NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588725 | 2rux | 11477 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 15.352 23.745 -5.605 2 H2 GLY 1 2H GLY 1 14.322 24.588 -6.559 3 H3 GLY 1 3H GLY 1 15.556 23.744 -7.230 4 HA2 GLY 1 1HA GLY 1 13.264 22.565 -5.797 5 HA3 GLY 1 2HA GLY 1 13.475 22.577 -7.558 6 H SER 2 H SER 2 13.547 20.509 -5.149 7 HA SER 2 HA SER 2 15.812 18.856 -6.182 8 HB2 SER 2 1HB SER 2 15.195 19.371 -3.246 9 HB3 SER 2 2HB SER 2 16.412 18.247 -3.877 10 HG SER 2 HG SER 2 17.318 20.275 -3.274 11 H SER 3 H SER 3 15.621 16.600 -5.789 12 HA SER 3 HA SER 3 13.132 15.506 -4.662 13 HB2 SER 3 1HB SER 3 12.679 15.970 -7.107 14 HB3 SER 3 2HB SER 3 13.954 14.802 -7.503 15 HG SER 3 HG SER 3 11.836 13.864 -7.449 16 H GLY 4 H GLY 4 13.256 13.226 -4.250 17 HA2 GLY 4 1HA GLY 4 15.897 12.365 -3.361 18 HA3 GLY 4 2HA GLY 4 14.376 11.510 -3.139 19 H SER 5 H SER 5 16.913 10.365 -3.832 20 HA SER 5 HA SER 5 16.984 9.614 -6.624 21 HB2 SER 5 1HB SER 5 18.313 8.281 -4.237 22 HB3 SER 5 2HB SER 5 18.769 8.100 -5.938 23 HG SER 5 HG SER 5 19.334 10.307 -5.978 24 H SER 6 H SER 6 15.063 8.449 -4.034 25 HA SER 6 HA SER 6 13.974 6.237 -5.648 26 HB2 SER 6 1HB SER 6 14.162 4.624 -3.802 27 HB3 SER 6 2HB SER 6 15.753 5.148 -4.365 28 HG SER 6 HG SER 6 15.618 5.138 -2.074 29 H GLY 7 H GLY 7 11.992 5.279 -4.525 30 HA2 GLY 7 1HA GLY 7 10.611 6.825 -2.501 31 HA3 GLY 7 2HA GLY 7 10.006 7.183 -4.123 32 H LEU 8 H LEU 8 8.245 6.309 -2.446 33 HA LEU 8 HA LEU 8 7.811 3.399 -2.701 34 HB2 LEU 8 1HB LEU 8 6.081 5.600 -1.512 35 HB3 LEU 8 2HB LEU 8 5.732 3.871 -1.455 36 HG LEU 8 HG LEU 8 8.211 5.136 -0.196 37 HD11 LEU 8 1HD1 LEU 8 6.155 5.953 0.889 38 HD12 LEU 8 2HD1 LEU 8 7.084 4.880 1.946 39 HD13 LEU 8 3HD1 LEU 8 5.623 4.275 1.142 40 HD21 LEU 8 3HD2 LEU 8 8.366 3.007 1.031 41 HD22 LEU 8 1HD2 LEU 8 8.458 2.721 -0.709 42 HD23 LEU 8 2HD2 LEU 8 6.947 2.386 0.166 43 H LEU 9 H LEU 9 6.522 2.462 -4.112 44 HA LEU 9 HA LEU 9 5.767 4.080 -6.491 45 HB2 LEU 9 1HB LEU 9 6.395 1.136 -6.087 46 HB3 LEU 9 2HB LEU 9 5.935 1.846 -7.625 47 HG LEU 9 HG LEU 9 8.446 2.507 -6.015 48 HD11 LEU 9 1HD1 LEU 9 8.074 1.013 -8.644 49 HD12 LEU 9 2HD1 LEU 9 8.468 0.280 -7.074 50 HD13 LEU 9 3HD1 LEU 9 9.623 1.375 -7.848 51 HD21 LEU 9 3HD2 LEU 9 9.173 3.733 -8.062 52 HD22 LEU 9 1HD2 LEU 9 7.786 4.494 -7.285 53 HD23 LEU 9 2HD2 LEU 9 7.548 3.515 -8.752 54 H TYR 10 H TYR 10 4.243 1.926 -4.173 55 HA TYR 10 HA TYR 10 1.693 1.984 -5.757 56 HB2 TYR 10 1HB TYR 10 2.690 -0.165 -3.855 57 HB3 TYR 10 2HB TYR 10 1.175 -0.177 -4.727 58 HD1 TYR 10 1HD TYR 10 4.858 -0.430 -5.093 59 HD2 TYR 10 2HD TYR 10 1.052 -0.682 -7.107 60 HE1 TYR 10 1HE TYR 10 5.990 -1.357 -7.112 61 HE2 TYR 10 2HE TYR 10 2.176 -1.650 -9.107 62 HH TYR 10 HH TYR 10 5.725 -2.158 -9.246 63 H ASP 11 H ASP 11 -0.258 2.346 -4.703 64 HA ASP 11 HA ASP 11 -0.076 3.394 -1.915 65 HB2 ASP 11 1HB ASP 11 -1.273 5.328 -2.524 66 HB3 ASP 11 2HB ASP 11 0.078 5.177 -3.638 67 H CYS 12 H CYS 12 -1.697 3.148 -0.561 68 HA CYS 12 HA CYS 12 -3.941 1.360 -1.110 69 HB2 CYS 12 1HB CYS 12 -2.762 1.314 1.007 70 HB3 CYS 12 2HB CYS 12 -3.066 3.042 1.263 71 H HIS 13 H HIS 13 -5.953 1.939 -1.680 72 HA HIS 13 HA HIS 13 -6.623 4.802 -2.009 73 HB2 HIS 13 1HB HIS 13 -8.441 4.066 -3.413 74 HB3 HIS 13 2HB HIS 13 -6.901 3.410 -3.940 75 HD1 HIS 13 1HD HIS 13 -6.836 0.807 -4.268 76 HD2 HIS 13 2HD HIS 13 -10.163 2.260 -2.143 77 HE1 HIS 13 1HE HIS 13 -8.433 -1.164 -4.005 78 H ILE 14 H ILE 14 -6.858 2.820 0.569 79 HA ILE 14 HA ILE 14 -9.542 3.825 1.453 80 HB ILE 14 HB ILE 14 -7.810 1.761 2.783 81 HG12 ILE 14 1HG1 ILE 14 -8.440 0.882 0.587 82 HG13 ILE 14 2HG1 ILE 14 -9.204 0.020 1.900 83 HG21 ILE 14 1HG2 ILE 14 -9.348 2.728 4.356 84 HG22 ILE 14 2HG2 ILE 14 -10.697 2.613 3.210 85 HG23 ILE 14 3HG2 ILE 14 -9.984 1.146 3.910 86 HD11 ILE 14 3HD1 ILE 14 -10.699 0.339 0.008 87 HD12 ILE 14 1HD1 ILE 14 -11.334 1.101 1.476 88 HD13 ILE 14 2HD1 ILE 14 -10.593 2.106 0.200 89 H CYS 15 H CYS 15 -6.110 3.684 2.431 90 HA CYS 15 HA CYS 15 -6.579 5.840 4.431 91 HB2 CYS 15 1HB CYS 15 -5.362 4.737 6.083 92 HB3 CYS 15 2HB CYS 15 -6.643 3.670 5.512 93 H GLU 16 H GLU 16 -4.938 5.186 1.722 94 HA GLU 16 HA GLU 16 -3.358 6.284 0.592 95 HB2 GLU 16 1HB GLU 16 -4.660 8.131 2.020 96 HB3 GLU 16 2HB GLU 16 -3.044 8.407 2.665 97 HG2 GLU 16 1HG GLU 16 -2.223 8.620 0.256 98 HG3 GLU 16 2HG GLU 16 -3.897 8.446 -0.267 99 H ARG 17 H ARG 17 -2.423 4.562 3.147 100 HA ARG 17 HA ARG 17 0.367 5.271 3.332 101 HB2 ARG 17 1HB ARG 17 -1.295 3.330 4.560 102 HB3 ARG 17 2HB ARG 17 -0.185 2.377 3.590 103 HG2 ARG 17 1HG ARG 17 1.543 4.214 4.796 104 HG3 ARG 17 2HG ARG 17 0.282 4.043 6.009 105 HD2 ARG 17 1HD ARG 17 1.822 2.434 6.621 106 HD3 ARG 17 2HD ARG 17 0.642 1.468 5.723 107 HE ARG 17 HE ARG 17 2.354 1.992 3.726 108 HH11 ARG 17 2HH1 ARG 17 3.180 0.935 6.963 109 HH12 ARG 17 1HH1 ARG 17 4.754 0.379 6.462 110 HH21 ARG 17 2HH2 ARG 17 4.368 1.396 3.192 111 HH22 ARG 17 1HH2 ARG 17 5.402 0.602 4.362 112 H LYS 18 H LYS 18 2.180 4.275 2.364 113 HA LYS 18 HA LYS 18 1.675 3.170 -0.364 114 HB2 LYS 18 1HB LYS 18 3.468 5.468 0.468 115 HB3 LYS 18 2HB LYS 18 3.600 4.643 -1.091 116 HG2 LYS 18 1HG LYS 18 1.475 5.272 -1.819 117 HG3 LYS 18 2HG LYS 18 0.947 5.831 -0.237 118 HD2 LYS 18 1HD LYS 18 3.210 7.117 -1.808 119 HD3 LYS 18 2HD LYS 18 1.534 7.651 -1.918 120 HE2 LYS 18 1HE LYS 18 3.055 7.498 0.720 121 HE3 LYS 18 2HE LYS 18 3.061 8.933 -0.307 122 HZ1 LYS 18 3HZ LYS 18 0.593 7.734 0.873 123 HZ2 LYS 18 1HZ LYS 18 0.650 9.065 -0.076 124 HZ3 LYS 18 2HZ LYS 18 1.342 9.086 1.397 125 H PHE 19 H PHE 19 3.367 2.094 -1.378 126 HA PHE 19 HA PHE 19 5.253 0.642 0.446 127 HB2 PHE 19 1HB PHE 19 3.248 -0.606 -1.455 128 HB3 PHE 19 2HB PHE 19 4.365 -1.459 -0.413 129 HD1 PHE 19 1HD PHE 19 4.015 -1.645 2.015 130 HD2 PHE 19 2HD PHE 19 1.216 0.463 -0.495 131 HE1 PHE 19 1HE PHE 19 2.399 -1.548 3.897 132 HE2 PHE 19 2HE PHE 19 -0.370 0.630 1.418 133 HZ PHE 19 HZ PHE 19 0.231 -0.372 3.615 134 H LYS 20 H LYS 20 6.774 -0.763 -0.594 135 HA LYS 20 HA LYS 20 8.031 0.443 -2.929 136 HB2 LYS 20 1HB LYS 20 8.756 -2.033 -1.296 137 HB3 LYS 20 2HB LYS 20 9.759 -1.309 -2.558 138 HG2 LYS 20 1HG LYS 20 9.898 0.799 -1.246 139 HG3 LYS 20 2HG LYS 20 8.900 0.069 0.020 140 HD2 LYS 20 1HD LYS 20 11.190 -0.024 0.719 141 HD3 LYS 20 2HD LYS 20 10.638 -1.672 0.386 142 HE2 LYS 20 1HE LYS 20 11.765 -1.603 -1.830 143 HE3 LYS 20 2HE LYS 20 12.269 0.065 -1.528 144 HZ1 LYS 20 3HZ LYS 20 13.111 -2.287 0.085 145 HZ2 LYS 20 1HZ LYS 20 13.582 -0.747 0.360 146 HZ3 LYS 20 2HZ LYS 20 14.043 -1.510 -1.005 147 H ASN 21 H ASN 21 6.237 -2.551 -2.365 148 HA ASN 21 HA ASN 21 6.356 -3.154 -5.297 149 HB2 ASN 21 1HB ASN 21 6.060 -5.166 -3.034 150 HB3 ASN 21 2HB ASN 21 6.147 -5.522 -4.751 151 HD21 ASN 21 1HD2 ASN 21 7.942 -4.729 -1.894 152 HD22 ASN 21 2HD2 ASN 21 9.516 -5.101 -2.598 153 H GLU 22 H GLU 22 4.532 -4.157 -6.209 154 HA GLU 22 HA GLU 22 1.956 -3.175 -5.437 155 HB2 GLU 22 1HB GLU 22 2.786 -4.002 -7.748 156 HB3 GLU 22 2HB GLU 22 2.516 -5.634 -7.150 157 HG2 GLU 22 1HG GLU 22 0.128 -5.102 -6.769 158 HG3 GLU 22 2HG GLU 22 0.403 -3.432 -7.260 159 H LEU 23 H LEU 23 3.631 -6.251 -4.874 160 HA LEU 23 HA LEU 23 1.591 -7.723 -3.586 161 HB2 LEU 23 1HB LEU 23 3.630 -8.748 -4.383 162 HB3 LEU 23 2HB LEU 23 4.624 -7.724 -3.344 163 HG LEU 23 HG LEU 23 3.706 -8.836 -1.334 164 HD11 LEU 23 1HD1 LEU 23 1.510 -9.581 -2.137 165 HD12 LEU 23 2HD1 LEU 23 2.451 -10.962 -1.572 166 HD13 LEU 23 3HD1 LEU 23 2.286 -10.664 -3.317 167 HD21 LEU 23 3HD2 LEU 23 4.852 -10.748 -3.404 168 HD22 LEU 23 1HD2 LEU 23 4.886 -10.964 -1.639 169 HD23 LEU 23 2HD2 LEU 23 5.784 -9.628 -2.381 170 H ASP 24 H ASP 24 4.121 -5.620 -2.071 171 HA ASP 24 HA ASP 24 3.322 -6.021 0.616 172 HB2 ASP 24 1HB ASP 24 4.561 -3.594 -0.707 173 HB3 ASP 24 2HB ASP 24 4.470 -3.838 1.040 174 H ARG 25 H ARG 25 2.091 -3.727 -1.751 175 HA ARG 25 HA ARG 25 0.271 -2.375 0.110 176 HB2 ARG 25 1HB ARG 25 1.348 -1.350 -1.919 177 HB3 ARG 25 2HB ARG 25 0.388 -2.337 -2.940 178 HG2 ARG 25 1HG ARG 25 -0.812 -0.387 -0.891 179 HG3 ARG 25 2HG ARG 25 -0.336 0.097 -2.518 180 HD2 ARG 25 1HD ARG 25 -2.533 -1.811 -1.720 181 HD3 ARG 25 2HD ARG 25 -2.684 -0.249 -2.501 182 HE ARG 25 HE ARG 25 -1.396 -2.654 -3.709 183 HH11 ARG 25 2HH1 ARG 25 -2.857 0.462 -4.382 184 HH12 ARG 25 1HH1 ARG 25 -3.230 0.014 -6.028 185 HH21 ARG 25 2HH2 ARG 25 -2.185 -3.257 -5.634 186 HH22 ARG 25 1HH2 ARG 25 -2.751 -2.047 -6.780 187 H ASP 26 H ASP 26 -0.075 -4.874 -2.422 188 HA ASP 26 HA ASP 26 -2.879 -5.111 -2.292 189 HB2 ASP 26 1HB ASP 26 -0.646 -6.945 -3.184 190 HB3 ASP 26 2HB ASP 26 -2.284 -7.549 -3.086 191 H ARG 27 H ARG 27 -0.397 -6.915 -0.357 192 HA ARG 27 HA ARG 27 -2.480 -8.324 1.131 193 HB2 ARG 27 1HB ARG 27 -0.806 -9.149 2.576 194 HB3 ARG 27 2HB ARG 27 -0.297 -9.343 0.901 195 HG2 ARG 27 1HG ARG 27 1.356 -7.654 1.081 196 HG3 ARG 27 2HG ARG 27 0.663 -6.963 2.533 197 HD2 ARG 27 1HD ARG 27 1.193 -9.138 3.739 198 HD3 ARG 27 2HD ARG 27 2.057 -9.676 2.299 199 HE ARG 27 HE ARG 27 2.894 -7.675 4.283 200 HH11 ARG 27 2HH1 ARG 27 3.627 -8.886 1.051 201 HH12 ARG 27 1HH1 ARG 27 5.021 -7.803 0.941 202 HH21 ARG 27 2HH2 ARG 27 4.803 -6.489 4.012 203 HH22 ARG 27 1HH2 ARG 27 5.620 -6.607 2.455 204 H HIS 28 H HIS 28 -1.079 -5.155 1.535 205 HA HIS 28 HA HIS 28 -2.114 -4.753 4.237 206 HB2 HIS 28 1HB HIS 28 -0.381 -3.297 3.602 207 HB3 HIS 28 2HB HIS 28 -1.101 -2.919 2.050 208 HD1 HIS 28 1HD HIS 28 -1.501 -1.990 5.746 209 HD2 HIS 28 2HD HIS 28 -2.993 -1.059 1.925 210 HE1 HIS 28 1HE HIS 28 -2.906 0.100 6.045 211 H MET 29 H MET 29 -3.591 -4.328 0.946 212 HA MET 29 HA MET 29 -5.930 -3.054 1.841 213 HB2 MET 29 1HB MET 29 -5.859 -5.155 -0.352 214 HB3 MET 29 2HB MET 29 -7.025 -3.856 -0.151 215 HG2 MET 29 1HG MET 29 -4.130 -3.650 -0.966 216 HG3 MET 29 2HG MET 29 -5.541 -3.234 -1.911 217 HE1 MET 29 3HE MET 29 -6.913 -1.123 -1.717 218 HE2 MET 29 1HE MET 29 -7.336 -1.379 -0.010 219 HE3 MET 29 2HE MET 29 -6.663 0.182 -0.537 220 H LEU 30 H LEU 30 -5.026 -6.373 2.418 221 HA LEU 30 HA LEU 30 -7.584 -7.500 3.011 222 HB2 LEU 30 1HB LEU 30 -4.896 -8.125 4.290 223 HB3 LEU 30 2HB LEU 30 -6.310 -9.158 4.286 224 HG LEU 30 HG LEU 30 -4.704 -8.375 1.810 225 HD11 LEU 30 1HD1 LEU 30 -3.495 -9.895 3.333 226 HD12 LEU 30 2HD1 LEU 30 -3.953 -10.707 1.827 227 HD13 LEU 30 3HD1 LEU 30 -4.875 -11.015 3.317 228 HD21 LEU 30 3HD2 LEU 30 -5.999 -10.136 0.667 229 HD22 LEU 30 1HD2 LEU 30 -7.036 -8.810 1.201 230 HD23 LEU 30 2HD2 LEU 30 -7.011 -10.337 2.117 231 H VAL 31 H VAL 31 -5.538 -5.309 4.937 232 HA VAL 31 HA VAL 31 -6.883 -5.813 7.446 233 HB VAL 31 HB VAL 31 -5.753 -4.056 8.381 234 HG11 VAL 31 1HG1 VAL 31 -3.455 -4.251 7.784 235 HG12 VAL 31 2HG1 VAL 31 -4.239 -5.832 7.614 236 HG13 VAL 31 3HG1 VAL 31 -3.855 -4.865 6.174 237 HG21 VAL 31 3HG2 VAL 31 -4.566 -2.231 7.117 238 HG22 VAL 31 1HG2 VAL 31 -5.521 -2.696 5.695 239 HG23 VAL 31 2HG2 VAL 31 -6.324 -2.133 7.164 240 H HIS 32 H HIS 32 -7.692 -3.902 4.675 241 HA HIS 32 HA HIS 32 -9.971 -2.546 5.994 242 HB2 HIS 32 1HB HIS 32 -9.088 -2.472 3.088 243 HB3 HIS 32 2HB HIS 32 -10.208 -1.380 3.896 244 HD1 HIS 32 1HD HIS 32 -8.655 -0.334 6.328 245 HD2 HIS 32 2HD HIS 32 -6.942 -1.134 2.572 246 HE1 HIS 32 1HE HIS 32 -6.530 1.051 6.237 247 H GLY 33 H GLY 33 -9.338 -5.056 3.518 248 HA2 GLY 33 1HA GLY 33 -12.007 -5.706 2.825 249 HA3 GLY 33 2HA GLY 33 -10.606 -6.777 2.707 250 H ASP 34 H ASP 34 -10.240 -6.555 5.748 251 HA ASP 34 HA ASP 34 -11.796 -8.721 6.700 252 HB2 ASP 34 1HB ASP 34 -9.646 -7.903 7.642 253 HB3 ASP 34 2HB ASP 34 -10.459 -6.453 8.228 254 H LYS 35 H LYS 35 -12.672 -5.336 6.440 255 HA LYS 35 HA LYS 35 -15.029 -5.596 8.185 256 HB2 LYS 35 1HB LYS 35 -13.562 -3.535 8.093 257 HB3 LYS 35 2HB LYS 35 -14.148 -3.246 6.461 258 HG2 LYS 35 1HG LYS 35 -15.325 -1.843 8.043 259 HG3 LYS 35 2HG LYS 35 -16.465 -2.991 7.344 260 HD2 LYS 35 1HD LYS 35 -16.368 -4.374 9.402 261 HD3 LYS 35 2HD LYS 35 -15.100 -3.327 10.050 262 HE2 LYS 35 1HE LYS 35 -17.154 -2.715 11.113 263 HE3 LYS 35 2HE LYS 35 -16.699 -1.404 10.023 264 HZ1 LYS 35 3HZ LYS 35 -18.725 -3.502 9.419 265 HZ2 LYS 35 1HZ LYS 35 -18.331 -2.265 8.422 266 HZ3 LYS 35 2HZ LYS 35 -19.064 -1.966 9.847 267 H TRP 36 H TRP 36 -15.502 -7.505 6.684 268 HA TRP 36 HA TRP 36 -16.850 -6.935 4.160 269 HB2 TRP 36 1HB TRP 36 -17.351 -9.295 4.112 270 HB3 TRP 36 2HB TRP 36 -15.657 -9.012 4.450 271 HD1 TRP 36 1HD TRP 36 -14.693 -9.871 6.722 272 HE1 TRP 36 1HE TRP 36 -15.546 -11.465 8.543 273 HE3 TRP 36 3HE TRP 36 -19.634 -10.075 5.370 274 HZ2 TRP 36 2HZ TRP 36 -18.043 -12.695 9.300 275 HZ3 TRP 36 3HZ TRP 36 -21.224 -11.490 6.651 276 HH2 TRP 36 2HH TRP 36 -20.444 -12.799 8.616 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 21.534 15.278 5.984 2 H2 GLY 1 2H GLY 1 21.265 14.679 7.487 3 H3 GLY 1 3H GLY 1 20.026 15.320 6.628 4 HA2 GLY 1 1HA GLY 1 20.188 13.572 4.973 5 HA3 GLY 1 2HA GLY 1 21.508 12.871 5.925 6 H SER 2 H SER 2 20.472 10.936 6.365 7 HA SER 2 HA SER 2 19.108 9.426 7.355 8 HB2 SER 2 1HB SER 2 19.114 11.477 9.585 9 HB3 SER 2 2HB SER 2 18.818 9.736 9.747 10 HG SER 2 HG SER 2 20.997 10.290 10.217 11 H SER 3 H SER 3 17.562 11.021 5.601 12 HA SER 3 HA SER 3 14.842 10.927 6.846 13 HB2 SER 3 1HB SER 3 15.936 13.157 5.086 14 HB3 SER 3 2HB SER 3 14.270 13.008 5.666 15 HG SER 3 HG SER 3 16.625 13.383 7.230 16 H GLY 4 H GLY 4 13.106 10.574 5.418 17 HA2 GLY 4 1HA GLY 4 11.992 9.784 3.548 18 HA3 GLY 4 2HA GLY 4 13.401 10.175 2.571 19 H SER 5 H SER 5 12.854 8.220 1.417 20 HA SER 5 HA SER 5 14.213 5.811 2.466 21 HB2 SER 5 1HB SER 5 12.395 4.331 1.897 22 HB3 SER 5 2HB SER 5 11.801 5.549 3.032 23 HG SER 5 HG SER 5 10.334 5.301 1.337 24 H SER 6 H SER 6 14.409 4.103 0.671 25 HA SER 6 HA SER 6 15.603 5.392 -1.626 26 HB2 SER 6 1HB SER 6 16.263 3.084 -2.247 27 HB3 SER 6 2HB SER 6 16.731 3.571 -0.613 28 HG SER 6 HG SER 6 15.895 1.524 -0.523 29 H GLY 7 H GLY 7 12.384 4.374 -1.152 30 HA2 GLY 7 1HA GLY 7 11.397 5.468 -3.402 31 HA3 GLY 7 2HA GLY 7 11.782 3.857 -4.004 32 H LEU 8 H LEU 8 9.257 5.283 -3.730 33 HA LEU 8 HA LEU 8 7.679 3.036 -2.633 34 HB2 LEU 8 1HB LEU 8 7.119 5.993 -2.139 35 HB3 LEU 8 2HB LEU 8 5.955 4.705 -1.849 36 HG LEU 8 HG LEU 8 8.647 4.918 -0.425 37 HD11 LEU 8 1HD1 LEU 8 7.175 6.797 0.153 38 HD12 LEU 8 2HD1 LEU 8 7.360 5.678 1.511 39 HD13 LEU 8 3HD1 LEU 8 5.866 5.660 0.550 40 HD21 LEU 8 3HD2 LEU 8 7.655 3.281 1.138 41 HD22 LEU 8 1HD2 LEU 8 7.739 2.614 -0.496 42 HD23 LEU 8 2HD2 LEU 8 6.188 3.202 0.137 43 H LEU 9 H LEU 9 6.099 2.423 -3.976 44 HA LEU 9 HA LEU 9 5.728 3.955 -6.544 45 HB2 LEU 9 1HB LEU 9 6.381 1.029 -6.056 46 HB3 LEU 9 2HB LEU 9 5.825 1.643 -7.605 47 HG LEU 9 HG LEU 9 8.400 2.484 -6.197 48 HD11 LEU 9 1HD1 LEU 9 9.512 1.193 -7.970 49 HD12 LEU 9 2HD1 LEU 9 7.933 0.705 -8.627 50 HD13 LEU 9 3HD1 LEU 9 8.441 0.158 -7.014 51 HD21 LEU 9 3HD2 LEU 9 8.981 3.503 -8.395 52 HD22 LEU 9 1HD2 LEU 9 7.598 4.301 -7.648 53 HD23 LEU 9 2HD2 LEU 9 7.338 3.152 -8.982 54 H TYR 10 H TYR 10 4.151 1.915 -4.158 55 HA TYR 10 HA TYR 10 1.615 1.985 -5.759 56 HB2 TYR 10 1HB TYR 10 2.607 -0.191 -3.884 57 HB3 TYR 10 2HB TYR 10 1.092 -0.192 -4.762 58 HD1 TYR 10 1HD TYR 10 4.764 -0.497 -5.077 59 HD2 TYR 10 2HD TYR 10 1.001 -0.616 -7.184 60 HE1 TYR 10 1HE TYR 10 5.924 -1.379 -7.099 61 HE2 TYR 10 2HE TYR 10 2.155 -1.546 -9.185 62 HH TYR 10 HH TYR 10 5.697 -2.107 -9.264 63 H ASP 11 H ASP 11 -0.327 2.390 -4.686 64 HA ASP 11 HA ASP 11 -0.098 3.381 -1.884 65 HB2 ASP 11 1HB ASP 11 -1.251 5.367 -2.444 66 HB3 ASP 11 2HB ASP 11 0.121 5.210 -3.530 67 H CYS 12 H CYS 12 -1.772 3.296 -0.557 68 HA CYS 12 HA CYS 12 -4.024 1.491 -1.089 69 HB2 CYS 12 1HB CYS 12 -2.814 1.415 1.019 70 HB3 CYS 12 2HB CYS 12 -3.145 3.136 1.308 71 H HIS 13 H HIS 13 -6.034 2.095 -1.607 72 HA HIS 13 HA HIS 13 -6.705 4.970 -1.867 73 HB2 HIS 13 1HB HIS 13 -8.542 4.243 -3.275 74 HB3 HIS 13 2HB HIS 13 -6.989 3.657 -3.843 75 HD1 HIS 13 1HD HIS 13 -6.785 1.048 -4.172 76 HD2 HIS 13 2HD HIS 13 -10.232 2.352 -2.143 77 HE1 HIS 13 1HE HIS 13 -8.315 -0.983 -3.983 78 H ILE 14 H ILE 14 -6.918 2.889 0.641 79 HA ILE 14 HA ILE 14 -9.609 3.827 1.565 80 HB ILE 14 HB ILE 14 -7.841 1.759 2.833 81 HG12 ILE 14 1HG1 ILE 14 -8.425 0.923 0.614 82 HG13 ILE 14 2HG1 ILE 14 -9.199 0.016 1.891 83 HG21 ILE 14 1HG2 ILE 14 -9.413 2.640 4.422 84 HG22 ILE 14 2HG2 ILE 14 -10.751 2.525 3.261 85 HG23 ILE 14 3HG2 ILE 14 -10.005 1.058 3.922 86 HD11 ILE 14 3HD1 ILE 14 -10.589 2.125 0.218 87 HD12 ILE 14 1HD1 ILE 14 -10.671 0.362 -0.016 88 HD13 ILE 14 2HD1 ILE 14 -11.337 1.083 1.458 89 H CYS 15 H CYS 15 -6.163 3.757 2.503 90 HA CYS 15 HA CYS 15 -6.671 5.830 4.576 91 HB2 CYS 15 1HB CYS 15 -5.379 4.724 6.173 92 HB3 CYS 15 2HB CYS 15 -6.650 3.643 5.612 93 H GLU 16 H GLU 16 -5.123 5.380 1.818 94 HA GLU 16 HA GLU 16 -3.587 6.554 0.697 95 HB2 GLU 16 1HB GLU 16 -4.917 8.291 2.239 96 HB3 GLU 16 2HB GLU 16 -3.294 8.601 2.851 97 HG2 GLU 16 1HG GLU 16 -2.541 8.995 0.466 98 HG3 GLU 16 2HG GLU 16 -4.193 8.684 -0.068 99 H ARG 17 H ARG 17 -2.589 4.677 2.976 100 HA ARG 17 HA ARG 17 0.222 5.390 3.292 101 HB2 ARG 17 1HB ARG 17 -1.340 2.796 3.609 102 HB3 ARG 17 2HB ARG 17 0.412 2.874 3.834 103 HG2 ARG 17 1HG ARG 17 0.191 4.552 5.599 104 HG3 ARG 17 2HG ARG 17 -1.566 4.598 5.365 105 HD2 ARG 17 1HD ARG 17 -1.682 2.179 5.932 106 HD3 ARG 17 2HD ARG 17 0.058 2.152 6.183 107 HE ARG 17 HE ARG 17 -0.163 3.192 8.229 108 HH11 ARG 17 2HH1 ARG 17 -3.367 3.440 6.698 109 HH12 ARG 17 1HH1 ARG 17 -4.068 3.982 8.192 110 HH21 ARG 17 2HH2 ARG 17 -1.187 3.905 10.034 111 HH22 ARG 17 1HH2 ARG 17 -2.892 4.249 10.000 112 H LYS 18 H LYS 18 1.941 4.011 2.481 113 HA LYS 18 HA LYS 18 1.640 3.266 -0.384 114 HB2 LYS 18 1HB LYS 18 3.561 5.408 0.586 115 HB3 LYS 18 2HB LYS 18 3.561 4.674 -1.029 116 HG2 LYS 18 1HG LYS 18 1.210 5.473 -1.352 117 HG3 LYS 18 2HG LYS 18 1.335 6.370 0.167 118 HD2 LYS 18 1HD LYS 18 3.115 6.772 -2.280 119 HD3 LYS 18 2HD LYS 18 1.726 7.774 -1.835 120 HE2 LYS 18 1HE LYS 18 2.840 8.343 0.328 121 HE3 LYS 18 2HE LYS 18 4.257 7.407 -0.168 122 HZ1 LYS 18 3HZ LYS 18 4.508 8.931 -2.062 123 HZ2 LYS 18 1HZ LYS 18 4.543 9.765 -0.659 124 HZ3 LYS 18 2HZ LYS 18 3.205 9.795 -1.591 125 H PHE 19 H PHE 19 3.192 2.011 -1.307 126 HA PHE 19 HA PHE 19 5.068 0.597 0.544 127 HB2 PHE 19 1HB PHE 19 3.145 -0.595 -1.466 128 HB3 PHE 19 2HB PHE 19 4.169 -1.493 -0.368 129 HD1 PHE 19 1HD PHE 19 3.708 -1.550 2.076 130 HD2 PHE 19 2HD PHE 19 1.086 0.529 -0.649 131 HE1 PHE 19 1HE PHE 19 2.021 -1.308 3.880 132 HE2 PHE 19 2HE PHE 19 -0.587 0.790 1.167 133 HZ PHE 19 HZ PHE 19 -0.105 -0.116 3.434 134 H LYS 20 H LYS 20 6.606 -0.791 -0.460 135 HA LYS 20 HA LYS 20 7.989 0.535 -2.646 136 HB2 LYS 20 1HB LYS 20 8.731 -2.036 -1.179 137 HB3 LYS 20 2HB LYS 20 9.771 -1.045 -2.195 138 HG2 LYS 20 1HG LYS 20 9.195 0.879 -0.478 139 HG3 LYS 20 2HG LYS 20 8.629 -0.433 0.550 140 HD2 LYS 20 1HD LYS 20 10.830 -0.052 1.250 141 HD3 LYS 20 2HD LYS 20 10.971 -1.490 0.220 142 HE2 LYS 20 1HE LYS 20 11.693 -0.029 -1.679 143 HE3 LYS 20 2HE LYS 20 11.469 1.397 -0.662 144 HZ1 LYS 20 3HZ LYS 20 13.481 -0.742 -0.233 145 HZ2 LYS 20 1HZ LYS 20 13.201 0.466 0.833 146 HZ3 LYS 20 2HZ LYS 20 13.775 0.820 -0.644 147 H ASN 21 H ASN 21 6.306 -2.567 -2.326 148 HA ASN 21 HA ASN 21 6.422 -2.899 -5.291 149 HB2 ASN 21 1HB ASN 21 6.480 -5.380 -4.912 150 HB3 ASN 21 2HB ASN 21 7.947 -4.563 -4.440 151 HD21 ASN 21 1HD2 ASN 21 8.576 -4.584 -2.241 152 HD22 ASN 21 2HD2 ASN 21 7.551 -5.293 -0.979 153 H GLU 22 H GLU 22 4.724 -4.180 -6.179 154 HA GLU 22 HA GLU 22 2.152 -3.211 -5.483 155 HB2 GLU 22 1HB GLU 22 3.051 -4.014 -7.747 156 HB3 GLU 22 2HB GLU 22 2.797 -5.660 -7.180 157 HG2 GLU 22 1HG GLU 22 0.380 -5.195 -6.913 158 HG3 GLU 22 2HG GLU 22 0.637 -3.512 -7.365 159 H LEU 23 H LEU 23 3.771 -6.251 -4.770 160 HA LEU 23 HA LEU 23 1.632 -7.748 -3.654 161 HB2 LEU 23 1HB LEU 23 3.639 -8.809 -4.367 162 HB3 LEU 23 2HB LEU 23 4.665 -7.782 -3.375 163 HG LEU 23 HG LEU 23 3.747 -8.869 -1.314 164 HD11 LEU 23 1HD1 LEU 23 2.280 -10.688 -3.280 165 HD12 LEU 23 2HD1 LEU 23 1.522 -9.574 -2.120 166 HD13 LEU 23 3HD1 LEU 23 2.437 -10.963 -1.531 167 HD21 LEU 23 3HD2 LEU 23 5.789 -9.726 -2.389 168 HD22 LEU 23 1HD2 LEU 23 4.811 -10.824 -3.392 169 HD23 LEU 23 2HD2 LEU 23 4.863 -11.029 -1.626 170 H ASP 24 H ASP 24 4.051 -5.642 -1.993 171 HA ASP 24 HA ASP 24 3.038 -6.020 0.611 172 HB2 ASP 24 1HB ASP 24 4.825 -3.978 -0.664 173 HB3 ASP 24 2HB ASP 24 4.156 -3.636 0.926 174 H ARG 25 H ARG 25 2.063 -3.697 -1.843 175 HA ARG 25 HA ARG 25 0.122 -2.332 -0.121 176 HB2 ARG 25 1HB ARG 25 1.200 -1.315 -2.122 177 HB3 ARG 25 2HB ARG 25 0.341 -2.417 -3.148 178 HG2 ARG 25 1HG ARG 25 -1.094 -0.498 -1.240 179 HG3 ARG 25 2HG ARG 25 -0.533 0.011 -2.825 180 HD2 ARG 25 1HD ARG 25 -2.657 -2.051 -2.228 181 HD3 ARG 25 2HD ARG 25 -2.848 -0.482 -3.008 182 HE ARG 25 HE ARG 25 -1.112 -1.599 -4.700 183 HH11 ARG 25 2HH1 ARG 25 -4.059 -3.020 -3.498 184 HH12 ARG 25 1HH1 ARG 25 -3.869 -4.462 -4.491 185 HH21 ARG 25 2HH2 ARG 25 -1.053 -3.323 -6.081 186 HH22 ARG 25 1HH2 ARG 25 -2.173 -4.629 -5.870 187 H ASP 26 H ASP 26 -0.101 -4.995 -2.547 188 HA ASP 26 HA ASP 26 -2.898 -5.237 -2.337 189 HB2 ASP 26 1HB ASP 26 -0.709 -7.031 -3.318 190 HB3 ASP 26 2HB ASP 26 -2.177 -7.849 -2.835 191 H ARG 27 H ARG 27 -0.345 -6.917 -0.415 192 HA ARG 27 HA ARG 27 -2.304 -8.314 1.179 193 HB2 ARG 27 1HB ARG 27 -0.582 -9.055 2.599 194 HB3 ARG 27 2HB ARG 27 -0.111 -9.260 0.915 195 HG2 ARG 27 1HG ARG 27 1.508 -7.523 1.044 196 HG3 ARG 27 2HG ARG 27 0.852 -6.874 2.540 197 HD2 ARG 27 1HD ARG 27 1.527 -8.914 3.742 198 HD3 ARG 27 2HD ARG 27 2.066 -9.662 2.227 199 HE ARG 27 HE ARG 27 3.593 -7.330 2.418 200 HH11 ARG 27 2HH1 ARG 27 3.241 -10.170 4.469 201 HH12 ARG 27 1HH1 ARG 27 4.880 -10.031 5.043 202 HH21 ARG 27 2HH2 ARG 27 5.557 -7.246 3.112 203 HH22 ARG 27 1HH2 ARG 27 6.199 -8.384 4.301 204 H HIS 28 H HIS 28 -1.009 -5.085 1.481 205 HA HIS 28 HA HIS 28 -2.019 -4.645 4.168 206 HB2 HIS 28 1HB HIS 28 -0.358 -3.153 3.361 207 HB3 HIS 28 2HB HIS 28 -1.237 -2.824 1.873 208 HD1 HIS 28 1HD HIS 28 -1.532 -2.035 5.640 209 HD2 HIS 28 2HD HIS 28 -3.060 -0.955 1.873 210 HE1 HIS 28 1HE HIS 28 -2.983 0.005 6.046 211 H MET 29 H MET 29 -3.600 -4.302 0.889 212 HA MET 29 HA MET 29 -5.937 -3.090 1.850 213 HB2 MET 29 1HB MET 29 -5.939 -5.198 -0.331 214 HB3 MET 29 2HB MET 29 -7.078 -3.879 -0.098 215 HG2 MET 29 1HG MET 29 -4.235 -3.756 -1.057 216 HG3 MET 29 2HG MET 29 -5.690 -3.281 -1.910 217 HE1 MET 29 3HE MET 29 -7.271 -1.370 0.079 218 HE2 MET 29 1HE MET 29 -6.571 0.179 -0.450 219 HE3 MET 29 2HE MET 29 -6.941 -1.083 -1.645 220 H LEU 30 H LEU 30 -4.956 -6.388 2.398 221 HA LEU 30 HA LEU 30 -7.460 -7.584 3.068 222 HB2 LEU 30 1HB LEU 30 -4.741 -8.093 4.333 223 HB3 LEU 30 2HB LEU 30 -6.119 -9.178 4.339 224 HG LEU 30 HG LEU 30 -4.524 -8.362 1.867 225 HD11 LEU 30 1HD1 LEU 30 -4.651 -11.002 3.378 226 HD12 LEU 30 2HD1 LEU 30 -3.297 -9.850 3.406 227 HD13 LEU 30 3HD1 LEU 30 -3.721 -10.676 1.897 228 HD21 LEU 30 3HD2 LEU 30 -6.837 -8.848 1.232 229 HD22 LEU 30 1HD2 LEU 30 -6.793 -10.370 2.154 230 HD23 LEU 30 2HD2 LEU 30 -5.768 -10.156 0.714 231 H VAL 31 H VAL 31 -5.428 -5.312 4.932 232 HA VAL 31 HA VAL 31 -6.740 -5.794 7.461 233 HB VAL 31 HB VAL 31 -5.627 -4.015 8.351 234 HG11 VAL 31 1HG1 VAL 31 -4.100 -5.790 7.604 235 HG12 VAL 31 2HG1 VAL 31 -3.731 -4.839 6.149 236 HG13 VAL 31 3HG1 VAL 31 -3.328 -4.202 7.748 237 HG21 VAL 31 3HG2 VAL 31 -5.425 -2.684 5.655 238 HG22 VAL 31 1HG2 VAL 31 -6.218 -2.114 7.125 239 HG23 VAL 31 2HG2 VAL 31 -4.460 -2.198 7.063 240 H HIS 32 H HIS 32 -7.672 -4.047 4.670 241 HA HIS 32 HA HIS 32 -9.924 -2.651 6.014 242 HB2 HIS 32 1HB HIS 32 -9.047 -2.558 3.105 243 HB3 HIS 32 2HB HIS 32 -10.186 -1.486 3.911 244 HD1 HIS 32 1HD HIS 32 -8.637 -0.441 6.359 245 HD2 HIS 32 2HD HIS 32 -6.949 -1.141 2.568 246 HE1 HIS 32 1HE HIS 32 -6.564 1.013 6.258 247 H GLY 33 H GLY 33 -9.312 -5.144 3.506 248 HA2 GLY 33 1HA GLY 33 -12.073 -5.600 2.853 249 HA3 GLY 33 2HA GLY 33 -10.694 -6.620 2.430 250 H ASP 34 H ASP 34 -9.955 -7.111 5.271 251 HA ASP 34 HA ASP 34 -12.151 -8.969 6.084 252 HB2 ASP 34 1HB ASP 34 -9.148 -9.382 6.163 253 HB3 ASP 34 2HB ASP 34 -10.329 -10.462 6.895 254 H LYS 35 H LYS 35 -11.883 -6.256 6.983 255 HA LYS 35 HA LYS 35 -10.772 -6.078 9.627 256 HB2 LYS 35 1HB LYS 35 -11.847 -3.905 9.685 257 HB3 LYS 35 2HB LYS 35 -11.124 -4.170 8.101 258 HG2 LYS 35 1HG LYS 35 -13.375 -4.769 7.180 259 HG3 LYS 35 2HG LYS 35 -14.090 -4.460 8.771 260 HD2 LYS 35 1HD LYS 35 -13.398 -2.101 8.669 261 HD3 LYS 35 2HD LYS 35 -12.520 -2.399 7.166 262 HE2 LYS 35 1HE LYS 35 -14.582 -1.335 6.592 263 HE3 LYS 35 2HE LYS 35 -14.643 -3.006 6.027 264 HZ1 LYS 35 3HZ LYS 35 -16.704 -2.289 7.145 265 HZ2 LYS 35 1HZ LYS 35 -15.904 -2.036 8.544 266 HZ3 LYS 35 2HZ LYS 35 -16.037 -3.552 7.927 267 H TRP 36 H TRP 36 -13.507 -7.729 8.721 268 HA TRP 36 HA TRP 36 -15.481 -6.951 10.582 269 HB2 TRP 36 1HB TRP 36 -15.331 -9.651 9.234 270 HB3 TRP 36 2HB TRP 36 -16.759 -8.715 9.658 271 HD1 TRP 36 1HD TRP 36 -14.276 -9.306 6.939 272 HE1 TRP 36 1HE TRP 36 -14.592 -7.730 4.942 273 HE3 TRP 36 3HE TRP 36 -17.821 -6.194 8.941 274 HZ2 TRP 36 2HZ TRP 36 -16.285 -5.493 4.250 275 HZ3 TRP 36 3HZ TRP 36 -18.814 -4.378 7.563 276 HH2 TRP 36 2HH TRP 36 -18.054 -4.018 5.219 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 22.360 1.948 -12.644 2 H2 GLY 1 2H GLY 1 22.479 2.987 -11.385 3 H3 GLY 1 3H GLY 1 23.821 2.562 -12.225 4 HA2 GLY 1 1HA GLY 1 23.153 4.783 -12.843 5 HA3 GLY 1 2HA GLY 1 23.009 3.657 -14.206 6 H SER 2 H SER 2 21.563 5.393 -14.965 7 HA SER 2 HA SER 2 19.579 6.292 -15.506 8 HB2 SER 2 1HB SER 2 18.324 3.837 -14.246 9 HB3 SER 2 2HB SER 2 17.543 4.966 -15.362 10 HG SER 2 HG SER 2 18.375 3.112 -16.437 11 H SER 3 H SER 3 17.353 7.080 -14.742 12 HA SER 3 HA SER 3 17.819 8.688 -12.356 13 HB2 SER 3 1HB SER 3 15.735 9.825 -13.089 14 HB3 SER 3 2HB SER 3 16.979 9.733 -14.347 15 HG SER 3 HG SER 3 14.884 9.161 -15.133 16 H GLY 4 H GLY 4 16.166 5.714 -12.860 17 HA2 GLY 4 1HA GLY 4 14.041 5.966 -10.939 18 HA3 GLY 4 2HA GLY 4 14.694 4.463 -11.578 19 H SER 5 H SER 5 13.811 4.861 -8.921 20 HA SER 5 HA SER 5 16.190 4.017 -7.408 21 HB2 SER 5 1HB SER 5 16.066 6.517 -7.151 22 HB3 SER 5 2HB SER 5 14.465 6.320 -6.413 23 HG SER 5 HG SER 5 16.203 6.426 -4.872 24 H SER 6 H SER 6 15.641 3.024 -5.373 25 HA SER 6 HA SER 6 13.265 1.361 -5.566 26 HB2 SER 6 1HB SER 6 15.473 1.371 -3.482 27 HB3 SER 6 2HB SER 6 14.266 0.094 -3.741 28 HG SER 6 HG SER 6 16.273 -0.363 -4.778 29 H GLY 7 H GLY 7 12.351 3.897 -5.149 30 HA2 GLY 7 1HA GLY 7 11.692 4.446 -2.340 31 HA3 GLY 7 2HA GLY 7 11.138 5.317 -3.765 32 H LEU 8 H LEU 8 9.143 5.383 -2.541 33 HA LEU 8 HA LEU 8 7.491 2.928 -2.483 34 HB2 LEU 8 1HB LEU 8 6.779 5.780 -1.712 35 HB3 LEU 8 2HB LEU 8 5.805 4.336 -1.439 36 HG LEU 8 HG LEU 8 8.510 4.922 -0.149 37 HD11 LEU 8 1HD1 LEU 8 6.635 6.337 0.660 38 HD12 LEU 8 2HD1 LEU 8 7.247 5.228 1.899 39 HD13 LEU 8 3HD1 LEU 8 5.723 4.864 1.065 40 HD21 LEU 8 3HD2 LEU 8 8.160 2.485 -0.408 41 HD22 LEU 8 1HD2 LEU 8 6.557 2.637 0.345 42 HD23 LEU 8 2HD2 LEU 8 8.024 2.971 1.285 43 H LEU 9 H LEU 9 6.089 2.413 -3.967 44 HA LEU 9 HA LEU 9 5.693 4.210 -6.338 45 HB2 LEU 9 1HB LEU 9 6.405 1.261 -6.134 46 HB3 LEU 9 2HB LEU 9 5.882 2.016 -7.628 47 HG LEU 9 HG LEU 9 8.384 2.790 -6.052 48 HD11 LEU 9 1HD1 LEU 9 8.074 1.205 -8.633 49 HD12 LEU 9 2HD1 LEU 9 8.534 0.545 -7.050 50 HD13 LEU 9 3HD1 LEU 9 9.608 1.686 -7.871 51 HD21 LEU 9 3HD2 LEU 9 7.578 4.698 -7.369 52 HD22 LEU 9 1HD2 LEU 9 7.416 3.665 -8.809 53 HD23 LEU 9 2HD2 LEU 9 9.019 4.012 -8.120 54 H TYR 10 H TYR 10 4.169 1.929 -4.180 55 HA TYR 10 HA TYR 10 1.645 1.953 -5.800 56 HB2 TYR 10 1HB TYR 10 2.681 -0.180 -3.897 57 HB3 TYR 10 2HB TYR 10 1.182 -0.241 -4.792 58 HD1 TYR 10 1HD TYR 10 4.880 -0.357 -5.090 59 HD2 TYR 10 2HD TYR 10 1.128 -0.729 -7.185 60 HE1 TYR 10 1HE TYR 10 6.081 -1.251 -7.091 61 HE2 TYR 10 2HE TYR 10 2.316 -1.658 -9.159 62 HH TYR 10 HH TYR 10 4.347 -2.218 -10.074 63 H ASP 11 H ASP 11 -0.292 2.416 -4.789 64 HA ASP 11 HA ASP 11 -0.121 3.369 -1.967 65 HB2 ASP 11 1HB ASP 11 -1.328 5.314 -2.540 66 HB3 ASP 11 2HB ASP 11 0.048 5.186 -3.627 67 H CYS 12 H CYS 12 -1.776 3.226 -0.637 68 HA CYS 12 HA CYS 12 -4.014 1.403 -1.158 69 HB2 CYS 12 1HB CYS 12 -2.815 1.329 0.945 70 HB3 CYS 12 2HB CYS 12 -3.110 3.058 1.221 71 H HIS 13 H HIS 13 -6.036 1.985 -1.656 72 HA HIS 13 HA HIS 13 -6.725 4.852 -1.954 73 HB2 HIS 13 1HB HIS 13 -8.558 4.104 -3.345 74 HB3 HIS 13 2HB HIS 13 -7.012 3.495 -3.908 75 HD1 HIS 13 1HD HIS 13 -6.868 0.893 -4.251 76 HD2 HIS 13 2HD HIS 13 -10.231 2.237 -2.108 77 HE1 HIS 13 1HE HIS 13 -8.409 -1.124 -3.998 78 H ILE 14 H ILE 14 -6.925 2.796 0.581 79 HA ILE 14 HA ILE 14 -9.612 3.745 1.507 80 HB ILE 14 HB ILE 14 -7.829 1.694 2.790 81 HG12 ILE 14 1HG1 ILE 14 -8.465 0.838 0.587 82 HG13 ILE 14 2HG1 ILE 14 -9.199 -0.059 1.895 83 HG21 ILE 14 1HG2 ILE 14 -10.726 2.489 3.258 84 HG22 ILE 14 2HG2 ILE 14 -9.982 1.024 3.927 85 HG23 ILE 14 3HG2 ILE 14 -9.367 2.607 4.393 86 HD11 ILE 14 3HD1 ILE 14 -10.643 2.026 0.240 87 HD12 ILE 14 1HD1 ILE 14 -10.721 0.260 0.024 88 HD13 ILE 14 2HD1 ILE 14 -11.353 0.990 1.509 89 H CYS 15 H CYS 15 -6.168 3.668 2.439 90 HA CYS 15 HA CYS 15 -6.655 5.769 4.488 91 HB2 CYS 15 1HB CYS 15 -5.432 4.643 6.115 92 HB3 CYS 15 2HB CYS 15 -6.703 3.572 5.522 93 H GLU 16 H GLU 16 -5.080 5.266 1.759 94 HA GLU 16 HA GLU 16 -3.525 6.417 0.645 95 HB2 GLU 16 1HB GLU 16 -4.842 8.173 2.175 96 HB3 GLU 16 2HB GLU 16 -3.218 8.469 2.791 97 HG2 GLU 16 1HG GLU 16 -2.453 8.854 0.410 98 HG3 GLU 16 2HG GLU 16 -4.103 8.549 -0.133 99 H ARG 17 H ARG 17 -2.541 4.553 2.956 100 HA ARG 17 HA ARG 17 0.273 5.236 3.266 101 HB2 ARG 17 1HB ARG 17 -1.490 2.860 3.792 102 HB3 ARG 17 2HB ARG 17 0.215 2.506 3.519 103 HG2 ARG 17 1HG ARG 17 0.950 3.916 5.283 104 HG3 ARG 17 2HG ARG 17 -0.653 4.631 5.513 105 HD2 ARG 17 1HD ARG 17 -0.213 1.641 5.836 106 HD3 ARG 17 2HD ARG 17 0.174 2.771 7.129 107 HE ARG 17 HE ARG 17 -2.541 2.912 5.881 108 HH11 ARG 17 2HH2 ARG 17 -0.768 2.123 8.813 109 HH12 ARG 17 1HH2 ARG 17 -2.225 2.156 9.771 110 HH21 ARG 17 1HH1 ARG 17 -4.252 2.895 7.065 111 HH22 ARG 17 2HH1 ARG 17 -4.193 2.603 8.801 112 H LYS 18 H LYS 18 2.059 4.119 2.372 113 HA LYS 18 HA LYS 18 1.694 3.257 -0.451 114 HB2 LYS 18 1HB LYS 18 3.580 5.466 0.439 115 HB3 LYS 18 2HB LYS 18 3.523 4.724 -1.172 116 HG2 LYS 18 1HG LYS 18 1.189 5.476 -1.453 117 HG3 LYS 18 2HG LYS 18 1.266 6.320 0.099 118 HD2 LYS 18 1HD LYS 18 3.102 6.885 -2.270 119 HD3 LYS 18 2HD LYS 18 1.624 7.787 -1.895 120 HE2 LYS 18 1HE LYS 18 2.570 8.386 0.338 121 HE3 LYS 18 2HE LYS 18 4.070 7.548 -0.082 122 HZ1 LYS 18 3HZ LYS 18 4.236 9.928 -0.522 123 HZ2 LYS 18 1HZ LYS 18 2.961 9.893 -1.535 124 HZ3 LYS 18 2HZ LYS 18 4.343 9.119 -1.934 125 H PHE 19 H PHE 19 3.290 2.056 -1.384 126 HA PHE 19 HA PHE 19 5.205 0.680 0.464 127 HB2 PHE 19 1HB PHE 19 3.213 -0.577 -1.440 128 HB3 PHE 19 2HB PHE 19 4.318 -1.440 -0.399 129 HD1 PHE 19 1HD PHE 19 4.022 -1.499 2.073 130 HD2 PHE 19 2HD PHE 19 1.161 0.436 -0.505 131 HE1 PHE 19 1HE PHE 19 2.426 -1.336 3.969 132 HE2 PHE 19 2HE PHE 19 -0.423 0.638 1.409 133 HZ PHE 19 HZ PHE 19 0.220 -0.245 3.649 134 H LYS 20 H LYS 20 6.779 -0.668 -0.537 135 HA LYS 20 HA LYS 20 8.022 0.541 -2.858 136 HB2 LYS 20 1HB LYS 20 8.748 -1.976 -1.286 137 HB3 LYS 20 2HB LYS 20 9.761 -1.200 -2.507 138 HG2 LYS 20 1HG LYS 20 9.846 0.869 -1.112 139 HG3 LYS 20 2HG LYS 20 8.849 0.063 0.111 140 HD2 LYS 20 1HD LYS 20 11.123 -0.011 0.837 141 HD3 LYS 20 2HD LYS 20 10.617 -1.656 0.419 142 HE2 LYS 20 1HE LYS 20 11.781 -1.457 -1.767 143 HE3 LYS 20 2HE LYS 20 12.227 0.212 -1.385 144 HZ1 LYS 20 3HZ LYS 20 14.042 -1.334 -0.897 145 HZ2 LYS 20 1HZ LYS 20 13.116 -2.177 0.149 146 HZ3 LYS 20 2HZ LYS 20 13.536 -0.633 0.486 147 H ASN 21 H ASN 21 6.223 -2.442 -2.368 148 HA ASN 21 HA ASN 21 6.399 -3.036 -5.297 149 HB2 ASN 21 1HB ASN 21 6.130 -5.084 -3.066 150 HB3 ASN 21 2HB ASN 21 6.305 -5.407 -4.784 151 HD21 ASN 21 1HD2 ASN 21 7.933 -4.723 -1.831 152 HD22 ASN 21 2HD2 ASN 21 9.560 -4.924 -2.484 153 H GLU 22 H GLU 22 4.622 -4.099 -6.221 154 HA GLU 22 HA GLU 22 2.014 -3.176 -5.501 155 HB2 GLU 22 1HB GLU 22 2.913 -3.998 -7.787 156 HB3 GLU 22 2HB GLU 22 2.650 -5.630 -7.189 157 HG2 GLU 22 1HG GLU 22 0.245 -5.120 -6.862 158 HG3 GLU 22 2HG GLU 22 0.515 -3.453 -7.369 159 H LEU 23 H LEU 23 3.745 -6.205 -4.880 160 HA LEU 23 HA LEU 23 1.704 -7.718 -3.636 161 HB2 LEU 23 1HB LEU 23 3.741 -8.728 -4.382 162 HB3 LEU 23 2HB LEU 23 4.730 -7.670 -3.370 163 HG LEU 23 HG LEU 23 3.836 -8.764 -1.327 164 HD11 LEU 23 1HD1 LEU 23 2.445 -10.648 -3.281 165 HD12 LEU 23 2HD1 LEU 23 1.649 -9.553 -2.125 166 HD13 LEU 23 3HD1 LEU 23 2.611 -10.907 -1.528 167 HD21 LEU 23 3HD2 LEU 23 5.007 -10.684 -3.377 168 HD22 LEU 23 1HD2 LEU 23 5.050 -10.874 -1.608 169 HD23 LEU 23 2HD2 LEU 23 5.922 -9.535 -2.372 170 H ASP 24 H ASP 24 4.188 -5.597 -2.047 171 HA ASP 24 HA ASP 24 3.310 -6.041 0.606 172 HB2 ASP 24 1HB ASP 24 4.655 -3.640 -0.676 173 HB3 ASP 24 2HB ASP 24 4.406 -3.798 1.065 174 H ARG 25 H ARG 25 2.157 -3.688 -1.772 175 HA ARG 25 HA ARG 25 0.288 -2.359 0.047 176 HB2 ARG 25 1HB ARG 25 1.355 -1.349 -2.000 177 HB3 ARG 25 2HB ARG 25 0.391 -2.365 -3.001 178 HG2 ARG 25 1HG ARG 25 -0.809 -0.406 -0.956 179 HG3 ARG 25 2HG ARG 25 -0.349 0.079 -2.589 180 HD2 ARG 25 1HD ARG 25 -2.517 -1.853 -1.769 181 HD3 ARG 25 2HD ARG 25 -2.695 -0.294 -2.546 182 HE ARG 25 HE ARG 25 -1.383 -2.679 -3.764 183 HH11 ARG 25 2HH1 ARG 25 -2.882 0.420 -4.425 184 HH12 ARG 25 1HH1 ARG 25 -3.263 -0.029 -6.070 185 HH21 ARG 25 2HH2 ARG 25 -2.178 -3.290 -5.683 186 HH22 ARG 25 1HH2 ARG 25 -2.767 -2.086 -6.827 187 H ASP 26 H ASP 26 -0.026 -4.883 -2.472 188 HA ASP 26 HA ASP 26 -2.834 -5.166 -2.303 189 HB2 ASP 26 1HB ASP 26 -0.586 -6.984 -3.220 190 HB3 ASP 26 2HB ASP 26 -2.233 -7.572 -3.135 191 H ARG 27 H ARG 27 -0.274 -6.849 -0.391 192 HA ARG 27 HA ARG 27 -2.230 -8.344 1.170 193 HB2 ARG 27 1HB ARG 27 -0.522 -9.057 2.577 194 HB3 ARG 27 2HB ARG 27 -0.073 -9.256 0.885 195 HG2 ARG 27 1HG ARG 27 1.445 -7.396 0.978 196 HG3 ARG 27 2HG ARG 27 0.899 -6.899 2.568 197 HD2 ARG 27 1HD ARG 27 2.039 -9.641 1.968 198 HD3 ARG 27 2HD ARG 27 3.090 -8.264 2.385 199 HE ARG 27 HE ARG 27 1.122 -8.441 4.404 200 HH11 ARG 27 2HH1 ARG 27 3.816 -10.402 3.320 201 HH12 ARG 27 1HH1 ARG 27 4.054 -11.110 4.897 202 HH21 ARG 27 2HH2 ARG 27 1.477 -9.386 6.386 203 HH22 ARG 27 1HH2 ARG 27 2.762 -10.541 6.581 204 H HIS 28 H HIS 28 -0.939 -5.088 1.530 205 HA HIS 28 HA HIS 28 -2.000 -4.700 4.217 206 HB2 HIS 28 1HB HIS 28 -0.295 -3.221 3.552 207 HB3 HIS 28 2HB HIS 28 -1.035 -2.874 2.000 208 HD1 HIS 28 1HD HIS 28 -1.517 -1.992 5.707 209 HD2 HIS 28 2HD HIS 28 -2.928 -1.041 1.861 210 HE1 HIS 28 1HE HIS 28 -3.010 0.034 6.003 211 H MET 29 H MET 29 -3.483 -4.288 0.915 212 HA MET 29 HA MET 29 -5.842 -3.074 1.806 213 HB2 MET 29 1HB MET 29 -5.715 -5.175 -0.391 214 HB3 MET 29 2HB MET 29 -6.931 -3.920 -0.182 215 HG2 MET 29 1HG MET 29 -4.057 -3.610 -1.015 216 HG3 MET 29 2HG MET 29 -5.490 -3.222 -1.938 217 HE1 MET 29 3HE MET 29 -6.897 -1.144 -1.731 218 HE2 MET 29 1HE MET 29 -7.316 -1.432 -0.028 219 HE3 MET 29 2HE MET 29 -6.679 0.152 -0.536 220 H LEU 30 H LEU 30 -4.903 -6.386 2.353 221 HA LEU 30 HA LEU 30 -7.424 -7.576 2.934 222 HB2 LEU 30 1HB LEU 30 -4.735 -8.107 4.255 223 HB3 LEU 30 2HB LEU 30 -6.110 -9.191 4.233 224 HG LEU 30 HG LEU 30 -4.504 -8.357 1.775 225 HD11 LEU 30 1HD1 LEU 30 -3.243 -9.813 3.319 226 HD12 LEU 30 2HD1 LEU 30 -3.649 -10.653 1.815 227 HD13 LEU 30 3HD1 LEU 30 -4.573 -10.991 3.299 228 HD21 LEU 30 3HD2 LEU 30 -5.707 -10.181 0.633 229 HD22 LEU 30 1HD2 LEU 30 -6.811 -8.900 1.150 230 HD23 LEU 30 2HD2 LEU 30 -6.723 -10.419 2.078 231 H VAL 31 H VAL 31 -5.476 -5.323 4.885 232 HA VAL 31 HA VAL 31 -6.768 -5.927 7.396 233 HB VAL 31 HB VAL 31 -5.670 -4.148 8.350 234 HG11 VAL 31 1HG1 VAL 31 -4.145 -5.910 7.570 235 HG12 VAL 31 2HG1 VAL 31 -3.782 -4.941 6.127 236 HG13 VAL 31 3HG1 VAL 31 -3.370 -4.325 7.733 237 HG21 VAL 31 3HG2 VAL 31 -6.255 -2.221 7.155 238 HG22 VAL 31 1HG2 VAL 31 -4.496 -2.312 7.073 239 HG23 VAL 31 2HG2 VAL 31 -5.479 -2.776 5.669 240 H HIS 32 H HIS 32 -7.732 -4.022 4.696 241 HA HIS 32 HA HIS 32 -9.819 -2.528 6.141 242 HB2 HIS 32 1HB HIS 32 -9.101 -2.606 3.189 243 HB3 HIS 32 2HB HIS 32 -10.191 -1.464 3.971 244 HD1 HIS 32 1HD HIS 32 -8.578 -0.403 6.367 245 HD2 HIS 32 2HD HIS 32 -6.973 -1.251 2.574 246 HE1 HIS 32 1HE HIS 32 -6.459 0.971 6.207 247 H GLY 33 H GLY 33 -9.618 -5.608 4.705 248 HA2 GLY 33 1HA GLY 33 -11.217 -7.259 4.476 249 HA3 GLY 33 2HA GLY 33 -12.398 -6.176 5.209 250 H ASP 34 H ASP 34 -14.029 -5.645 3.939 251 HA ASP 34 HA ASP 34 -15.472 -5.393 2.272 252 HB2 ASP 34 1HB ASP 34 -13.933 -3.519 1.783 253 HB3 ASP 34 2HB ASP 34 -13.107 -4.526 0.594 254 H LYS 35 H LYS 35 -12.840 -7.513 1.352 255 HA LYS 35 HA LYS 35 -14.206 -8.866 -0.808 256 HB2 LYS 35 1HB LYS 35 -12.420 -10.499 -0.630 257 HB3 LYS 35 2HB LYS 35 -11.763 -8.865 -0.570 258 HG2 LYS 35 1HG LYS 35 -11.480 -9.010 1.869 259 HG3 LYS 35 2HG LYS 35 -12.251 -10.595 1.904 260 HD2 LYS 35 1HD LYS 35 -9.676 -10.012 0.390 261 HD3 LYS 35 2HD LYS 35 -9.741 -10.608 2.057 262 HE2 LYS 35 1HE LYS 35 -11.033 -12.594 1.314 263 HE3 LYS 35 2HE LYS 35 -10.944 -12.033 -0.359 264 HZ1 LYS 35 3HZ LYS 35 -9.216 -13.662 0.113 265 HZ2 LYS 35 1HZ LYS 35 -8.603 -12.752 1.322 266 HZ3 LYS 35 2HZ LYS 35 -8.518 -12.227 -0.227 267 H TRP 36 H TRP 36 -14.765 -9.026 2.536 268 HA TRP 36 HA TRP 36 -15.487 -11.852 2.666 269 HB2 TRP 36 1HB TRP 36 -15.707 -9.726 4.798 270 HB3 TRP 36 2HB TRP 36 -15.783 -11.467 5.022 271 HD1 TRP 36 1HD TRP 36 -13.510 -8.764 5.468 272 HE1 TRP 36 1HE TRP 36 -11.040 -9.492 5.577 273 HE3 TRP 36 3HE TRP 36 -13.973 -13.473 3.511 274 HZ2 TRP 36 2HZ TRP 36 -9.475 -11.797 4.851 275 HZ3 TRP 36 3HZ TRP 36 -11.971 -14.911 3.218 276 HH2 TRP 36 2HH TRP 36 -9.722 -14.091 3.891 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 15.134 19.055 -9.762 2 H2 GLY 1 2H GLY 1 13.989 20.066 -10.355 3 H3 GLY 1 3H GLY 1 13.547 18.675 -9.612 4 HA2 GLY 1 1HA GLY 1 14.891 20.950 -8.303 5 HA3 GLY 1 2HA GLY 1 13.167 20.563 -8.160 6 H SER 2 H SER 2 15.626 20.591 -6.254 7 HA SER 2 HA SER 2 16.273 17.974 -5.470 8 HB2 SER 2 1HB SER 2 16.302 20.483 -3.755 9 HB3 SER 2 2HB SER 2 17.256 19.008 -3.501 10 HG SER 2 HG SER 2 18.464 20.640 -4.579 11 H SER 3 H SER 3 13.337 19.658 -4.714 12 HA SER 3 HA SER 3 12.692 18.312 -2.248 13 HB2 SER 3 1HB SER 3 10.840 19.671 -4.238 14 HB3 SER 3 2HB SER 3 10.490 19.301 -2.538 15 HG SER 3 HG SER 3 11.154 21.481 -2.826 16 H GLY 4 H GLY 4 12.746 17.034 -5.408 17 HA2 GLY 4 1HA GLY 4 10.419 15.354 -5.409 18 HA3 GLY 4 2HA GLY 4 11.866 15.135 -6.385 19 H SER 5 H SER 5 10.339 13.031 -5.307 20 HA SER 5 HA SER 5 12.320 11.621 -3.605 21 HB2 SER 5 1HB SER 5 10.565 10.801 -2.108 22 HB3 SER 5 2HB SER 5 10.701 12.565 -2.041 23 HG SER 5 HG SER 5 8.516 11.892 -2.165 24 H SER 6 H SER 6 11.916 9.285 -3.457 25 HA SER 6 HA SER 6 10.340 7.993 -5.576 26 HB2 SER 6 1HB SER 6 12.524 8.789 -6.626 27 HB3 SER 6 2HB SER 6 13.363 7.652 -5.555 28 HG SER 6 HG SER 6 12.845 6.793 -7.662 29 H GLY 7 H GLY 7 11.124 5.530 -5.571 30 HA2 GLY 7 1HA GLY 7 11.670 3.569 -4.420 31 HA3 GLY 7 2HA GLY 7 11.808 4.472 -2.906 32 H LEU 8 H LEU 8 8.900 5.464 -3.855 33 HA LEU 8 HA LEU 8 7.386 3.059 -2.919 34 HB2 LEU 8 1HB LEU 8 6.862 5.976 -2.256 35 HB3 LEU 8 2HB LEU 8 5.787 4.637 -1.856 36 HG LEU 8 HG LEU 8 8.653 4.897 -0.824 37 HD11 LEU 8 1HD1 LEU 8 7.644 5.537 1.300 38 HD12 LEU 8 2HD1 LEU 8 6.020 5.488 0.574 39 HD13 LEU 8 3HD1 LEU 8 7.216 6.691 0.028 40 HD21 LEU 8 3HD2 LEU 8 7.953 3.177 0.811 41 HD22 LEU 8 1HD2 LEU 8 7.853 2.554 -0.839 42 HD23 LEU 8 2HD2 LEU 8 6.373 3.055 0.013 43 H LEU 9 H LEU 9 6.033 2.332 -4.297 44 HA LEU 9 HA LEU 9 5.343 3.944 -6.742 45 HB2 LEU 9 1HB LEU 9 6.083 1.023 -6.350 46 HB3 LEU 9 2HB LEU 9 5.480 1.681 -7.861 47 HG LEU 9 HG LEU 9 8.075 2.503 -6.470 48 HD11 LEU 9 1HD1 LEU 9 8.130 0.220 -7.394 49 HD12 LEU 9 2HD1 LEU 9 9.172 1.314 -8.317 50 HD13 LEU 9 3HD1 LEU 9 7.588 0.836 -8.972 51 HD21 LEU 9 3HD2 LEU 9 7.228 4.380 -7.802 52 HD22 LEU 9 1HD2 LEU 9 6.950 3.302 -9.191 53 HD23 LEU 9 2HD2 LEU 9 8.602 3.639 -8.623 54 H TYR 10 H TYR 10 3.997 1.825 -4.306 55 HA TYR 10 HA TYR 10 1.369 1.769 -5.754 56 HB2 TYR 10 1HB TYR 10 2.546 -0.305 -3.872 57 HB3 TYR 10 2HB TYR 10 0.983 -0.388 -4.644 58 HD1 TYR 10 1HD TYR 10 4.638 -0.553 -5.216 59 HD2 TYR 10 2HD TYR 10 0.740 -0.901 -7.030 60 HE1 TYR 10 1HE TYR 10 5.685 -1.473 -7.284 61 HE2 TYR 10 2HE TYR 10 1.782 -1.858 -9.080 62 HH TYR 10 HH TYR 10 5.329 -2.291 -9.397 63 H ASP 11 H ASP 11 -0.483 2.287 -4.660 64 HA ASP 11 HA ASP 11 -0.174 3.275 -1.862 65 HB2 ASP 11 1HB ASP 11 -1.347 5.249 -2.396 66 HB3 ASP 11 2HB ASP 11 -0.031 5.084 -3.548 67 H CYS 12 H CYS 12 -1.817 3.229 -0.495 68 HA CYS 12 HA CYS 12 -4.147 1.484 -0.981 69 HB2 CYS 12 1HB CYS 12 -2.861 1.269 1.080 70 HB3 CYS 12 2HB CYS 12 -3.078 2.996 1.430 71 H HIS 13 H HIS 13 -6.058 2.295 -1.657 72 HA HIS 13 HA HIS 13 -6.485 5.204 -1.777 73 HB2 HIS 13 1HB HIS 13 -8.322 4.763 -3.191 74 HB3 HIS 13 2HB HIS 13 -6.987 3.747 -3.708 75 HD1 HIS 13 1HD HIS 13 -10.387 3.447 -1.886 76 HD2 HIS 13 2HD HIS 13 -7.444 1.138 -3.809 77 HE1 HIS 13 1HE HIS 13 -11.370 1.102 -2.151 78 H ILE 14 H ILE 14 -6.894 3.072 0.689 79 HA ILE 14 HA ILE 14 -9.509 4.153 1.635 80 HB ILE 14 HB ILE 14 -7.912 1.797 2.700 81 HG12 ILE 14 1HG1 ILE 14 -10.022 0.583 1.680 82 HG13 ILE 14 2HG1 ILE 14 -10.050 1.940 0.558 83 HG21 ILE 14 1HG2 ILE 14 -10.034 1.208 3.810 84 HG22 ILE 14 2HG2 ILE 14 -9.436 2.766 4.367 85 HG23 ILE 14 3HG2 ILE 14 -10.775 2.700 3.194 86 HD11 ILE 14 3HD1 ILE 14 -8.884 -0.082 -0.275 87 HD12 ILE 14 1HD1 ILE 14 -7.774 1.294 -0.205 88 HD13 ILE 14 2HD1 ILE 14 -7.716 0.035 1.048 89 H CYS 15 H CYS 15 -6.140 3.728 2.678 90 HA CYS 15 HA CYS 15 -6.541 5.836 4.751 91 HB2 CYS 15 1HB CYS 15 -5.322 4.663 6.353 92 HB3 CYS 15 2HB CYS 15 -6.621 3.625 5.762 93 H GLU 16 H GLU 16 -5.023 5.384 2.002 94 HA GLU 16 HA GLU 16 -3.487 6.561 0.892 95 HB2 GLU 16 1HB GLU 16 -4.738 8.279 2.542 96 HB3 GLU 16 2HB GLU 16 -3.078 8.556 3.067 97 HG2 GLU 16 1HG GLU 16 -2.455 8.963 0.646 98 HG3 GLU 16 2HG GLU 16 -4.142 8.689 0.206 99 H ARG 17 H ARG 17 -2.464 4.597 3.081 100 HA ARG 17 HA ARG 17 0.372 5.257 3.326 101 HB2 ARG 17 1HB ARG 17 -1.389 2.874 3.869 102 HB3 ARG 17 2HB ARG 17 0.323 2.549 3.594 103 HG2 ARG 17 1HG ARG 17 1.032 3.982 5.354 104 HG3 ARG 17 2HG ARG 17 -0.586 4.662 5.587 105 HD2 ARG 17 1HD ARG 17 -0.097 1.681 5.909 106 HD3 ARG 17 2HD ARG 17 0.310 2.816 7.193 107 HE ARG 17 HE ARG 17 -2.437 2.933 6.010 108 HH11 ARG 17 2HH1 ARG 17 -0.583 2.149 8.894 109 HH12 ARG 17 1HH1 ARG 17 -2.016 2.165 9.888 110 HH21 ARG 17 2HH2 ARG 17 -4.120 2.893 7.239 111 HH22 ARG 17 1HH2 ARG 17 -4.012 2.592 8.970 112 H LYS 18 H LYS 18 2.103 4.116 2.378 113 HA LYS 18 HA LYS 18 1.666 3.261 -0.437 114 HB2 LYS 18 1HB LYS 18 3.603 5.452 0.382 115 HB3 LYS 18 2HB LYS 18 3.461 4.717 -1.224 116 HG2 LYS 18 1HG LYS 18 1.101 5.496 -1.362 117 HG3 LYS 18 2HG LYS 18 1.316 6.372 0.159 118 HD2 LYS 18 1HD LYS 18 2.942 6.840 -2.380 119 HD3 LYS 18 2HD LYS 18 1.552 7.804 -1.860 120 HE2 LYS 18 1HE LYS 18 2.757 8.382 0.252 121 HE3 LYS 18 2HE LYS 18 4.169 7.484 -0.321 122 HZ1 LYS 18 3HZ LYS 18 4.293 9.029 -2.213 123 HZ2 LYS 18 1HZ LYS 18 4.375 9.853 -0.806 124 HZ3 LYS 18 2HZ LYS 18 2.993 9.858 -1.671 125 H PHE 19 H PHE 19 3.243 2.046 -1.393 126 HA PHE 19 HA PHE 19 5.222 0.722 0.420 127 HB2 PHE 19 1HB PHE 19 3.189 -0.600 -1.397 128 HB3 PHE 19 2HB PHE 19 4.328 -1.432 -0.368 129 HD1 PHE 19 1HD PHE 19 4.070 -1.487 2.104 130 HD2 PHE 19 2HD PHE 19 1.170 0.452 -0.421 131 HE1 PHE 19 1HE PHE 19 2.506 -1.326 4.026 132 HE2 PHE 19 2HE PHE 19 -0.383 0.657 1.520 133 HZ PHE 19 HZ PHE 19 0.293 -0.233 3.748 134 H LYS 20 H LYS 20 6.738 -0.665 -0.601 135 HA LYS 20 HA LYS 20 7.963 0.524 -2.933 136 HB2 LYS 20 1HB LYS 20 8.694 -2.054 -1.464 137 HB3 LYS 20 2HB LYS 20 9.713 -1.165 -2.597 138 HG2 LYS 20 1HG LYS 20 9.662 0.799 -1.006 139 HG3 LYS 20 2HG LYS 20 8.785 -0.226 0.149 140 HD2 LYS 20 1HD LYS 20 10.672 -1.828 0.174 141 HD3 LYS 20 2HD LYS 20 11.553 -0.812 -0.991 142 HE2 LYS 20 1HE LYS 20 11.505 1.076 0.623 143 HE3 LYS 20 2HE LYS 20 10.637 0.066 1.786 144 HZ1 LYS 20 3HZ LYS 20 13.373 -0.487 0.762 145 HZ2 LYS 20 1HZ LYS 20 12.571 -1.421 1.838 146 HZ3 LYS 20 2HZ LYS 20 13.022 0.092 2.246 147 H ASN 21 H ASN 21 6.203 -2.472 -2.392 148 HA ASN 21 HA