29 H SER 29 17.690 32.409 28.218 173 HA SER 29 HA SER 29 15.820 31.881 26.606 174 1HB SER 29 2HB SER 29 17.296 34.462 26.164 175 2HB SER 29 3HB SER 29 15.556 34.195 26.338 176 HG SER 29 HG SER 29 16.797 35.156 28.150 177 H GLY 30 H GLY 30 18.770 31.558 25.139 178 1HA GLY 30 2HA GLY 30 17.650 31.421 22.409 179 2HA GLY 30 3HA GLY 30 18.855 32.692 22.652 180 H TRP 31 H TRP 31 19.438 30.015 24.565 181 HA TRP 31 HA TRP 31 21.715 29.118 22.821 182 1HB TRP 31 2HB TRP 31 21.217 28.574 25.733 183 2HB TRP 31 3HB TRP 31 22.614 28.091 24.853 184 HD1 TRP 31 HD1 TRP 31 21.276 31.771 25.101 185 HE1 TRP 31 HE1 TRP 31 23.239 33.236 25.810 186 HE3 TRP 31 HE3 TRP 31 24.714 28.167 25.999 187 HZ2 TRP 31 HZ2 TRP 31 25.964 32.914 26.385 188 HZ3 TRP 31 HZ3 TRP 31 27.021 28.771 26.797 189 HH2 TRP 31 HH2 TRP 31 27.700 31.099 26.906 190 H HIS 32 H HIS 32 22.230 26.631 23.392 191 HA HIS 32 HA HIS 32 19.807 24.975 23.665 192 1HB HIS 32 2HB HIS 32 21.435 24.569 21.127 193 2HB HIS 32 3HB HIS 32 19.961 23.774 21.600 194 HD1 HIS 32 HD1 HIS 32 17.856 24.644 20.416 195 HD2 HIS 32 HD2 HIS 32 21.128 27.276 20.470 196 HE1 HIS 32 HE1 HIS 32 17.222 26.591 18.897 197 H LYS 33 H LYS 33 20.349 22.671 23.502 198 HA LYS 33 HA LYS 33 22.557 21.856 25.163 199 1HB LYS 33 2HB LYS 33 20.253 20.517 23.947 200 2HB LYS 33 3HB LYS 33 21.716 19.529 23.842 201 1HG LYS 33 2HG LYS 33 20.780 19.074 26.011 202 2HG LYS 33 3HG LYS 33 22.186 20.127 26.298 203 1HD LYS 33 2HD LYS 33 20.612 22.112 26.207 204 2HD LYS 33 3HD LYS 33 19.246 20.943 26.104 205 1HE LYS 33 2HE LYS 33 19.388 20.933 28.383 206 2HE LYS 33 3HE LYS 33 20.738 19.829 28.005 207 1HZ LYS 33 1HZ LYS 33 21.499 21.500 29.483 208 2HZ LYS 33 2HZ LYS 33 20.839 22.688 28.624 209 3HZ LYS 33 3HZ LYS 33 22.203 21.872 28.029 210 H CYS 34 H CYS 34 24.525 21.858 24.615 211 HA CYS 34 HA CYS 34 25.409 21.374 21.811 212 1HB CYS 34 2HB CYS 34 26.342 23.206 23.283 213 2HB CYS 34 3HB CYS 34 26.954 22.010 24.340 214 H ASN 35 H ASN 35 24.412 19.400 24.363 215 HA ASN 35 HA ASN 35 25.795 17.044 23.371 216 1HB ASN 35 2HB ASN 35 26.693 16.451 25.601 217 2HB ASN 35 3HB ASN 35 27.494 17.853 24.920 218 1HD2 ASN 35 1HD2 ASN 35 26.780 16.792 27.760 219 2HD2 ASN 35 2HD2 ASN 35 25.567 17.954 28.214 220 H ASP 36 H ASP 36 24.965 15.081 24.571 221 HA ASP 36 HA ASP 36 22.128 15.170 24.630 222 1HB ASP 36 2HB ASP 36 23.778 13.250 24.013 223 2HB ASP 36 3HB ASP 36 23.865 12.940 25.746 224 H GLU 37 H GLU 37 24.447 14.967 27.151 225 HA GLU 37 HA GLU 37 22.503 14.929 29.345 226 1HB GLU 37 2HB GLU 37 24.436 14.628 