ASN 21 6.298 -3.107 -5.317 149 HB2 ASN 21 1HB ASN 21 6.108 -5.116 -3.044 150 HB3 ASN 21 2HB ASN 21 6.292 -5.464 -4.756 151 HD21 ASN 21 1HD2 ASN 21 7.902 -4.948 -1.820 152 HD22 ASN 21 2HD2 ASN 21 9.537 -4.962 -2.480 153 H GLU 22 H GLU 22 4.505 -4.284 -6.145 154 HA GLU 22 HA GLU 22 1.912 -3.328 -5.373 155 HB2 GLU 22 1HB GLU 22 2.694 -4.195 -7.666 156 HB3 GLU 22 2HB GLU 22 2.533 -5.822 -7.016 157 HG2 GLU 22 1HG GLU 22 0.128 -5.411 -6.577 158 HG3 GLU 22 2HG GLU 22 0.296 -3.745 -7.131 159 H LEU 23 H LEU 23 3.644 -6.365 -4.758 160 HA LEU 23 HA LEU 23 1.669 -7.816 -3.360 161 HB2 LEU 23 1HB LEU 23 3.671 -8.867 -4.124 162 HB3 LEU 23 2HB LEU 23 4.702 -7.752 -3.219 163 HG LEU 23 HG LEU 23 3.940 -8.733 -1.084 164 HD11 LEU 23 1HD1 LEU 23 1.694 -9.539 -1.688 165 HD12 LEU 23 2HD1 LEU 23 2.682 -10.866 -1.077 166 HD13 LEU 23 3HD1 LEU 23 2.402 -10.706 -2.828 167 HD21 LEU 23 3HD2 LEU 23 5.104 -10.873 -1.316 168 HD22 LEU 23 1HD2 LEU 23 5.942 -9.595 -2.213 169 HD23 LEU 23 2HD2 LEU 23 4.949 -10.786 -3.086 170 H ASP 24 H ASP 24 4.173 -5.588 -1.974 171 HA ASP 24 HA ASP 24 3.372 -5.972 0.720 172 HB2 ASP 24 1HB ASP 24 4.859 -3.717 -0.653 173 HB3 ASP 24 2HB ASP 24 4.593 -3.769 1.094 174 H ARG 25 H ARG 25 2.097 -3.772 -1.686 175 HA ARG 25 HA ARG 25 0.345 -2.340 0.202 176 HB2 ARG 25 1HB ARG 25 1.318 -1.373 -1.921 177 HB3 ARG 25 2HB ARG 25 0.308 -2.410 -2.848 178 HG2 ARG 25 1HG ARG 25 -0.792 -0.402 -0.794 179 HG3 ARG 25 2HG ARG 25 -0.424 0.034 -2.461 180 HD2 ARG 25 1HD ARG 25 -2.537 -1.865 -1.454 181 HD3 ARG 25 2HD ARG 25 -2.762 -0.341 -2.273 182 HE ARG 25 HE ARG 25 -1.499 -2.745 -3.499 183 HH11 ARG 25 2HH1 ARG 25 -3.114 0.300 -4.137 184 HH12 ARG 25 1HH1 ARG 25 -3.620 -0.210 -5.730 185 HH21 ARG 25 2HH2 ARG 25 -2.410 -3.426 -5.347 186 HH22 ARG 25 1HH2 ARG 25 -3.125 -2.272 -6.468 187 H ASP 26 H ASP 26 -0.030 -4.947 -2.213 188 HA ASP 26 HA ASP 26 -2.838 -5.227 -1.933 189 HB2 ASP 26 1HB ASP 26 -0.609 -7.043 -2.911 190 HB3 ASP 26 2HB ASP 26 -2.240 -7.654 -2.738 191 H ARG 27 H ARG 27 -0.183 -6.872 -0.129 192 HA ARG 27 HA ARG 27 -1.993 -8.411 1.533 193 HB2 ARG 27 1HB ARG 27 -0.130 -8.978 2.888 194 HB3 ARG 27 2HB ARG 27 0.288 -9.130 1.180 195 HG2 ARG 27 1HG ARG 27 1.523 -7.021 1.262 196 HG3 ARG 27 2HG ARG 27 1.028 -6.720 2.901 197 HD2 ARG 27 1HD ARG 27 2.244 -8.834 3.595 198 HD3 ARG 27 2HD ARG 27 2.757 -9.038 1.921 199 HE ARG 27 HE ARG 27 4.337 -7.321 2.158 200 HH11 ARG 27 2HH1 ARG 27 2.411 -7.340 5.104 201 HH12 ARG 27 1HH1 ARG 27 3.501 -6.233 5.891 202 HH21 ARG 27 2HH2 ARG 27 5.572 -5.957 3.134 203 HH22 ARG 27 1HH2 ARG 27 5.301 -5.464 4.806 204 H HIS 28 H HIS 28 -0.963 -5.086 1.747 205 HA HIS 28 HA HIS 28 -2.065 -4.699 4.460 206 HB2 HIS 28 1HB HIS 28 -0.308 -3.235 3.853 207 HB3 HIS 28 2HB HIS 28 -0.989 -2.881 2.277 208 HD1 HIS 28 1HD HIS 28 -1.524 -1.955 5.954 209 HD2 HIS 28 2HD HIS 28 -2.946 -1.091 2.091 210 HE1 HIS 28 1HE HIS 28 -3.046 0.053 6.214 211 H MET 29 H MET 29 -3.377 -4.418 1.078 212 HA MET 29 HA MET 29 -5.804 -3.178 1.901 213 HB2 MET 29 1HB MET 29 -5.451 -5.125 -0.400 214 HB3 MET 29 2HB MET 29 -6.796 -4.020 -0.140 215 HG2 MET 29 1HG MET 29 -4.969 -2.144 -0.123 216 HG3 MET 29 2HG MET 29 -3.953 -3.383 -0.860 217 HE1 MET 29 3HE MET 29 -7.605 -1.309 -2.757 218 HE2 MET 29 1HE MET 29 -7.712 -2.165 -1.210 219 HE3 MET 29 2HE MET 29 -6.689 -0.722 -1.352 220 H LEU 30 H LEU 30 -4.785 -6.450 2.441 221 HA LEU 30 HA LEU 30 -7.264 -7.750 2.958 222 HB2 LEU 30 1HB LEU 30 -4.620 -8.080 4.431 223 HB3 LEU 30 2HB LEU 30 -5.933 -9.237 4.378 224 HG LEU 30 HG LEU 30 -4.188 -8.411 2.021 225 HD11 LEU 30 1HD1 LEU 30 -3.048 -9.828 3.698 226 HD12 LEU 30 2HD1 LEU 30 -3.300 -10.693 2.173 227 HD13 LEU 30 3HD1 LEU 30 -4.350 -11.029 3.570 228 HD21 LEU 30 3HD2 LEU 30 -6.414 -9.007 1.198 229 HD22 LEU 30 1HD2 LEU 30 -6.383 -10.514 2.147 230 HD23 LEU 30 2HD2 LEU 30 -5.241 -10.269 0.801 231 H VAL 31 H VAL 31 -5.590 -5.288 4.868 232 HA VAL 31 HA VAL 31 -7.079 -5.823 7.315 233 HB VAL 31 HB VAL 31 -6.081 -4.018 8.276 234 HG11 VAL 31 1HG1 VAL 31 -3.966 -4.873 6.302 235 HG12 VAL 31 2HG1 VAL 31 -3.733 -4.188 7.916 236 HG13 VAL 31 3HG1 VAL 31 -4.477 -5.787 7.738 237 HG21 VAL 31 3HG2 VAL 31 -4.792 -2.220 7.050 238 HG22 VAL 31 1HG2 VAL 31 -5.674 -2.726 5.594 239 HG23 VAL 31 2HG2 VAL 31 -6.553 -2.138 7.006 240 H HIS 32 H HIS 32 -7.808 -4.176 4.419 241 HA HIS 32 HA HIS 32 -10.102 -2.669 5.583 242 HB2 HIS 32 1HB HIS 32 -8.874 -2.508 2.807 243 HB3 HIS 32 2HB HIS 32 -10.110 -1.450 3.478 244 HD1 HIS 32 1HD HIS 32 -8.971 -0.372 6.081 245 HD2 HIS 32 2HD HIS 32 -6.638 -1.252 2.698 246 HE1 HIS 32 1HE HIS 32 -6.862 1.014 6.321 247 H GLY 33 H GLY 33 -9.396 -4.956 2.887 248 HA2 GLY 33 1HA GLY 33 -12.268 -5.319 2.297 249 HA3 GLY 33 2HA GLY 33 -10.902 -5.982 1.411 250 H ASP 34 H ASP 34 -13.473 -6.834 3.302 251 HA ASP 34 HA ASP 34 -12.266 -9.044 4.785 252 HB2 ASP 34 1HB ASP 34 -14.497 -9.440 5.587 253 HB3 ASP 34 2HB ASP 34 -14.115 -7.725 5.702 254 H LYS 35 H LYS 35 -14.196 -8.706 1.861 255 HA LYS 35 HA LYS 35 -13.363 -11.406 0.922 256 HB2 LYS 35 1HB LYS 35 -15.658 -11.946 0.230 257 HB3 LYS 35 2HB LYS 35 -15.536 -11.706 1.971 258 HG2 LYS 35 1HG LYS 35 -16.431 -9.372 1.686 259 HG3 LYS 35 2HG LYS 35 -16.637 -9.684 -0.041 260 HD2 LYS 35 1HD LYS 35 -18.280 -11.356 0.344 261 HD3 LYS 35 2HD LYS 35 -17.902 -11.475 2.071 262 HE2 LYS 35 1HE LYS 35 -18.881 -8.873 0.857 263 HE3 LYS 35 2HE LYS 35 -20.028 -10.139 1.309 264 HZ1 LYS 35 3HZ LYS 35 -18.048 -9.029 3.242 265 HZ2 LYS 35 1HZ LYS 35 -19.286 -10.025 3.567 266 HZ3 LYS 35 2HZ LYS 35 -19.596 -8.491 3.112 267 H TRP 36 H TRP 36 -12.857 -8.444 0.269 268 HA TRP 36 HA TRP 36 -13.584 -8.406 -2.628 269 HB2 TRP 36 1HB TRP 36 -13.159 -6.053 -0.774 270 HB3 TRP 36 2HB TRP 36 -13.692 -6.005 -2.446 271 HD1 TRP 36 1HD TRP 36 -15.005 -5.864 0.923 272 HE1 TRP 36 1HE TRP 36 -17.533 -6.232 1.029 273 HE3 TRP 36 3HE TRP 36 -15.722 -7.816 -3.760 274 HZ2 TRP 36 2HZ TRP 36 -19.619 -7.240 -0.707 275 HZ3 TRP 36 3HZ TRP 36 -17.995 -8.494 -4.498 276 HH2 TRP 36 2HH TRP 36 -19.948 -8.211 -2.985 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 9.348 13.150 8.558 2 H2 GLY 1 2H GLY 1 8.830 12.660 7.083 3 H3 GLY 1 3H GLY 1 8.888 14.257 7.442 4 HA2 GLY 1 1HA GLY 1 11.286 14.208 7.599 5 HA3 GLY 1 2HA GLY 1 11.230 12.473 7.236 6 H SER 2 H SER 2 12.345 14.981 5.814 7 HA SER 2 HA SER 2 10.824 15.271 3.377 8 HB2 SER 2 1HB SER 2 13.658 16.166 4.002 9 HB3 SER 2 2HB SER 2 12.615 16.769 2.699 10 HG SER 2 HG SER 2 12.580 18.143 4.543 11 H SER 3 H SER 3 13.029 12.829 4.249 12 HA SER 3 HA SER 3 13.193 11.824 1.484 13 HB2 SER 3 1HB SER 3 15.225 13.293 1.897 14 HB3 SER 3 2HB SER 3 15.717 12.140 3.152 15 HG SER 3 HG SER 3 16.648 11.715 1.063 16 H GLY 4 H GLY 4 14.287 9.598 1.510 17 HA2 GLY 4 1HA GLY 4 14.163 8.019 3.953 18 HA3 GLY 4 2HA GLY 4 12.808 7.697 2.870 19 H SER 5 H SER 5 14.576 5.715 3.575 20 HA SER 5 HA SER 5 16.858 5.453 1.889 21 HB2 SER 5 1HB SER 5 15.396 3.289 3.441 22 HB3 SER 5 2HB SER 5 17.079 3.243 2.892 23 HG SER 5 HG SER 5 17.544 4.973 4.289 24 H SER 6 H SER 6 13.588 4.760 1.102 25 HA SER 6 HA SER 6 14.387 3.415 -1.424 26 HB2 SER 6 1HB SER 6 12.399 2.298 0.594 27 HB3 SER 6 2HB SER 6 12.391 1.855 -1.118 28 HG SER 6 HG SER 6 14.607 1.553 0.650 29 H GLY 7 H GLY 7 13.038 3.807 -3.142 30 HA2 GLY 7 1HA GLY 7 11.008 5.919 -2.992 31 HA3 GLY 7 2HA GLY 7 11.452 4.970 -4.415 32 H LEU 8 H LEU 8 8.815 5.694 -3.143 33 HA LEU 8 HA LEU 8 7.660 2.946 -2.882 34 HB2 LEU 8 1HB LEU 8 6.533 5.536 -1.787 35 HB3 LEU 8 2HB LEU 8 5.861 3.917 -1.591 36 HG LEU 8 HG LEU 8 8.516 4.908 -0.445 37 HD11 LEU 8 1HD1 LEU 8 7.386 4.728 1.714 38 HD12 LEU 8 2HD1 LEU 8 5.888 4.212 0.914 39 HD13 LEU 8 3HD1 LEU 8 6.523 5.849 0.649 40 HD21 LEU 8 3HD2 LEU 8 7.128 2.228 -0.028 41 HD22 LEU 8 1HD2 LEU 8 8.581 2.795 0.814 42 HD23 LEU 8 2HD2 LEU 8 8.651 2.469 -0.915 43 H LEU 9 H LEU 9 6.176 2.322 -4.211 44 HA LEU 9 HA LEU 9 5.535 4.062 -6.576 45 HB2 LEU 9 1HB LEU 9 6.183 1.105 -6.301 46 HB3 LEU 9 2HB LEU 9 5.626 1.845 -7.790 47 HG LEU 9 HG LEU 9 8.222 2.528 -6.326 48 HD11 LEU 9 1HD1 LEU 9 7.725 0.981 -8.902 49 HD12 LEU 9 2HD1 LEU 9 8.224 0.285 -7.343 50 HD13 LEU 9 3HD1 LEU 9 9.312 1.383 -8.206 51 HD21 LEU 9 3HD2 LEU 9 7.166 3.472 -9.028 52 HD22 LEU 9 1HD2 LEU 9 8.816 3.736 -8.421 53 HD23 LEU 9 2HD2 LEU 9 7.450 4.483 -7.591 54 H TYR 10 H TYR 10 4.096 1.882 -4.251 55 HA TYR 10 HA TYR 10 1.511 1.885 -5.771 56 HB2 TYR 10 1HB TYR 10 2.600 -0.220 -3.872 57 HB3 TYR 10 2HB TYR 10 1.057 -0.274 -4.690 58 HD1 TYR 10 1HD TYR 10 4.722 -0.500 -5.162 59 HD2 TYR 10 2HD TYR 10 0.872 -0.755 -7.087 60 HE1 TYR 10 1HE TYR 10 5.808 -1.414 -7.216 61 HE2 TYR 10 2HE TYR 10 1.946 -1.706 -9.116 62 HH TYR 10 HH TYR 10 3.917 -2.308 -10.127 63 H ASP 11 H ASP 11 -0.400 2.306 -4.714 64 HA ASP 11 HA ASP 11 -0.178 3.373 -1.936 65 HB2 ASP 11 1HB ASP 11 -1.389 5.298 -2.551 66 HB3 ASP 11 2HB ASP 11 -0.052 5.134 -3.679 67 H CYS 12 H CYS 12 -1.798 3.225 -0.578 68 HA CYS 12 HA CYS 12 -4.074 1.432 -1.059 69 HB2 CYS 12 1HB CYS 12 -2.844 1.333 1.028 70 HB3 CYS 12 2HB CYS 12 -3.101 3.067 1.309 71 H HIS 13 H HIS 13 -6.075 2.066 -1.572 72 HA HIS 13 HA HIS 13 -6.706 4.948 -1.835 73 HB2 HIS 13 1HB HIS 13 -8.564 4.246 -3.224 74 HB3 HIS 13 2HB HIS 13 -7.028 3.625 -3.802 75 HD1 HIS 13 1HD HIS 13 -6.876 1.006 -4.102 76 HD2 HIS 13 2HD HIS 13 -10.287 2.402 -2.076 77 HE1 HIS 13 1HE HIS 13 -8.446 -0.992 -3.885 78 H ILE 14 H ILE 14 -6.919 2.892 0.685 79 HA ILE 14 HA ILE 14 -9.593 3.857 1.631 80 HB ILE 14 HB ILE 14 -7.835 1.780 2.898 81 HG12 ILE 14 1HG1 ILE 14 -8.426 0.942 0.680 82 HG13 ILE 14 2HG1 ILE 14 -9.196 0.041 1.962 83 HG21 ILE 14 1HG2 ILE 14 -9.402 2.681 4.482 84 HG22 ILE 14 2HG2 ILE 14 -10.741 2.565 3.322 85 HG23 ILE 14 3HG2 ILE 14 -10.003 1.097 3.993 86 HD11 ILE 14 3HD1 ILE 14 -10.595 2.141 0.290 87 HD12 ILE 14 1HD1 ILE 14 -10.672 0.375 0.064 88 HD13 ILE 14 2HD1 ILE 14 -11.335 1.100 1.537 89 H CYS 15 H CYS 15 -6.139 3.745 2.538 90 HA CYS 15 HA CYS 15 -6.594 5.834 4.602 91 HB2 CYS 15 1HB CYS 15 -5.377 4.695 6.222 92 HB3 CYS 15 2HB CYS 15 -6.667 3.645 5.636 93 H GLU 16 H GLU 16 -5.043 5.326 1.864 94 HA GLU 16 HA GLU 16 -3.484 6.456 0.737 95 HB2 GLU 16 1HB GLU 16 -4.711 8.238 2.308 96 HB3 GLU 16 2HB GLU 16 -3.069 8.467 2.906 97 HG2 GLU 16 1HG GLU 16 -2.332 8.806 0.493 98 HG3 GLU 16 2HG GLU 16 -4.020 8.648 0.010 99 H ARG 17 H ARG 17 -2.526 4.612 3.140 100 HA ARG 17 HA ARG 17 0.304 5.160 3.377 101 HB2 ARG 17 1HB ARG 17 -1.539 2.858 3.926 102 HB3 ARG 17 2HB ARG 17 0.145 2.432 3.621 103 HG2 ARG 17 1HG ARG 17 0.971 3.834 5.361 104 HG3 ARG 17 2HG ARG 17 -0.609 4.590 5.628 105 HD2 ARG 17 1HD ARG 17 -0.210 1.593 5.945 106 HD3 ARG 17 2HD ARG 17 0.195 2.728 7.230 107 HE ARG 17 HE ARG 17 -2.524 2.904 6.001 108 HH11 ARG 17 2HH1 ARG 17 -0.757 2.034 8.913 109 HH12 ARG 17 1HH1 ARG 17 -2.211 2.066 9.873 110 HH21 ARG 17 2HH2 ARG 17 -4.234 2.884 7.186 111 HH22 ARG 17 1HH2 ARG 17 -4.177 2.555 8.914 112 H LYS 18 H LYS 18 2.038 4.037 2.435 113 HA LYS 18 HA LYS 18 1.616 3.178 -0.385 114 HB2 LYS 18 1HB LYS 18 3.344 5.500 0.506 115 HB3 LYS 18 2HB LYS 18 3.528 4.692 -1.057 116 HG2 LYS 18 1HG LYS 18 1.370 5.268 -1.806 117 HG3 LYS 18 2HG LYS 18 0.854 5.870 -0.232 118 HD2 LYS 18 1HD LYS 18 3.114 7.100 -1.845 119 HD3 LYS 18 2HD LYS 18 1.440 7.649 -1.951 120 HE2 LYS 18 1HE LYS 18 3.001 7.532 0.666 121 HE3 LYS 18 2HE LYS 18 2.979 8.955 -0.378 122 HZ1 LYS 18 3HZ LYS 18 1.294 9.124 1.356 123 HZ2 LYS 18 1HZ LYS 18 0.545 7.756 0.876 124 HZ3 LYS 18 2HZ LYS 18 0.567 9.070 -0.099 125 H PHE 19 H PHE 19 3.247 2.098 -1.379 126 HA PHE 19 HA PHE 19 5.211 0.714 0.409 127 HB2 PHE 19 1HB PHE 19 3.160 -0.596 -1.389 128 HB3 PHE 19 2HB PHE 19 4.318 -1.421 -0.380 129 HD1 PHE 19 1HD PHE 19 4.086 -1.466 2.106 130 HD2 PHE 19 2HD PHE 19 1.128 0.397 -0.411 131 HE1 PHE 19 1HE PHE 19 2.529 -1.337 4.035 132 HE2 PHE 19 2HE PHE 19 -0.420 0.564 1.537 133 HZ PHE 19 HZ PHE 19 0.289 -0.298 3.764 134 H LYS 20 H LYS 20 6.672 -0.713 -0.649 135 HA LYS 20 HA LYS 20 7.885 0.537 -2.969 136 HB2 LYS 20 1HB LYS 20 9.039 -0.311 -0.885 137 HB3 LYS 20 2HB LYS 20 8.759 -1.961 -1.447 138 HG2 LYS 20 1HG LYS 20 10.092 -1.558 -3.455 139 HG3 LYS 20 2HG LYS 20 10.211 0.168 -3.070 140 HD2 LYS 20 1HD LYS 20 11.433 -0.461 -0.938 141 HD3 LYS 20 2HD LYS 20 11.463 -2.141 -1.526 142 HE2 LYS 20 1HE LYS 20 12.630 -1.381 -3.588 143 HE3 LYS 20 2HE LYS 20 12.555 0.292 -3.008 144 HZ1 LYS 20 3HZ LYS 20 14.007 -1.890 -1.601 145 HZ2 LYS 20 1HZ LYS 20 13.985 -0.306 -1.166 146 HZ3 LYS 20 2HZ LYS 20 14.719 -0.766 -2.548 147 H ASN 21 H ASN 21 6.445 -2.638 -2.357 148 HA ASN 21 HA ASN 21 6.428 -3.191 -5.308 149 HB2 ASN 21 1HB ASN 21 6.152 -5.195 -3.036 150 HB3 ASN 21 2HB ASN 21 6.196 -5.560 -4.753 151 HD21 ASN 21 1HD2 ASN 21 8.063 -4.821 -1.943 152 HD22 ASN 21 2HD2 ASN 21 9.625 -5.160 -2.694 153 H GLU 22 H GLU 22 4.585 -4.234 -6.197 154 HA GLU 22 HA GLU 22 2.015 -3.228 -5.416 155 HB2 GLU 22 1HB GLU 22 2.791 -4.081 -7.720 156 HB3 GLU 22 2HB GLU 22 2.585 -5.711 -7.094 157 HG2 GLU 22 1HG GLU 22 0.190 -5.250 -6.667 158 HG3 GLU 22 2HG GLU 22 0.401 -3.579 -7.190 159 H LEU 23 H LEU 23 3.683 -6.307 -4.830 160 HA LEU 23 HA LEU 23 1.670 -7.734 -3.456 161 HB2 LEU 23 1HB LEU 23 3.696 -8.784 -4.270 162 HB3 LEU 23 2HB LEU 23 4.708 -7.739 -3.269 163 HG LEU 23 HG LEU 23 3.830 -8.796 -1.223 164 HD11 LEU 23 1HD1 LEU 23 2.544 -10.916 -1.379 165 HD12 LEU 23 2HD1 LEU 23 2.342 -10.656 -3.126 166 HD13 LEU 23 3HD1 LEU 23 1.604 -9.537 -1.955 167 HD21 LEU 23 3HD2 LEU 23 5.870 -9.651 -2.298 168 HD22 LEU 23 1HD2 LEU 23 4.897 -10.779 -3.269 169 HD23 LEU 23 2HD2 LEU 23 4.971 -10.951 -1.499 170 H ASP 24 H ASP 24 4.230 -5.595 -2.064 171 HA ASP 24 HA ASP 24 3.507 -5.870 0.650 172 HB2 ASP 24 1HB ASP 24 4.707 -3.514 -0.836 173 HB3 ASP 24 2HB ASP 24 4.632 -3.634 0.924 174 H ARG 25 H ARG 25 2.108 -3.737 -1.772 175 HA ARG 25 HA ARG 25 0.326 -2.366 0.131 176 HB2 ARG 25 1HB ARG 25 1.316 -1.338 -1.949 177 HB3 ARG 25 2HB ARG 25 0.349 -2.364 -2.922 178 HG2 ARG 25 1HG ARG 25 -0.838 -0.424 -0.852 179 HG3 ARG 25 2HG ARG 25 -0.417 0.064 -2.494 180 HD2 ARG 25 1HD ARG 25 -2.551 -1.876 -1.619 181 HD3 ARG 25 2HD ARG 25 -2.749 -0.331 -2.421 182 HE ARG 25 HE ARG 25 -1.458 -2.739 -3.617 183 HH11 ARG 25 2HH1 ARG 25 -2.958 0.356 -4.305 184 HH12 ARG 25 1HH1 ARG 25 -3.342 -0.111 -5.944 185 HH21 ARG 25 2HH2 ARG 25 -2.236 -3.364 -5.536 186 HH22 ARG 25 1HH2 ARG 25 -2.842 -2.174 -6.682 187 H ASP 26 H ASP 26 -0.025 -4.899 -2.359 188 HA ASP 26 HA ASP 26 -2.824 -5.197 -2.169 189 HB2 ASP 26 1HB ASP 26 -0.556 -6.977 -3.077 190 HB3 ASP 26 2HB ASP 26 -2.168 -7.634 -2.931 191 H ARG 27 H ARG 27 -0.269 -6.881 -0.232 192 HA ARG 27 HA ARG 27 -2.288 -8.328 1.303 193 HB2 ARG 27 1HB ARG 27 -0.578 -9.061 2.753 194 HB3 ARG 27 2HB ARG 27 -0.075 -9.273 1.079 195 HG2 ARG 27 1HG ARG 27 1.515 -7.520 1.208 196 HG3 ARG 27 2HG ARG 27 0.812 -6.828 2.657 197 HD2 ARG 27 1HD ARG 27 1.432 -8.953 3.900 198 HD3 ARG 27 2HD ARG 27 2.289 -9.501 2.459 199 HE ARG 27 HE ARG 27 3.093 -7.416 4.374 200 HH11 ARG 27 2HH1 ARG 27 3.826 -8.732 1.183 201 HH12 ARG 27 1HH1 ARG 27 5.199 -7.630 1.024 202 HH21 ARG 27 1HH2 ARG 27 4.979 -6.205 4.044 203 HH22 ARG 27 2HH2 ARG 27 5.788 -6.368 2.487 204 H HIS 28 H HIS 28 -0.989 -5.097 1.639 205 HA HIS 28 HA HIS 28 -2.041 -4.689 4.335 206 HB2 HIS 28 1HB HIS 28 -0.328 -3.216 3.679 207 HB3 HIS 28 2HB HIS 28 -1.054 -2.869 2.122 208 HD1 HIS 28 1HD HIS 28 -1.557 -1.976 5.821 209 HD2 HIS 28 2HD HIS 28 -2.951 -1.032 1.967 210 HE1 HIS 28 1HE HIS 28 -3.055 0.047 6.107 211 H MET 29 H MET 29 -3.508 -4.311 1.027 212 HA MET 29 HA MET 29 -5.890 -3.104 1.915 213 HB2 MET 29 1HB MET 29 -5.738 -5.185 -0.287 214 HB3 MET 29 2HB MET 29 -6.951 -3.931 -0.083 215 HG2 MET 29 1HG MET 29 -4.056 -3.606 -0.867 216 HG3 MET 29 2HG MET 29 -5.467 -3.254 -1.835 217 HE1 MET 29 3HE MET 29 -6.906 -1.191 -1.704 218 HE2 MET 29 1HE MET 29 -7.385 -1.456 -0.013 219 HE3 MET 29 2HE MET 29 -6.748 0.126 -0.523 220 H LEU 30 H LEU 30 -4.893 -6.396 2.482 221 HA LEU 30 HA LEU 30 -7.413 -7.608 3.068 222 HB2 LEU 30 1HB LEU 30 -4.709 -8.136 4.359 223 HB3 LEU 30 2HB LEU 30 -6.085 -9.214 4.357 224 HG LEU 30 HG LEU 30 -4.498 -8.391 1.884 225 HD11 LEU 30 1HD1 LEU 30 -4.598 -11.033 3.396 226 HD12 LEU 30 2HD1 LEU 30 -3.252 -9.873 3.421 227 HD13 LEU 30 3HD1 LEU 30 -3.673 -10.700 1.913 228 HD21 LEU 30 3HD2 LEU 30 -6.745 -10.423 2.184 229 HD22 LEU 30 1HD2 LEU 30 -5.729 -10.196 0.739 230 HD23 LEU 30 2HD2 LEU 30 -6.811 -8.901 1.262 231 H VAL 31 H VAL 31 -5.499 -5.311 4.966 232 HA VAL 31 HA VAL 31 -6.854 -5.846 7.480 233 HB VAL 31 HB VAL 31 -5.772 -4.073 8.419 234 HG11 VAL 31 1HG1 VAL 31 -3.813 -4.869 6.264 235 HG12 VAL 31 2HG1 VAL 31 -3.459 -4.237 7.878 236 HG13 VAL 31 3HG1 VAL 31 -4.217 -5.830 7.702 237 HG21 VAL 31 3HG2 VAL 31 -6.343 -2.164 7.198 238 HG22 VAL 31 1HG2 VAL 31 -4.582 -2.237 7.175 239 HG23 VAL 31 2HG2 VAL 31 -5.513 -2.713 5.740 240 H HIS 32 H HIS 32 -7.675 -4.012 4.676 241 HA HIS 32 HA HIS 32 -9.963 -2.631 5.965 242 HB2 HIS 32 1HB HIS 32 -9.021 -2.558 3.078 243 HB3 HIS 32 2HB HIS 32 -10.174 -1.476 3.851 244 HD1 HIS 32 1HD HIS 32 -8.678 -0.440 6.341 245 HD2 HIS 32 2HD HIS 32 -6.921 -1.145 2.587 246 HE1 HIS 32 1HE HIS 32 -6.595 1.006 6.281 247 H GLY 33 H GLY 33 -9.293 -5.242 3.645 248 HA2 GLY 33 1HA GLY 33 -10.580 -7.104 3.118 249 HA3 GLY 33 2HA GLY 33 -11.881 -6.502 4.138 250 H ASP 34 H ASP 34 -13.102 -7.442 2.318 251 HA ASP 34 HA ASP 34 -13.725 -5.413 0.227 252 HB2 ASP 34 1HB ASP 34 -12.205 -7.167 -0.686 253 HB3 ASP 34 2HB ASP 34 -13.413 -8.388 -0.324 254 H LYS 35 H LYS 35 -15.284 -8.516 0.181 255 HA LYS 35 HA LYS 35 -17.398 -9.238 0.593 256 HB2 LYS 35 1HB LYS 35 -17.110 -7.700 3.194 257 HB3 LYS 35 2HB LYS 35 -18.160 -9.084 2.902 258 HG2 LYS 35 1HG LYS 35 -15.118 -9.140 2.807 259 HG3 LYS 35 2HG LYS 35 -16.114 -9.641 4.175 260 HD2 LYS 35 1HD LYS 35 -17.168 -11.406 2.752 261 HD3 LYS 35 2HD LYS 35 -16.086 -10.947 1.416 262 HE2 LYS 35 1HE LYS 35 -14.115 -11.451 2.834 263 HE3 LYS 35 2HE LYS 35 -15.183 -11.902 4.169 264 HZ1 LYS 35 3HZ LYS 35 -16.061 -13.701 2.775 265 HZ2 LYS 35 1HZ LYS 35 -14.446 -13.856 2.933 266 HZ3 LYS 35 2HZ LYS 35 -15.072 -13.286 1.540 267 H TRP 36 H TRP 36 -17.232 -6.710 -0.796 268 HA TRP 36 HA TRP 36 -19.431 -5.004 -0.130 269 HB2 TRP 36 1HB TRP 36 -18.115 -5.375 -2.829 270 HB3 TRP 36 2HB TRP 36 -19.107 -4.015 -2.326 271 HD1 TRP 36 1HD TRP 36 -15.683 -4.849 -2.804 272 HE1 TRP 36 1HE TRP 36 -14.054 -3.329 -1.523 273 HE3 TRP 36 3HE TRP 36 -18.993 -2.713 0.470 274 HZ2 TRP 36 2HZ TRP 36 -14.172 -1.459 0.672 275 HZ3 TRP 36 3HZ TRP 36 -18.203 -1.060 2.147 276 HH2 TRP 36 2HH TRP 36 -15.801 -0.426 2.261 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 12.365 21.448 -3.329 2 H2 GLY 1 2H GLY 1 13.064 21.898 -4.736 3 H3 GLY 1 3H GLY 1 13.999 21.449 -3.467 4 HA2 GLY 1 1HA GLY 1 13.931 19.684 -5.097 5 HA3 GLY 1 2HA GLY 1 13.186 19.194 -3.565 6 H SER 2 H SER 2 12.581 17.809 -5.842 7 HA SER 2 HA SER 2 10.171 18.752 -7.162 8 HB2 SER 2 1HB SER 2 11.751 17.209 -8.236 9 HB3 SER 2 2HB SER 2 11.372 15.964 -7.027 10 HG SER 2 HG SER 2 10.181 15.820 -9.055 11 H SER 3 H SER 3 8.061 18.036 -6.955 12 HA SER 3 HA SER 3 7.170 17.013 -4.335 13 HB2 SER 3 1HB SER 3 4.912 17.464 -5.249 14 HB3 SER 3 2HB SER 3 5.972 18.884 -5.277 15 HG SER 3 HG SER 3 4.824 18.605 -7.258 16 H GLY 4 H GLY 4 8.084 15.613 -7.316 17 HA2 GLY 4 1HA GLY 4 6.180 13.454 -7.499 18 HA3 GLY 4 2HA GLY 4 7.747 13.543 -8.297 19 H SER 5 H SER 5 6.268 11.353 -6.809 20 HA SER 5 HA SER 5 7.810 10.719 -4.442 21 HB2 SER 5 1HB SER 5 6.007 8.928 -6.108 22 HB3 SER 5 2HB SER 5 6.573 8.610 -4.461 23 HG SER 5 HG SER 5 5.416 10.464 -3.768 24 H SER 6 H SER 6 9.273 9.043 -4.094 25 HA SER 6 HA SER 6 10.279 7.422 -6.336 26 HB2 SER 6 1HB SER 6 12.630 7.890 -5.814 27 HB3 SER 6 2HB SER 6 11.784 9.335 -6.385 28 HG SER 6 HG SER 6 13.095 9.775 -4.554 29 H GLY 7 H GLY 7 11.379 5.514 -5.659 30 HA2 GLY 7 1HA GLY 7 11.787 3.674 -4.299 31 HA3 GLY 7 2HA GLY 7 11.510 4.683 -2.870 32 H LEU 8 H LEU 8 8.981 5.527 -3.148 33 HA LEU 8 HA LEU 8 7.318 3.112 -2.770 34 HB2 LEU 8 1HB LEU 8 6.776 6.078 -2.349 35 HB3 LEU 8 2HB LEU 8 5.658 4.774 -1.945 36 HG LEU 8 HG LEU 8 8.435 5.097 -0.698 37 HD11 LEU 8 1HD1 LEU 8 7.220 5.904 1.281 38 HD12 LEU 8 2HD1 LEU 8 5.694 5.873 0.359 39 HD13 LEU 8 3HD1 LEU 8 7.004 6.972 -0.116 40 HD21 LEU 8 3HD2 LEU 8 7.562 3.510 0.993 41 HD22 LEU 8 1HD2 LEU 8 7.619 2.770 -0.612 42 HD23 LEU 8 2HD2 LEU 8 6.070 3.333 0.050 43 H LEU 9 H LEU 9 6.018 2.378 -4.219 44 HA LEU 9 HA LEU 9 5.462 3.945 -6.720 45 HB2 LEU 9 1HB LEU 9 6.228 1.039 -6.273 46 HB3 LEU 9 2HB LEU 9 5.621 1.647 -7.802 47 HG LEU 9 HG LEU 9 8.191 2.555 -6.420 48 HD11 LEU 9 1HD1 LEU 9 8.297 0.253 -7.296 49 HD12 LEU 9 2HD1 LEU 9 9.320 1.346 -8.238 50 HD13 LEU 9 3HD1 LEU 9 7.749 0.822 -8.888 51 HD21 LEU 9 3HD2 LEU 9 8.706 3.645 -8.604 52 HD22 LEU 9 1HD2 LEU 9 7.320 4.383 -7.802 53 HD23 LEU 9 2HD2 LEU 9 7.061 3.267 -9.164 54 H TYR 10 H TYR 10 4.064 1.893 -4.277 55 HA TYR 10 HA TYR 10 1.454 1.815 -5.745 56 HB2 TYR 10 1HB TYR 10 2.607 -0.246 -3.833 57 HB3 TYR 10 2HB TYR 10 1.058 -0.337 -4.640 58 HD1 TYR 10 1HD TYR 10 4.722 -0.515 -5.115 59 HD2 TYR 10 2HD TYR 10 0.875 -0.866 -7.031 60 HE1 TYR 10 1HE TYR 10 5.821 -1.444 -7.160 61 HE2 TYR 10 2HE TYR 10 1.963 -1.824 -9.051 62 HH TYR 10 HH TYR 10 3.943 -2.409 -10.055 63 H ASP 11 H ASP 11 -0.421 2.227 -4.634 64 HA ASP 11 HA ASP 11 -0.166 3.269 -1.856 65 HB2 ASP 11 1HB ASP 11 -1.345 5.243 -2.437 66 HB3 ASP 11 2HB ASP 11 0.027 5.083 -3.525 67 H CYS 12 H CYS 12 -1.854 3.276 -0.555 68 HA CYS 12 HA CYS 12 -4.155 1.494 -1.031 69 HB2 CYS 12 1HB CYS 12 -2.911 1.345 1.034 70 HB3 CYS 12 2HB CYS 12 -3.075 3.084 1.321 71 H HIS 13 H HIS 13 -6.233 2.191 -1.341 72 HA HIS 13 HA HIS 13 -6.678 5.100 -1.752 73 HB2 HIS 13 1HB HIS 13 -8.529 4.558 -3.116 74 HB3 HIS 13 2HB HIS 13 -7.142 3.619 -3.627 75 HD1 HIS 13 1HD HIS 13 -7.535 1.036 -3.828 76 HD2 HIS 13 2HD HIS 13 -10.539 3.159 -1.787 77 HE1 HIS 13 1HE HIS 13 -9.460 -0.602 -3.485 78 H ILE 14 H ILE 14 -6.981 3.135 0.832 79 HA ILE 14 HA ILE 14 -9.581 4.295 1.775 80 HB ILE 14 HB ILE 14 -8.068 1.887 2.847 81 HG12 ILE 14 1HG1 ILE 14 -10.312 0.799 1.906 82 HG13 ILE 14 2HG1 ILE 14 -10.248 2.137 0.759 83 HG21 ILE 14 1HG2 ILE 14 -10.860 2.955 3.441 84 HG22 ILE 14 2HG2 ILE 14 -10.178 1.431 4.050 85 HG23 ILE 14 3HG2 ILE 14 -9.469 2.959 4.556 86 HD11 ILE 14 3HD1 ILE 14 -8.052 0.074 1.254 87 HD12 ILE 14 1HD1 ILE 14 -9.234 0.018 -0.059 88 HD13 ILE 14 2HD1 ILE 14 -8.037 1.322 -0.008 89 H CYS 15 H CYS 15 -6.229 3.718 2.772 90 HA CYS 15 HA CYS 15 -6.481 5.892 4.803 91 HB2 CYS 15 1HB CYS 15 -5.207 4.740 6.353 92 HB3 CYS 15 2HB CYS 15 -6.519 3.684 5.839 93 H GLU 16 H GLU 16 -5.110 5.308 1.980 94 HA GLU 16 HA GLU 16 -3.621 6.431 0.742 95 HB2 GLU 16 1HB GLU 16 -4.733 8.233 2.415 96 HB3 GLU 16 2HB GLU 16 -3.034 8.481 2.812 97 HG2 GLU 16 1HG GLU 16 -2.589 8.733 0.312 98 HG3 GLU 16 2HG GLU 16 -4.326 8.593 0.047 99 H ARG 17 H ARG 17 -2.530 4.680 3.196 100 HA ARG 17 HA ARG 17 0.284 5.243 3.326 101 HB2 ARG 17 1HB ARG 17 -1.351 2.717 3.779 102 HB3 ARG 17 2HB ARG 17 0.407 2.747 3.967 103 HG2 ARG 17 1HG ARG 17 0.263 4.528 5.652 104 HG3 ARG 17 2HG ARG 17 -1.501 4.573 5.466 105 HD2 ARG 17 1HD ARG 17 -1.597 2.174 6.137 106 HD3 ARG 17 2HD ARG 17 0.147 2.169 6.358 107 HE ARG 17 HE ARG 17 -0.040 3.327 8.350 108 HH11 ARG 17 2HH1 ARG 17 -3.283 3.413 6.886 109 HH12 ARG 17 1HH1 ARG 17 -3.974 3.951 8.386 110 HH21 ARG 17 2HH2 ARG 17 -1.053 4.053 10.159 111 HH22 ARG 17 1HH2 ARG 17 -2.768 4.330 10.154 112 H LYS 18 H LYS 18 1.968 3.864 2.560 113 HA LYS 18 HA LYS 18 1.643 3.085 -0.303 114 HB2 LYS 18 1HB LYS 18 3.502 5.295 0.655 115 HB3 LYS 18 2HB LYS 18 3.483 4.593 -0.978 116 HG2 LYS 18 1HG LYS 18 1.068 5.238 -1.173 117 HG3 LYS 18 2HG LYS 18 1.224 6.095 0.377 118 HD2 LYS 18 1HD LYS 18 2.913 7.591 -0.574 119 HD3 LYS 18 2HD LYS 18 2.876 6.674 -2.099 120 HE2 LYS 18 1HE LYS 18 1.498 8.601 -2.406 121 HE3 LYS 18 2HE LYS 18 0.478 7.152 -2.341 122 HZ1 LYS 18 3HZ LYS 18 -0.454 8.986 -1.006 123 HZ2 LYS 18 1HZ LYS 18 0.886 9.057 -0.084 124 HZ3 LYS 18 2HZ LYS 18 -0.080 7.738 -0.014 125 H PHE 19 H PHE 19 3.258 2.062 -1.323 126 HA PHE 19 HA PHE 19 5.272 0.654 0.394 127 HB2 PHE 19 1HB PHE 19 3.233 -0.674 -1.409 128 HB3 PHE 19 2HB PHE 19 4.398 -1.486 -0.392 129 HD1 PHE 19 1HD PHE 19 4.134 -1.558 2.086 130 HD2 PHE 19 2HD PHE 19 1.209 0.360 -0.426 131 HE1 PHE 19 1HE PHE 19 2.581 -1.398 4.017 132 HE2 PHE 19 2HE PHE 19 -0.333 0.559 1.520 133 HZ PHE 19 HZ PHE 19 0.361 -0.313 3.743 134 H LYS 20 H LYS 20 6.820 -0.624 -0.705 135 HA LYS 20 HA LYS 20 7.877 0.636 -3.110 136 HB2 LYS 20 1HB LYS 20 8.867 -1.816 -1.583 137 HB3 LYS 20 2HB LYS 20 9.749 -0.917 -2.819 138 HG2 LYS 20 1HG LYS 20 9.582 1.133 -1.313 139 HG3 LYS 20 2HG LYS 20 8.923 0.054 -0.061 140 HD2 LYS 20 1HD LYS 20 11.002 -1.312 -0.145 141 HD3 LYS 20 2HD LYS 20 11.627 -0.274 -1.431 142 HE2 LYS 20 1HE LYS 20 12.690 0.434 0.567 143 HE3 LYS 20 2HE LYS 20 11.530 1.687 0.127 144 HZ1 LYS 20 3HZ LYS 20 11.087 -0.408 2.196 145 HZ2 LYS 20 1HZ LYS 20 10.021 0.777 1.823 146 HZ3 LYS 20 2HZ LYS 20 11.453 1.149 2.504 147 H ASN 21 H ASN 21 6.331 -2.443 -2.415 148 HA ASN 21 HA ASN 21 6.406 -3.164 -5.320 149 HB2 ASN 21 1HB ASN 21 6.202 -5.089 -2.979 150 HB3 ASN 21 2HB ASN 21 6.387 -5.497 -4.677 151 HD21 ASN 21 1HD2 ASN 21 7.990 -4.765 -1.762 152 HD22 ASN 21 2HD2 ASN 21 9.625 -4.853 -2.411 153 H GLU 22 H GLU 22 4.630 -4.298 -6.156 154 HA GLU 22 HA GLU 22 2.027 -3.335 -5.415 155 HB2 GLU 22 1HB GLU 22 2.831 -4.190 -7.705 156 HB3 GLU 22 2HB GLU 22 2.665 -5.821 -7.065 157 HG2 GLU 22 1HG GLU 22 0.256 -5.417 -6.652 158 HG3 GLU 22 2HG GLU 22 0.427 -3.747 -7.193 159 H LEU 23 H LEU 23 3.761 -6.353 -4.777 160 HA LEU 23 HA LEU 23 1.780 -7.827 -3.395 161 HB2 LEU 23 1HB LEU 23 3.800 -8.868 -4.125 162 HB3 LEU 23 2HB LEU 23 4.811 -7.729 -3.230 163 HG LEU 23 HG LEU 23 4.035 -8.685 -1.083 164 HD11 LEU 23 1HD1 LEU 23 2.819 -10.840 -1.061 165 HD12 LEU 23 2HD1 LEU 23 2.561 -10.713 -2.818 166 HD13 LEU 23 3HD1 LEU 23 1.815 -9.541 -1.704 167 HD21 LEU 23 3HD2 LEU 23 5.247 -10.804 -1.270 168 HD22 LEU 23 1HD2 LEU 23 6.069 -9.521 -2.172 169 HD23 LEU 23 2HD2 LEU 23 5.115 -10.744 -3.043 170 H ASP 24 H ASP 24 4.261 -5.578 -1.995 171 HA ASP 24 HA ASP 24 3.438 -5.955 0.691 172 HB2 ASP 24 1HB ASP 24 4.920 -3.703 -0.689 173 HB3 ASP 24 2HB ASP 24 4.628 -3.726 1.055 174 H ARG 25 H ARG 25 2.180 -3.756 -1.732 175 HA ARG 25 HA ARG 25 0.383 -2.359 0.137 176 HB2 ARG 25 1HB ARG 25 1.365 -1.373 -1.977 177 HB3 ARG 25 2HB ARG 25 0.376 -2.411 -2.915 178 HG2 ARG 25 1HG ARG 25 -0.751 -0.413 -0.862 179 HG3 ARG 25 2HG ARG 25 -0.389 0.016 -2.533 180 HD2 ARG 25 1HD ARG 25 -2.470 -1.906 -1.513 181 HD3 ARG 25 2HD ARG 25 -2.724 -0.384 -2.334 182 HE ARG 25 HE ARG 25 -1.452 -2.793 -3.550 183 HH11 ARG 25 2HH1 ARG 25 -3.029 0.270 -4.207 184 HH12 ARG 25 1HH1 ARG 25 -3.497 -0.227 -5.814 185 HH21 ARG 25 2HH2 ARG 25 -2.318 -3.456 -5.423 186 HH22 ARG 25 1HH2 ARG 25 -3.002 -2.290 -6.553 187 H ASP 26 H ASP 26 0.048 -4.965 -2.293 188 HA ASP 26 HA ASP 26 -2.752 -5.264 -2.028 189 HB2 ASP 26 1HB ASP 26 -0.512 -7.076 -2.979 190 HB3 ASP 26 2HB ASP 26 -2.146 -7.688 -2.820 191 H ARG 27 H ARG 27 -0.122 -6.873 -0.164 192 HA ARG 27 HA ARG 27 -1.958 -8.402 1.485 193 HB2 ARG 27 1HB ARG 27 -0.108 -8.940 2.877 194 HB3 ARG 27 2HB ARG 27 0.324 -9.127 1.175 195 HG2 ARG 27 1HG ARG 27 1.564 -7.023 1.223 196 HG3 ARG 27 2HG ARG 27 1.049 -6.683 2.849 197 HD2 ARG 27 1HD ARG 27 2.255 -8.779 3.608 198 HD3 ARG 27 2HD ARG 27 2.785 -9.024 1.945 199 HE ARG 27 HE ARG 27 4.363 -7.301 2.153 200 HH11 ARG 27 2HH1 ARG 27 2.410 -7.252 5.080 201 HH12 ARG 27 1HH1 ARG 27 3.494 -6.128 5.854 202 HH21 ARG 27 2HH2 ARG 27 5.591 -5.914 3.112 203 HH22 ARG 27 1HH2 ARG 27 5.305 -5.385 4.770 204 H HIS 28 H HIS 28 -0.992 -5.081 1.648 205 HA HIS 28 HA HIS 28 -2.083 -4.661 4.367 206 HB2 HIS 28 1HB HIS 28 -0.312 -3.215 3.761 207 HB3 HIS 28 2HB HIS 28 -0.988 -2.858 2.184 208 HD1 HIS 28 1HD HIS 28 -1.526 -1.930 5.859 209 HD2 HIS 28 2HD HIS 28 -2.891 -1.014 1.986 210 HE1 HIS 28 1HE HIS 28 -2.971 0.135 6.110 211 H MET 29 H MET 29 -3.365 -4.369 0.978 212 HA MET 29 HA MET 29 -5.800 -3.130 1.734 213 HB2 MET 29 1HB MET 29 -5.463 -5.211 -0.438 214 HB3 MET 29 2HB MET 29 -6.769 -4.044 -0.296 215 HG2 MET 29 1HG MET 29 -3.864 -3.460 -0.863 216 HG3 MET 29 2HG MET 29 -5.193 -3.333 -1.987 217 HE1 MET 29 3HE MET 29 -6.631 -1.462 -2.387 218 HE2 MET 29 1HE MET 29 -7.494 -1.675 -0.842 219 HE3 MET 29 2HE MET 29 -6.894 -0.071 -1.322 220 H LEU 30 H LEU 30 -4.788 -6.394 2.370 221 HA LEU 30 HA LEU 30 -7.274 -7.683 2.856 222 HB2 LEU 30 1HB LEU 30 -4.670 -8.018 4.398 223 HB3 LEU 30 2HB LEU 30 -5.987 -9.176 4.302 224 HG LEU 30 HG LEU 30 -4.169 -8.349 2.003 225 HD11 LEU 30 1HD1 LEU 30 -3.305 -10.638 2.172 226 HD12 LEU 30 2HD1 LEU 30 -4.398 -10.971 3.534 227 HD13 LEU 30 3HD1 LEU 30 -3.089 -9.781 3.707 228 HD21 LEU 30 3HD2 LEU 30 -5.201 -10.194 0.745 229 HD22 LEU 30 1HD2 LEU 30 -6.371 -8.923 1.108 230 HD23 LEU 30 2HD2 LEU 30 -6.384 -10.433 2.055 231 H VAL 31 H VAL 31 -5.554 -5.266 4.834 232 HA VAL 31 HA VAL 31 -7.101 -5.762 7.236 233 HB VAL 31 HB VAL 31 -6.057 -3.993 8.222 234 HG11 VAL 31 1HG1 VAL 31 -3.716 -4.200 7.849 235 HG12 VAL 31 2HG1 VAL 31 -4.482 -5.784 7.626 236 HG13 VAL 31 3HG1 VAL 31 -3.964 -4.833 6.215 237 HG21 VAL 31 3HG2 VAL 31 -5.606 -2.678 5.553 238 HG22 VAL 31 1HG2 VAL 31 -6.513 -2.093 6.950 239 HG23 VAL 31 2HG2 VAL 31 -4.754 -2.195 7.031 240 H HIS 32 H HIS 32 -7.736 -4.057 4.352 241 HA HIS 32 HA HIS 32 -10.088 -2.595 5.438 242 HB2 HIS 32 1HB HIS 32 -8.793 -2.447 2.692 243 HB3 HIS 32 2HB HIS 32 -10.025 -1.369 3.338 244 HD1 HIS 32 1HD HIS 32 -8.941 -0.291 5.949 245 HD2 HIS 32 2HD HIS 32 -6.514 -1.257 2.648 246 HE1 HIS 32 1HE HIS 32 -6.807 1.046 6.254 247 H GLY 33 H GLY 33 -9.520 -5.624 4.144 248 HA2 GLY 33 1HA GLY 33 -11.451 -5.847 2.060 249 HA3 GLY 33 2HA GLY 33 -10.720 -7.181 2.938 250 H ASP 34 H ASP 34 -13.570 -5.974 2.093 251 HA ASP 34 HA ASP 34 -15.011 -7.600 4.079 252 HB2 ASP 34 1HB ASP 34 -15.658 -4.686 3.485 253 HB3 ASP 34 2HB ASP 34 -16.879 -5.832 4.024 254 H LYS 35 H LYS 35 -16.075 -9.035 2.931 255 HA LYS 35 HA LYS 35 -16.256 -8.976 0.083 256 HB2 LYS 35 1HB LYS 35 -15.946 -10.966 1.542 257 HB3 LYS 35 2HB LYS 35 -17.620 -10.823 2.088 258 HG2 LYS 35 1HG LYS 35 -18.429 -11.253 -0.201 259 HG3 LYS 35 2HG LYS 35 -16.757 -11.259 -0.808 260 HD2 LYS 35 1HD LYS 35 -16.249 -13.214 0.633 261 HD3 LYS 35 2HD LYS 35 -17.919 -13.201 1.241 262 HE2 LYS 35 1HE LYS 35 -18.760 -13.560 -1.073 263 HE3 LYS 35 2HE LYS 35 -17.100 -13.562 -1.681 264 HZ1 LYS 35 3HZ LYS 35 -17.918 -15.822 -1.339 265 HZ2 LYS 35 1HZ LYS 35 -18.210 -15.541 0.241 266 HZ3 LYS 35 2HZ LYS 35 -16.674 -15.543 -0.322 267 H TRP 36 H TRP 36 -18.645 -8.083 2.502 268 HA TRP 36 HA TRP 36 -20.579 -7.250 0.412 269 HB2 TRP 36 1HB TRP 36 -22.383 -8.131 1.829 270 HB3 TRP 36 2HB TRP 36 -21.365 -9.383 1.146 271 HD1 TRP 36 1HD TRP 36 -19.983 -10.885 2.795 272 HE1 TRP 36 1HE TRP 36 -20.113 -11.342 5.321 273 HE3 TRP 36 3HE TRP 36 -22.949 -6.940 4.183 274 HZ2 TRP 36 2HZ TRP 36 -21.358 -10.162 7.637 275 HZ3 TRP 36 3HZ TRP 36 -23.608 -6.646 6.560 276 HH2 TRP 36 2HH TRP 36 -22.820 -8.245 8.294 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 16.204 17.963 -13.270 2 H2 GLY 1 2H GLY 1 16.688 17.903 -11.705 3 H3 GLY 1 3H GLY 1 15.473 18.906 -12.148 4 HA2 GLY 1 1HA GLY 1 14.050 17.051 -12.708 5 HA3 GLY 1 2HA GLY 1 15.370 15.958 -12.251 6 H SER 2 H SER 2 12.616 16.220 -11.147 7 HA SER 2 HA SER 2 12.880 17.392 -8.475 8 HB2 SER 2 1HB SER 2 10.541 16.708 -8.242 9 HB3 SER 2 2HB SER 2 10.804 17.567 -9.770 10 HG SER 2 HG SER 2 9.568 15.682 -10.109 11 H SER 3 H SER 3 13.457 14.253 -9.795 12 HA SER 3 HA SER 3 13.640 12.152 -9.012 13 HB2 SER 3 1HB SER 3 14.465 13.436 -6.395 14 HB3 SER 3 2HB SER 3 14.746 11.754 -6.878 15 HG SER 3 HG SER 3 16.566 13.101 -7.291 16 H GLY 4 H GLY 4 10.989 13.438 -8.776 17 HA2 GLY 4 1HA GLY 4 9.587 12.466 -6.474 18 HA3 GLY 4 2HA GLY 4 8.870 12.951 -8.008 19 H SER 5 H SER 5 7.896 10.863 -6.438 20 HA SER 5 HA SER 5 7.255 8.700 -6.378 21 HB2 SER 5 1HB SER 5 7.631 8.822 -9.381 22 HB3 SER 5 2HB SER 5 6.625 7.668 -8.486 23 HG SER 5 HG SER 5 5.415 9.454 -9.300 24 H SER 6 H SER 6 10.108 9.042 -5.942 25 HA SER 6 HA SER 6 11.312 6.526 -6.939 26 HB2 SER 6 1HB SER 6 12.625 8.634 -6.903 27 HB3 SER 6 2HB SER 6 12.506 8.650 -5.131 28 HG SER 6 HG SER 6 14.447 7.645 -5.913 29 H GLY 7 H GLY 7 11.911 4.816 -5.629 30 HA2 GLY 7 1HA GLY 7 11.919 3.350 -3.838 31 HA3 GLY 7 2HA GLY 7 11.498 4.690 -2.763 32 H LEU 8 H LEU 8 9.135 5.493 -3.176 33 HA LEU 8 HA LEU 8 7.356 3.164 -2.728 34 HB2 LEU 8 1HB LEU 8 6.939 6.155 -2.370 35 HB3 LEU 8 2HB LEU 8 5.735 4.919 -2.010 36 HG LEU 8 HG LEU 8 8.452 5.152 -0.627 37 HD11 LEU 8 1HD1 LEU 8 7.130 5.949 1.296 38 HD12 LEU 8 2HD1 LEU 8 5.656 5.925 0.296 39 HD13 LEU 8 3HD1 LEU 8 6.985 7.032 -0.097 40 HD21 LEU 8 3HD2 LEU 8 7.450 3.566 1.013 41 HD22 LEU 8 1HD2 LEU 8 7.632 2.832 -0.584 42 HD23 LEU 8 2HD2 LEU 8 6.034 3.393 -0.043 43 H LEU 9 H LEU 9 6.062 2.420 -4.165 44 HA LEU 9 HA LEU 9 5.557 3.940 -6.704 45 HB2 LEU 9 1HB LEU 9 6.352 1.052 -6.201 46 HB3 LEU 9 2HB LEU 9 5.729 1.611 -7.745 47 HG LEU 9 HG LEU 9 8.279 2.635 -6.408 48 HD11 LEU 9 1HD1 LEU 9 7.885 0.757 -8.777 49 HD12 LEU 9 2HD1 LEU 9 8.458 0.295 -7.160 50 HD13 LEU 9 3HD1 LEU 9 9.441 1.367 -8.166 51 HD21 LEU 9 3HD2 LEU 9 7.132 3.157 -9.189 52 HD22 LEU 9 1HD2 LEU 9 8.757 3.626 -8.640 53 HD23 LEU 9 2HD2 LEU 9 7.341 4.354 -7.889 54 H TYR 10 H TYR 10 4.124 1.907 -4.256 55 HA TYR 10 HA TYR 10 1.537 1.825 -5.766 56 HB2 TYR 10 1HB TYR 10 2.663 -0.239 -3.841 57 HB3 TYR 10 2HB TYR 10 1.118 -0.321 -4.650 58 HD1 TYR 10 1HD TYR 10 4.787 -0.493 -5.138 59 HD2 TYR 10 2HD TYR 10 0.929 -0.859 -7.034 60 HE1 TYR 10 1HE TYR 10 5.880 -1.388 -7.201 61 HE2 TYR 10 2HE TYR 10 2.012 -1.798 -9.064 62 HH TYR 10 HH TYR 10 3.991 -2.356 -10.087 63 H ASP 11 H ASP 11 -0.365 2.206 -4.670 64 HA ASP 11 HA ASP 11 -0.138 3.302 -1.910 65 HB2 ASP 11 1HB ASP 11 -1.297 5.269 -2.539 66 HB3 ASP 11 2HB ASP 11 0.068 5.081 -3.629 67 H CYS 12 H CYS 12 -1.845 3.341 -0.627 68 HA CYS 12 HA CYS 12 -4.183 1.606 -1.171 69 HB2 CYS 12 1HB CYS 12 -2.980 1.322 0.906 70 HB3 CYS 12 2HB CYS 12 -3.103 3.052 1.271 71 H HIS 13 H HIS 13 -6.185 2.386 -1.562 72 HA HIS 13 HA HIS 13 -6.566 5.322 -1.808 73 HB2 HIS 13 1HB HIS 13 -8.381 4.875 -3.260 74 HB3 HIS 13 2HB HIS 13 -7.004 3.917 -3.777 75 HD1 HIS 13 1HD HIS 13 -10.474 3.474 -2.151 76 HD2 HIS 13 2HD HIS 13 -7.300 1.263 -3.799 77 HE1 HIS 13 1HE HIS 13 -11.328 1.080 -2.427 78 H ILE 14 H ILE 14 -7.006 3.182 0.634 79 HA ILE 14 HA ILE 14 -9.627 4.301 1.552 80 HB ILE 14 HB ILE 14 -8.130 1.873 2.598 81 HG12 ILE 14 1HG1 ILE 14 -10.292 0.771 1.503 82 HG13 ILE 14 2HG1 ILE 14 -10.191 2.140 0.397 83 HG21 ILE 14 1HG2 ILE 14 -10.972 2.859 3.066 84 HG22 ILE 14 2HG2 ILE 14 -10.285 1.335 3.670 85 HG23 ILE 14 3HG2 ILE 14 -9.648 2.867 4.257 86 HD11 ILE 14 3HD1 ILE 14 -7.976 0.118 0.963 87 HD12 ILE 14 1HD1 ILE 14 -9.098 0.060 -0.401 88 HD13 ILE 14 2HD1 ILE 14 -7.932 1.388 -0.276 89 H CYS 15 H CYS 15 -6.294 3.721 2.618 90 HA CYS 15 HA CYS 15 -6.633 5.775 4.753 91 HB2 CYS 15 1HB CYS 15 -5.475 4.517 6.314 92 HB3 CYS 15 2HB CYS 15 -6.780 3.517 5.671 93 H GLU 16 H GLU 16 -5.118 5.331 1.990 94 HA GLU 16 HA GLU 16 -3.540 6.488 0.910 95 HB2 GLU 16 1HB GLU 16 -4.789 8.203 2.553 96 HB3 GLU 16 2HB GLU 16 -3.142 8.439 3.130 97 HG2 GLU 16 1HG GLU 16 -2.441 8.889 0.738 98 HG3 GLU 16 2HG GLU 16 -4.118 8.650 0.244 99 H ARG 17 H ARG 17 -2.578 4.496 3.118 100 HA ARG 17 HA ARG 17 0.259 5.097 3.415 101 HB2 ARG 17 1HB ARG 17 -1.548 2.733 3.883 102 HB3 ARG 17 2HB ARG 17 0.166 2.389 3.645 103 HG2 ARG 17 1HG ARG 17 0.850 3.797 5.438 104 HG3 ARG 17 2HG ARG 17 -0.765 4.487 5.641 105 HD2 ARG 17 1HD ARG 17 -0.299 1.500 5.951 106 HD3 ARG 17 2HD ARG 17 0.069 2.628 7.255 107 HE ARG 17 HE ARG 17 -2.635 2.794 6.004 108 HH11 ARG 17 2HH1 ARG 17 -0.877 1.837 8.893 109 HH12 ARG 17 1HH1 ARG 17 -2.339 1.802 9.842 110 HH21 ARG 17 2HH2 ARG 17 -4.357 2.683 7.173 111 HH22 ARG 17 1HH2 ARG 17 -4.304 2.290 8.888 112 H LYS 18 H LYS 18 1.992 3.915 2.491 113 HA LYS 18 HA LYS 18 1.614 3.113 -0.348 114 HB2 LYS 18 1HB LYS 18 3.446 5.355 0.588 115 HB3 LYS 18 2HB LYS 18 3.519 4.581 -1.006 116 HG2 LYS 18 1HG LYS 18 1.106 5.225 -1.358 117 HG3 LYS 18 2HG LYS 18 1.213 6.205 0.121 118 HD2 LYS 18 1HD LYS 18 3.076 7.498 -0.877 119 HD3 LYS 18 2HD LYS 18 2.976 6.497 -2.352 120 HE2 LYS 18 1HE LYS 18 0.645 7.194 -2.683 121 HE3 LYS 18 2HE LYS 18 0.714 8.180 -1.214 122 HZ1 LYS 18 3HZ LYS 18 2.433 9.542 -2.284 123 HZ2 LYS 18 1HZ LYS 18 1.086 9.536 -3.201 124 HZ3 LYS 18 2HZ LYS 18 2.371 8.635 -3.645 125 H PHE 19 H PHE 19 3.264 2.051 -1.340 126 HA PHE 19 HA PHE 19 5.242 0.676 0.438 127 HB2 PHE 19 1HB PHE 19 3.234 -0.677 -1.379 128 HB3 PHE 19 2HB PHE 19 4.398 -1.485 -0.358 129 HD1 PHE 19 1HD PHE 19 4.148 -1.519 2.131 130 HD2 PHE 19 2HD PHE 19 1.190 0.312 -0.408 131 HE1 PHE 19 1HE PHE 19 2.585 -1.382 4.054 132 HE2 PHE 19 2HE PHE 19 -0.368 0.484 1.531 133 HZ PHE 19 HZ PHE 19 0.337 -0.359 3.767 134 H LYS 20 H LYS 20 6.774 -0.657 -0.634 135 HA LYS 20 HA LYS 20 7.920 0.678 -2.954 136 HB2 LYS 20 1HB LYS 20 8.854 -1.707 -1.292 137 HB3 LYS 20 2HB LYS 20 9.798 -0.931 -2.565 138 HG2 LYS 20 1HG LYS 20 9.706 1.228 -1.299 139 HG3 LYS 20 2HG LYS 20 8.834 0.401 0.006 140 HD2 LYS 20 1HD LYS 20 10.756 -1.138 0.317 141 HD3 LYS 20 2HD LYS 20 11.634 -0.301 -0.982 142 HE2 LYS 20 1HE LYS 20 11.516 1.819 0.309 143 HE3 LYS 20 2HE LYS 20 10.638 0.990 1.601 144 HZ1 LYS 20 3HZ LYS 20 13.009 1.144 2.102 145 HZ2 LYS 20 1HZ LYS 20 13.409 0.341 0.739 146 HZ3 LYS 20 2HZ LYS 20 12.597 -0.424 1.933 147 H ASN 21 H ASN 21 6.341 -2.440 -2.455 148 HA ASN 21 HA ASN 21 6.400 -2.880 -5.406 149 HB2 ASN 21 1HB ASN 21 6.549 -5.350 -4.947 150 HB3 ASN 21 2HB ASN 21 8.011 -4.464 -4.591 151 HD21 ASN 21 1HD2 ASN 21 8.735 -4.324 -2.428 152 HD22 ASN 21 2HD2 ASN 21 7.838 -5.058 -1.087 153 H GLU 22 H GLU 22 4.707 -4.198 -6.206 154 HA GLU 22 HA GLU 22 2.136 -3.320 -5.407 155 HB2 GLU 22 1HB GLU 22 2.933 -4.162 -7.697 156 HB3 GLU 22 2HB GLU 22 2.778 -5.797 -7.068 157 HG2 GLU 22 1HG GLU 22 0.368 -5.418 -6.660 158 HG3 GLU 22 2HG GLU 22 0.524 -3.738 -7.176 159 H LEU 23 H LEU 23 3.891 -6.313 -4.729 160 HA LEU 23 HA LEU 23 1.868 -7.824 -3.447 161 HB2 LEU 23 1HB LEU 23 3.878 -8.861 -4.145 162 HB3 LEU 23 2HB LEU 23 4.904 -7.739 -3.254 163 HG LEU 23 HG LEU 23 4.059 -8.710 -1.096 164 HD11 LEU 23 1HD1 LEU 23 2.615 -10.706 -2.895 165 HD12 LEU 23 2HD1 LEU 23 1.850 -9.542 -1.788 166 HD13 LEU 23 3HD1 LEU 23 2.827 -10.855 -1.135 167 HD21 LEU 23 3HD2 LEU 23 6.112 -9.570 -2.153 168 HD22 LEU 23 1HD2 LEU 23 5.155 -10.767 -3.055 169 HD23 LEU 23 2HD2 LEU 23 5.248 -10.846 -1.280 170 H ASP 24 H ASP 24 4.305 -5.638 -1.918 171 HA ASP 24 HA ASP 24 3.380 -5.967 0.715 172 HB2 ASP 24 1HB ASP 24 5.062 -3.875 -0.638 173 HB3 ASP 24 2HB ASP 24 4.526 -3.635 1.019 174 H ARG 25 H ARG 25 2.201 -3.791 -1.756 175 HA ARG 25 HA ARG 25 0.356 -2.391 0.078 176 HB2 ARG 25 1HB ARG 25 1.383 -1.375 -1.992 177 HB3 ARG 25 2HB ARG 25 0.416 -2.405 -2.970 178 HG2 ARG 25 1HG ARG 25 -0.755 -0.443 -0.906 179 HG3 ARG 25 2HG ARG 25 -0.361 0.018 -2.560 180 HD2 ARG 25 1HD ARG 25 -2.476 -1.909 -1.613 181 HD3 ARG 25 2HD ARG 25 -2.695 -0.382 -2.430 182 HE ARG 25 HE ARG 25 -1.402 -2.784 -3.635 183 HH11 ARG 25 2HH1 ARG 25 -2.964 0.286 -4.293 184 HH12 ARG 25 1HH1 ARG 25 -3.386 -0.189 -5.920 185 HH21 ARG 25 2HH2 ARG 25 -2.212 -3.422 -5.543 186 HH22 ARG 25 1HH2 ARG 25 -2.867 -2.241 -6.673 187 H ASP 26 H ASP 26 0.089 -4.981 -2.377 188 HA ASP 26 HA ASP 26 -2.723 -5.269 -2.192 189 HB2 ASP 26 1HB ASP 26 -0.462 -7.067 -3.114 190 HB3 ASP 26 2HB ASP 26 -2.091 -7.692 -2.986 191 H ARG 27 H ARG 27 -0.143 -6.917 -0.275 192 HA ARG 27 HA ARG 27 -2.064 -8.410 1.319 193 HB2 ARG 27 1HB ARG 27 -0.271 -9.000 2.759 194 HB3 ARG 27 2HB ARG 27 0.217 -9.188 1.073 195 HG2 ARG 27 1HG ARG 27 1.515 -7.125 1.171 196 HG3 ARG 27 2HG ARG 27 0.933 -6.755 2.772 197 HD2 ARG 27 1HD ARG 27 2.021 -8.920 3.573 198 HD3 ARG 27 2HD ARG 27 2.682 -9.114 1.950 199 HE ARG 27 HE ARG 27 4.181 -7.307 2.299 200 HH11 ARG 27 1HH1 ARG 27 2.197 -7.637 5.193 201 HH12 ARG 27 2HH1 ARG 27 3.265 -6.601 6.101 202 HH21 ARG 27 2HH2 ARG 27 5.383 -6.079 3.416 203 HH22 ARG 27 1HH2 ARG 27 5.084 -5.720 5.121 204 H HIS 28 H HIS 28 -0.963 -5.103 1.548 205 HA HIS 28 HA HIS 28 -2.106 -4.672 4.223 206 HB2 HIS 28 1HB HIS 28 -0.359 -3.205 3.621 207 HB3 HIS 28 2HB HIS 28 -1.025 -2.868 2.033 208 HD1 HIS 28 1HD HIS 28 -1.652 -1.961 5.702 209 HD2 HIS 28 2HD HIS 28 -2.978 -1.071 1.810 210 HE1 HIS 28 1HE HIS 28 -3.214 0.017 5.942 211 H MET 29 H MET 29 -3.397 -4.434 0.836 212 HA MET 29 HA MET 29 -5.811 -3.146 1.557 213 HB2 MET 29 1HB MET 29 -5.454 -5.275 -0.577 214 HB3 MET 29 2HB MET 29 -6.796 -4.145 -0.454 215 HG2 MET 29 1HG MET 29 -3.906 -3.440 -0.982 216 HG3 MET 29 2HG MET 29 -5.208 -3.437 -2.148 217 HE1 MET 29 3HE MET 29 -7.120 -0.269 -1.701 218 HE2 MET 29 1HE MET 29 -6.741 -1.692 -2.681 219 HE3 MET 29 2HE MET 29 -7.642 -1.876 -1.155 220 H LEU 30 H LEU 30 -4.857 -6.420 2.250 221 HA LEU 30 HA LEU 30 -7.370 -7.649 2.753 222 HB2 LEU 30 1HB LEU 30 -4.769 -8.030 4.287 223 HB3 LEU 30 2HB LEU 30 -6.108 -9.162 4.206 224 HG LEU 30 HG LEU 30 -4.292 -8.383 1.884 225 HD11 LEU 30 1HD1 LEU 30 -3.454 -10.682 2.074 226 HD12 LEU 30 2HD1 LEU 30 -4.536 -10.981 3.454 227 HD13 LEU 30 3HD1 LEU 30 -3.211 -9.805 3.594 228 HD21 LEU 30 3HD2 LEU 30 -6.522 -8.948 1.029 229 HD22 LEU 30 1HD2 LEU 30 -6.516 -10.457 1.976 230 HD23 LEU 30 2HD2 LEU 30 -5.353 -10.218 0.651 231 H VAL 31 H VAL 31 -5.566 -5.274 4.736 232 HA VAL 31 HA VAL 31 -7.035 -5.787 7.163 233 HB VAL 31 HB VAL 31 -6.012 -3.968 8.121 234 HG11 VAL 31 1HG1 VAL 31 -4.422 -5.738 7.497 235 HG12 VAL 31 2HG1 VAL 31 -3.971 -4.802 6.056 236 HG13 VAL 31 3HG1 VAL 31 -3.679 -4.138 7.669 237 HG21 VAL 31 3HG2 VAL 31 -5.640 -2.686 5.415 238 HG22 VAL 31 1HG2 VAL 31 -6.545 -2.095 6.811 239 HG23 VAL 31 2HG2 VAL 31 -4.784 -2.158 6.879 240 H HIS 32 H HIS 32 -7.830 -4.033 4.330 241 HA HIS 32 HA HIS 32 -10.093 -2.574 5.547 242 HB2 HIS 32 1HB HIS 32 -9.074 -2.627 2.684 243 HB3 HIS 32 2HB HIS 32 -10.287 -1.531 3.344 244 HD1 HIS 32 1HD HIS 32 -9.059 -0.304 5.819 245 HD2 HIS 32 2HD HIS 32 -6.799 -1.390 2.440 246 HE1 HIS 32 1HE HIS 32 -6.907 1.017 5.986 247 H GLY 33 H GLY 33 -9.644 -5.691 4.414 248 HA2 GLY 33 1HA GLY 33 -12.132 -6.181 3.022 249 HA3 GLY 33 2HA GLY 33 -11.080 -7.389 3.758 250 H ASP 34 H ASP 34 -14.067 -6.959 3.756 251 HA ASP 34 HA ASP 34 -14.680 -6.614 6.646 252 HB2 ASP 34 1HB ASP 34 -15.795 -5.258 4.859 253 HB3 ASP 34 2HB ASP 34 -16.510 -6.742 4.229 254 H LYS 35 H LYS 35 -14.083 -9.192 4.582 255 HA LYS 35 HA LYS 35 -16.188 -11.017 5.342 256 HB2 LYS 35 1HB LYS 35 -14.955 -10.986 3.166 257 HB3 LYS 35 2HB LYS 35 -13.492 -11.498 3.997 258 HG2 LYS 35 1HG LYS 35 -14.529 -13.329 2.798 259 HG3 LYS 35 2HG LYS 35 -14.507 -13.671 4.522 260 HD2 LYS 35 1HD LYS 35 -16.904 -13.037 4.691 261 HD3 LYS 35 2HD LYS 35 -16.940 -12.647 2.968 262 HE2 LYS 35 1HE LYS 35 -16.290 -15.394 4.140 263 HE3 LYS 35 2HE LYS 35 -17.898 -14.894 3.615 264 HZ1 LYS 35 3HZ LYS 35 -16.782 -16.118 1.865 265 HZ2 LYS 35 1HZ LYS 35 -15.523 -15.085 1.842 266 HZ3 LYS 35 2HZ LYS 35 -17.006 -14.582 1.367 267 H TRP 36 H TRP 36 -13.280 -10.169 6.936 268 HA TRP 36 HA TRP 36 -12.499 -12.649 8.057 269 HB2 TRP 36 1HB TRP 36 -11.947 -9.912 9.192 270 HB3 TRP 36 2HB TRP 36 -11.018 -11.384 9.444 271 HD1 TRP 36 1HD TRP 36 -10.831 -8.350 7.638 272 HE1 TRP 36 1HE TRP 36 -9.248 -8.440 5.610 273 HE3 TRP 36 3HE TRP 36 -10.458 -13.435 7.138 274 HZ2 TRP 36 2HZ TRP 36 -8.148 -10.461 3.875 275 HZ3 TRP 36 3HZ TRP 36 -9.146 -14.415 5.271 276 HH2 TRP 36 2HH TRP 36 -7.990 -12.943 3.635 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 3.291 18.270 -2.131 2 H2 GLY 1 2H GLY 1 4.799 18.908 -2.127 3 H3 GLY 1 3H GLY 1 3.725 19.340 -0.965 4 HA2 GLY 1 1HA GLY 1 5.339 17.800 -0.062 5 HA3 GLY 1 2HA GLY 1 3.699 17.120 -0.053 6 H SER 2 H SER 2 5.926 15.511 0.083 7 HA SER 2 HA SER 2 7.033 13.749 -0.725 8 HB2 SER 2 1HB SER 2 5.941 12.156 -2.013 9 HB3 SER 2 2HB SER 2 4.669 13.008 -1.142 10 HG SER 2 HG SER 2 4.479 14.323 -3.130 11 H SER 3 H SER 3 7.801 12.600 -2.995 12 HA SER 3 HA SER 3 8.886 14.626 -4.850 13 HB2 SER 3 1HB SER 3 10.542 14.600 -3.053 14 