30.772 227 2HB GLU 37 3HB GLU 37 24.420 13.432 29.447 228 1HG GLU 37 2HG GLU 37 25.940 15.045 28.167 229 2HG GLU 37 3HG GLU 37 26.036 15.962 29.681 230 H TYR 38 H TYR 38 23.235 16.502 31.322 231 HA TYR 38 HA TYR 38 23.851 19.200 30.220 232 1HB TYR 38 2HB TYR 38 22.010 19.272 32.302 233 2HB TYR 38 3HB TYR 38 22.020 19.986 30.648 234 HD1 TYR 38 HD2 TYR 38 21.398 18.341 28.761 235 HD2 TYR 38 HD1 TYR 38 20.495 17.813 32.924 236 HE1 TYR 38 HE2 TYR 38 19.793 16.596 28.150 237 HE2 TYR 38 HE1 TYR 38 18.911 15.965 32.352 238 HH TYR 38 HH TYR 38 18.318 14.457 30.493 239 H ASN 39 H ASN 39 22.941 17.706 33.343 240 HA ASN 39 HA ASN 39 25.324 17.763 34.676 241 1HB ASN 39 2HB ASN 39 24.564 20.437 34.275 242 2HB ASN 39 3HB ASN 39 24.041 20.057 35.907 243 1HD2 ASN 39 1HD2 ASN 39 26.613 21.096 34.121 244 2HD2 ASN 39 2HD2 ASN 39 27.869 20.787 35.332 245 H ILE 40 H ILE 40 25.225 17.837 37.009 246 HA ILE 40 HA ILE 40 23.893 16.017 38.335 247 HB ILE 40 HB ILE 40 25.906 17.281 38.915 248 1HG1 ILE 40 2HG1 ILE 40 25.675 17.526 41.278 249 2HG1 ILE 40 3HG1 ILE 40 23.904 17.615 41.174 250 1HG2 ILE 40 1HG2 ILE 40 24.078 19.453 39.941 251 2HG2 ILE 40 2HG2 ILE 40 25.859 19.484 39.822 252 3HG2 ILE 40 3HG2 ILE 40 24.884 19.519 38.331 253 1HD1 ILE 40 1HD1 ILE 40 25.480 15.251 40.104 254 2HD1 ILE 40 2HD1 ILE 40 24.865 15.292 41.799 255 3HD1 ILE 40 3HD1 ILE 40 23.739 15.347 40.417 256 H ALA 41 H ALA 41 23.077 19.191 38.095 257 HA ALA 41 HA ALA 41 20.324 19.025 39.192 258 1HB ALA 41 1HB ALA 41 21.761 19.905 40.917 259 2HB ALA 41 2HB ALA 41 22.539 21.008 39.769 260 3HB ALA 41 3HB ALA 41 20.855 21.293 40.250 261 H TYR 42 H TYR 42 22.680 20.968 37.618 262 HA TYR 42 HA TYR 42 21.227 22.984 36.269 263 1HB TYR 42 2HB TYR 42 23.988 22.215 35.638 264 2HB TYR 42 3HB TYR 42 23.220 23.778 35.871 265 HD1 TYR 42 HD2 TYR 42 22.191 23.107 38.682 266 HD2 TYR 42 HD1 TYR 42 25.915 23.001 36.609 267 HE1 TYR 42 HE2 TYR 42 23.220 23.834 40.613 268 HE2 TYR 42 HE1 TYR 42 27.123 23.472 38.676 269 HH TYR 42 HH TYR 42 25.361 24.241 41.759 270 H GLU 43 H GLU 43 22.536 23.435 34.132 271 HA GLU 43 HA GLU 43 22.549 21.231 32.225 272 1HB GLU 43 2HB GLU 43 20.642 23.425 32.265 273 2HB GLU 43 3HB GLU 43 21.325 23.085 30.729 274 1HG GLU 43 2HG GLU 43 20.119 20.879 30.757 275 2HG GLU 43 3HG GLU 43 19.448 21.296 32.360 276 H CYS 44 H CYS 44 24.101 21.377 30.923 277 HA CYS 44 HA CYS 44 25.554 23.934 30.512 278 1HB CYS 44 2HB CYS 44 26.269 21.075 29.807 279 2HB CYS 44 3HB CYS 44 27.295 22.487 29.486 280 H CYS 45 H CYS 45 25.398 25.096 28.728 281 HA