HB3 SER 3 2HB SER 3 10.650 12.831 -3.137 15 HG SER 3 HG SER 3 12.305 14.065 -4.316 16 H GLY 4 H GLY 4 9.429 13.817 -6.841 17 HA2 GLY 4 1HA GLY 4 8.425 11.259 -7.728 18 HA3 GLY 4 2HA GLY 4 9.429 12.388 -8.648 19 H SER 5 H SER 5 11.454 12.164 -6.267 20 HA SER 5 HA SER 5 12.967 9.854 -7.271 21 HB2 SER 5 1HB SER 5 13.651 11.891 -5.126 22 HB3 SER 5 2HB SER 5 14.757 10.693 -5.823 23 HG SER 5 HG SER 5 14.957 12.756 -6.825 24 H SER 6 H SER 6 10.481 9.918 -5.127 25 HA SER 6 HA SER 6 11.448 8.549 -2.825 26 HB2 SER 6 1HB SER 6 9.299 9.707 -2.915 27 HB3 SER 6 2HB SER 6 8.683 8.528 -4.090 28 HG SER 6 HG SER 6 8.146 8.169 -1.801 29 H GLY 7 H GLY 7 11.360 6.422 -2.177 30 HA2 GLY 7 1HA GLY 7 11.795 4.281 -4.120 31 HA3 GLY 7 2HA GLY 7 11.725 4.159 -2.349 32 H LEU 8 H LEU 8 8.949 5.685 -2.942 33 HA LEU 8 HA LEU 8 7.431 3.159 -2.688 34 HB2 LEU 8 1HB LEU 8 6.701 6.046 -2.105 35 HB3 LEU 8 2HB LEU 8 5.685 4.646 -1.766 36 HG LEU 8 HG LEU 8 8.468 5.022 -0.544 37 HD11 LEU 8 1HD1 LEU 8 7.305 5.732 1.484 38 HD12 LEU 8 2HD1 LEU 8 5.751 5.722 0.606 39 HD13 LEU 8 3HD1 LEU 8 7.040 6.851 0.138 40 HD21 LEU 8 3HD2 LEU 8 7.665 2.680 -0.546 41 HD22 LEU 8 1HD2 LEU 8 6.144 3.207 0.209 42 HD23 LEU 8 2HD2 LEU 8 7.678 3.353 1.088 43 H LEU 9 H LEU 9 6.179 2.402 -4.148 44 HA LEU 9 HA LEU 9 5.628 3.985 -6.639 45 HB2 LEU 9 1HB LEU 9 6.327 1.064 -6.177 46 HB3 LEU 9 2HB LEU 9 5.782 1.697 -7.720 47 HG LEU 9 HG LEU 9 8.332 2.522 -6.251 48 HD11 LEU 9 1HD1 LEU 9 8.400 0.236 -7.174 49 HD12 LEU 9 2HD1 LEU 9 9.479 1.321 -8.061 50 HD13 LEU 9 3HD1 LEU 9 7.914 0.854 -8.766 51 HD21 LEU 9 3HD2 LEU 9 7.550 4.402 -7.615 52 HD22 LEU 9 1HD2 LEU 9 7.295 3.322 -9.008 53 HD23 LEU 9 2HD2 LEU 9 8.935 3.640 -8.397 54 H TYR 10 H TYR 10 4.157 1.935 -4.226 55 HA TYR 10 HA TYR 10 1.568 1.936 -5.730 56 HB2 TYR 10 1HB TYR 10 2.640 -0.182 -3.835 57 HB3 TYR 10 2HB TYR 10 1.101 -0.218 -4.661 58 HD1 TYR 10 1HD TYR 10 4.767 -0.471 -5.110 59 HD2 TYR 10 2HD TYR 10 0.927 -0.724 -7.053 60 HE1 TYR 10 1HE TYR 10 5.861 -1.397 -7.158 61 HE2 TYR 10 2HE TYR 10 2.009 -1.680 -9.076 62 HH TYR 10 HH TYR 10 3.983 -2.294 -10.073 63 H ASP 11 H ASP 11 -0.307 2.382 -4.650 64 HA ASP 11 HA ASP 11 -0.078 3.361 -1.847 65 HB2 ASP 11 1HB ASP 11 -1.245 5.347 -2.393 66 HB3 ASP 11 2HB ASP 11 0.127 5.207 -3.482 67 H CYS 12 H CYS 12 -1.785 3.328 -0.559 68 HA CYS 12 HA CYS 12 -3.982 1.450 -1.073 69 HB2 CYS 12 1HB CYS 12 -2.777 1.393 1.021 70 HB3 CYS 12 2HB CYS 12 -3.080 3.118 1.297 71 H HIS 13 H HIS 13 -6.014 2.002 -1.599 72 HA HIS 13 HA HIS 13 -6.728 4.858 -1.910 73 HB2 HIS 13 1HB HIS 13 -8.559 4.096 -3.286 74 HB3 HIS 13 2HB HIS 13 -7.017 3.475 -3.843 75 HD1 HIS 13 1HD HIS 13 -6.896 0.873 -4.176 76 HD2 HIS 13 2HD HIS 13 -10.228 2.249 -2.006 77 HE1 HIS 13 1HE HIS 13 -8.444 -1.134 -3.894 78 H ILE 14 H ILE 14 -6.878 2.879 0.667 79 HA ILE 14 HA ILE 14 -9.570 3.819 1.599 80 HB ILE 14 HB ILE 14 -7.785 1.762 2.869 81 HG12 ILE 14 1HG1 ILE 14 -8.437 0.918 0.661 82 HG13 ILE 14 2HG1 ILE 14 -9.148 0.013 1.970 83 HG21 ILE 14 1HG2 ILE 14 -10.677 2.560 3.352 84 HG22 ILE 14 2HG2 ILE 14 -9.931 1.095 4.018 85 HG23 ILE 14 3HG2 ILE 14 -9.313 2.679 4.480 86 HD11 ILE 14 3HD1 ILE 14 -10.626 2.097 0.348 87 HD12 ILE 14 1HD1 ILE 14 -10.695 0.331 0.122 88 HD13 ILE 14 2HD1 ILE 14 -11.313 1.048 1.618 89 H CYS 15 H CYS 15 -6.126 3.699 2.543 90 HA CYS 15 HA CYS 15 -6.595 5.838 4.560 91 HB2 CYS 15 1HB CYS 15 -5.312 4.767 6.171 92 HB3 CYS 15 2HB CYS 15 -6.582 3.675 5.632 93 H GLU 16 H GLU 16 -5.058 5.289 1.800 94 HA GLU 16 HA GLU 16 -3.525 6.413 0.628 95 HB2 GLU 16 1HB GLU 16 -4.743 8.230 2.193 96 HB3 GLU 16 2HB GLU 16 -3.079 8.490 2.714 97 HG2 GLU 16 1HG GLU 16 -2.453 8.723 0.246 98 HG3 GLU 16 2HG GLU 16 -4.168 8.584 -0.140 99 H ARG 17 H ARG 17 -2.549 4.688 3.144 100 HA ARG 17 HA ARG 17 0.271 5.238 3.367 101 HB2 ARG 17 1HB ARG 17 -1.394 2.719 3.757 102 HB3 ARG 17 2HB ARG 17 0.360 2.735 3.989 103 HG2 ARG 17 1HG ARG 17 0.189 4.502 5.683 104 HG3 ARG 17 2HG ARG 17 -1.568 4.567 5.451 105 HD2 ARG 17 1HD ARG 17 -1.708 2.163 6.106 106 HD3 ARG 17 2HD ARG 17 0.029 2.143 6.377 107 HE ARG 17 HE ARG 17 -0.211 3.273 8.374 108 HH11 ARG 17 2HH1 ARG 17 -3.390 3.459 6.789 109 HH12 ARG 17 1HH1 ARG 17 -4.121 4.031 8.258 110 HH21 ARG 17 2HH2 ARG 17 -1.269 4.035 10.145 111 HH22 ARG 17 1HH2 ARG 17 -2.973 4.369 10.074 112 H LYS 18 H LYS 18 1.963 3.825 2.627 113 HA LYS 18 HA LYS 18 1.684 3.102 -0.259 114 HB2 LYS 18 1HB LYS 18 3.548 5.266 0.785 115 HB3 LYS 18 2HB LYS 18 3.567 4.593 -0.862 116 HG2 LYS 18 1HG LYS 18 1.168 5.277 -1.113 117 HG3 LYS 18 2HG LYS 18 1.291 6.102 0.457 118 HD2 LYS 18 1HD LYS 18 3.044 7.579 -0.412 119 HD3 LYS 18 2HD LYS 18 3.022 6.697 -1.959 120 HE2 LYS 18 1HE LYS 18 1.703 8.665 -2.251 121 HE3 LYS 18 2HE LYS 18 0.648 7.240 -2.253 122 HZ1 LYS 18 3HZ LYS 18 -0.278 9.064 -0.896 123 HZ2 LYS 18 1HZ LYS 18 1.036 9.075 0.066 124 HZ3 LYS 18 2HZ LYS 18 0.035 7.781 0.072 125 H PHE 19 H PHE 19 3.291 2.071 -1.269 126 HA PHE 19 HA PHE 19 5.258 0.598 0.448 127 HB2 PHE 19 1HB PHE 19 3.225 -0.658 -1.415 128 HB3 PHE 19 2HB PHE 19 4.360 -1.509 -0.395 129 HD1 PHE 19 1HD PHE 19 4.066 -1.612 2.079 130 HD2 PHE 19 2HD PHE 19 1.197 0.384 -0.444 131 HE1 PHE 19 1HE PHE 19 2.495 -1.443 3.995 132 HE2 PHE 19 2HE PHE 19 -0.358 0.591 1.488 133 HZ PHE 19 HZ PHE 19 0.299 -0.313 3.711 134 H LYS 20 H LYS 20 6.798 -0.685 -0.647 135 HA LYS 20 HA LYS 20 7.926 0.584 -3.015 136 HB2 LYS 20 1HB LYS 20 8.814 -1.917 -1.501 137 HB3 LYS 20 2HB LYS 20 9.747 -1.044 -2.718 138 HG2 LYS 20 1HG LYS 20 9.651 1.000 -1.217 139 HG3 LYS 20 2HG LYS 20 8.899 -0.031 0.023 140 HD2 LYS 20 1HD LYS 20 10.883 -1.514 0.006 141 HD3 LYS 20 2HD LYS 20 11.642 -0.488 -1.234 142 HE2 LYS 20 1HE LYS 20 11.555 1.450 0.322 143 HE3 LYS 20 2HE LYS 20 10.806 0.430 1.556 144 HZ1 LYS 20 3HZ LYS 20 13.203 0.612 1.899 145 HZ2 LYS 20 1HZ LYS 20 13.520 0.003 0.418 146 HZ3 LYS 20 2HZ LYS 20 12.826 -0.938 1.560 147 H ASN 21 H ASN 21 6.275 -2.462 -2.395 148 HA ASN 21 HA ASN 21 6.375 -3.134 -5.311 149 HB2 ASN 21 1HB ASN 21 6.118 -5.098 -3.006 150 HB3 ASN 21 2HB ASN 21 6.304 -5.480 -4.711 151 HD21 ASN 21 1HD2 ASN 21 7.907 -4.814 -1.774 152 HD22 ASN 21 2HD2 ASN 21 9.541 -4.931 -2.417 153 H GLU 22 H GLU 22 4.586 -4.222 -6.184 154 HA GLU 22 HA GLU 22 1.991 -3.233 -5.446 155 HB2 GLU 22 1HB GLU 22 2.806 -4.068 -7.744 156 HB3 GLU 22 2HB GLU 22 2.604 -5.705 -7.130 157 HG2 GLU 22 1HG GLU 22 0.198 -5.259 -6.730 158 HG3 GLU 22 2HG GLU 22 0.405 -3.586 -7.248 159 H LEU 23 H LEU 23 3.675 -6.292 -4.856 160 HA LEU 23 HA LEU 23 1.664 -7.762 -3.521 161 HB2 LEU 23 1HB LEU 23 3.675 -8.811 -4.259 162 HB3 LEU 23 2HB LEU 23 4.693 -7.711 -3.325 163 HG LEU 23 HG LEU 23 3.877 -8.713 -1.211 164 HD11 LEU 23 1HD1 LEU 23 2.400 -10.675 -3.021 165 HD12 LEU 23 2HD1 LEU 23 1.654 -9.522 -1.888 166 HD13 LEU 23 3HD1 LEU 23 2.632 -10.851 -1.265 167 HD21 LEU 23 3HD2 LEU 23 5.064 -10.842 -1.442 168 HD22 LEU 23 1HD2 LEU 23 5.915 -9.547 -2.298 169 HD23 LEU 23 2HD2 LEU 23 4.956 -10.732 -3.214 170 H ASP 24 H ASP 24 4.163 -5.581 -2.049 171 HA ASP 24 HA ASP 24 3.314 -5.993 0.621 172 HB2 ASP 24 1HB ASP 24 4.823 -3.730 -0.703 173 HB3 ASP 24 2HB ASP 24 4.522 -3.789 1.038 174 H ARG 25 H ARG 25 2.101 -3.738 -1.768 175 HA ARG 25 HA ARG 25 0.315 -2.335 0.107 176 HB2 ARG 25 1HB ARG 25 1.341 -1.333 -1.973 177 HB3 ARG 25 2HB ARG 25 0.360 -2.346 -2.944 178 HG2 ARG 25 1HG ARG 25 -0.801 -0.374 -0.890 179 HG3 ARG 25 2HG ARG 25 -0.376 0.093 -2.538 180 HD2 ARG 25 1HD ARG 25 -2.520 -1.833 -1.646 181 HD3 ARG 25 2HD ARG 25 -2.721 -0.285 -2.441 182 HE ARG 25 HE ARG 25 -1.450 -2.698 -3.649 183 HH11 ARG 25 2HH1 ARG 25 -2.885 0.427 -4.326 184 HH12 ARG 25 1HH1 ARG 25 -3.280 -0.025 -5.967 185 HH21 ARG 25 2HH2 ARG 25 -2.243 -3.302 -5.563 186 HH22 ARG 25 1HH2 ARG 25 -2.822 -2.100 -6.712 187 H ASP 26 H ASP 26 -0.033 -4.894 -2.359 188 HA ASP 26 HA ASP 26 -2.846 -5.154 -2.144 189 HB2 ASP 26 1HB ASP 26 -0.619 -6.976 -3.101 190 HB3 ASP 26 2HB ASP 26 -2.260 -7.571 -2.970 191 H ARG 27 H ARG 27 -0.251 -6.835 -0.301 192 HA ARG 27 HA ARG 27 -2.119 -8.357 1.322 193 HB2 ARG 27 1HB ARG 27 -0.281 -8.993 2.676 194 HB3 ARG 27 2HB ARG 27 0.152 -9.125 0.969 195 HG2 ARG 27 1HG ARG 27 1.438 -7.048 1.103 196 HG3 ARG 27 2HG ARG 27 0.930 -6.765 2.741 197 HD2 ARG 27 1HD ARG 27 2.088 -8.922 3.407 198 HD3 ARG 27 2HD ARG 27 2.618 -9.102 1.736 199 HE ARG 27 HE ARG 27 4.222 -7.410 2.022 200 HH11 ARG 27 2HH1 ARG 27 2.286 -7.493 4.960 201 HH12 ARG 27 1HH1 ARG 27 3.392 -6.429 5.786 202 HH21 ARG 27 2HH2 ARG 27 5.476 -6.096 3.046 203 HH22 ARG 27 1HH2 ARG 27 5.208 -5.656 4.732 204 H HIS 28 H HIS 28 -1.050 -5.064 1.560 205 HA HIS 28 HA HIS 28 -2.055 -4.691 4.308 206 HB2 HIS 28 1HB HIS 28 -0.318 -3.230 3.675 207 HB3 HIS 28 2HB HIS 28 -1.035 -2.857 2.120 208 HD1 HIS 28 1HD HIS 28 -1.566 -2.016 5.833 209 HD2 HIS 28 2HD HIS 28 -2.869 -0.973 1.973 210 HE1 HIS 28 1HE HIS 28 -3.006 0.048 6.128 211 H MET 29 H MET 29 -3.490 -4.266 0.986 212 HA MET 29 HA MET 29 -5.876 -3.065 1.885 213 HB2 MET 29 1HB MET 29 -5.730 -5.104 -0.352 214 HB3 MET 29 2HB MET 29 -6.928 -3.838 -0.131 215 HG2 MET 29 1HG MET 29 -4.036 -3.550 -0.925 216 HG3 MET 29 2HG MET 29 -5.450 -3.135 -1.865 217 HE1 MET 29 3HE MET 29 -6.827 -1.032 -1.658 218 HE2 MET 29 1HE MET 29 -7.298 -1.360 0.026 219 HE3 MET 29 2HE MET 29 -6.633 0.229 -0.422 220 H LEU 30 H LEU 30 -4.870 -6.358 2.360 221 HA LEU 30 HA LEU 30 -7.341 -7.641 2.938 222 HB2 LEU 30 1HB LEU 30 -4.651 -8.069 4.294 223 HB3 LEU 30 2HB LEU 30 -5.985 -9.201 4.228 224 HG LEU 30 HG LEU 30 -4.309 -8.306 1.852 225 HD11 LEU 30 1HD1 LEU 30 -4.459 -10.977 3.312 226 HD12 LEU 30 2HD1 LEU 30 -3.131 -9.802 3.437 227 HD13 LEU 30 3HD1 LEU 30 -3.453 -10.608 1.892 228 HD21 LEU 30 3HD2 LEU 30 -6.574 -8.842 1.097 229 HD22 LEU 30 1HD2 LEU 30 -6.525 -10.385 1.995 230 HD23 LEU 30 2HD2 LEU 30 -5.433 -10.105 0.613 231 H VAL 31 H VAL 31 -5.519 -5.297 4.886 232 HA VAL 31 HA VAL 31 -6.896 -5.915 7.370 233 HB VAL 31 HB VAL 31 -5.835 -4.148 8.358 234 HG11 VAL 31 1HG1 VAL 31 -4.267 -5.896 7.638 235 HG12 VAL 31 2HG1 VAL 31 -3.842 -4.911 6.222 236 HG13 VAL 31 3HG1 VAL 31 -3.514 -4.305 7.852 237 HG21 VAL 31 3HG2 VAL 31 -4.617 -2.301 7.145 238 HG22 VAL 31 1HG2 VAL 31 -5.546 -2.757 5.702 239 HG23 VAL 31 2HG2 VAL 31 -6.377 -2.220 7.164 240 H HIS 32 H HIS 32 -7.713 -4.052 4.596 241 HA HIS 32 HA HIS 32 -9.945 -2.613 5.925 242 HB2 HIS 32 1HB HIS 32 -8.955 -2.473 3.058 243 HB3 HIS 32 2HB HIS 32 -10.084 -1.378 3.844 244 HD1 HIS 32 1HD HIS 32 -8.592 -0.423 6.366 245 HD2 HIS 32 2HD HIS 32 -6.851 -1.089 2.600 246 HE1 HIS 32 1HE HIS 32 -6.509 1.028 6.312 247 H GLY 33 H GLY 33 -9.395 -5.272 3.662 248 HA2 GLY 33 1HA GLY 33 -11.859 -5.319 2.327 249 HA3 GLY 33 2HA GLY 33 -10.791 -6.702 2.524 250 H ASP 34 H ASP 34 -13.757 -6.422 2.505 251 HA ASP 34 HA ASP 34 -14.621 -7.231 5.208 252 HB2 ASP 34 1HB ASP 34 -16.147 -6.733 2.626 253 HB3 ASP 34 2HB ASP 34 -16.891 -7.132 4.170 254 H LYS 35 H LYS 35 -13.193 -8.971 2.848 255 HA LYS 35 HA LYS 35 -15.044 -11.156 2.478 256 HB2 LYS 35 1HB LYS 35 -13.340 -12.135 1.096 257 HB3 LYS 35 2HB LYS 35 -13.478 -10.415 0.747 258 HG2 LYS 35 1HG LYS 35 -11.433 -9.971 2.108 259 HG3 LYS 35 2HG LYS 35 -11.304 -11.704 2.468 260 HD2 LYS 35 1HD LYS 35 -11.092 -12.189 0.038 261 HD3 LYS 35 2HD LYS 35 -11.197 -10.451 -0.313 262 HE2 LYS 35 1HE LYS 35 -9.150 -10.054 1.035 263 HE3 LYS 35 2HE LYS 35 -9.055 -11.780 1.409 264 HZ1 LYS 35 3HZ LYS 35 -8.783 -12.212 -0.980 265 HZ2 LYS 35 1HZ LYS 35 -7.608 -11.211 -0.458 266 HZ3 LYS 35 2HZ LYS 35 -8.860 -10.618 -1.323 267 H TRP 36 H TRP 36 -13.207 -10.575 5.168 268 HA TRP 36 HA TRP 36 -12.279 -13.217 5.869 269 HB2 TRP 36 1HB TRP 36 -12.856 -10.760 7.559 270 HB3 TRP 36 2HB TRP 36 -12.092 -12.227 8.149 271 HD1 TRP 36 1HD TRP 36 -11.273 -8.982 6.581 272 HE1 TRP 36 1HE TRP 36 -8.775 -8.826 6.008 273 HE3 TRP 36 3HE TRP 36 -10.014 -13.915 7.161 274 HZ2 TRP 36 2HZ TRP 36 -6.500 -10.611 5.921 275 HZ3 TRP 36 3HZ TRP 36 -7.667 -14.658 6.819 276 HH2 TRP 36 2HH TRP 36 -5.904 -13.018 6.202 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 23.618 6.248 4.747 2 H2 GLY 1 2H GLY 1 23.027 5.324 5.965 3 H3 GLY 1 3H GLY 1 22.356 6.783 5.645 4 HA2 GLY 1 1HA GLY 1 21.571 6.033 3.501 5 HA3 GLY 1 2HA GLY 1 22.311 4.456 3.831 6 H SER 2 H SER 2 19.545 4.929 3.236 7 HA SER 2 HA SER 2 18.266 3.619 5.549 8 HB2 SER 2 1HB SER 2 16.465 5.193 5.738 9 HB3 SER 2 2HB SER 2 17.972 6.105 5.886 10 HG SER 2 HG SER 2 16.571 7.172 4.470 11 H SER 3 H SER 3 15.875 3.109 4.936 12 HA SER 3 HA SER 3 15.677 1.629 2.522 13 HB2 SER 3 1HB SER 3 13.430 2.744 4.242 14 HB3 SER 3 2HB SER 3 13.319 1.389 3.103 15 HG SER 3 HG SER 3 13.608 0.680 5.274 16 H GLY 4 H GLY 4 15.445 5.030 2.890 17 HA2 GLY 4 1HA GLY 4 13.668 5.636 0.668 18 HA3 GLY 4 2HA GLY 4 14.748 6.743 1.520 19 H SER 5 H SER 5 16.647 4.140 0.532 20 HA SER 5 HA SER 5 18.073 5.484 -1.528 21 HB2 SER 5 1HB SER 5 19.113 3.271 -1.901 22 HB3 SER 5 2HB SER 5 19.045 3.708 -0.185 23 HG SER 5 HG SER 5 18.376 1.541 -0.545 24 H SER 6 H SER 6 15.150 3.601 -1.705 25 HA SER 6 HA SER 6 14.842 4.375 -4.526 26 HB2 SER 6 1HB SER 6 13.894 2.181 -5.162 27 HB3 SER 6 2HB SER 6 15.623 2.123 -4.793 28 HG SER 6 HG SER 6 14.610 0.386 -3.828 29 H GLY 7 H GLY 7 12.680 4.662 -5.168 30 HA2 GLY 7 1HA GLY 7 11.103 5.811 -3.049 31 HA3 GLY 7 2HA GLY 7 10.712 5.797 -4.765 32 H LEU 8 H LEU 8 8.744 5.739 -3.092 33 HA LEU 8 HA LEU 8 7.654 2.981 -2.953 34 HB2 LEU 8 1HB LEU 8 6.367 5.616 -2.172 35 HB3 LEU 8 2HB LEU 8 5.730 3.999 -1.874 36 HG LEU 8 HG LEU 8 8.264 5.175 -0.641 37 HD11 LEU 8 1HD1 LEU 8 6.071 6.123 0.150 38 HD12 LEU 8 2HD1 LEU 8 7.007 5.284 1.405 39 HD13 LEU 8 3HD1 LEU 8 5.612 4.482 0.658 40 HD21 LEU 8 3HD2 LEU 8 8.230 3.175 0.823 41 HD22 LEU 8 1HD2 LEU 8 8.484 2.722 -0.865 42 HD23 LEU 8 2HD2 LEU 8 6.883 2.505 -0.119 43 H LEU 9 H LEU 9 6.080 2.283 -4.238 44 HA LEU 9 HA LEU 9 5.522 3.840 -6.750 45 HB2 LEU 9 1HB LEU 9 6.192 0.917 -6.272 46 HB3 LEU 9 2HB LEU 9 5.607 1.538 -7.806 47 HG LEU 9 HG LEU 9 8.213 2.344 -6.429 48 HD11 LEU 9 1HD1 LEU 9 8.222 0.042 -7.311 49 HD12 LEU 9 2HD1 LEU 9 9.290 1.095 -8.251 50 HD13 LEU 9 3HD1 LEU 9 7.696 0.638 -8.900 51 HD21 LEU 9 3HD2 LEU 9 8.768 3.419 -8.610 52 HD22 LEU 9 1HD2 LEU 9 7.414 4.212 -7.805 53 HD23 LEU 9 2HD2 LEU 9 7.110 3.110 -9.168 54 H TYR 10 H TYR 10 4.088 1.858 -4.272 55 HA TYR 10 HA TYR 10 1.474 1.834 -5.725 56 HB2 TYR 10 1HB TYR 10 2.577 -0.229 -3.794 57 HB3 TYR 10 2HB TYR 10 1.020 -0.289 -4.596 58 HD1 TYR 10 1HD TYR 10 4.668 -0.619 -5.060 59 HD2 TYR 10 2HD TYR 10 0.826 -0.754 -7.016 60 HE1 TYR 10 1HE TYR 10 5.745 -1.534 -7.118 61 HE2 TYR 10 2HE TYR 10 1.896 -1.688 -9.057 62 HH TYR 10 HH TYR 10 3.859 -2.317 -10.063 63 H ASP 11 H ASP 11 -0.427 2.133 -4.566 64 HA ASP 11 HA ASP 11 -0.171 3.495 -1.917 65 HB2 ASP 11 1HB ASP 11 0.040 5.169 -3.588 66 HB3 ASP 11 2HB ASP 11 -1.300 4.515 -4.531 67 H CYS 12 H CYS 12 -1.833 3.497 -0.621 68 HA CYS 12 HA CYS 12 -4.085 1.619 -1.066 69 HB2 CYS 12 1HB CYS 12 -2.832 1.385 0.980 70 HB3 CYS 12 2HB CYS 12 -3.060 3.104 1.369 71 H HIS 13 H HIS 13 -5.957 2.312 -1.807 72 HA HIS 13 HA HIS 13 -6.663 5.159 -1.825 73 HB2 HIS 13 1HB HIS 13 -8.530 4.476 -3.235 74 HB3 HIS 13 2HB HIS 13 -6.984 3.908 -3.838 75 HD1 HIS 13 1HD HIS 13 -6.782 1.306 -4.239 76 HD2 HIS 13 2HD HIS 13 -10.209 2.556 -2.142 77 HE1 HIS 13 1HE HIS 13 -8.305 -0.734 -4.078 78 H ILE 14 H ILE 14 -6.889 3.007 0.627 79 HA ILE 14 HA ILE 14 -9.574 3.927 1.579 80 HB ILE 14 HB ILE 14 -7.811 1.834 2.814 81 HG12 ILE 14 1HG1 ILE 14 -8.373 1.051 0.564 82 HG13 ILE 14 2HG1 ILE 14 -9.144 0.109 1.817 83 HG21 ILE 14 1HG2 ILE 14 -9.402 2.684 4.400 84 HG22 ILE 14 2HG2 ILE 14 -10.726 2.594 3.223 85 HG23 ILE 14 3HG2 ILE 14 -9.992 1.113 3.863 86 HD11 ILE 14 3HD1 ILE 14 -10.553 2.242 0.196 87 HD12 ILE 14 1HD1 ILE 14 -10.611 0.484 -0.086 88 HD13 ILE 14 2HD1 ILE 14 -11.292 1.154 1.404 89 H CYS 15 H CYS 15 -6.128 3.819 2.531 90 HA CYS 15 HA CYS 15 -6.639 5.844 4.645 91 HB2 CYS 15 1HB CYS 15 -5.481 4.656 6.269 92 HB3 CYS 15 2HB CYS 15 -6.746 3.619 5.609 93 H GLU 16 H GLU 16 -4.998 5.417 1.938 94 HA GLU 16 HA GLU 16 -3.407 6.594 0.909 95 HB2 GLU 16 1HB GLU 16 -4.705 8.316 2.498 96 HB3 GLU 16 2HB GLU 16 -3.082 8.539 3.152 97 HG2 GLU 16 1HG GLU 16 -2.269 9.003 0.803 98 HG3 GLU 16 2HG GLU 16 -3.920 8.773 0.224 99 H ARG 17 H ARG 17 -2.533 4.557 3.046 100 HA ARG 17 HA ARG 17 0.306 5.166 3.440 101 HB2 ARG 17 1HB ARG 17 -1.531 2.845 3.949 102 HB3 ARG 17 2HB ARG 17 0.164 2.443 3.675 103 HG2 ARG 17 1HG ARG 17 0.937 3.832 5.444 104 HG3 ARG 17 2HG ARG 17 -0.647 4.585 5.677 105 HD2 ARG 17 1HD ARG 17 -0.272 1.586 5.996 106 HD3 ARG 17 2HD ARG 17 0.128 2.713 7.289 107 HE ARG 17 HE ARG 17 -2.574 2.914 6.029 108 HH11 ARG 17 2HH1 ARG 17 -0.842 2.042 8.960 109 HH12 ARG 17 1HH1 ARG 17 -2.305 2.081 9.905 110 HH21 ARG 17 2HH2 ARG 17 -4.298 2.895 7.196 111 HH22 ARG 17 1HH2 ARG 17 -4.259 2.575 8.927 112 H LYS 18 H LYS 18 2.045 3.988 2.515 113 HA LYS 18 HA LYS 18 1.630 3.186 -0.327 114 HB2 LYS 18 1HB LYS 18 3.488 5.399 0.617 115 HB3 LYS 18 2HB LYS 18 3.565 4.622 -0.977 116 HG2 LYS 18 1HG LYS 18 1.187 5.296 -1.371 117 HG3 LYS 18 2HG LYS 18 1.256 6.248 0.131 118 HD2 LYS 18 1HD LYS 18 3.181 7.528 -0.794 119 HD3 LYS 18 2HD LYS 18 3.073 6.571 -2.301 120 HE2 LYS 18 1HE LYS 18 0.754 7.317 -2.610 121 HE3 LYS 18 2HE LYS 18 0.847 8.265 -1.118 122 HZ1 LYS 18 3HZ LYS 18 2.589 9.620 -2.164 123 HZ2 LYS 18 1HZ LYS 18 1.238 9.664 -3.076 124 HZ3 LYS 18 2HZ LYS 18 2.504 8.747 -3.544 125 H PHE 19 H PHE 19 3.211 2.077 -1.340 126 HA PHE 19 HA PHE 19 5.211 0.676 0.393 127 HB2 PHE 19 1HB PHE 19 3.143 -0.677 -1.349 128 HB3 PHE 19 2HB PHE 19 4.322 -1.475 -0.338 129 HD1 PHE 19 1HD PHE 19 4.094 -1.513 2.142 130 HD2 PHE 19 2HD PHE 19 1.133 0.355 -0.364 131 HE1 PHE 19 1HE PHE 19 2.553 -1.355 4.084 132 HE2 PHE 19 2HE PHE 19 -0.400 0.551 1.593 133 HZ PHE 19 HZ PHE 19 0.317 -0.305 3.820 134 H LYS 20 H LYS 20 6.713 -0.638 -0.698 135 HA LYS 20 HA LYS 20 7.750 0.630 -3.111 136 HB2 LYS 20 1HB LYS 20 9.038 0.007 -1.063 137 HB3 LYS 20 2HB LYS 20 8.856 -1.694 -1.467 138 HG2 LYS 20 1HG LYS 20 10.137 -1.518 -3.437 139 HG3 LYS 20 2HG LYS 20 10.016 0.244 -3.498 140 HD2 LYS 20 1HD LYS 20 11.565 -1.294 -1.370 141 HD3 LYS 20 2HD LYS 20 12.264 -0.585 -2.836 142 HE2 LYS 20 1HE LYS 20 11.357 1.667 -2.094 143 HE3 LYS 20 2HE LYS 20 10.911 0.921 -0.552 144 HZ1 LYS 20 3HZ LYS 20 13.299 0.339 -0.284 145 HZ2 LYS 20 1HZ LYS 20 13.093 1.962 -0.401 146 HZ3 LYS 20 2HZ LYS 20 13.641 1.123 -1.688 147 H ASN 21 H ASN 21 6.486 -2.546 -2.311 148 HA ASN 21 HA ASN 21 6.511 -3.305 -5.217 149 HB2 ASN 21 1HB ASN 21 6.169 -5.157 -2.842 150 HB3 ASN 21 2HB ASN 21 6.343 -5.624 -4.525 151 HD21 ASN 21 1HD2 ASN 21 7.939 -5.395 -1.679 152 HD22 ASN 21 2HD2 ASN 21 9.594 -5.364 -2.302 153 H GLU 22 H GLU 22 4.701 -4.396 -6.078 154 HA GLU 22 HA GLU 22 2.122 -3.293 -5.393 155 HB2 GLU 22 1HB GLU 22 2.904 -4.147 -7.677 156 HB3 GLU 22 2HB GLU 22 2.706 -5.783 -7.060 157 HG2 GLU 22 1HG GLU 22 0.299 -5.341 -6.653 158 HG3 GLU 22 2HG GLU 22 0.503 -3.670 -7.179 159 H LEU 23 H LEU 23 3.699 -6.404 -4.776 160 HA LEU 23 HA LEU 23 1.627 -7.784 -3.434 161 HB2 LEU 23 1HB LEU 23 3.623 -8.909 -4.166 162 HB3 LEU 23 2HB LEU 23 4.659 -7.853 -3.203 163 HG LEU 23 HG LEU 23 3.796 -8.824 -1.121 164 HD11 LEU 23 1HD1 LEU 23 2.179 -10.679 -2.922 165 HD12 LEU 23 2HD1 LEU 23 1.519 -9.489 -1.775 166 HD13 LEU 23 3HD1 LEU 23 2.412 -10.884 -1.171 167 HD21 LEU 23 3HD2 LEU 23 4.715 -10.924 -3.120 168 HD22 LEU 23 1HD2 LEU 23 4.828 -11.034 -1.349 169 HD23 LEU 23 2HD2 LEU 23 5.765 -9.808 -2.217 170 H ASP 24 H ASP 24 4.184 -5.648 -2.021 171 HA ASP 24 HA ASP 24 3.345 -5.961 0.661 172 HB2 ASP 24 1HB ASP 24 4.989 -3.854 -0.765 173 HB3 ASP 24 2HB ASP 24 4.627 -3.732 0.958 174 H ARG 25 H ARG 25 2.083 -3.790 -1.766 175 HA ARG 25 HA ARG 25 0.337 -2.346 0.133 176 HB2 ARG 25 1HB ARG 25 1.315 -1.348 -1.977 177 HB3 ARG 25 2HB ARG 25 0.313 -2.370 -2.920 178 HG2 ARG 25 1HG ARG 25 -0.811 -0.408 -0.834 179 HG3 ARG 25 2HG ARG 25 -0.418 0.076 -2.483 180 HD2 ARG 25 1HD ARG 25 -2.542 -1.848 -1.557 181 HD3 ARG 25 2HD ARG 25 -2.760 -0.300 -2.348 182 HE ARG 25 HE ARG 25 -1.519 -2.718 -3.581 183 HH11 ARG 25 2HH1 ARG 25 -2.997 0.398 -4.226 184 HH12 ARG 25 1HH1 ARG 25 -3.411 -0.056 -5.863 185 HH21 ARG 25 2HH2 ARG 25 -2.309 -3.316 -5.491 186 HH22 ARG 25 1HH2 ARG 25 -2.936 -2.120 -6.622 187 H ASP 26 H ASP 26 -0.039 -4.913 -2.321 188 HA ASP 26 HA ASP 26 -2.856 -5.171 -2.086 189 HB2 ASP 26 1HB ASP 26 -0.626 -6.982 -3.046 190 HB3 ASP 26 2HB ASP 26 -2.261 -7.586 -2.906 191 H ARG 27 H ARG 27 -0.257 -6.826 -0.234 192 HA ARG 27 HA ARG 27 -2.109 -8.360 1.389 193 HB2 ARG 27 1HB ARG 27 -0.266 -8.949 2.758 194 HB3 ARG 27 2HB ARG 27 0.186 -9.081 1.057 195 HG2 ARG 27 1HG ARG 27 1.414 -6.962 1.189 196 HG3 ARG 27 2HG ARG 27 0.887 -6.689 2.821 197 HD2 ARG 27 1HD ARG 27 2.081 -8.836 3.492 198 HD3 ARG 27 2HD ARG 27 2.667 -8.961 1.833 199 HE ARG 27 HE ARG 27 4.214 -7.236 2.218 200 HH11 ARG 27 2HH1 ARG 27 2.136 -7.376 5.057 201 HH12 ARG 27 1HH1 ARG 27 3.166 -6.276 5.929 202 HH21 ARG 27 2HH2 ARG 27 5.370 -5.897 3.292 203 HH22 ARG 27 1HH2 ARG 27 5.008 -5.446 4.960 204 H HIS 28 H HIS 28 -1.061 -5.041 1.622 205 HA HIS 28 HA HIS 28 -2.112 -4.667 4.347 206 HB2 HIS 28 1HB HIS 28 -0.364 -3.208 3.744 207 HB3 HIS 28 2HB HIS 28 -1.046 -2.843 2.170 208 HD1 HIS 28 1HD HIS 28 -1.623 -1.967 5.860 209 HD2 HIS 28 2HD HIS 28 -2.938 -1.003 1.983 210 HE1 HIS 28 1HE HIS 28 -3.119 0.061 6.126 211 H MET 29 H MET 29 -3.477 -4.247 0.994 212 HA MET 29 HA MET 29 -5.889 -3.064 1.838 213 HB2 MET 29 1HB MET 29 -5.651 -5.097 -0.403 214 HB3 MET 29 2HB MET 29 -6.898 -3.872 -0.201 215 HG2 MET 29 1HG MET 29 -3.992 -3.458 -0.888 216 HG3 MET 29 2HG MET 29 -5.375 -3.140 -1.906 217 HE1 MET 29 3HE MET 29 -6.773 0.208 -0.711 218 HE2 MET 29 1HE MET 29 -6.814 -1.114 -1.895 219 HE3 MET 29 2HE MET 29 -7.427 -1.383 -0.246 220 H LEU 30 H LEU 30 -4.881 -6.355 2.358 221 HA LEU 30 HA LEU 30 -7.375 -7.630 2.861 222 HB2 LEU 30 1HB LEU 30 -4.744 -8.061 4.325 223 HB3 LEU 30 2HB LEU 30 -6.080 -9.194 4.215 224 HG LEU 30 HG LEU 30 -4.304 -8.304 1.904 225 HD11 LEU 30 1HD1 LEU 30 -3.192 -9.798 3.531 226 HD12 LEU 30 2HD1 LEU 30 -3.453 -10.605 1.976 227 HD13 LEU 30 3HD1 LEU 30 -4.513 -10.973 3.357 228 HD21 LEU 30 3HD2 LEU 30 -6.530 -10.376 1.943 229 HD22 LEU 30 1HD2 LEU 30 -5.379 -10.098 0.613 230 HD23 LEU 30 2HD2 LEU 30 -6.533 -8.834 1.048 231 H VAL 31 H VAL 31 -5.569 -5.309 4.875 232 HA VAL 31 HA VAL 31 -7.026 -5.891 7.310 233 HB VAL 31 HB VAL 31 -5.967 -4.140 8.323 234 HG11 VAL 31 1HG1 VAL 31 -3.942 -4.906 6.218 235 HG12 VAL 31 2HG1 VAL 31 -3.639 -4.318 7.858 236 HG13 VAL 31 3HG1 VAL 31 -4.402 -5.900 7.619 237 HG21 VAL 31 3HG2 VAL 31 -4.715 -2.296 7.140 238 HG22 VAL 31 1HG2 VAL 31 -5.616 -2.742 5.676 239 HG23 VAL 31 2HG2 VAL 31 -6.476 -2.203 7.121 240 H HIS 32 H HIS 32 -7.752 -4.017 4.520 241 HA HIS 32 HA HIS 32 -10.063 -2.630 5.768 242 HB2 HIS 32 1HB HIS 32 -9.031 -2.505 2.913 243 HB3 HIS 32 2HB HIS 32 -10.196 -1.428 3.675 244 HD1 HIS 32 1HD HIS 32 -8.754 -0.456 6.226 245 HD2 HIS 32 2HD HIS 32 -6.918 -1.095 2.498 246 HE1 HIS 32 1HE HIS 32 -6.666 0.986 6.238 247 H GLY 33 H GLY 33 -9.347 -5.064 3.260 248 HA2 GLY 33 1HA GLY 33 -12.154 -5.612 2.643 249 HA3 GLY 33 2HA GLY 33 -10.733 -6.405 1.976 250 H ASP 34 H ASP 34 -9.926 -8.261 2.961 251 HA ASP 34 HA ASP 34 -11.978 -9.765 4.364 252 HB2 ASP 34 1HB ASP 34 -9.421 -10.613 3.014 253 HB3 ASP 34 2HB ASP 34 -10.583 -11.726 3.748 254 H LYS 35 H LYS 35 -10.993 -8.009 6.128 255 HA LYS 35 HA LYS 35 -9.286 -9.419 8.070 256 HB2 LYS 35 1HB LYS 35 -9.254 -7.503 9.366 257 HB3 LYS 35 2HB LYS 35 -9.192 -6.931 7.714 258 HG2 LYS 35 1HG LYS 35 -11.627 -6.874 9.562 259 HG3 LYS 35 2HG LYS 35 -10.593 -5.516 9.136 260 HD2 LYS 35 1HD LYS 35 -11.268 -5.823 6.727 261 HD3 LYS 35 2HD LYS 35 -12.444 -7.047 7.274 262 HE2 LYS 35 1HE LYS 35 -13.543 -5.366 8.706 263 HE3 LYS 35 2HE LYS 35 -12.377 -4.143 8.176 264 HZ1 LYS 35 3HZ LYS 35 -14.264 -5.569 6.374 265 HZ2 LYS 35 1HZ LYS 35 -13.188 -4.432 5.903 266 HZ3 LYS 35 2HZ LYS 35 -14.437 -4.024 6.883 267 H TRP 36 H TRP 36 -12.383 -9.954 7.298 268 HA TRP 36 HA TRP 36 -13.728 -10.108 9.850 269 HB2 TRP 36 1HB TRP 36 -15.446 -11.330 8.551 270 HB3 TRP 36 2HB TRP 36 -15.017 -9.769 7.880 271 HD1 TRP 36 1HD TRP 36 -14.050 -9.677 5.475 272 HE1 TRP 36 1HE TRP 36 -13.643 -11.387 3.586 273 HE3 TRP 36 3HE TRP 36 -14.948 -13.998 8.088 274 HZ2 TRP 36 2HZ TRP 36 -13.827 -14.234 3.238 275 HZ3 TRP 36 3HZ TRP 36 -14.857 -16.198 6.935 276 HH2 TRP 36 2HH TRP 36 -14.294 -16.331 4.518 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 9.202 19.747 9.271 2 H2 GLY 1 2H GLY 1 8.453 18.399 8.717 3 H3 GLY 1 3H GLY 1 7.994 19.872 8.171 4 HA2 GLY 1 1HA GLY 1 10.131 20.219 7.112 5 HA3 GLY 1 2HA GLY 1 10.616 18.615 7.689 6 H SER 2 H SER 2 10.907 17.678 5.672 7 HA SER 2 HA SER 2 9.104 17.858 3.470 8 HB2 SER 2 1HB SER 2 11.154 15.700 4.097 9 HB3 SER 2 2HB SER 2 10.426 16.034 2.514 10 HG SER 2 HG SER 2 12.489 17.028 2.751 11 H SER 3 H SER 3 7.820 16.208 2.477 12 HA SER 3 HA SER 3 6.857 13.958 4.149 13 HB2 SER 3 1HB SER 3 5.366 15.925 4.584 14 HB3 SER 3 2HB SER 3 4.954 15.946 2.858 15 HG SER 3 HG SER 3 3.452 14.738 4.144 16 H GLY 4 H GLY 4 5.913 12.272 2.986 17 HA2 GLY 4 1HA GLY 4 5.599 10.836 1.196 18 HA3 GLY 4 2HA GLY 4 5.818 12.166 0.065 19 H SER 5 H SER 5 6.842 9.589 -0.344 20 HA SER 5 HA SER 5 9.792 10.042 -0.388 21 HB2 SER 5 1HB SER 5 8.427 7.496 0.567 22 HB3 SER 5 2HB SER 5 10.161 7.683 0.263 23 HG SER 5 HG SER 5 9.628 7.959 2.482 24 H SER 6 H SER 6 10.629 9.696 -2.338 25 HA SER 6 HA SER 6 9.115 8.693 -4.557 26 HB2 SER 6 1HB SER 6 12.116 9.125 -4.341 27 HB3 SER 6 2HB SER 6 11.164 9.041 -5.833 28 HG SER 6 HG SER 6 10.097 10.948 -5.216 29 H GLY 7 H GLY 7 11.042 7.005 -2.230 30 HA2 GLY 7 1HA GLY 7 11.746 4.664 -3.761 31 HA3 GLY 7 2HA GLY 7 11.688 4.820 -1.998 32 H LEU 8 H LEU 8 8.662 5.698 -2.817 33 HA LEU 8 HA LEU 8 7.583 2.920 -2.567 34 HB2 LEU 8 1HB LEU 8 6.379 5.525 -1.584 35 HB3 LEU 8 2HB LEU 8 5.753 3.891 -1.329 36 HG LEU 8 HG LEU 8 8.407 4.913 -0.217 37 HD11 LEU 8 1HD1 LEU 8 5.761 4.497 1.209 38 HD12 LEU 8 2HD1 LEU 8 6.464 6.071 0.766 39 HD13 LEU 8 3HD1 LEU 8 7.300 5.026 1.926 40 HD21 LEU 8 3HD2 LEU 8 6.818 2.396 0.436 41 HD22 LEU 8 1HD2 LEU 8 8.333 2.915 1.201 42 HD23 LEU 8 2HD2 LEU 8 8.329 2.444 -0.502 43 H LEU 9 H LEU 9 6.534 2.190 -4.225 44 HA LEU 9 HA LEU 9 5.898 4.004 -6.499 45 HB2 LEU 9 1HB LEU 9 6.653 1.085 -6.182 46 HB3 LEU 9 2HB LEU 9 5.832 1.644 -7.633 47 HG LEU 9 HG LEU 9 7.609 3.306 -8.025 48 HD11 LEU 9 1HD1 LEU 9 9.843 2.941 -6.921 49 HD12 LEU 9 2HD1 LEU 9 9.031 1.916 -5.716 50 HD13 LEU 9 3HD1 LEU 9 8.633 3.648 -5.858 51 HD21 LEU 9 3HD2 LEU 9 8.558 0.419 -7.768 52 HD22 LEU 9 1HD2 LEU 9 9.261 1.656 -8.837 53 HD23 LEU 9 2HD2 LEU 9 7.609 1.083 -9.116 54 H TYR 10 H TYR 10 4.249 2.076 -4.183 55 HA TYR 10 HA TYR 10 1.718 2.066 -5.791 56 HB2 TYR 10 1HB TYR 10 2.692 -0.056 -3.841 57 HB3 TYR 10 2HB TYR 10 1.196 -0.078 -4.733 58 HD1 TYR 10 1HD TYR 10 4.879 -0.359 -5.038 59 HD2 TYR 10 2HD TYR 10 1.110 -0.607 -7.122 60 HE1 TYR 10 1HE TYR 10 6.042 -1.293 -7.035 61 HE2 TYR 10 2HE TYR 10 2.262 -1.581 -9.096 62 HH TYR 10 HH TYR 10 4.272 -2.208 -10.016 63 H ASP 11 H ASP 11 -0.238 2.341 -4.687 64 HA ASP 11 HA ASP 11 -0.046 3.434 -1.929 65 HB2 ASP 11 1HB ASP 11 -1.245 5.374 -2.529 66 HB3 ASP 11 2HB ASP 11 0.116 5.230 -3.631 67 H CYS 12 H CYS 12 -1.719 3.321 -0.622 68 HA CYS 12 HA CYS 12 -3.932 1.452 -1.161 69 HB2 CYS 12 1HB CYS 12 -2.725 1.327 0.939 70 HB3 CYS 12 2HB CYS 12 -3.033 3.047 1.263 71 H HIS 13 H HIS 13 -5.929 2.059 -1.717 72 HA HIS 13 HA HIS 13 -6.592 4.931 -1.951 73 HB2 HIS 13 1HB HIS 13 -8.410 4.247 -3.366 74 HB3 HIS 13 2HB HIS 13 -6.887 3.574 -3.919 75 HD1 HIS 13 1HD HIS 13 -6.833 0.944 -4.200 76 HD2 HIS 13 2HD HIS 13 -10.211 2.493 -2.229 77 HE1 HIS 13 1HE HIS 13 -8.495 -0.981 -4.009 78 H ILE 14 H ILE 14 -6.851 2.813 0.539 79 HA ILE 14 HA ILE 14 -9.530 3.776 1.465 80 HB ILE 14 HB ILE 14 -7.755 1.705 2.727 81 HG12 ILE 14 1HG1 ILE 14 -8.392 0.893 0.505 82 HG13 ILE 14 2HG1 ILE 14 -9.118 -0.032 1.799 83 HG21 ILE 14 1HG2 ILE 14 -9.289 2.606 4.341 84 HG22 ILE 14 2HG2 ILE 14 -10.648 2.503 3.204 85 HG23 ILE 14 3HG2 ILE 14 -9.909 1.029 3.855 86 HD11 ILE 14 3HD1 ILE 14 -11.278 1.027 1.441 87 HD12 ILE 14 1HD1 ILE 14 -10.574 2.080 0.182 88 HD13 ILE 14 2HD1 ILE 14 -10.656 0.319 -0.056 89 H CYS 15 H CYS 15 -6.099 3.633 2.456 90 HA CYS 15 HA CYS 15 -6.592 5.780 4.460 91 HB2 CYS 15 1HB CYS 15 -5.283 4.716 6.062 92 HB3 CYS 15 2HB CYS 15 -6.564 3.647 5.532 93 H GLU 16 H GLU 16 -5.113 5.451 1.703 94 HA GLU 16 HA GLU 16 -3.532 6.675 0.618 95 HB2 GLU 16 1HB GLU 16 -4.160 8.356 3.040 96 HB3 GLU 16 2HB GLU 16 -3.029 8.937 1.800 97 HG2 GLU 16 1HG GLU 16 -4.780 8.617 0.067 98 HG3 GLU 16 2HG GLU 16 -5.911 8.075 1.308 99 H ARG 17 H ARG 17 -2.545 4.741 2.882 100 HA ARG 17 HA ARG 17 0.269 5.467 3.206 101 HB2 ARG 17 1HB ARG 17 -1.295 2.868 3.518 102 HB3 ARG 17 2HB ARG 17 0.453 2.955 3.760 103 HG2 ARG 17 1HG ARG 17 0.197 4.632 5.525 104 HG3 ARG 17 2HG ARG 17 -1.558 4.647 5.280 105 HD2 ARG 17 1HD ARG 17 -1.648 2.234 5.863 106 HD3 ARG 17 2HD ARG 17 0.096 2.223 6.098 107 HE ARG 17 HE ARG 17 -0.119 3.272 8.143 108 HH11 ARG 17 2HH1 ARG 17 -3.334 3.455 6.636 109 HH12 ARG 17 1HH1 ARG 17 -4.038 3.987 8.135 110 HH21 ARG 17 2HH2 ARG 17 -1.145 3.967 9.957 111 HH22 ARG 17 1HH2 ARG 17 -2.854 4.280 9.934 112 H LYS 18 H LYS 18 1.971 4.050 2.424 113 HA LYS 18 HA LYS 18 1.659 3.208 -0.404 114 HB2 LYS 18 1HB LYS 18 3.563 5.422 0.466 115 HB3 LYS 18 2HB LYS 18 3.670 4.514 -1.044 116 HG2 LYS 18 1HG LYS 18 1.332 5.272 -1.610 117 HG3 LYS 18 2HG LYS 18 1.423 6.362 -0.223 118 HD2 LYS 18 1HD LYS 18 1.997 7.591 -2.225 119 HD3 LYS 18 2HD LYS 18 3.454 7.415 -1.230 120 HE2 LYS 18 1HE LYS 18 4.137 5.473 -2.690 121 HE3 LYS 18 2HE LYS 18 2.729 5.773 -3.706 122 HZ1 LYS 18 3HZ LYS 18 4.866 6.787 -4.472 123 HZ2 LYS 18 1HZ LYS 18 4.861 7.788 -3.195 124 HZ3 LYS 18 2HZ LYS 18 3.665 7.903 -4.312 125 H PHE 19 H PHE 19 3.308 2.049 -1.344 126 HA PHE 19 HA PHE 19 5.151 0.613 0.534 127 HB2 PHE 19 1HB PHE 19 3.200 -0.618 -1.428 128 HB3 PHE 19 2HB PHE 19 4.285 -1.494 -0.377 129 HD1 PHE 19 1HD PHE 19 3.932 -1.625 2.070 130 HD2 PHE 19 2HD PHE 19 1.150 0.432 -0.498 131 HE1 PHE 19 1HE PHE 19 2.314 -1.473 3.948 132 HE2 PHE 19 2HE PHE 19 -0.450 0.633 1.402 133 HZ PHE 19 HZ PHE 19 0.141 -0.320 3.622 134 H LYS 20 H LYS 20 6.726 -0.748 -0.451 135 HA LYS 20 HA LYS 20 8.054 0.461 -2.722 136 HB2 LYS 20 1HB LYS 20 8.655 -2.115 -1.190 137 HB3 LYS 20 2HB LYS 20 9.727 -1.356 -2.372 138 HG2 LYS 20 1HG LYS 20 9.855 0.677 -0.947 139 HG3 LYS 20 2HG LYS 20 8.840 -0.131 0.271 140 HD2 LYS 20 1HD LYS 20 10.544 -1.912 0.514 141 HD3 LYS 20 2HD LYS 20 11.563 -1.105 -0.701 142 HE2 LYS 20 1HE LYS 20 11.664 0.921 0.737 143 HE3 LYS 20 2HE LYS 20 10.653 0.119 1.947 144 HZ1 LYS 20 3HZ LYS 20 13.010 -0.057 2.506 145 HZ2 LYS 20 1HZ LYS 20 13.350 -0.806 1.097 146 HZ3 LYS 20 2HZ LYS 20 12.416 -1.548 2.214 147 H ASN 21 H ASN 21 6.156 -2.482 -2.323 148 HA ASN 21 HA ASN 21 6.358 -3.019 -5.261 149 HB2 ASN 21 1HB ASN 21 6.064 -5.122 -3.087 150 HB3 ASN 21 2HB ASN 21 6.265 -5.397 -4.810 151 HD21 ASN 21 1HD2 ASN 21 7.847 -4.843 -1.815 152 HD22 ASN 21 2HD2 ASN 21 9.486 -4.996 -2.449 153 H GLU 22 H GLU 22 4.577 -4.072 -6.209 154 HA GLU 22 HA GLU 22 1.971 -3.143 -5.489 155 HB2 GLU 22 1HB GLU 22 2.865 -3.953 -7.777 156 HB3 GLU 22 2HB GLU 22 2.604 -5.590 -7.191 157 HG2 GLU 22 1HG GLU 22 0.199 -5.089 -6.863 158 HG3 GLU 22 2HG GLU 22 0.465 -3.417 -7.349 159 H LEU 23 H LEU 23 3.686 -6.185 -4.884 160 HA LEU 23 HA LEU 23 1.624 -7.699 -3.678 161 HB2 LEU 23 1HB LEU 23 3.674 -8.702 -4.426 162 HB3 LEU 23 2HB LEU 23 4.648 -7.680 -3.363 163 HG LEU 23 HG LEU 23 3.679 -8.818 -1.373 164 HD11 LEU 23 1HD1 LEU 23 2.344 -10.616 -3.445 165 HD12 LEU 23 2HD1 LEU 23 1.521 -9.580 -2.255 166 HD13 LEU 23 3HD1 LEU 23 2.460 -10.973 -1.710 167 HD21 LEU 23 3HD2 LEU 23 4.898 -10.912 -1.643 168 HD22 LEU 23 1HD2 LEU 23 5.798 -9.566 -2.360 169 HD23 LEU 23 2HD2 LEU 23 4.916 -10.700 -3.412 170 H ASP 24 H ASP 24 4.109 -5.619 -2.042 171 HA ASP 24 HA ASP 24 3.209 -6.095 0.601 172 HB2 ASP 24 1HB ASP 24 4.602 -3.701 -0.640 173 HB3 ASP 24 2HB ASP 24 4.330 -3.875 1.096 174 H ARG 25 H ARG 25 2.107 -3.687 -1.757 175 HA ARG 25 HA ARG 25 0.234 -2.370 0.061 176 HB2 ARG 25 1HB ARG 25 1.322 -1.352 -1.971 177 HB3 ARG 25 2HB ARG 25 0.361 -2.350 -2.988 178 HG2 ARG 25 1HG ARG 25 -0.843 -0.397 -0.941 179 HG3 ARG 25 2HG ARG 25 -0.369 0.091 -2.568 180 HD2 ARG 25 1HD ARG 25 -2.565 -1.820 -1.763 181 HD3 ARG 25 2HD ARG 25 -2.708 -0.261 -2.549 182 HE ARG 25 HE ARG 25 -1.425 -2.668 -3.751 183 HH11 ARG 25 2HH1 ARG 25 -2.834 0.469 -4.422 184 HH12 ARG 25 1HH1 ARG 25 -3.194 0.040 -6.077 185 HH21 ARG 25 2HH2 ARG 25 -2.193 -3.248 -5.692 186 HH22 ARG 25 1HH2 ARG 25 -2.730 -2.024 -6.837 187 H ASP 26 H ASP 26 -0.092 -4.862 -2.487 188 HA ASP 26 HA ASP 26 -2.897 -5.131 -2.334 189 HB2 ASP 26 1HB ASP 26 -0.648 -6.950 -3.248 190 HB3 ASP 26 2HB ASP 26 -2.290 -7.548 -3.163 191 H ARG 27 H ARG 27 -0.367 -6.866 -0.435 192 HA ARG 27 HA ARG 27 -2.346 -8.364 1.111 193 HB2 ARG 27 1HB ARG 27 -0.632 -9.150 2.465 194 HB3 ARG 27 2HB ARG 27 -0.191 -9.302 0.764 195 HG2 ARG 27 1HG ARG 27 1.421 -7.523 0.932 196 HG3 ARG 27 2HG ARG 27 0.795 -6.987 2.483 197 HD2 ARG 27 1HD ARG 27 2.819 -8.196 2.888 198 HD3 ARG 27 2HD ARG 27 1.440 -9.164 3.469 199 HE ARG 27 HE ARG 27 1.973 -10.010 0.833 200 HH11 ARG 27 2HH1 ARG 27 3.714 -10.079 3.872 201 HH12 ARG 27 1HH1 ARG 27 4.566 -11.541 3.461 202 HH21 ARG 27 2HH2 ARG 27 3.059 -11.921 0.398 203 HH22 ARG 27 1HH2 ARG 27 4.213 -12.535 1.541 204 H HIS 28 H HIS 28 -1.032 -5.144 1.496 205 HA HIS 28 HA HIS 28 -2.056 -4.787 4.207 206 HB2 HIS 28 1HB HIS 28 -0.344 -3.313 3.561 207 HB3 HIS 28 2HB HIS 28 -1.082 -2.941 2.014 208 HD1 HIS 28 1HD HIS 28 -1.546 -2.085 5.731 209 HD2 HIS 28 2HD HIS 28 -2.921 -1.059 1.889 210 HE1 HIS 28 1HE HIS 28 -2.961 -0.002 6.038 211 H MET 29 H MET 29 -3.577 -4.375 0.931 212 HA MET 29 HA MET 29 -5.915 -3.111 1.835 213 HB2 MET 29 1HB MET 29 -5.848 -5.270 -0.299 214 HB3 MET 29 2HB MET 29 -7.036 -3.991 -0.114 215 HG2 MET 29 1HG MET 29 -4.151 -3.694 -0.941 216 HG3 MET 29 2HG MET 29 -5.567 -3.452 -1.936 217 HE1 MET 29 3HE MET 29 -7.525 -1.565 -0.123 218 HE2 MET 29 1HE MET 29 -6.979 -0.058 -0.896 219 HE3 MET 29 2HE MET 29 -7.150 -1.539 -1.860 220 H LEU 30 H LEU 30 -4.984 -6.432 2.379 221 HA LEU 30 HA LEU 30 -7.488 -7.610 3.036 222 HB2 LEU 30 1HB LEU 30 -4.761 -8.161 4.263 223 HB3 LEU 30 2HB LEU 30 -6.145 -9.232 4.277 224 HG LEU 30 HG LEU 30 -4.575 -8.394 1.797 225 HD11 LEU 30 1HD1 LEU 30 -3.808 -10.722 1.771 226 HD12 LEU 30 2HD1 LEU 30 -4.732 -11.063 3.252 227 HD13 LEU 30 3HD1 LEU 30 -3.358 -9.937 3.293 228 HD21 LEU 30 3HD2 LEU 30 -6.891 -8.825 1.168 229 HD22 LEU 30 1HD2 LEU 30 -6.881 -10.361 2.070 230 HD23 LEU 30 2HD2 LEU 30 -5.859 -10.151 0.627 231 H VAL 31 H VAL 31 -5.531 -5.330 4.897 232 HA VAL 31 HA VAL 31 -6.806 -5.886 7.448 233 HB VAL 31 HB VAL 31 -5.690 -4.117 8.361 234 HG11 VAL 31 1HG1 VAL 31 -3.390 -4.313 7.751 235 HG12 VAL 31 2HG1 VAL 31 -4.174 -5.895 7.602 236 HG13 VAL 31 3HG1 VAL 31 -3.803 -4.942 6.151 237 HG21 VAL 31 3HG2 VAL 31 -6.263 -2.201 7.165 238 HG22 VAL 31 1HG2 VAL 31 -4.505 -2.301 7.068 239 HG23 VAL 31 2HG2 VAL 31 -5.503 -2.767 5.675 240 H HIS 32 H HIS 32 -7.742 -4.070 4.683 241 HA HIS 32 HA HIS 32 -9.809 -2.495 6.086 242 HB2 HIS 32 1HB HIS 32 -9.014 -2.589 3.154 243 HB3 HIS 32 2HB HIS 32 -10.115 -1.437 3.897 244 HD1 HIS 32 1HD HIS 32 -8.529 -0.417 6.356 245 HD2 HIS 32 2HD HIS 32 -6.914 -1.172 2.546 246 HE1 HIS 32 1HE HIS 32 -6.433 0.996 6.217 247 H GLY 33 H GLY 33 -9.652 -5.525 4.377 248 HA2 GLY 33 1HA GLY 33 -12.217 -6.358 5.053 249 HA3 GLY 33 2HA GLY 33 -12.397 -5.629 3.457 250 H ASP 34 H ASP 34 -13.076 -8.172 3.712 251 HA ASP 34 HA ASP 34 -10.874 -9.838 2.571 252 HB2 ASP 34 1HB ASP 34 -11.929 -10.479 4.760 253 HB3 ASP 34 2HB ASP 34 -13.458 -10.697 3.912 254 H LYS 35 H LYS 35 -13.117 -7.942 1.321 255 HA LYS 35 HA LYS 35 -14.640 -9.741 -0.412 256 HB2 LYS 35 1HB LYS 35 -14.482 -6.702 -0.274 257 HB3 LYS 35 2HB LYS 35 -15.633 -7.620 -1.252 258 HG2 LYS 35 1HG LYS 35 -16.568 -8.666 0.798 259 HG3 LYS 35 2HG LYS 35 -15.458 -7.703 1.794 260 HD2 LYS 35 1HD LYS 35 -16.455 -5.615 0.899 261 HD3 LYS 35 2HD LYS 35 -17.575 -6.577 -0.092 262 HE2 LYS 35 1HE LYS 35 -18.499 -7.616 1.970 263 HE3 LYS 35 2HE LYS 35 -17.389 -6.658 2.956 264 HZ1 LYS 35 3HZ LYS 35 -19.579 -5.618 2.828 265 HZ2 LYS 35 1HZ LYS 35 -19.511 -5.534 1.201 266 HZ3 LYS 35 2HZ LYS 35 -18.483 -4.646 2.111 267 H TRP 36 H TRP 36 -11.540 -8.607 -0.730 268 HA TRP 36 HA TRP 36 -11.365 -7.695 -3.405 269 HB2 TRP 36 1HB TRP 36 -9.198 -9.053 -1.778 270 HB3 TRP 36 2HB TRP 36 -8.980 -7.945 -3.123 271 HD1 TRP 36 1HD TRP 36 -9.064 -8.031 0.531 272 HE1 TRP 36 1HE TRP 36 -9.122 -5.684 1.559 273 HE3 TRP 36 3HE TRP 36 -10.255 -5.334 -3.666 274 HZ2 TRP 36 2HZ TRP 36 -9.749 -3.005 0.712 275 HZ3 TRP 36 3HZ TRP 36 -10.581 -2.874 -3.515 276 HH2 TRP 36 2HH TRP 36 -10.334 -1.703 -1.340 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 4.743 14.136 -4.181 2 H2 GLY 1 2H GLY 1 4.485 15.624 -3.545 3 H3 GLY 1 3H GLY 1 3.626 14.340 -3.000 4 HA2 GLY 1 1HA GLY 1 5.329 14.931 -1.401 5 HA3 GLY 1 2HA GLY 1 5.586 13.311 -2.076 6 H SER 2 H SER 2 7.382 15.661 -1.022 7 HA SER 2 HA SER 2 9.052 16.354 -3.312 8 HB2 SER 2 1HB SER 2 10.364 17.577 -1.599 9 HB3 SER 2 2HB SER 2 8.640 17.985 -1.589 10 HG SER 2 HG SER 2 9.468 17.619 0.533 11 H SER 3 H SER 3 9.081 13.716 -1.079 12 HA SER 3 HA SER 3 11.624 12.705 -2.177 13 HB2 SER 3 1HB SER 3 12.179 14.091 -0.131 14 HB3 SER 3 2HB SER 3 11.228 12.944 0.830 15 HG SER 3 HG SER 3 13.498 12.446 0.750 16 H GLY 4 H GLY 4 12.033 10.452 -1.460 17 HA2 GLY 4 1HA GLY 4 11.464 8.271 -1.001 18 HA3 GLY 4 2HA GLY 4 9.963 8.836 -0.273 19 H SER 5 H SER 5 9.612 10.114 -3.236 20 HA SER 5 HA SER 5 7.764 8.134 -4.170 21 HB2 SER 5 1HB SER 5 7.551 9.678 -6.121 22 HB3 SER 5 2HB SER 5 7.373 10.474 -4.548 23 HG SER 5 HG SER 5 8.756 11.643 -5.980 24 H SER 6 H SER 6 11.168 8.362 -4.686 25 HA SER 6 HA SER 6 11.241 6.734 -7.124 26 HB2 SER 6 1HB SER 6 13.681 6.644 -6.603 27 HB3 SER 6 2HB SER 6 13.032 8.288 -6.730 28 HG SER 6 HG SER 6 14.391 8.014 -4.884 29 H GLY 7 H GLY 7 11.166 6.156 -3.655 30 HA2 GLY 7 1HA GLY 7 11.871 3.278 -3.900 31 HA3 GLY 7 2HA GLY 7 11.620 4.206 -2.416 32 H LEU 8 H LEU 8 9.118 5.334 -2.894 33 HA LEU 8 HA LEU 8 7.361 2.955 -2.608 34 HB2 LEU 8 1HB LEU 8 6.911 5.864 -1.863 35 HB3 LEU 8 2HB LEU 8 5.817 4.523 -1.525 36 HG LEU 8 HG LEU 8 8.640 4.822 -0.391 37 HD11 LEU 8 1HD1 LEU 8 7.044 6.467 0.506 38 HD12 LEU 8 2HD1 LEU 8 7.511 5.273 1.727 39 HD13 LEU 8 3HD1 LEU 8 5.922 5.152 0.938 40 HD21 LEU 8 3HD2 LEU 8 7.992 2.967 1.116 41 HD22 LEU 8 1HD2 LEU 8 8.000 2.439 -0.570 42 HD23 LEU 8 2HD2 LEU 8 6.458 2.792 0.243 43 H LEU 9 H LEU 9 6.062 2.360 -4.103 44 HA LEU 9 HA LEU 9 5.505 4.142 -6.461 45 HB2 LEU 9 1HB LEU 9 6.209 1.192 -6.255 46 HB3 LEU 9 2HB LEU 9 5.690 1.972 -7.737 47 HG LEU 9 HG LEU 9 8.221 2.652 -6.160 48 HD11 LEU 9 1HD1 LEU 9 8.303 0.445 -7.248 49 HD12 LEU 9 2HD1 LEU 9 9.399 1.591 -8.033 50 HD13 LEU 9 3HD1 LEU 9 7.848 1.183 -8.802 51 HD21 LEU 9 3HD2 LEU 9 8.868 3.942 -8.183 52 HD22 LEU 9 1HD2 LEU 9 7.458 4.634 -7.387 53 HD23 LEU 9 2HD2 LEU 9 7.250 3.668 -8.868 54 H TYR 10 H TYR 10 4.082 1.860 -4.230 55 HA TYR 10 HA TYR 10 1.506 1.869 -5.766 56 HB2 TYR 10 1HB TYR 10 2.591 -0.239 -3.867 57 HB3 TYR 10 2HB TYR 10 1.063 -0.304 -4.706 58 HD1 TYR 10 1HD TYR 10 4.746 -0.443 -5.143 59 HD2 TYR 10 2HD TYR 10 0.915 -0.817 -7.091 60 HE1 TYR 10 1HE TYR 10 5.869 -1.347 -7.186 61 HE2 TYR 10 2HE TYR 10 2.026 -1.754 -9.107 62 HH TYR 10 HH TYR 10 4.019 -2.321 -10.096 63 H ASP 11 H ASP 11 -0.401 2.335 -4.723 64 HA ASP 11 HA ASP 11 -0.177 3.360 -1.930 65 HB2 ASP 11 1HB ASP 11 -1.370 5.296 -2.528 66 HB3 ASP 11 2HB ASP 11 -0.043 5.125 -3.668 67 H CYS 12 H CYS 12 -1.788 3.212 -0.560 68 HA CYS 12 HA CYS 12 -4.063 1.421 -1.029 69 HB2 CYS 12 1HB CYS 12 -2.841 1.340 1.061 70 HB3 CYS 12 2HB CYS 12 -3.099 3.076 1.329 71 H HIS 13 H HIS 13 -6.035 2.041 -1.612 72 HA HIS 13 HA HIS 13 -6.698 4.912 -1.881 73 HB2 HIS 13 1HB HIS 13 -8.549 4.176 -3.266 74 HB3 HIS 13 2HB HIS 13 -7.004 3.574 -3.838 75 HD1 HIS 13 1HD HIS 13 -6.826 0.961 -4.144 76 HD2 HIS 13 2HD HIS 13 -10.246 2.317 -2.105 77 HE1 HIS 13 1HE HIS 13 -8.375 -1.054 -3.926 78 H ILE 14 H ILE 14 -6.911 2.874 0.654 79 HA ILE 14 HA ILE 14 -9.581 3.861 1.592 80 HB ILE 14 HB ILE 14 -7.840 1.782 2.879 81 HG12 ILE 14 1HG1 ILE 14 -8.441 0.914 0.681 82 HG13 ILE 14 2HG1 ILE 14 -9.231 0.047 1.975 83 HG21 ILE 14 1HG2 ILE 14 -9.399 2.736 4.449 84 HG22 ILE 14 2HG2 ILE 14 -10.742 2.583 3.300 85 HG23 ILE 14 3HG2 ILE 14 -9.991 1.137 4.002 86 HD11 ILE 14 3HD1 ILE 14 -10.699 0.353 0.079 87 HD12 ILE 14 1HD1 ILE 14 -11.350 1.160 1.513 88 HD13 ILE 14 2HD1 ILE 14 -10.575 2.124 0.231 89 H CYS 15 H CYS 15 -6.131 3.677 2.532 90 HA CYS 15 HA CYS 15 -6.553 5.851 4.512 91 HB2 CYS 15 1HB CYS 15 -5.349 4.761 6.164 92 HB3 CYS 15 2HB CYS 15 -6.669 3.743 5.621 93 H GLU 16 H GLU 16 -5.066 5.425 1.794 94 HA GLU 16 HA GLU 16 -3.428 6.558 0.700 95 HB2 GLU 16 1HB GLU 16 -3.933 8.266 3.128 96 HB3 GLU 16 2HB GLU 16 -2.756 8.772 1.901 97 HG2 GLU 16 1HG GLU 16 -4.514 8.595 0.155 98 HG3 GLU 16 2HG GLU 16 -5.688 8.113 1.382 99 H ARG 17 H ARG 17 -2.505 4.658 3.108 100 HA ARG 17 HA ARG 17 0.327 5.198 3.345 101 HB2 ARG 17 1HB ARG 17 -1.528 2.906 3.904 102 HB3 ARG 17 2HB ARG 17 0.159 2.480 3.622 103 HG2 ARG 17 1HG ARG 17 0.961 3.909 5.354 104 HG3 ARG 17 2HG ARG 17 -0.628 4.649 5.604 105 HD2 ARG 17 1HD ARG 17 -0.217 1.656 5.936 106 HD3 ARG 17 2HD ARG 17 0.196 2.793 7.216 107 HE ARG 17 HE ARG 17 -2.535 2.944 5.998 108 HH11 ARG 17 2HH1 ARG 17 -0.737 2.174 8.920 109 HH12 ARG 17 1HH1 ARG 17 -2.185 2.223 9.890 110 HH21 ARG 17 2HH2 ARG 17 -4.235 2.943 7.195 111 HH22 ARG 17 1HH2 ARG 17 -4.161 2.668 8.933 112 H LYS 18 H LYS 18 2.061 4.056 2.416 113 HA LYS 18 HA LYS 18 1.635 3.167 -0.392 114 HB2 LYS 18 1HB LYS 18 3.379 5.494 0.462 115 HB3 LYS 18 2HB LYS 18 3.526 4.676 -1.101 116 HG2 LYS 18 1HG LYS 18 1.366 5.270 -1.816 117 HG3 LYS 18 2HG LYS 18 0.877 5.877 -0.238 118 HD2 LYS 18 1HD LYS 18 3.113 7.098 -1.893 119 HD3 LYS 18 2HD LYS 18 1.440 7.657 -1.953 120 HE2 LYS 18 1HE LYS 18 3.057 7.510 0.627 121 HE3 LYS 18 2HE LYS 18 3.035 8.939 -0.410 122 HZ1 LYS 18 3HZ LYS 18 1.384 9.119 1.359 123 HZ2 LYS 18 1HZ LYS 18 0.603 7.770 0.877 124 HZ3 LYS 18 2HZ LYS 18 0.634 9.092 -0.085 125 H PHE 19 H PHE 19 3.246 2.058 -1.370 126 HA PHE 19 HA PHE 19 5.203 0.677 0.435 127 HB2 PHE 19 1HB PHE 19 3.173 -0.617 -1.402 128 HB3 PHE 19 2HB PHE 19 4.300 -1.462 -0.374 129 HD1 PHE 19 1HD PHE 19 4.042 -1.496 2.105 130 HD2 PHE 19 2HD PHE 19 1.144 0.419 -0.443 131 HE1 PHE 19 1HE PHE 19 2.477 -1.310 4.027 132 HE2 PHE 19 2HE PHE 19 -0.409 0.642 1.494 133 HZ PHE 19 HZ PHE 19 0.267 -0.217 3.733 134 H LYS 20 H LYS 20 6.720 -0.709 -0.589 135 HA LYS 20 HA LYS 20 7.959 0.485 -2.912 136 HB2 LYS 20 1HB LYS 20 8.643 -2.090 -1.417 137 HB3 LYS 20 2HB LYS 20 9.679 -1.270 -2.587 138 HG2 LYS 20 1HG LYS 20 9.780 0.719 -1.086 139 HG3 LYS 20 2HG LYS 20 8.798 -0.160 0.110 140 HD2 LYS 20 1HD LYS 20 10.523 -1.947 0.202 141 HD3 LYS 20 2HD LYS 20 11.542 -1.033 -0.914 142 HE2 LYS 20 1HE LYS 20 10.589 -0.025 1.811 143 HE3 LYS 20 2HE LYS 20 12.135 -0.831 1.536 144 HZ1 LYS 20 3HZ LYS 20 12.411 1.561 1.493 145 HZ2 LYS 20 1HZ LYS 20 11.325 1.740 0.289 146 HZ3 LYS 20 2HZ LYS 20 12.742 0.968 0.012 147 H ASN 21 H ASN 21 6.133 -2.477 -2.421 148 HA ASN 21 HA ASN 21 6.270 -3.077 -5.350 149 HB2 ASN 21 1HB ASN 21 6.062 -5.121 -3.108 150 HB3 ASN 21 2HB ASN 21 6.229 -5.446 -4.828 151 HD21 ASN 21 1HD2 ASN 21 7.866 -4.897 -1.892 152 HD22 ASN 21 2HD2 ASN 21 9.495 -4.953 -2.564 153 H GLU 22 H GLU 22 4.480 -4.195 -6.225 154 HA GLU 22 HA GLU 22 1.888 -3.251 -5.456 155 HB2 GLU 22 1HB GLU 22 2.711 -4.098 -7.756 156 HB3 GLU 22 2HB GLU 22 2.485 -5.727 -7.133 157 HG2 GLU 22 1HG GLU 22 0.086 -5.239 -6.733 158 HG3 GLU 22 2HG GLU 22 0.321 -3.576 -7.267 159 H LEU 23 H LEU 23 3.605 -6.294 -4.865 160 HA LEU 23 HA LEU 23 1.613 -7.762 -3.497 161 HB2 LEU 23 1HB LEU 23 3.618 -8.811 -4.264 162 HB3 LEU 23 2HB LEU 23 4.646 -7.711 -3.341 163 HG LEU 23 HG LEU 23 3.866 -8.709 -1.220 164 HD11 LEU 