CYS 45 HA CYS 45 24.272 24.021 26.185 282 1HB CYS 45 2HB CYS 45 23.381 26.661 27.411 283 2HB CYS 45 3HB CYS 45 22.930 25.981 25.837 284 H LYS 46 H LYS 46 24.556 25.818 24.525 285 HA LYS 46 HA LYS 46 26.987 27.450 24.951 286 1HB LYS 46 2HB LYS 46 28.394 26.509 23.682 287 2HB LYS 46 3HB LYS 46 27.437 25.063 24.107 288 1HG LYS 46 2HG LYS 46 27.429 26.674 21.622 289 2HG LYS 46 3HG LYS 46 27.973 24.965 21.867 290 1HD LYS 46 2HD LYS 46 25.983 24.226 21.312 291 2HD LYS 46 3HD LYS 46 25.446 25.009 22.819 292 1HE LYS 46 2HE LYS 46 25.481 27.144 21.283 293 2HE LYS 46 3HE LYS 46 25.111 25.945 20.012 294 1HZ LYS 46 1HZ LYS 46 23.422 27.008 21.993 295 2HZ LYS 46 2HZ LYS 46 23.568 25.418 22.338 296 3HZ LYS 46 3HZ LYS 46 23.040 25.862 20.805 297 H GLN 47 H GLN 47 27.584 28.739 23.124 298 HA GLN 47 HA GLN 47 25.887 29.721 21.054 299 1HB GLN 47 2HB GLN 47 25.963 31.143 23.700 300 2HB GLN 47 3HB GLN 47 26.105 32.122 22.235 301 1HG GLN 47 2HG GLN 47 24.134 31.027 21.323 302 2HG GLN 47 3HG GLN 47 23.794 30.360 22.914 303 1HE2 GLN 47 1HE2 GLN 47 21.754 31.839 21.986 304 2HE2 GLN 47 2HE2 GLN 47 21.875 33.365 22.882 Start of MODEL 20 1 1H GLY 1 H GLY 1 24.507 33.316 33.363 2 1HA GLY 1 2HA GLY 1 25.227 31.850 35.105 3 2HA GLY 1 3HA GLY 1 25.223 30.947 33.588 4 H VAL 2 H VAL 2 26.734 29.548 34.459 5 HA VAL 2 HA VAL 2 29.430 30.414 35.313 6 HB VAL 2 HB VAL 2 28.315 27.825 34.717 7 1HG1 VAL 2 1HG1 VAL 2 30.630 27.442 34.966 8 2HG1 VAL 2 2HG1 VAL 2 30.603 28.248 36.567 9 3HG1 VAL 2 3HG1 VAL 2 29.760 26.692 36.251 10 1HG2 VAL 2 1HG2 VAL 2 28.163 28.968 37.356 11 2HG2 VAL 2 2HG2 VAL 2 26.798 28.642 36.202 12 3HG2 VAL 2 3HG2 VAL 2 27.705 27.266 36.810 13 HA HYP 3 HA HYP 3 30.837 29.328 31.165 14 1HB HYP 3 3HB HYP 3 33.318 29.466 31.166 15 2HB HYP 3 2HB HYP 3 33.405 28.429 32.589 16 1HD HYP 3 3HD HYP 3 31.309 30.839 34.601 17 2HD HYP 3 2HD HYP 3 32.049 29.245 34.827 18 HOD HYP 3 HOD HYP 3 31.812 31.448 31.969 19 HG HYP 3 HG HYP 3 33.836 30.446 33.682 20 H CYS 4 H CYS 4 30.333 27.599 30.011 21 HA CYS 4 HA CYS 4 31.376 24.990 30.848 22 1HB CYS 4 2HB CYS 4 29.329 25.193 32.050 23 2HB CYS 4 3HB CYS 4 28.477 25.486 30.491 24 H ARG 5 H ARG 5 31.874 23.668 29.210 25 HA ARG 5 HA ARG 5 31.888 24.403 26.438 26 1HB ARG 5 2HB ARG 5 32.527 21.984 28.094 27 2HB ARG 5 3HB ARG 5 32.515 21.860 26.271 28 1HG ARG 5 2HG ARG 5 34.286 23.136 26.010 29 2HG ARG 5 3HG ARG 5 34.255 23.817 27.595 30 1HD ARG 5 2HD ARG 5 34.656 20.936 27.122 31 2HD ARG 5 3HD ARG 5 35.988 22.158 27.297 32 HE ARG 5 HE ARG 5 34.435 22.368 29.573 33 1HH1 ARG 5 1HH1 ARG 5 36.515 19.957 28.159 34 2HH1 ARG 5 2HH1 ARG 5 37.461 19.782 29.614 35 1HH2 ARG 5 1HH2 ARG 5 35.500 22.088 31.306 36 2HH2 ARG 5 2HH2 ARG 5 36.826 20.952 31.479 37 H CYS 6 H CYS 6 31.290 22.628 24.993 38 HA CYS 6 HA CYS 6 28.460 21.674 25.199 39 1HB CYS 6 2HB CYS 6 29.591 23.539 23.095 40 2HB CYS 6 3HB CYS 6 27.962 22.796 22.981 41 H ASP 7 H ASP 7 27.905 20.519 22.987 42 HA ASP 7 HA ASP 7 29.394 18.066 22.902 43 1HB ASP 7 2HB ASP 7 27.011 18.269 22.371 44 2HB ASP 7 3HB ASP 7 27.370 19.219 20.930 45 H SER 8 H SER 8 29.521 20.886 20.932 46 HA SER 8 HA SER 8 31.831 19.835 19.346 47 1HB SER 8 2HB SER 8 29.896 20.132 17.895 48 2HB SER 8 3HB SER 8 29.652 21.784 18.497 49 HG SER 8 HG SER 8 31.746 22.271 17.707 50 H ASP 9 H ASP 9 32.364 20.796 21.926 51 HA ASP 9 HA ASP 9 32.715 23.557 22.015 52 1HB ASP 9 2HB ASP 9 33.974 23.215 23.995 53 2HB ASP 9 3HB ASP 9 32.768 21.975 23.943 54 H GLY 10 H GLY 10 34.627 21.195 20.386 55 1HA GLY 10 2HA GLY 10 35.781 22.846 18.542 56 2HA GLY 10 3HA GLY 10 36.986 22.834 19.883 57 HA PRO 11 HA PRO 11 36.622 18.507 17.915 58 1HB PRO 11 2HB PRO 11 35.113 18.292 15.531 59 2HB PRO 11 3HB PRO 11 34.449 18.032 17.173 60 1HG PRO 11 2HG PRO 11 34.566 20.723 15.684 61 2HG PRO 11 3HG PRO 11 33.089 19.878 16.309 62 1HD PRO 11 2HD PRO 11 34.245 21.741 17.695 63 2HD PRO 11 3HD PRO 11 33.907 20.195 18.541 64 H SER 12 H SER 12 37.009 21.359 15.823 65 HA SER 12 HA SER 12 38.749 19.924 13.875 66 1HB SER 12 2HB SER 12 37.827 22.783 13.897 67 2HB SER 12 3HB SER 12 38.600 21.900 12.570 68 HG SER 12 HG SER 12 36.713 20.490 12.631 69 H VAL 13 H VAL 13 39.028 22.006 16.606 70 HA VAL 13 HA VAL 13 41.939 21.861 16.408 71 HB VAL 13 HB VAL 13 41.164 24.639 16.885 72 1HG1 VAL 13 1HG1 VAL 13 42.822 24.999 15.114 73 2HG1 VAL 13 2HG1 VAL 13 43.385 23.739 16.266 74 3HG1 VAL 13 3HG1 VAL 13 42.731 23.264 14.667 75 1HG2 VAL 13 1HG2 VAL 13 40.279 23.624 14.126 76 2HG2 VAL 13 2HG2 VAL 13 39.169 24.101 15.405 77 3HG2 VAL 13 3HG2 VAL 13 40.298 25.320 14.712 78 H HIS 14 H HIS 14 42.886 22.008 18.318 79 HA HIS 14 HA HIS 14 41.521 21.472 20.689 80 1HB HIS 14 2HB HIS 14 43.806 21.902 21.710 81 2HB HIS 14 3HB HIS 14 43.667 20.632 20.490 82 HD1 HIS 14 HD1 HIS 14 44.806 24.290 20.677 83 HD2 HIS 14 HD2 HIS 14 45.192 20.874 18.282 84 HE1 HIS 14 HE1 HIS 14 46.607 24.840 18.894 85 H GLY 15 H GLY 15 40.017 22.942 21.295 86 1HA GLY 15 2HA GLY 15 41.034 25.422 22.616 87 2HA GLY 15 3HA GLY 15 39.731 25.537 21.418 88 H ASN 16 H ASN 16 40.506 24.892 24.698 89 HA ASN 16 HA ASN 16 37.870 23.740 