23 1HD1 LEU 23 1.623 -9.501 -1.846 165 HD12 LEU 23 2HD1 LEU 23 2.602 -10.839 -1.246 166 HD13 LEU 23 3HD1 LEU 23 2.334 -10.659 -2.995 167 HD21 LEU 23 3HD2 LEU 23 5.873 -9.567 -2.345 168 HD22 LEU 23 1HD2 LEU 23 4.883 -10.746 -3.237 169 HD23 LEU 23 2HD2 LEU 23 5.026 -10.852 -1.466 170 H ASP 24 H ASP 24 4.129 -5.565 -2.073 171 HA ASP 24 HA ASP 24 3.320 -5.980 0.614 172 HB2 ASP 24 1HB ASP 24 4.811 -3.710 -0.730 173 HB3 ASP 24 2HB ASP 24 4.542 -3.781 1.015 174 H ARG 25 H ARG 25 2.079 -3.728 -1.764 175 HA ARG 25 HA ARG 25 0.312 -2.318 0.122 176 HB2 ARG 25 1HB ARG 25 1.305 -1.337 -1.982 177 HB3 ARG 25 2HB ARG 25 0.310 -2.372 -2.927 178 HG2 ARG 25 1HG ARG 25 -0.827 -0.381 -0.876 179 HG3 ARG 25 2HG ARG 25 -0.424 0.075 -2.532 180 HD2 ARG 25 1HD ARG 25 -2.553 -1.847 -1.600 181 HD3 ARG 25 2HD ARG 25 -2.762 -0.306 -2.406 182 HE ARG 25 HE ARG 25 -1.488 -2.715 -3.612 183 HH11 ARG 25 2HH1 ARG 25 -2.998 0.374 -4.290 184 HH12 ARG 25 1HH1 ARG 25 -3.420 -0.103 -5.917 185 HH21 ARG 25 1HH2 ARG 25 -2.333 -3.358 -5.499 186 HH22 ARG 25 2HH2 ARG 25 -2.953 -2.178 -6.648 187 H ASP 26 H ASP 26 -0.067 -4.904 -2.321 188 HA ASP 26 HA ASP 26 -2.875 -5.173 -2.058 189 HB2 ASP 26 1HB ASP 26 -0.658 -7.004 -3.025 190 HB3 ASP 26 2HB ASP 26 -2.298 -7.594 -2.870 191 H ARG 27 H ARG 27 -0.242 -6.826 -0.239 192 HA ARG 27 HA ARG 27 -2.080 -8.342 1.420 193 HB2 ARG 27 1HB ARG 27 -0.225 -8.952 2.763 194 HB3 ARG 27 2HB ARG 27 0.183 -9.109 1.052 195 HG2 ARG 27 1HG ARG 27 1.465 -7.029 1.135 196 HG3 ARG 27 2HG ARG 27 0.984 -6.725 2.779 197 HD2 ARG 27 1HD ARG 27 2.156 -8.871 3.454 198 HD3 ARG 27 2HD ARG 27 2.663 -9.068 1.776 199 HE ARG 27 HE ARG 27 4.267 -7.370 2.022 200 HH11 ARG 27 2HH1 ARG 27 2.367 -7.420 4.985 201 HH12 ARG 27 1HH1 ARG 27 3.480 -6.343 5.782 202 HH21 ARG 27 2HH2 ARG 27 5.529 -6.041 3.014 203 HH22 ARG 27 1HH2 ARG 27 5.280 -5.579 4.698 204 H HIS 28 H HIS 28 -0.996 -5.034 1.637 205 HA HIS 28 HA HIS 28 -2.011 -4.646 4.371 206 HB2 HIS 28 1HB HIS 28 -0.298 -3.166 3.721 207 HB3 HIS 28 2HB HIS 28 -1.015 -2.829 2.156 208 HD1 HIS 28 1HD HIS 28 -1.538 -1.925 5.848 209 HD2 HIS 28 2HD HIS 28 -2.946 -1.025 1.986 210 HE1 HIS 28 1HE HIS 28 -3.075 0.071 6.122 211 H MET 29 H MET 29 -3.462 -4.247 1.046 212 HA MET 29 HA MET 29 -5.860 -3.083 1.930 213 HB2 MET 29 1HB MET 29 -5.680 -5.164 -0.272 214 HB3 MET 29 2HB MET 29 -6.913 -3.929 -0.066 215 HG2 MET 29 1HG MET 29 -4.031 -3.557 -0.863 216 HG3 MET 29 2HG MET 29 -5.454 -3.223 -1.820 217 HE1 MET 29 3HE MET 29 -6.766 0.137 -0.523 218 HE2 MET 29 1HE MET 29 -6.916 -1.199 -1.683 219 HE3 MET 29 2HE MET 29 -7.385 -1.445 0.013 220 H LEU 30 H LEU 30 -4.827 -6.367 2.461 221 HA LEU 30 HA LEU 30 -7.291 -7.649 3.070 222 HB2 LEU 30 1HB LEU 30 -4.595 -8.041 4.424 223 HB3 LEU 30 2HB LEU 30 -5.924 -9.183 4.394 224 HG LEU 30 HG LEU 30 -4.267 -8.317 1.986 225 HD11 LEU 30 1HD1 LEU 30 -4.389 -10.967 3.482 226 HD12 LEU 30 2HD1 LEU 30 -3.071 -9.781 3.581 227 HD13 LEU 30 3HD1 LEU 30 -3.398 -10.609 2.050 228 HD21 LEU 30 3HD2 LEU 30 -5.393 -10.137 0.774 229 HD22 LEU 30 1HD2 LEU 30 -6.531 -8.871 1.246 230 HD23 LEU 30 2HD2 LEU 30 -6.478 -10.399 2.160 231 H VAL 31 H VAL 31 -5.471 -5.264 4.972 232 HA VAL 31 HA VAL 31 -6.834 -5.827 7.473 233 HB VAL 31 HB VAL 31 -5.793 -4.021 8.413 234 HG11 VAL 31 1HG1 VAL 31 -3.474 -4.165 7.905 235 HG12 VAL 31 2HG1 VAL 31 -4.211 -5.769 7.745 236 HG13 VAL 31 3HG1 VAL 31 -3.797 -4.827 6.298 237 HG21 VAL 31 3HG2 VAL 31 -4.605 -2.192 7.151 238 HG22 VAL 31 1HG2 VAL 31 -5.524 -2.697 5.719 239 HG23 VAL 31 2HG2 VAL 31 -6.366 -2.134 7.165 240 H HIS 32 H HIS 32 -7.680 -4.024 4.660 241 HA HIS 32 HA HIS 32 -9.997 -2.682 5.951 242 HB2 HIS 32 1HB HIS 32 -9.053 -2.528 3.069 243 HB3 HIS 32 2HB HIS 32 -10.186 -1.462 3.897 244 HD1 HIS 32 1HD HIS 32 -8.701 -0.426 6.346 245 HD2 HIS 32 2HD HIS 32 -6.938 -1.143 2.597 246 HE1 HIS 32 1HE HIS 32 -6.632 1.042 6.273 247 H GLY 33 H GLY 33 -9.254 -5.194 3.546 248 HA2 GLY 33 1HA GLY 33 -10.447 -7.145 3.134 249 HA3 GLY 33 2HA GLY 33 -11.807 -6.536 4.065 250 H ASP 34 H ASP 34 -12.736 -7.762 2.170 251 HA ASP 34 HA ASP 34 -13.315 -5.977 -0.156 252 HB2 ASP 34 1HB ASP 34 -11.896 -8.000 -0.607 253 HB3 ASP 34 2HB ASP 34 -13.247 -9.011 -0.101 254 H LYS 35 H LYS 35 -14.670 -6.051 2.402 255 HA LYS 35 HA LYS 35 -17.146 -7.513 2.297 256 HB2 LYS 35 1HB LYS 35 -17.639 -6.338 4.370 257 HB3 LYS 35 2HB LYS 35 -15.963 -6.880 4.357 258 HG2 LYS 35 1HG LYS 35 -15.325 -4.497 3.602 259 HG3 LYS 35 2HG LYS 35 -17.002 -4.040 3.945 260 HD2 LYS 35 1HD LYS 35 -16.700 -4.877 6.291 261 HD3 LYS 35 2HD LYS 35 -15.006 -5.229 5.932 262 HE2 LYS 35 1HE LYS 35 -16.343 -2.484 5.867 263 HE3 LYS 35 2HE LYS 35 -15.288 -3.101 7.140 264 HZ1 LYS 35 3HZ LYS 35 -13.995 -1.731 5.700 265 HZ2 LYS 35 1HZ LYS 35 -14.484 -2.488 4.349 266 HZ3 LYS 35 2HZ LYS 35 -13.499 -3.262 5.400 267 H TRP 36 H TRP 36 -16.300 -4.559 0.869 268 HA TRP 36 HA TRP 36 -19.014 -3.429 0.672 269 HB2 TRP 36 1HB TRP 36 -17.462 -1.685 -0.675 270 HB3 TRP 36 2HB TRP 36 -17.744 -1.652 1.050 271 HD1 TRP 36 1HD TRP 36 -15.136 -3.712 -0.967 272 HE1 TRP 36 1HE TRP 36 -12.832 -3.418 0.155 273 HE3 TRP 36 3HE TRP 36 -16.390 -0.268 2.625 274 HZ2 TRP 36 2HZ TRP 36 -11.663 -1.771 2.170 275 HZ3 TRP 36 3HZ TRP 36 -14.637 0.690 4.099 276 HH2 TRP 36 2HH TRP 36 -12.269 -0.043 3.885 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 19.211 2.862 -6.780 2 H2 GLY 1 2H GLY 1 19.709 1.714 -5.723 3 H3 GLY 1 3H GLY 1 19.321 1.296 -7.260 4 HA2 GLY 1 1HA GLY 1 21.717 1.303 -6.975 5 HA3 GLY 1 2HA GLY 1 21.184 2.521 -8.149 6 H SER 2 H SER 2 22.393 4.335 -7.902 7 HA SER 2 HA SER 2 23.747 5.154 -5.525 8 HB2 SER 2 1HB SER 2 24.089 7.278 -6.776 9 HB3 SER 2 2HB SER 2 24.507 5.830 -7.706 10 HG SER 2 HG SER 2 23.254 7.330 -8.932 11 H SER 3 H SER 3 20.443 5.540 -6.408 12 HA SER 3 HA SER 3 19.568 7.746 -4.848 13 HB2 SER 3 1HB SER 3 17.406 6.453 -4.885 14 HB3 SER 3 2HB SER 3 18.151 6.642 -6.483 15 HG SER 3 HG SER 3 17.369 4.446 -5.784 16 H GLY 4 H GLY 4 20.611 4.521 -3.855 17 HA2 GLY 4 1HA GLY 4 20.867 3.549 -1.789 18 HA3 GLY 4 2HA GLY 4 20.434 5.078 -1.022 19 H SER 5 H SER 5 17.954 4.148 -3.167 20 HA SER 5 HA SER 5 16.455 2.414 -1.328 21 HB2 SER 5 1HB SER 5 16.111 4.650 -0.340 22 HB3 SER 5 2HB SER 5 15.543 5.265 -1.904 23 HG SER 5 HG SER 5 13.873 4.589 -0.367 24 H SER 6 H SER 6 14.648 1.463 -2.267 25 HA SER 6 HA SER 6 14.360 1.498 -5.184 26 HB2 SER 6 1HB SER 6 12.671 0.144 -3.047 27 HB3 SER 6 2HB SER 6 12.605 -0.163 -4.793 28 HG SER 6 HG SER 6 13.910 -1.706 -3.692 29 H GLY 7 H GLY 7 13.067 3.407 -2.636 30 HA2 GLY 7 1HA GLY 7 11.503 5.114 -2.635 31 HA3 GLY 7 2HA GLY 7 11.224 4.855 -4.356 32 H LEU 8 H LEU 8 9.061 5.484 -3.357 33 HA LEU 8 HA LEU 8 7.472 3.017 -2.781 34 HB2 LEU 8 1HB LEU 8 6.784 5.892 -2.079 35 HB3 LEU 8 2HB LEU 8 5.773 4.478 -1.789 36 HG LEU 8 HG LEU 8 8.491 4.992 -0.496 37 HD11 LEU 8 1HD1 LEU 8 6.710 6.521 0.286 38 HD12 LEU 8 2HD1 LEU 8 7.214 5.385 1.548 39 HD13 LEU 8 3HD1 LEU 8 5.688 5.120 0.681 40 HD21 LEU 8 3HD2 LEU 8 7.997 2.562 -0.695 41 HD22 LEU 8 1HD2 LEU 8 6.425 2.831 0.085 42 HD23 LEU 8 2HD2 LEU 8 7.930 3.107 0.983 43 H LEU 9 H LEU 9 5.993 2.448 -4.151 44 HA LEU 9 HA LEU 9 5.534 4.082 -6.636 45 HB2 LEU 9 1HB LEU 9 6.226 1.145 -6.254 46 HB3 LEU 9 2HB LEU 9 5.679 1.819 -7.780 47 HG LEU 9 HG LEU 9 8.236 2.617 -6.307 48 HD11 LEU 9 1HD1 LEU 9 8.304 0.330 -7.218 49 HD12 LEU 9 2HD1 LEU 9 9.382 1.412 -8.112 50 HD13 LEU 9 3HD1 LEU 9 7.816 0.940 -8.815 51 HD21 LEU 9 3HD2 LEU 9 7.206 3.400 -9.073 52 HD22 LEU 9 1HD2 LEU 9 8.836 3.739 -8.448 53 HD23 LEU 9 2HD2 LEU 9 7.434 4.490 -7.685 54 H TYR 10 H TYR 10 4.056 1.932 -4.293 55 HA TYR 10 HA TYR 10 1.486 1.955 -5.836 56 HB2 TYR 10 1HB TYR 10 2.534 -0.190 -3.956 57 HB3 TYR 10 2HB TYR 10 1.006 -0.209 -4.810 58 HD1 TYR 10 1HD TYR 10 4.692 -0.423 -5.224 59 HD2 TYR 10 2HD TYR 10 0.857 -0.728 -7.178 60 HE1 TYR 10 1HE TYR 10 5.799 -1.333 -7.274 61 HE2 TYR 10 2HE TYR 10 1.951 -1.693 -9.187 62 HH TYR 10 HH TYR 10 3.937 -2.281 -10.182 63 H ASP 11 H ASP 11 -0.445 2.289 -4.729 64 HA ASP 11 HA ASP 11 -0.192 3.372 -1.961 65 HB2 ASP 11 1HB ASP 11 -1.438 5.282 -2.563 66 HB3 ASP 11 2HB ASP 11 -0.115 5.133 -3.711 67 H CYS 12 H CYS 12 -1.801 3.215 -0.577 68 HA CYS 12 HA CYS 12 -4.070 1.406 -1.046 69 HB2 CYS 12 1HB CYS 12 -2.844 1.277 1.033 70 HB3 CYS 12 2HB CYS 12 -3.069 3.014 1.327 71 H HIS 13 H HIS 13 -6.072 2.034 -1.533 72 HA HIS 13 HA HIS 13 -6.698 4.915 -1.819 73 HB2 HIS 13 1HB HIS 13 -8.525 4.241 -3.219 74 HB3 HIS 13 2HB HIS 13 -7.022 3.515 -3.766 75 HD1 HIS 13 1HD HIS 13 -10.354 2.525 -2.112 76 HD2 HIS 13 2HD HIS 13 -6.924 0.857 -3.888 77 HE1 HIS 13 1HE HIS 13 -10.864 0.047 -2.465 78 H ILE 14 H ILE 14 -6.894 2.909 0.724 79 HA ILE 14 HA ILE 14 -9.569 3.873 1.675 80 HB ILE 14 HB ILE 14 -7.813 1.781 2.921 81 HG12 ILE 14 1HG1 ILE 14 -8.415 0.952 0.708 82 HG13 ILE 14 2HG1 ILE 14 -9.196 0.056 1.987 83 HG21 ILE 14 1HG2 ILE 14 -9.366 2.687 4.519 84 HG22 ILE 14 2HG2 ILE 14 -10.714 2.565 3.373 85 HG23 ILE 14 3HG2 ILE 14 -9.960 1.101 4.036 86 HD11 ILE 14 3HD1 ILE 14 -11.320 1.188 1.565 87 HD12 ILE 14 1HD1 ILE 14 -10.551 2.149 0.274 88 HD13 ILE 14 2HD1 ILE 14 -10.684 0.377 0.126 89 H CYS 15 H CYS 15 -6.111 3.729 2.576 90 HA CYS 15 HA CYS 15 -6.550 5.810 4.652 91 HB2 CYS 15 1HB CYS 15 -5.327 4.655 6.256 92 HB3 CYS 15 2HB CYS 15 -6.630 3.620 5.677 93 H GLU 16 H GLU 16 -5.031 5.321 1.901 94 HA GLU 16 HA GLU 16 -3.484 6.457 0.764 95 HB2 GLU 16 1HB GLU 16 -4.697 8.226 2.363 96 HB3 GLU 16 2HB GLU 16 -3.047 8.452 2.943 97 HG2 GLU 16 1HG GLU 16 -2.339 8.810 0.523 98 HG3 GLU 16 2HG GLU 16 -4.034 8.655 0.059 99 H ARG 17 H ARG 17 -2.496 4.593 3.133 100 HA ARG 17 HA ARG 17 0.336 5.147 3.350 101 HB2 ARG 17 1HB ARG 17 -1.498 2.834 3.887 102 HB3 ARG 17 2HB ARG 17 0.183 2.413 3.560 103 HG2 ARG 17 1HG ARG 17 1.025 3.794 5.309 104 HG3 ARG 17 2HG ARG 17 -0.553 4.545 5.601 105 HD2 ARG 17 1HD ARG 17 -0.159 1.544 5.867 106 HD3 ARG 17 2HD ARG 17 0.276 2.654 7.164 107 HE ARG 17 HE ARG 17 -2.466 2.849 5.980 108 HH11 ARG 17 2HH1 ARG 17 -0.649 1.992 8.864 109 HH12 ARG 17 1HH1 ARG 17 -2.085 2.032 9.850 110 HH21 ARG 17 2HH2 ARG 17 -4.157 2.838 7.196 111 HH22 ARG 17 1HH2 ARG 17 -4.066 2.519 8.924 112 H LYS 18 H LYS 18 2.066 4.052 2.374 113 HA LYS 18 HA LYS 18 1.620 3.206 -0.445 114 HB2 LYS 18 1HB LYS 18 3.307 5.565 0.429 115 HB3 LYS 18 2HB LYS 18 3.489 4.765 -1.141 116 HG2 LYS 18 1HG LYS 18 1.299 5.292 -1.847 117 HG3 LYS 18 2HG LYS 18 0.808 5.893 -0.267 118 HD2 LYS 18 1HD LYS 18 2.997 7.155 -1.955 119 HD3 LYS 18 2HD LYS 18 1.313 7.681 -1.987 120 HE2 LYS 18 1HE LYS 18 2.983 7.575 0.560 121 HE3 LYS 18 2HE LYS 18 2.906 9.000 -0.478 122 HZ1 LYS 18 3HZ LYS 18 1.291 9.148 1.328 123 HZ2 LYS 18 1HZ LYS 18 0.531 7.779 0.864 124 HZ3 LYS 18 2HZ LYS 18 0.511 9.100 -0.101 125 H PHE 19 H PHE 19 3.237 2.126 -1.452 126 HA PHE 19 HA PHE 19 5.178 0.732 0.364 127 HB2 PHE 19 1HB PHE 19 3.179 -0.479 -1.551 128 HB3 PHE 19 2HB PHE 19 4.317 -1.374 -0.573 129 HD1 PHE 19 1HD PHE 19 4.107 -1.575 1.853 130 HD2 PHE 19 2HD PHE 19 1.138 0.506 -0.463 131 HE1 PHE 19 1HE PHE 19 2.617 -1.564 3.808 132 HE2 PHE 19 2HE PHE 19 -0.335 0.626 1.545 133 HZ PHE 19 HZ PHE 19 0.415 -0.376 3.702 134 H LYS 20 H LYS 20 6.634 -0.717 -0.634 135 HA LYS 20 HA LYS 20 8.063 0.522 -2.822 136 HB2 LYS 20 1HB LYS 20 8.683 -2.124 -1.421 137 HB3 LYS 20 2HB LYS 20 9.764 -1.162 -2.409 138 HG2 LYS 20 1HG LYS 20 10.531 -0.534 -0.372 139 HG3 LYS 20 2HG LYS 20 9.335 0.723 -0.627 140 HD2 LYS 20 1HD LYS 20 9.155 -0.018 1.645 141 HD3 LYS 20 2HD LYS 20 7.725 -0.635 0.824 142 HE2 LYS 20 1HE LYS 20 8.975 -2.846 0.519 143 HE3 LYS 20 2HE LYS 20 10.268 -2.166 1.514 144 HZ1 LYS 20 3HZ LYS 20 8.535 -1.879 3.290 145 HZ2 LYS 20 1HZ LYS 20 8.809 -3.440 2.904 146 HZ3 LYS 20 2HZ LYS 20 7.462 -2.710 2.356 147 H ASN 21 H ASN 21 6.271 -2.510 -2.462 148 HA ASN 21 HA ASN 21 6.207 -2.790 -5.426 149 HB2 ASN 21 1HB ASN 21 6.291 -5.292 -5.116 150 HB3 ASN 21 2HB ASN 21 7.792 -4.464 -4.828 151 HD21 ASN 21 1HD2 ASN 21 8.803 -4.709 -2.845 152 HD22 ASN 21 2HD2 ASN 21 8.071 -5.609 -1.522 153 H GLU 22 H GLU 22 4.471 -4.067 -6.215 154 HA GLU 22 HA GLU 22 1.940 -3.171 -5.317 155 HB2 GLU 22 1HB GLU 22 2.708 -3.987 -7.653 156 HB3 GLU 22 2HB GLU 22 2.454 -5.620 -7.057 157 HG2 GLU 22 1HG GLU 22 0.073 -5.084 -6.608 158 HG3 GLU 22 2HG GLU 22 0.338 -3.418 -7.114 159 H LEU 23 H LEU 23 3.664 -6.215 -4.784 160 HA LEU 23 HA LEU 23 1.644 -7.727 -3.495 161 HB2 LEU 23 1HB LEU 23 3.609 -8.794 -4.299 162 HB3 LEU 23 2HB LEU 23 4.681 -7.723 -3.410 163 HG LEU 23 HG LEU 23 3.903 -8.743 -1.255 164 HD11 LEU 23 1HD1 LEU 23 2.341 -10.649 -3.052 165 HD12 LEU 23 2HD1 LEU 23 1.647 -9.505 -1.882 166 HD13 LEU 23 3HD1 LEU 23 2.619 -10.858 -1.309 167 HD21 LEU 23 3HD2 LEU 23 4.870 -10.763 -3.319 168 HD22 LEU 23 1HD2 LEU 23 5.033 -10.898 -1.552 169 HD23 LEU 23 2HD2 LEU 23 5.891 -9.616 -2.421 170 H ASP 24 H ASP 24 4.165 -5.613 -1.971 171 HA ASP 24 HA ASP 24 3.348 -6.078 0.662 172 HB2 ASP 24 1HB ASP 24 5.489 -4.983 -0.234 173 HB3 ASP 24 2HB ASP 24 4.570 -3.476 -0.226 174 H ARG 25 H ARG 25 2.138 -3.738 -1.660 175 HA ARG 25 HA ARG 25 0.319 -2.367 0.197 176 HB2 ARG 25 1HB ARG 25 1.320 -1.370 -1.886 177 HB3 ARG 25 2HB ARG 25 0.344 -2.400 -2.854 178 HG2 ARG 25 1HG ARG 25 -0.826 -0.427 -0.807 179 HG3 ARG 25 2HG ARG 25 -0.409 0.036 -2.458 180 HD2 ARG 25 1HD ARG 25 -2.542 -1.894 -1.553 181 HD3 ARG 25 2HD ARG 25 -2.754 -0.348 -2.346 182 HE ARG 25 HE ARG 25 -1.464 -2.746 -3.569 183 HH11 ARG 25 2HH1 ARG 25 -3.019 0.328 -4.236 184 HH12 ARG 25 1HH1 ARG 25 -3.463 -0.163 -5.853 185 HH21 ARG 25 2HH2 ARG 25 -2.318 -3.397 -5.449 186 HH22 ARG 25 1HH2 ARG 25 -2.963 -2.221 -6.588 187 H ASP 26 H ASP 26 -0.043 -4.926 -2.283 188 HA ASP 26 HA ASP 26 -2.845 -5.214 -2.032 189 HB2 ASP 26 1HB ASP 26 -0.618 -7.026 -2.994 190 HB3 ASP 26 2HB ASP 26 -2.250 -7.637 -2.837 191 H ARG 27 H ARG 27 -0.228 -6.914 -0.203 192 HA ARG 27 HA ARG 27 -2.130 -8.398 1.418 193 HB2 ARG 27 1HB ARG 27 -0.321 -9.057 2.795 194 HB3 ARG 27 2HB ARG 27 0.116 -9.231 1.096 195 HG2 ARG 27 1HG ARG 27 1.530 -7.273 1.187 196 HG3 ARG 27 2HG ARG 27 0.951 -6.832 2.783 197 HD2 ARG 27 1HD ARG 27 1.908 -8.972 3.676 198 HD3 ARG 27 2HD ARG 27 2.557 -9.320 2.060 199 HE ARG 27 HE ARG 27 3.498 -6.740 2.810 200 HH11 ARG 27 2HH1 ARG 27 3.998 -10.028 3.962 201 HH12 ARG 27 1HH1 ARG 27 5.572 -9.630 4.597 202 HH21 ARG 27 2HH2 ARG 27 5.390 -6.335 3.557 203 HH22 ARG 27 1HH2 ARG 27 6.374 -7.545 4.389 204 H HIS 28 H HIS 28 -1.015 -5.129 1.649 205 HA HIS 28 HA HIS 28 -2.031 -4.719 4.388 206 HB2 HIS 28 1HB HIS 28 -0.306 -3.250 3.763 207 HB3 HIS 28 2HB HIS 28 -0.994 -2.909 2.188 208 HD1 HIS 28 1HD HIS 28 -1.556 -1.988 5.866 209 HD2 HIS 28 2HD HIS 28 -2.919 -1.088 1.989 210 HE1 HIS 28 1HE HIS 28 -3.084 0.015 6.120 211 H MET 29 H MET 29 -3.452 -4.317 1.055 212 HA MET 29 HA MET 29 -5.852 -3.143 1.926 213 HB2 MET 29 1HB MET 29 -5.648 -5.207 -0.288 214 HB3 MET 29 2HB MET 29 -6.895 -3.988 -0.080 215 HG2 MET 29 1HG MET 29 -4.009 -3.571 -0.842 216 HG3 MET 29 2HG MET 29 -5.422 -3.266 -1.823 217 HE1 MET 29 3HE MET 29 -7.422 -1.535 -0.037 218 HE2 MET 29 1HE MET 29 -6.831 0.063 -0.550 219 HE3 MET 29 2HE MET 29 -6.924 -1.266 -1.722 220 H LEU 30 H LEU 30 -4.835 -6.431 2.472 221 HA LEU 30 HA LEU 30 -7.321 -7.691 3.066 222 HB2 LEU 30 1HB LEU 30 -4.619 -8.120 4.396 223 HB3 LEU 30 2HB LEU 30 -5.958 -9.243 4.382 224 HG LEU 30 HG LEU 30 -4.324 -8.394 1.953 225 HD11 LEU 30 1HD1 LEU 30 -3.117 -9.865 3.532 226 HD12 LEU 30 2HD1 LEU 30 -3.469 -10.693 2.007 227 HD13 LEU 30 3HD1 LEU 30 -4.446 -11.042 3.452 228 HD21 LEU 30 3HD2 LEU 30 -5.480 -10.209 0.758 229 HD22 LEU 30 1HD2 LEU 30 -6.602 -8.934 1.243 230 HD23 LEU 30 2HD2 LEU 30 -6.548 -10.459 2.161 231 H VAL 31 H VAL 31 -5.526 -5.306 4.943 232 HA VAL 31 HA VAL 31 -6.904 -5.863 7.450 233 HB VAL 31 HB VAL 31 -5.853 -4.076 8.393 234 HG11 VAL 31 1HG1 VAL 31 -4.289 -5.850 7.747 235 HG12 VAL 31 2HG1 VAL 31 -3.840 -4.914 6.306 236 HG13 VAL 31 3HG1 VAL 31 -3.525 -4.260 7.919 237 HG21 VAL 31 3HG2 VAL 31 -4.616 -2.266 7.145 238 HG22 VAL 31 1HG2 VAL 31 -5.543 -2.748 5.710 239 HG23 VAL 31 2HG2 VAL 31 -6.376 -2.178 7.157 240 H HIS 32 H HIS 32 -7.715 -4.124 4.612 241 HA HIS 32 HA HIS 32 -10.015 -2.708 5.861 242 HB2 HIS 32 1HB HIS 32 -9.000 -2.578 3.001 243 HB3 HIS 32 2HB HIS 32 -10.166 -1.512 3.773 244 HD1 HIS 32 1HD HIS 32 -8.713 -0.503 6.299 245 HD2 HIS 32 2HD HIS 32 -6.901 -1.166 2.563 246 HE1 HIS 32 1HE HIS 32 -6.642 0.963 6.277 247 H GLY 33 H GLY 33 -9.347 -4.947 3.142 248 HA2 GLY 33 1HA GLY 33 -10.656 -6.450 1.982 249 HA3 GLY 33 2HA GLY 33 -11.102 -6.956 3.609 250 H ASP 34 H ASP 34 -13.190 -7.234 3.772 251 HA ASP 34 HA ASP 34 -15.019 -5.024 3.080 252 HB2 ASP 34 1HB ASP 34 -15.209 -6.845 1.344 253 HB3 ASP 34 2HB ASP 34 -15.753 -7.932 2.625 254 H LYS 35 H LYS 35 -13.630 -5.583 5.402 255 HA LYS 35 HA LYS 35 -15.489 -6.823 7.380 256 HB2 LYS 35 1HB LYS 35 -13.428 -7.323 8.670 257 HB3 LYS 35 2HB LYS 35 -13.458 -8.069 7.074 258 HG2 LYS 35 1HG LYS 35 -11.946 -6.380 6.173 259 HG3 LYS 35 2HG LYS 35 -12.013 -5.448 7.674 260 HD2 LYS 35 1HD LYS 35 -9.937 -6.603 7.524 261 HD3 LYS 35 2HD LYS 35 -10.876 -7.316 8.848 262 HE2 LYS 35 1HE LYS 35 -11.410 -9.267 7.538 263 HE3 LYS 35 2HE LYS 35 -10.890 -8.491 6.035 264 HZ1 LYS 35 3HZ LYS 35 -8.626 -8.550 6.786 265 HZ2 LYS 35 1HZ LYS 35 -9.230 -10.066 6.881 266 HZ3 LYS 35 2HZ LYS 35 -9.038 -9.188 8.247 267 H TRP 36 H TRP 36 -15.571 -4.088 6.491 268 HA TRP 36 HA TRP 36 -14.564 -2.066 7.999 269 HB2 TRP 36 1HB TRP 36 -17.480 -2.051 7.221 270 HB3 TRP 36 2HB TRP 36 -16.329 -0.726 7.198 271 HD1 TRP 36 1HD TRP 36 -17.866 -3.357 5.096 272 HE1 TRP 36 1HE TRP 36 -16.828 -3.503 2.759 273 HE3 TRP 36 3HE TRP 36 -13.797 -0.331 5.855 274 HZ2 TRP 36 2HZ TRP 36 -14.550 -2.377 1.372 275 HZ3 TRP 36 3HZ TRP 36 -12.198 0.098 4.003 276 HH2 TRP 36 2HH TRP 36 -12.557 -0.929 1.765 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 6.063 14.411 -10.940 2 H2 GLY 1 2H GLY 1 6.660 14.581 -12.458 3 H3 GLY 1 3H GLY 1 7.676 14.299 -11.197 4 HA2 GLY 1 1HA GLY 1 5.628 12.405 -12.174 5 HA3 GLY 1 2HA GLY 1 7.362 12.294 -12.531 6 H SER 2 H SER 2 8.151 10.587 -11.365 7 HA SER 2 HA SER 2 7.321 9.925 -8.655 8 HB2 SER 2 1HB SER 2 9.349 8.471 -8.711 9 HB3 SER 2 2HB SER 2 8.231 8.200 -10.059 10 HG SER 2 HG SER 2 10.414 8.325 -10.769 11 H SER 3 H SER 3 10.043 11.667 -10.099 12 HA SER 3 HA SER 3 11.492 13.230 -9.385 13 HB2 SER 3 1HB SER 3 9.097 14.092 -7.749 14 HB3 SER 3 2HB SER 3 10.463 15.122 -8.210 15 HG SER 3 HG SER 3 9.908 14.936 -10.346 16 H GLY 4 H GLY 4 11.577 10.773 -7.645 17 HA2 GLY 4 1HA GLY 4 12.988 10.033 -5.973 18 HA3 GLY 4 2HA GLY 4 13.712 11.635 -5.948 19 H SER 5 H SER 5 13.943 11.104 -3.661 20 HA SER 5 HA SER 5 13.450 11.240 -1.454 21 HB2 SER 5 1HB SER 5 11.628 13.477 -2.386 22 HB3 SER 5 2HB SER 5 12.272 13.258 -0.750 23 HG SER 5 HG SER 5 13.755 13.736 -3.138 24 H SER 6 H SER 6 11.905 9.190 -2.664 25 HA SER 6 HA SER 6 9.752 8.897 -0.644 26 HB2 SER 6 1HB SER 6 8.524 9.906 -2.433 27 HB3 SER 6 2HB SER 6 9.265 8.841 -3.640 28 HG SER 6 HG SER 6 7.127 8.199 -2.959 29 H GLY 7 H GLY 7 10.813 7.169 -3.634 30 HA2 GLY 7 1HA GLY 7 11.647 4.990 -3.873 31 HA3 GLY 7 2HA GLY 7 11.627 4.789 -2.110 32 H LEU 8 H LEU 8 8.589 5.895 -2.897 33 HA LEU 8 HA LEU 8 7.525 3.113 -2.774 34 HB2 LEU 8 1HB LEU 8 6.222 5.705 -1.908 35 HB3 LEU 8 2HB LEU 8 5.627 4.063 -1.645 36 HG LEU 8 HG LEU 8 8.226 5.156 -0.468 37 HD11 LEU 8 1HD1 LEU 8 5.622 4.678 0.982 38 HD12 LEU 8 2HD1 LEU 8 6.147 6.273 0.385 39 HD13 LEU 8 3HD1 LEU 8 7.118 5.412 1.596 40 HD21 LEU 8 3HD2 LEU 8 8.208 2.686 -0.702 41 HD22 LEU 8 1HD2 LEU 8 6.657 2.621 0.160 42 HD23 LEU 8 2HD2 LEU 8 8.121 3.179 0.995 43 H LEU 9 H LEU 9 6.418 2.320 -4.299 44 HA LEU 9 HA LEU 9 5.688 3.966 -6.684 45 HB2 LEU 9 1HB LEU 9 6.339 1.029 -6.267 46 HB3 LEU 9 2HB LEU 9 5.766 1.688 -7.790 47 HG LEU 9 HG LEU 9 8.363 2.453 -6.370 48 HD11 LEU 9 1HD1 LEU 9 7.863 0.816 -8.892 49 HD12 LEU 9 2HD1 LEU 9 8.372 0.175 -7.315 50 HD13 LEU 9 3HD1 LEU 9 9.451 1.249 -8.216 51 HD21 LEU 9 3HD2 LEU 9 7.281 3.301 -9.094 52 HD22 LEU 9 1HD2 LEU 9 8.939 3.581 -8.520 53 HD23 LEU 9 2HD2 LEU 9 7.589 4.360 -7.698 54 H TYR 10 H TYR 10 4.215 1.950 -4.261 55 HA TYR 10 HA TYR 10 1.609 1.964 -5.742 56 HB2 TYR 10 1HB TYR 10 2.682 -0.136 -3.824 57 HB3 TYR 10 2HB TYR 10 1.128 -0.167 -4.624 58 HD1 TYR 10 1HD TYR 10 4.787 -0.443 -5.148 59 HD2 TYR 10 2HD TYR 10 0.899 -0.696 -6.999 60 HE1 TYR 10 1HE TYR 10 5.828 -1.365 -7.231 61 HE2 TYR 10 2HE TYR 10 1.929 -1.658 -9.047 62 HH TYR 10 HH TYR 10 3.879 -2.269 -10.094 63 H ASP 11 H ASP 11 -0.278 2.374 -4.644 64 HA ASP 11 HA ASP 11 -0.048 3.397 -1.858 65 HB2 ASP 11 1HB ASP 11 -1.229 5.368 -2.412 66 HB3 ASP 11 2HB ASP 11 0.123 5.232 -3.526 67 H CYS 12 H CYS 12 -1.738 3.298 -0.550 68 HA CYS 12 HA CYS 12 -3.967 1.460 -1.136 69 HB2 CYS 12 1HB CYS 12 -2.761 1.304 0.973 70 HB3 CYS 12 2HB CYS 12 -3.096 3.012 1.325 71 H HIS 13 H HIS 13 -5.892 2.134 -1.853 72 HA HIS 13 HA HIS 13 -6.531 5.007 -1.945 73 HB2 HIS 13 1HB HIS 13 -8.286 4.451 -3.445 74 HB3 HIS 13 2HB HIS 13 -6.793 3.686 -3.965 75 HD1 HIS 13 1HD HIS 13 -10.175 2.755 -2.339 76 HD2 HIS 13 2HD HIS 13 -6.921 1.090 -4.420 77 HE1 HIS 13 1HE HIS 13 -10.858 0.371 -2.945 78 H ILE 14 H ILE 14 -6.813 2.929 0.508 79 HA ILE 14 HA ILE 14 -9.532 3.821 1.382 80 HB ILE 14 HB ILE 14 -7.792 1.731 2.657 81 HG12 ILE 14 1HG1 ILE 14 -8.275 0.996 0.354 82 HG13 ILE 14 2HG1 ILE 14 -9.031 0.003 1.581 83 HG21 ILE 14 1HG2 ILE 14 -10.011 0.987 3.613 84 HG22 ILE 14 2HG2 ILE 14 -9.447 2.554 4.189 85 HG23 ILE 14 3HG2 ILE 14 -10.726 2.472 2.962 86 HD11 ILE 14 3HD1 ILE 14 -11.207 0.993 1.151 87 HD12 ILE 14 1HD1 ILE 14 -10.480 2.116 -0.035 88 HD13 ILE 14 2HD1 ILE 14 -10.482 0.358 -0.335 89 H CYS 15 H CYS 15 -6.117 3.722 2.416 90 HA CYS 15 HA CYS 15 -6.667 5.757 4.514 91 HB2 CYS 15 1HB CYS 15 -5.501 4.570 6.143 92 HB3 CYS 15 2HB CYS 15 -6.751 3.521 5.471 93 H GLU 16 H GLU 16 -5.003 5.323 1.821 94 HA GLU 16 HA GLU 16 -3.416 6.496 0.790 95 HB2 GLU 16 1HB GLU 16 -4.725 8.222 2.357 96 HB3 GLU 16 2HB GLU 16 -3.109 8.457 3.021 97 HG2 GLU 16 1HG GLU 16 -2.280 8.918 0.677 98 HG3 GLU 16 2HG GLU 16 -3.922 8.668 0.083 99 H ARG 17 H ARG 17 -2.522 