25.378 90 1HB ASN 16 2HB ASN 16 40.500 23.761 26.507 91 2HB ASN 16 3HB ASN 16 39.463 24.523 27.699 92 1HD2 ASN 16 1HD2 ASN 16 39.124 21.818 25.378 93 2HD2 ASN 16 2HD2 ASN 16 38.690 20.636 26.586 94 H THR 17 H THR 17 37.306 25.707 24.163 95 HA THR 17 HA THR 17 36.949 28.122 25.765 96 HB THR 17 HB THR 17 35.776 29.025 23.633 97 HG1 THR 17 HG1 THR 17 35.501 27.008 22.547 98 1HG2 THR 17 1HG2 THR 17 38.660 28.019 23.674 99 2HG2 THR 17 2HG2 THR 17 38.054 29.502 24.477 100 3HG2 THR 17 3HG2 THR 17 38.038 29.385 22.689 101 H LEU 18 H LEU 18 35.807 28.069 27.287 102 HA LEU 18 HA LEU 18 33.108 27.140 27.469 103 1HB LEU 18 2HB LEU 18 34.689 28.778 29.386 104 2HB LEU 18 3HB LEU 18 33.151 27.882 29.676 105 HG LEU 18 HG LEU 18 35.673 26.465 28.765 106 1HD1 LEU 18 1HD1 LEU 18 35.828 25.871 31.100 107 2HD1 LEU 18 2HD1 LEU 18 34.358 26.831 31.414 108 3HD1 LEU 18 3HD1 LEU 18 35.853 27.653 30.880 109 1HD2 LEU 18 1HD2 LEU 18 34.312 24.500 29.565 110 2HD2 LEU 18 2HD2 LEU 18 33.475 25.422 28.317 111 3HD2 LEU 18 3HD2 LEU 18 33.034 25.696 30.022 112 H SER 19 H SER 19 33.067 28.793 25.279 113 HA SER 19 HA SER 19 32.001 31.445 25.847 114 1HB SER 19 2HB SER 19 31.831 29.570 23.445 115 2HB SER 19 3HB SER 19 31.008 31.154 23.484 116 HG SER 19 HG SER 19 32.808 32.127 23.275 117 H GLY 20 H GLY 20 30.755 28.222 25.780 118 1HA GLY 20 2HA GLY 20 27.915 28.754 25.773 119 2HA GLY 20 3HA GLY 20 28.708 27.214 26.184 120 H THR 21 H THR 21 26.688 27.738 27.874 121 HA THR 21 HA THR 21 28.065 28.583 30.346 122 HB THR 21 HB THR 21 25.448 29.866 29.419 123 HG1 THR 21 HG1 THR 21 28.070 30.504 28.960 124 1HG2 THR 21 1HG2 THR 21 27.243 30.640 31.693 125 2HG2 THR 21 2HG2 THR 21 25.656 29.818 31.839 126 3HG2 THR 21 3HG2 THR 21 25.761 31.460 31.120 127 H VAL 22 H VAL 22 27.328 27.544 32.194 128 HA VAL 22 HA VAL 22 25.088 25.767 31.857 129 HB VAL 22 HB VAL 22 26.935 24.631 32.558 130 1HG1 VAL 22 1HG1 VAL 22 28.248 26.279 33.470 131 2HG1 VAL 22 2HG1 VAL 22 27.011 26.318 34.852 132 3HG1 VAL 22 3HG1 VAL 22 28.042 24.908 34.625 133 1HG2 VAL 22 1HG2 VAL 22 25.903 23.489 34.319 134 2HG2 VAL 22 2HG2 VAL 22 25.129 24.974 34.988 135 3HG2 VAL 22 3HG2 VAL 22 24.559 24.208 33.482 136 H TRP 23 H TRP 23 23.517 25.886 32.864 137 HA TRP 23 HA TRP 23 22.722 28.098 34.675 138 1HB TRP 23 2HB TRP 23 20.920 26.746 32.644 139 2HB TRP 23 3HB TRP 23 20.609 28.259 33.512 140 HD1 TRP 23 HD1 TRP 23 22.317 26.780 30.488 141 HE1 TRP 23 HE1 TRP 23 23.352 28.670 29.028 142 HE3 TRP 23 HE3 TRP 23 21.731 30.747 33.638 143 HZ2 TRP 23 HZ2 TRP 23 23.602 31.468 29.151 144 HZ3 TRP 23 HZ3 TRP 23 22.191 33.081 32.867 145 HH2 TRP 23 HH2 TRP 23 23.065 33.431 30.520 146 H VAL 24 H VAL 24 22.436 27.268 36.484 147 HA VAL 24 HA VAL 24 22.084 24.363 36.717 148 HB VAL 24 HB VAL 24 22.735 24.440 38.790 149 1HG1 VAL 24 1HG1 VAL 24 24.170 26.876 37.643 150 2HG1 VAL 24 2HG1 VAL 24 24.879 25.567 38.614 151 3HG1 VAL 24 3HG1 VAL 24 24.317 25.267 36.934 152 1HG2 VAL 24 1HG2 VAL 24 22.592 26.330 40.346 153 2HG2 VAL 24 2HG2 VAL 24 21.841 27.292 39.058 154 3HG2 VAL 24 3HG2 VAL 24 21.007 25.841 39.669 155 H GLY 25 H GLY 25 20.372 23.535 38.117 156 1HA GLY 25 2HA GLY 25 18.166 23.587 38.818 157 2HA GLY 25 3HA GLY 25 18.081 25.294 38.411 158 H SER 26 H SER 26 18.687 25.329 35.729 159 HA SER 26 HA SER 26 18.252 23.591 33.764 160 1HB SER 26 2HB SER 26 15.885 23.358 34.608 161 2HB SER 26 3HB SER 26 15.630 25.035 34.091 162 HG SER 26 HG SER 26 16.518 22.832 32.472 163 H CYS 27 H CYS 27 17.876 24.639 31.608 164 HA CYS 27 HA CYS 27 19.634 26.789 31.006 165 1HB CYS 27 2HB CYS 27 18.524 24.876 29.567 166 2HB CYS 27 3HB CYS 27 17.272 26.073 29.294 167 H ALA 28 H ALA 28 19.505 28.663 30.067 168 HA ALA 28 HA ALA 28 17.712 30.627 31.214 169 1HB ALA 28 1HB ALA 28 20.003 30.657 29.202 170 2HB ALA 28 2HB ALA 28 19.148 32.144 29.740 171 3HB ALA 28 3HB ALA 28 20.037 31.123 30.896 172 H SER 29 H SER 29 15.990 31.516 30.347 173 HA SER 29 HA SER 29 14.133 30.649 28.860 174 1HB SER 29 2HB SER 29 14.857 33.572 28.609 175 2HB SER 29 3HB SER 29 13.244 32.844 28.750 176 HG SER 29 HG SER 29 14.492 33.829 30.705 177 H GLY 30 H GLY 30 16.678 32.490 27.183 178 1HA GLY 30 2HA GLY 30 15.385 31.960 24.524 179 2HA GLY 30 3HA GLY 30 16.542 33.228 24.915 180 H TRP 31 H TRP 31 17.605 30.337 26.210 181 HA TRP 31 HA TRP 31 19.585 29.994 23.971 182 1HB TRP 31 2HB TRP 31 19.772 28.972 26.802 183 2HB TRP 31 3HB TRP 31 20.997 28.892 25.605 184 HD1 TRP 31 HD1 TRP 31 19.247 32.228 26.685 185 HE1 TRP 31 HE1 TRP 31 21.092 33.878 27.242 186 HE3 TRP 31 HE3 TRP 31 23.219 29.116 26.354 187 HZ2 TRP 31 HZ2 TRP 31 23.924 33.905 27.297 188 HZ3 TRP 31 HZ3 TRP 31 25.522 29.919 26.901 189 HH2 TRP 31 HH2 TRP 31 25.923 32.314 27.266 190 H HIS 32 H HIS 32 20.516 27.545 24.150 191 HA HIS 32 HA HIS 32 18.353 25.594 24.558 192 1HB HIS 32 2HB HIS 32 19.637 25.564 21.814 193 2HB HIS 32 3HB HIS 32 18.339 24.572 22.413 194 HD1 HIS 32 HD1 HIS 32 15.938 25.351 21.834 195 HD2 HIS 32 HD2 HIS 32 18.941 28.276 21.478 196 HE1 HIS 32 HE1 HIS 32 14.845 27.388 20.696 197 H LYS 33 H LYS 33 19.089 23.480 24.335 198 HA LYS 33 HA LYS 33 21.557 22.868 25.624 199 1HB LYS 33 2HB LYS 33 19.305 21.290 24.599 200 2HB LYS 33 3HB LYS 33 20.869 20.502 24.273 201 1HG LYS 33 2HG LYS 33 20.265 19.784 26.372 202 2HG LYS 33 3HG LYS 33 21.540 21.010 26.649 203 1HD LYS 33 2HD LYS 33 19.837 22.759 27.018 204 2HD LYS 33 3HD LYS 33 18.501 21.609 26.676 205 1HE LYS 33 2HE LYS 33 20.656 21.304 28.716 206 2HE LYS 33 3HE LYS 33 19.009 21.958 29.083 207 1HZ LYS 33 1HZ LYS 33 19.165 19.524 29.536 208 2HZ LYS 33 2HZ LYS 33 19.655 19.307 27.971 209 3HZ LYS 33 3HZ LYS 33 18.127 19.775 28.254 210 H CYS 34 H CYS 34 23.462 23.177 24.949 211 HA CYS 34 HA CYS 34 24.106 22.913 22.095 212 1HB CYS 34 2HB CYS 34 26.173 23.850 22.693 213 2HB CYS 34 3HB CYS 34 24.899 24.757 23.463 214 H ASN 35 H ASN 35 23.469 20.547 24.442 215 HA ASN 35 HA ASN 35 25.056 18.714 22.923 216 1HB ASN 35 2HB ASN 35 26.373 17.761 24.780 217 2HB ASN 35 3HB ASN 35 26.855 19.411 24.403 218 1HD2 ASN 35 1HD2 ASN 35 24.194 19.840 26.023 219 2HD2 ASN 35 2HD2 ASN 35 24.797 19.513 27.577 220 H ASP 36 H ASP 36 24.667 16.421 23.741 221 HA ASP 36 HA ASP 36 21.855 16.078 24.221 222 1HB ASP 36 2HB ASP 36 23.541 14.563 22.921 223 2HB ASP 36 3HB ASP 36 23.963 13.912 24.513 224 H GLU 37 H GLU 37 24.646 15.910 26.242 225 HA GLU 37 HA GLU 37 23.195 15.051 28.653 226 1HB GLU 37 2HB GLU 37 25.416 14.923 29.659 227 2HB GLU 37 3HB GLU 37 25.298 13.935 28.175 228 1HG GLU 37 2HG GLU 37 26.302 15.850 26.916 229 2HG GLU 37 3HG GLU 37 26.539 16.659 28.478 230 H TYR 38 H TYR 38 24.262 16.610 30.711 231 HA TYR 38 HA TYR 38 24.106 19.433 29.793 232 1HB TYR 38 2HB TYR 38 22.627 18.861 32.212 233 2HB TYR 38 3HB TYR 38 22.219 19.880 30.777 234 HD1 TYR 38 HD2 TYR 38 21.359 18.928 28.849 235 HD2 TYR 38 HD1 TYR 38 21.832 16.701 32.468 236 HE1 TYR 38 HE2 TYR 38 20.019 16.979 27.852 237 HE2 TYR 38 HE1 TYR 38 20.584 14.818 31.568 238 HH TYR 38 HH TYR 38 19.559 13.946 29.634 239 H ASN 39 H ASN 39 24.011 17.549 32.778 240 HA ASN 39 HA ASN 39 26.574 17.893 33.779 241 1HB ASN 39 2HB ASN 39 25.307 20.430 33.779 242 2HB ASN 39 3HB ASN 39 25.127 19.828 35.421 243 1HD2 ASN 39 1HD2 ASN 39 27.235 21.037 33.117 244 2HD2 ASN 39 2HD2 ASN 39 28.719 21.007 34.086 245 H ILE 40 H ILE 40 26.708 17.759 36.120 246 HA ILE 40 HA ILE 40 25.801 15.594 37.338 247 HB ILE 40 HB ILE 40 27.660 17.160 37.857 248 1HG1 ILE 40 2HG1 ILE 40 27.686 17.106 40.233 249 2HG1 ILE 40 3HG1 ILE 40 25.933 16.935 40.326 250 1HG2 ILE 40 1HG2 ILE 40 25.562 18.842 39.236 251 2HG2 ILE 40 2HG2 ILE 40 27.295 19.206 39.050 252 3HG2 ILE 40 3HG2 ILE 40 26.224 19.219 37.614 253 1HD1 ILE 40 1HD1 ILE 40 25.996 14.755 39.333 254 2HD1 ILE 40 2HD1 ILE 40 27.669 14.955 38.823 255 3HD1 ILE 40 3HD1 ILE 40 27.283 14.731 40.561 256 H ALA 41 H ALA 41 24.387 18.558 37.275 257 HA ALA 41 HA ALA 41 21.820 17.889 38.556 258 1HB ALA 41 1HB ALA 41 22.090 19.992 39.984 259 2HB ALA 41 2HB ALA 41 23.199 18.663 40.391 260 3HB ALA 41 3HB ALA 41 23.773 20.019 39.402 261 H TYR 42 H TYR 42 23.858 20.364 37.183 262 HA TYR 42 HA TYR 42 22.062 22.417 36.432 263 1HB TYR 42 2HB TYR 42 24.811 22.022 35.470 264 2HB TYR 42 3HB TYR 42 23.824 23.453 35.827 265 HD1 TYR 42 HD2 TYR 42 23.251 22.048 38.775 266 HD2 TYR 42 HD1 TYR 42 26.337 23.727 36.363 267 HE1 TYR 42 HE2 TYR 42 24.542 22.286 40.733 268 HE2 TYR 42 HE1 TYR 42 27.394 24.582 38.362 269 HH TYR 42 HH TYR 42 26.317 23.547 41.684 270 H GLU 43 H GLU 43 22.786 23.349 34.154 271 HA GLU 43 HA GLU 43 22.940 21.277 32.027 272 1HB GLU 43 2HB GLU 43 20.781 23.337 32.019 273 2HB GLU 43 3HB GLU 43 21.283 22.472 30.660 274 1HG GLU 43 2HG GLU 43 20.164 20.496 31.350 275 2HG GLU 43 3HG GLU 43 20.089 21.021 33.049 276 H CYS 44 H CYS 44 24.253 21.737 30.552 277 HA CYS 44 HA CYS 44 25.309 24.455 30.127 278 1HB CYS 44 2HB CYS 44 26.137 21.708 29.139 279 2HB CYS 44 3HB CYS 44 26.989 23.229 28.741 280 H CYS 45 H CYS 45 24.513 25.770 28.747 281 HA CYS 45 HA CYS 45 23.265 24.906 26.168 282 1HB CYS 45 2HB CYS 45 22.338 27.202 27.917 283 2HB CYS 45 3HB CYS 45 21.730 26.789 26.308 284 H LYS 46 H LYS 46 23.142 26.799 24.728 285 HA LYS 46 HA LYS 46 25.389 28.686 24.996 286 1HB LYS 46 2HB LYS 46 26.647 28.155 23.395 287 2HB LYS 46 3HB LYS 46 26.042 26.549 23.861 288 1HG LYS 46 2HG LYS 46 25.403 28.246 21.537 289 2HG LYS 46 3HG LYS 46 26.132 26.575 21.607 290 1HD LYS 46 2HD LYS 46 24.187 25.689 21.278 291 2HD LYS 46 3HD LYS 46 23.775 26.340 22.876 292 1HE LYS 46 2HE LYS 46 23.389 28.557 21.524 293 2HE LYS 46 3HE LYS 46 22.935 27.399 20.232 294 1HZ LYS 46 1HZ LYS 46 20.939 27.492 21.430 295 2HZ LYS 46 2HZ LYS 46 21.703 27.955 22.836 296 3HZ LYS 46 3HZ LYS 46 21.706 26.384 22.443 297 H GLN 47 H GLN 47 25.550 30.262 23.411 298 HA GLN 47 HA GLN 47 23.548 31.312 21.679 299 1HB GLN 47 2HB GLN 47 23.585 32.125 24.544 300 2HB GLN 47 3HB GLN 47 23.677 33.476 23.417 301 1HG GLN 47 2HG GLN 47 21.722 32.605 22.265 302 2HG GLN 47 3HG GLN 47 21.449 31.484 23.596 303 1HE2 GLN 47 1HE2 GLN 47 19.301 32.808 23.618 304 2HE2 GLN 47 2HE2 GLN 47 19.453 34.138 24.763
Contact the webmaster for help, if required. Saturday, June 8, 2024 11:01:56 AM GMT (wattos1)