4.540 3.085 100 HA ARG 17 HA ARG 17 0.307 5.138 3.438 101 HB2 ARG 17 1HB ARG 17 -1.526 2.802 3.901 102 HB3 ARG 17 2HB ARG 17 0.172 2.408 3.649 103 HG2 ARG 17 1HG ARG 17 0.916 3.771 5.446 104 HG3 ARG 17 2HG ARG 17 -0.668 4.533 5.655 105 HD2 ARG 17 1HD ARG 17 -0.311 1.529 5.962 106 HD3 ARG 17 2HD ARG 17 0.060 2.647 7.272 107 HE ARG 17 HE ARG 17 -2.611 2.851 5.941 108 HH11 ARG 17 2HH1 ARG 17 -0.952 2.003 8.923 109 HH12 ARG 17 1HH1 ARG 17 -2.440 2.054 9.831 110 HH21 ARG 17 2HH2 ARG 17 -4.360 2.854 7.066 111 HH22 ARG 17 1HH2 ARG 17 -4.366 2.545 8.798 112 H LYS 18 H LYS 18 2.067 3.926 2.540 113 HA LYS 18 HA LYS 18 1.699 3.140 -0.307 114 HB2 LYS 18 1HB LYS 18 3.535 5.368 0.649 115 HB3 LYS 18 2HB LYS 18 3.600 4.601 -0.951 116 HG2 LYS 18 1HG LYS 18 1.173 5.272 -1.255 117 HG3 LYS 18 2HG LYS 18 1.360 6.277 0.199 118 HD2 LYS 18 1HD LYS 18 3.288 7.437 -0.901 119 HD3 LYS 18 2HD LYS 18 3.022 6.437 -2.359 120 HE2 LYS 18 1HE LYS 18 0.721 7.277 -2.516 121 HE3 LYS 18 2HE LYS 18 0.981 8.277 -1.073 122 HZ1 LYS 18 3HZ LYS 18 1.276 9.581 -3.116 123 HZ2 LYS 18 1HZ LYS 18 2.457 8.585 -3.643 124 HZ3 LYS 18 2HZ LYS 18 2.691 9.504 -2.310 125 H PHE 19 H PHE 19 3.323 2.069 -1.314 126 HA PHE 19 HA PHE 19 5.275 0.631 0.451 127 HB2 PHE 19 1HB PHE 19 3.244 -0.658 -1.382 128 HB3 PHE 19 2HB PHE 19 4.390 -1.499 -0.369 129 HD1 PHE 19 1HD PHE 19 4.136 -1.567 2.115 130 HD2 PHE 19 2HD PHE 19 1.221 0.372 -0.393 131 HE1 PHE 19 1HE PHE 19 2.580 -1.418 4.043 132 HE2 PHE 19 2HE PHE 19 -0.326 0.558 1.552 133 HZ PHE 19 HZ PHE 19 0.360 -0.333 3.776 134 H LYS 20 H LYS 20 6.799 -0.713 -0.624 135 HA LYS 20 HA LYS 20 7.974 0.593 -2.936 136 HB2 LYS 20 1HB LYS 20 8.812 -1.868 -1.334 137 HB3 LYS 20 2HB LYS 20 9.768 -1.131 -2.622 138 HG2 LYS 20 1HG LYS 20 9.852 1.007 -1.336 139 HG3 LYS 20 2HG LYS 20 8.916 0.251 -0.041 140 HD2 LYS 20 1HD LYS 20 11.216 0.252 0.610 141 HD3 LYS 20 2HD LYS 20 10.743 -1.421 0.281 142 HE2 LYS 20 1HE LYS 20 11.817 -1.285 -1.958 143 HE3 LYS 20 2HE LYS 20 12.233 0.409 -1.663 144 HZ1 LYS 20 3HZ LYS 20 13.634 -0.330 0.192 145 HZ2 LYS 20 1HZ LYS 20 14.106 -1.064 -1.186 146 HZ3 LYS 20 2HZ LYS 20 13.245 -1.895 -0.077 147 H ASN 21 H ASN 21 6.261 -2.478 -2.492 148 HA ASN 21 HA ASN 21 6.275 -2.853 -5.451 149 HB2 ASN 21 1HB ASN 21 6.374 -5.335 -5.049 150 HB3 ASN 21 2HB ASN 21 7.861 -4.489 -4.699 151 HD21 ASN 21 1HD2 ASN 21 8.640 -4.441 -2.557 152 HD22 ASN 21 2HD2 ASN 21 7.736 -5.157 -1.210 153 H GLU 22 H GLU 22 4.541 -4.125 -6.247 154 HA GLU 22 HA GLU 22 2.001 -3.207 -5.398 155 HB2 GLU 22 1HB GLU 22 2.754 -4.037 -7.711 156 HB3 GLU 22 2HB GLU 22 2.555 -5.674 -7.101 157 HG2 GLU 22 1HG GLU 22 0.163 -5.228 -6.655 158 HG3 GLU 22 2HG GLU 22 0.365 -3.547 -7.153 159 H LEU 23 H LEU 23 3.700 -6.248 -4.806 160 HA LEU 23 HA LEU 23 1.669 -7.743 -3.525 161 HB2 LEU 23 1HB LEU 23 3.646 -8.802 -4.282 162 HB3 LEU 23 2HB LEU 23 4.708 -7.726 -3.376 163 HG LEU 23 HG LEU 23 3.876 -8.741 -1.235 164 HD11 LEU 23 1HD1 LEU 23 2.601 -10.861 -1.317 165 HD12 LEU 23 2HD1 LEU 23 2.372 -10.657 -3.067 166 HD13 LEU 23 3HD1 LEU 23 1.640 -9.511 -1.921 167 HD21 LEU 23 3HD2 LEU 23 5.022 -10.893 -1.499 168 HD22 LEU 23 1HD2 LEU 23 5.896 -9.608 -2.346 169 HD23 LEU 23 2HD2 LEU 23 4.905 -10.761 -3.268 170 H ASP 24 H ASP 24 4.167 -5.638 -1.983 171 HA ASP 24 HA ASP 24 3.277 -5.999 0.661 172 HB2 ASP 24 1HB ASP 24 4.957 -3.898 -0.683 173 HB3 ASP 24 2HB ASP 24 4.462 -3.697 0.992 174 H ARG 25 H ARG 25 2.105 -3.761 -1.752 175 HA ARG 25 HA ARG 25 0.323 -2.327 0.116 176 HB2 ARG 25 1HB ARG 25 1.366 -1.329 -1.953 177 HB3 ARG 25 2HB ARG 25 0.372 -2.332 -2.934 178 HG2 ARG 25 1HG ARG 25 -0.756 -0.342 -0.878 179 HG3 ARG 25 2HG ARG 25 -0.334 0.113 -2.529 180 HD2 ARG 25 1HD ARG 25 -2.506 -1.765 -1.612 181 HD3 ARG 25 2HD ARG 25 -2.683 -0.230 -2.421 182 HE ARG 25 HE ARG 25 -1.442 -2.656 -3.628 183 HH11 ARG 25 2HH1 ARG 25 -2.919 0.455 -4.293 184 HH12 ARG 25 1HH1 ARG 25 -3.358 -0.014 -5.918 185 HH21 ARG 25 2HH2 ARG 25 -2.277 -3.274 -5.531 186 HH22 ARG 25 1HH2 ARG 25 -2.897 -2.079 -6.665 187 H ASP 26 H ASP 26 -0.033 -4.885 -2.345 188 HA ASP 26 HA ASP 26 -2.850 -5.116 -2.146 189 HB2 ASP 26 1HB ASP 26 -0.632 -6.949 -3.108 190 HB3 ASP 26 2HB ASP 26 -2.271 -7.543 -2.971 191 H ARG 27 H ARG 27 -0.268 -6.868 -0.321 192 HA ARG 27 HA ARG 27 -2.172 -8.369 1.274 193 HB2 ARG 27 1HB ARG 27 -0.361 -9.054 2.639 194 HB3 ARG 27 2HB ARG 27 0.093 -9.173 0.940 195 HG2 ARG 27 1HG ARG 27 1.435 -7.142 1.109 196 HG3 ARG 27 2HG ARG 27 0.883 -6.827 2.729 197 HD2 ARG 27 1HD ARG 27 1.945 -9.039 3.429 198 HD3 ARG 27 2HD ARG 27 2.568 -9.190 1.786 199 HE ARG 27 HE ARG 27 4.105 -7.415 2.160 200 HH11 ARG 27 2HH1 ARG 27 2.210 -7.853 5.102 201 HH12 ARG 27 1HH1 ARG 27 3.325 -6.881 6.022 202 HH21 ARG 27 2HH2 ARG 27 5.364 -6.263 3.296 203 HH22 ARG 27 1HH2 ARG 27 5.128 -5.986 5.025 204 H HIS 28 H HIS 28 -0.960 -5.097 1.612 205 HA HIS 28 HA HIS 28 -2.053 -4.729 4.314 206 HB2 HIS 28 1HB HIS 28 -0.298 -3.265 3.720 207 HB3 HIS 28 2HB HIS 28 -0.972 -2.907 2.140 208 HD1 HIS 28 1HD HIS 28 -1.582 -2.021 5.828 209 HD2 HIS 28 2HD HIS 28 -2.884 -1.086 1.939 210 HE1 HIS 28 1HE HIS 28 -3.131 -0.032 6.080 211 H MET 29 H MET 29 -3.377 -4.239 0.958 212 HA MET 29 HA MET 29 -5.765 -3.006 1.797 213 HB2 MET 29 1HB MET 29 -5.470 -4.919 -0.549 214 HB3 MET 29 2HB MET 29 -6.750 -3.737 -0.294 215 HG2 MET 29 1HG MET 29 -4.458 -2.172 -0.081 216 HG3 MET 29 2HG MET 29 -4.008 -3.374 -1.282 217 HE1 MET 29 3HE MET 29 -7.352 -1.419 -0.408 218 HE2 MET 29 1HE MET 29 -6.014 -0.247 -0.380 219 HE3 MET 29 2HE MET 29 -7.268 -0.140 -1.632 220 H LEU 30 H LEU 30 -4.879 -6.339 2.238 221 HA LEU 30 HA LEU 30 -7.419 -7.538 2.688 222 HB2 LEU 30 1HB LEU 30 -4.820 -8.079 4.175 223 HB3 LEU 30 2HB LEU 30 -6.190 -9.166 4.030 224 HG LEU 30 HG LEU 30 -4.367 -8.293 1.750 225 HD11 LEU 30 1HD1 LEU 30 -4.659 -10.975 3.161 226 HD12 LEU 30 2HD1 LEU 30 -3.308 -9.838 3.361 227 HD13 LEU 30 3HD1 LEU 30 -3.580 -10.615 1.793 228 HD21 LEU 30 3HD2 LEU 30 -6.606 -8.748 0.872 229 HD22 LEU 30 1HD2 LEU 30 -6.650 -10.303 1.740 230 HD23 LEU 30 2HD2 LEU 30 -5.482 -10.035 0.422 231 H VAL 31 H VAL 31 -5.557 -5.319 4.784 232 HA VAL 31 HA VAL 31 -7.006 -5.947 7.201 233 HB VAL 31 HB VAL 31 -5.960 -4.188 8.246 234 HG11 VAL 31 1HG1 VAL 31 -4.410 -5.955 7.560 235 HG12 VAL 31 2HG1 VAL 31 -3.934 -4.982 6.153 236 HG13 VAL 31 3HG1 VAL 31 -3.631 -4.380 7.787 237 HG21 VAL 31 3HG2 VAL 31 -4.693 -2.348 7.081 238 HG22 VAL 31 1HG2 VAL 31 -5.588 -2.778 5.607 239 HG23 VAL 31 2HG2 VAL 31 -6.453 -2.242 7.049 240 H HIS 32 H HIS 32 -7.797 -4.008 4.476 241 HA HIS 32 HA HIS 32 -10.048 -2.617 5.792 242 HB2 HIS 32 1HB HIS 32 -9.125 -2.540 2.903 243 HB3 HIS 32 2HB HIS 32 -10.260 -1.442 3.684 244 HD1 HIS 32 1HD HIS 32 -8.787 -0.422 6.173 245 HD2 HIS 32 2HD HIS 32 -6.953 -1.239 2.484 246 HE1 HIS 32 1HE HIS 32 -6.642 0.930 6.169 247 H GLY 33 H GLY 33 -9.621 -5.653 4.499 248 HA2 GLY 33 1HA GLY 33 -12.008 -6.090 2.970 249 HA3 GLY 33 2HA GLY 33 -10.956 -7.319 3.671 250 H ASP 34 H ASP 34 -12.648 -4.902 5.621 251 HA ASP 34 HA ASP 34 -13.846 -6.965 7.303 252 HB2 ASP 34 1HB ASP 34 -12.632 -4.932 8.114 253 HB3 ASP 34 2HB ASP 34 -13.948 -3.940 7.487 254 H LYS 35 H LYS 35 -14.927 -7.013 4.754 255 HA LYS 35 HA LYS 35 -17.495 -5.590 4.598 256 HB2 LYS 35 1HB LYS 35 -16.215 -7.672 2.776 257 HB3 LYS 35 2HB LYS 35 -17.668 -6.737 2.405 258 HG2 LYS 35 1HG LYS 35 -16.361 -4.629 2.525 259 HG3 LYS 35 2HG LYS 35 -14.886 -5.561 2.855 260 HD2 LYS 35 1HD LYS 35 -15.142 -6.744 0.688 261 HD3 LYS 35 2HD LYS 35 -16.605 -5.793 0.347 262 HE2 LYS 35 1HE LYS 35 -15.269 -3.701 0.473 263 HE3 LYS 35 2HE LYS 35 -13.814 -4.645 0.816 264 HZ1 LYS 35 3HZ LYS 35 -14.066 -5.701 -1.371 265 HZ2 LYS 35 1HZ LYS 35 -13.966 -4.082 -1.542 266 HZ3 LYS 35 2HZ LYS 35 -15.410 -4.826 -1.686 267 H TRP 36 H TRP 36 -16.561 -8.543 5.958 268 HA TRP 36 HA TRP 36 -19.036 -10.042 5.456 269 HB2 TRP 36 1HB TRP 36 -17.868 -11.799 6.775 270 HB3 TRP 36 2HB TRP 36 -17.032 -11.279 5.326 271 HD1 TRP 36 1HD TRP 36 -14.721 -10.043 5.579 272 HE1 TRP 36 1HE TRP 36 -13.011 -9.868 7.481 273 HE3 TRP 36 3HE TRP 36 -17.656 -11.670 9.457 274 HZ2 TRP 36 2HZ TRP 36 -12.914 -10.397 10.318 275 HZ3 TRP 36 3HZ TRP 36 -16.715 -11.846 11.751 276 HH2 TRP 36 2HH TRP 36 -14.351 -11.214 12.193 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 18.039 23.353 -5.168 2 H2 GLY 1 2H GLY 1 18.831 22.089 -5.840 3 H3 GLY 1 3H GLY 1 19.120 22.497 -4.280 4 HA2 GLY 1 1HA GLY 1 17.739 20.531 -4.371 5 HA3 GLY 1 2HA GLY 1 16.889 21.899 -3.629 6 H SER 2 H SER 2 15.415 19.842 -4.598 7 HA SER 2 HA SER 2 13.861 21.088 -6.781 8 HB2 SER 2 1HB SER 2 13.765 19.070 -8.112 9 HB3 SER 2 2HB SER 2 15.454 19.550 -7.911 10 HG SER 2 HG SER 2 15.217 17.319 -7.556 11 H SER 3 H SER 3 11.773 19.795 -7.156 12 HA SER 3 HA SER 3 10.388 19.441 -4.638 13 HB2 SER 3 1HB SER 3 8.447 18.951 -6.132 14 HB3 SER 3 2HB SER 3 9.260 20.488 -6.467 15 HG SER 3 HG SER 3 8.816 19.285 -8.387 16 H GLY 4 H GLY 4 12.119 17.220 -6.640 17 HA2 GLY 4 1HA GLY 4 12.572 14.976 -6.377 18 HA3 GLY 4 2HA GLY 4 11.719 15.033 -4.839 19 H SER 5 H SER 5 11.158 12.836 -5.468 20 HA SER 5 HA SER 5 8.479 12.683 -6.639 21 HB2 SER 5 1HB SER 5 10.092 12.328 -8.570 22 HB3 SER 5 2HB SER 5 10.666 10.872 -7.735 23 HG SER 5 HG SER 5 8.975 10.468 -9.281 24 H SER 6 H SER 6 7.591 10.393 -6.324 25 HA SER 6 HA SER 6 7.951 9.651 -3.543 26 HB2 SER 6 1HB SER 6 5.770 9.520 -4.760 27 HB3 SER 6 2HB SER 6 6.414 8.151 -5.690 28 HG SER 6 HG SER 6 5.635 7.066 -4.043 29 H GLY 7 H GLY 7 9.153 8.106 -2.636 30 HA2 GLY 7 1HA GLY 7 10.845 6.273 -4.230 31 HA3 GLY 7 2HA GLY 7 10.865 6.496 -2.477 32 H LEU 8 H LEU 8 7.670 6.117 -3.343 33 HA LEU 8 HA LEU 8 7.650 3.133 -3.033 34 HB2 LEU 8 1HB LEU 8 5.937 5.226 -1.622 35 HB3 LEU 8 2HB LEU 8 5.688 3.485 -1.517 36 HG LEU 8 HG LEU 8 8.243 4.870 -0.581 37 HD11 LEU 8 1HD1 LEU 8 6.311 5.682 0.700 38 HD12 LEU 8 2HD1 LEU 8 7.366 4.655 1.683 39 HD13 LEU 8 3HD1 LEU 8 5.836 4.008 1.056 40 HD21 LEU 8 3HD2 LEU 8 7.116 2.120 0.093 41 HD22 LEU 8 1HD2 LEU 8 8.654 2.808 0.642 42 HD23 LEU 8 2HD2 LEU 8 8.430 2.412 -1.068 43 H LEU 9 H LEU 9 6.708 2.296 -4.729 44 HA LEU 9 HA LEU 9 5.443 3.962 -6.731 45 HB2 LEU 9 1HB LEU 9 6.176 1.026 -6.539 46 HB3 LEU 9 2HB LEU 9 5.451 1.726 -7.976 47 HG LEU 9 HG LEU 9 8.124 2.576 -6.762 48 HD11 LEU 9 1HD1 LEU 9 8.177 0.295 -7.688 49 HD12 LEU 9 2HD1 LEU 9 9.117 1.413 -8.688 50 HD13 LEU 9 3HD1 LEU 9 7.502 0.890 -9.222 51 HD21 LEU 9 3HD2 LEU 9 7.137 4.430 -8.034 52 HD22 LEU 9 1HD2 LEU 9 6.792 3.341 -9.400 53 HD23 LEU 9 2HD2 LEU 9 8.469 3.723 -8.948 54 H TYR 10 H TYR 10 4.083 1.759 -4.378 55 HA TYR 10 HA TYR 10 1.453 1.757 -5.825 56 HB2 TYR 10 1HB TYR 10 2.558 -0.352 -3.945 57 HB3 TYR 10 2HB TYR 10 1.053 -0.419 -4.834 58 HD1 TYR 10 1HD TYR 10 4.758 -0.508 -5.171 59 HD2 TYR 10 2HD TYR 10 0.988 -1.113 -7.168 60 HE1 TYR 10 1HE TYR 10 5.948 -1.435 -7.162 61 HE2 TYR 10 2HE TYR 10 2.156 -2.063 -9.116 62 HH TYR 10 HH TYR 10 4.194 -2.557 -10.076 63 H ASP 11 H ASP 11 -0.479 2.092 -4.635 64 HA ASP 11 HA ASP 11 -0.106 3.195 -1.884 65 HB2 ASP 11 1HB ASP 11 -1.268 5.165 -2.451 66 HB3 ASP 11 2HB ASP 11 0.021 4.955 -3.625 67 H CYS 12 H CYS 12 -1.778 3.303 -0.495 68 HA CYS 12 HA CYS 12 -4.126 1.542 -0.920 69 HB2 CYS 12 1HB CYS 12 -2.834 1.336 1.138 70 HB3 CYS 12 2HB CYS 12 -3.043 3.068 1.475 71 H HIS 13 H HIS 13 -6.056 2.368 -1.551 72 HA HIS 13 HA HIS 13 -6.433 5.292 -1.672 73 HB2 HIS 13 1HB HIS 13 -8.311 4.885 -3.061 74 HB3 HIS 13 2HB HIS 13 -6.949 3.940 -3.628 75 HD1 HIS 13 1HD HIS 13 -7.520 1.453 -4.141 76 HD2 HIS 13 2HD HIS 13 -10.270 3.403 -1.628 77 HE1 HIS 13 1HE HIS 13 -9.478 -0.155 -3.835 78 H ILE 14 H ILE 14 -6.873 3.131 0.769 79 HA ILE 14 HA ILE 14 -9.468 4.252 1.725 80 HB ILE 14 HB ILE 14 -7.921 1.860 2.782 81 HG12 ILE 14 1HG1 ILE 14 -10.051 0.700 1.720 82 HG13 ILE 14 2HG1 ILE 14 -10.022 2.067 0.611 83 HG21 ILE 14 1HG2 ILE 14 -10.067 1.304 3.864 84 HG22 ILE 14 2HG2 ILE 14 -9.446 2.846 4.438 85 HG23 ILE 14 3HG2 ILE 14 -10.774 2.813 3.251 86 HD11 ILE 14 3HD1 ILE 14 -7.741 1.371 -0.113 87 HD12 ILE 14 1HD1 ILE 14 -7.758 0.087 1.115 88 HD13 ILE 14 2HD1 ILE 14 -8.895 0.037 -0.240 89 H CYS 15 H CYS 15 -6.113 3.763 2.765 90 HA CYS 15 HA CYS 15 -6.481 5.857 4.858 91 HB2 CYS 15 1HB CYS 15 -5.192 4.696 6.417 92 HB3 CYS 15 2HB CYS 15 -6.515 3.665 5.877 93 H GLU 16 H GLU 16 -5.037 5.445 2.065 94 HA GLU 16 HA GLU 16 -3.549 6.656 0.919 95 HB2 GLU 16 1HB GLU 16 -4.794 8.344 2.610 96 HB3 GLU 16 2HB GLU 16 -3.125 8.654 3.084 97 HG2 GLU 16 1HG GLU 16 -2.583 9.074 0.648 98 HG3 GLU 16 2HG GLU 16 -4.277 8.767 0.258 99 H ARG 17 H ARG 17 -2.443 4.684 3.027 100 HA ARG 17 HA ARG 17 0.390 5.415 3.235 101 HB2 ARG 17 1HB ARG 17 -1.094 2.765 3.542 102 HB3 ARG 17 2HB ARG 17 0.647 2.943 3.806 103 HG2 ARG 17 1HG ARG 17 0.284 4.560 5.605 104 HG3 ARG 17 2HG ARG 17 -1.454 4.542 5.293 105 HD2 ARG 17 1HD ARG 17 -1.407 2.040 5.770 106 HD3 ARG 17 2HD ARG 17 0.244 2.242 6.351 107 HE ARG 17 HE ARG 17 -2.275 3.207 7.584 108 HH11 ARG 17 2HH1 ARG 17 1.224 3.322 7.828 109 HH12 ARG 17 1HH1 ARG 17 1.177 3.893 9.474 110 HH21 ARG 17 2HH2 ARG 17 -2.253 3.912 9.684 111 HH22 ARG 17 1HH2 ARG 17 -0.743 4.217 10.492 112 H LYS 18 H LYS 18 2.053 4.072 2.348 113 HA LYS 18 HA LYS 18 1.619 3.249 -0.482 114 HB2 LYS 18 1HB LYS 18 3.703 5.287 0.374 115 HB3 LYS 18 2HB LYS 18 3.558 4.534 -1.223 116 HG2 LYS 18 1HG LYS 18 1.282 5.511 -1.473 117 HG3 LYS 18 2HG LYS 18 1.534 6.420 0.026 118 HD2 LYS 18 1HD LYS 18 3.312 6.591 -2.450 119 HD3 LYS 18 2HD LYS 18 2.011 7.726 -2.054 120 HE2 LYS 18 1HE LYS 18 3.158 8.347 0.045 121 HE3 LYS 18 2HE LYS 18 4.455 7.197 -0.300 122 HZ1 LYS 18 3HZ LYS 18 5.048 9.464 -0.963 123 HZ2 LYS 18 1HZ LYS 18 3.796 9.535 -2.005 124 HZ3 LYS 18 2HZ LYS 18 5.027 8.485 -2.271 125 H PHE 19 H PHE 19 3.124 1.919 -1.412 126 HA PHE 19 HA PHE 19 5.048 0.538 0.406 127 HB2 PHE 19 1HB PHE 19 3.111 -0.712 -1.548 128 HB3 PHE 19 2HB PHE 19 4.139 -1.560 -0.416 129 HD1 PHE 19 1HD PHE 19 3.672 -1.507 2.028 130 HD2 PHE 19 2HD PHE 19 1.039 0.400 -0.803 131 HE1 PHE 19 1HE PHE 19 1.983 -1.172 3.825 132 HE2 PHE 19 2HE PHE 19 -0.632 0.769 1.002 133 HZ PHE 19 HZ PHE 19 -0.145 -0.008 3.317 134 H LYS 20 H LYS 20 6.696 -0.637 -0.573 135 HA LYS 20 HA LYS 20 7.845 0.674 -2.868 136 HB2 LYS 20 1HB LYS 20 8.993 -0.293 -0.753 137 HB3 LYS 20 2HB LYS 20 8.804 -1.868 -1.491 138 HG2 LYS 20 1HG LYS 20 10.988 -1.218 -2.051 139 HG3 LYS 20 2HG LYS 20 10.047 -0.978 -3.519 140 HD2 LYS 20 1HD LYS 20 11.550 0.869 -3.320 141 HD3 LYS 20 2HD LYS 20 9.921 1.450 -3.047 142 HE2 LYS 20 1HE LYS 20 11.313 2.539 -1.456 143 HE3 LYS 20 2HE LYS 20 10.360 1.362 -0.552 144 HZ1 LYS 20 3HZ LYS 20 13.175 0.968 -1.432 145 HZ2 LYS 20 1HZ LYS 20 12.309 -0.118 -0.569 146 HZ3 LYS 20 2HZ LYS 20 12.710 1.319 0.089 147 H ASN 21 H ASN 21 6.361 -2.486 -2.386 148 HA ASN 21 HA ASN 21 6.373 -2.938 -5.345 149 HB2 ASN 21 1HB ASN 21 6.553 -5.389 -4.883 150 HB3 ASN 21 2HB ASN 21 7.999 -4.502 -4.477 151 HD21 ASN 21 1HD2 ASN 21 8.653 -4.375 -2.280 152 HD22 ASN 21 2HD2 ASN 21 7.708 -5.130 -0.979 153 H GLU 22 H GLU 22 4.681 -4.284 -6.132 154 HA GLU 22 HA GLU 22 2.124 -3.407 -5.254 155 HB2 GLU 22 1HB GLU 22 2.843 -4.114 -7.599 156 HB3 GLU 22 2HB GLU 22 2.817 -5.765 -7.055 157 HG2 GLU 22 1HG GLU 22 0.843 -5.208 -8.342 158 HG3 GLU 22 2HG GLU 22 0.426 -5.684 -6.706 159 H LEU 23 H LEU 23 3.929 -6.360 -4.603 160 HA LEU 23 HA LEU 23 1.878 -7.926 -3.380 161 HB2 LEU 23 1HB LEU 23 3.882 -8.966 -4.074 162 HB3 LEU 23 2HB LEU 23 4.913 -7.841 -3.198 163 HG LEU 23 HG LEU 23 4.075 -8.805 -1.028 164 HD11 LEU 23 1HD1 LEU 23 1.876 -9.673 -1.740 165 HD12 LEU 23 2HD1 LEU 23 2.869 -10.965 -1.064 166 HD13 LEU 23 3HD1 LEU 23 2.673 -10.834 -2.827 167 HD21 LEU 23 3HD2 LEU 23 6.141 -9.636 -2.076 168 HD22 LEU 23 1HD2 LEU 23 5.205 -10.847 -2.983 169 HD23 LEU 23 2HD2 LEU 23 5.293 -10.926 -1.208 170 H ASP 24 H ASP 24 4.247 -5.658 -1.880 171 HA ASP 24 HA ASP 24 3.309 -5.932 0.763 172 HB2 ASP 24 1HB ASP 24 5.038 -3.943 -0.671 173 HB3 ASP 24 2HB ASP 24 4.357 -3.472 0.879 174 H ARG 25 H ARG 25 2.162 -3.814 -1.789 175 HA ARG 25 HA ARG 25 0.246 -2.399 -0.084 176 HB2 ARG 25 1HB ARG 25 1.232 -1.472 -2.207 177 HB3 ARG 25 2HB ARG 25 0.305 -2.610 -3.125 178 HG2 ARG 25 1HG ARG 25 -1.194 -0.883 -1.150 179 HG3 ARG 25 2HG ARG 25 -0.488 -0.075 -2.542 180 HD2 ARG 25 1HD ARG 25 -2.407 -2.413 -2.737 181 HD3 ARG 25 2HD ARG 25 -2.856 -0.712 -2.845 182 HE ARG 25 HE ARG 25 -1.011 -2.119 -4.759 183 HH11 ARG 25 2HH1 ARG 25 -3.196 0.606 -4.356 184 HH12 ARG 25 1HH1 ARG 25 -3.507 0.688 -6.070 185 HH21 ARG 25 2HH2 ARG 25 -1.353 -1.882 -6.845 186 HH22 ARG 25 1HH2 ARG 25 -2.414 -0.625 -7.463 187 H ASP 26 H ASP 26 0.025 -5.148 -2.367 188 HA ASP 26 HA ASP 26 -2.774 -5.508 -2.120 189 HB2 ASP 26 1HB ASP 26 -0.476 -7.356 -2.867 190 HB3 ASP 26 2HB ASP 26 -2.085 -8.013 -2.643 191 H ARG 27 H ARG 27 -0.116 -7.016 -0.171 192 HA ARG 27 HA ARG 27 -1.999 -8.409 1.528 193 HB2 ARG 27 1HB ARG 27 -0.232 -8.983 2.958 194 HB3 ARG 27 2HB ARG 27 0.220 -9.264 1.279 195 HG2 ARG 27 1HG ARG 27 1.726 -7.397 1.282 196 HG3 ARG 27 2HG ARG 27 1.108 -6.774 2.796 197 HD2 ARG 27 1HD ARG 27 1.963 -8.749 3.995 198 HD3 ARG 27 2HD ARG 27 2.389 -9.532 2.463 199 HE ARG 27 HE ARG 27 3.857 -7.077 2.659 200 HH11 ARG 27 1HH1 ARG 27 3.837 -10.255 4.172 201 HH12 ARG 27 2HH1 ARG 27 5.549 -10.184 4.492 202 HH21 ARG 27 2HH2 ARG 27 5.931 -7.075 3.044 203 HH22 ARG 27 1HH2 ARG 27 6.738 -8.401 3.883 204 H HIS 28 H HIS 28 -0.867 -5.106 1.646 205 HA HIS 28 HA HIS 28 -1.996 -4.628 4.310 206 HB2 HIS 28 1HB HIS 28 -0.266 -3.158 3.551 207 HB3 HIS 28 2HB HIS 28 -1.097 -2.821 2.036 208 HD1 HIS 28 1HD HIS 28 -1.404 -1.984 5.779 209 HD2 HIS 28 2HD HIS 28 -3.020 -1.014 2.019 210 HE1 HIS 28 1HE HIS 28 -2.889 0.034 6.168 211 H MET 29 H MET 29 -3.326 -4.358 0.916 212 HA MET 29 HA MET 29 -5.730 -3.102 1.740 213 HB2 MET 29 1HB MET 29 -5.485 -5.060 -0.555 214 HB3 MET 29 2HB MET 29 -6.725 -3.841 -0.309 215 HG2 MET 29 1HG MET 29 -4.604 -2.196 -0.278 216 HG3 MET 29 2HG MET 29 -3.897 -3.528 -1.188 217 HE1 MET 29 3HE MET 29 -6.222 -0.495 -1.174 218 HE2 MET 29 1HE MET 29 -7.288 -0.756 -2.570 219 HE3 MET 29 2HE MET 29 -7.463 -1.768 -1.124 220 H LEU 30 H LEU 30 -4.787 -6.406 2.251 221 HA LEU 30 HA LEU 30 -7.287 -7.663 2.739 222 HB2 LEU 30 1HB LEU 30 -4.683 -8.043 4.268 223 HB3 LEU 30 2HB LEU 30 -6.018 -9.181 4.183 224 HG LEU 30 HG LEU 30 -4.224 -8.378 1.859 225 HD11 LEU 30 1HD1 LEU 30 -3.109 -9.784 3.554 226 HD12 LEU 30 2HD1 LEU 30 -3.354 -10.665 2.036 227 HD13 LEU 30 3HD1 LEU 30 -4.418 -10.980 3.427 228 HD21 LEU 30 3HD2 LEU 30 -5.287 -10.242 0.642 229 HD22 LEU 30 1HD2 LEU 30 -6.448 -8.964 1.016 230 HD23 LEU 30 2HD2 LEU 30 -6.439 -10.462 1.980 231 H VAL 31 H VAL 31 -5.533 -5.286 4.746 232 HA VAL 31 HA VAL 31 -7.042 -5.827 7.157 233 HB VAL 31 HB VAL 31 -6.014 -4.038 8.147 234 HG11 VAL 31 1HG1 VAL 31 -3.930 -4.897 6.143 235 HG12 VAL 31 2HG1 VAL 31 -3.676 -4.233 7.763 236 HG13 VAL 31 3HG1 VAL 31 -4.440 -5.821 7.572 237 HG21 VAL 31 3HG2 VAL 31 -4.719 -2.242 6.945 238 HG22 VAL 31 1HG2 VAL 31 -5.586 -2.727 5.474 239 HG23 VAL 31 2HG2 VAL 31 -6.478 -2.142 6.880 240 H HIS 32 H HIS 32 -7.767 -4.092 4.311 241 HA HIS 32 HA HIS 32 -10.080 -2.643 5.494 242 HB2 HIS 32 1HB HIS 32 -8.843 -2.438 2.726 243 HB3 HIS 32 2HB HIS 32 -10.073 -1.381 3.408 244 HD1 HIS 32 1HD HIS 32 -8.973 -0.327 6.014 245 HD2 HIS 32 2HD HIS 32 -6.555 -1.253 2.699 246 HE1 HIS 32 1HE HIS 32 -6.835 1.002 6.330 247 H GLY 33 H GLY 33 -9.552 -5.638 4.032 248 HA2 GLY 33 1HA GLY 33 -11.687 -5.774 2.118 249 HA3 GLY 33 2HA GLY 33 -10.820 -7.132 2.827 250 H ASP 34 H ASP 34 -13.758 -5.402 2.766 251 HA ASP 34 HA ASP 34 -14.833 -6.413 5.294 252 HB2 ASP 34 1HB ASP 34 -15.366 -4.181 4.380 253 HB3 ASP 34 2HB ASP 34 -16.134 -4.931 2.981 254 H LYS 35 H LYS 35 -15.112 -7.296 1.905 255 HA LYS 35 HA LYS 35 -16.821 -9.681 2.571 256 HB2 LYS 35 1HB LYS 35 -16.994 -7.836 0.151 257 HB3 LYS 35 2HB LYS 35 -17.941 -9.310 0.383 258 HG2 LYS 35 1HG LYS 35 -18.970 -8.355 2.424 259 HG3 LYS 35 2HG LYS 35 -18.036 -6.863 2.188 260 HD2 LYS 35 1HD LYS 35 -19.147 -6.463 0.031 261 HD3 LYS 35 2HD LYS 35 -20.043 -7.978 0.201 262 HE2 LYS 35 1HE LYS 35 -21.520 -6.197 0.830 263 HE3 LYS 35 2HE LYS 35 -21.111 -7.113 2.282 264 HZ1 LYS 35 3HZ LYS 35 -21.002 -4.708 2.651 265 HZ2 LYS 35 1HZ LYS 35 -19.857 -4.531 1.504 266 HZ3 LYS 35 2HZ LYS 35 -19.525 -5.353 2.883 267 H TRP 36 H TRP 36 -13.823 -8.844 1.394 268 HA TRP 36 HA TRP 36 -13.533 -11.266 -0.319 269 HB2 TRP 36 1HB TRP 36 -12.438 -8.486 -0.867 270 HB3 TRP 36 2HB TRP 36 -12.223 -9.916 -1.860 271 HD1 TRP 36 1HD TRP 36 -14.315 -6.940 -1.568 272 HE1 TRP 36 1HE TRP 36 -16.422 -7.066 -3.033 273 HE3 TRP 36 3HE TRP 36 -14.212 -11.937 -2.712 274 HZ2 TRP 36 2HZ TRP 36 -17.888 -9.078 -4.488 275 HZ3 TRP 36 3HZ TRP 36 -15.984 -12.929 -4.144 276 HH2 TRP 36 2HH TRP 36 -17.823 -11.516 -5.036 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 12.668 11.210 11.778 2 H2 GLY 1 2H GLY 1 13.583 9.930 12.228 3 H3 GLY 1 3H GLY 1 11.951 9.849 12.345 4 HA2 GLY 1 1HA GLY 1 12.701 8.581 10.444 5 HA3 GLY 1 2HA GLY 1 11.693 9.958 9.963 6 H SER 2 H SER 2 13.622 8.596 8.315 7 HA SER 2 HA SER 2 16.089 10.036 8.091 8 HB2 SER 2 1HB SER 2 14.605 8.411 5.993 9 HB3 SER 2 2HB SER 2 16.313 8.886 5.943 10 HG SER 2 HG SER 2 16.030 6.749 6.747 11 H SER 3 H SER 3 16.819 11.479 6.476 12 HA SER 3 HA SER 3 15.084 13.635 5.761 13 HB2 SER 3 1HB SER 3 17.831 12.934 4.662 14 HB3 SER 3 2HB SER 3 17.017 14.504 4.533 15 HG SER 3 HG SER 3 18.508 14.439 6.285 16 H GLY 4 H GLY 4 14.436 14.406 3.699 17 HA2 GLY 4 1HA GLY 4 13.623 14.270 1.529 18 HA3 GLY 4 2HA GLY 4 14.673 12.885 1.251 19 H SER 5 H SER 5 13.168 11.658 0.159 20 HA SER 5 HA SER 5 10.879 10.528 1.723 21 HB2 SER 5 1HB SER 5 10.826 11.346 -1.205 22 HB3 SER 5 2HB SER 5 9.546 10.468 -0.348 23 HG SER 5 HG SER 5 9.157 12.742 -0.455 24 H SER 6 H SER 6 10.512 8.373 1.502 25 HA SER 6 HA SER 6 12.595 6.671 0.443 26 HB2 SER 6 1HB SER 6 9.821 5.976 1.478 27 HB3 SER 6 2HB SER 6 11.147 4.831 1.197 28 HG SER 6 HG SER 6 11.023 5.502 3.398 29 H GLY 7 H GLY 7 12.435 5.057 -1.187 30 HA2 GLY 7 1HA GLY 7 10.942 5.760 -3.592 31 HA3 GLY 7 2HA GLY 7 11.976 4.346 -3.358 32 H LEU 8 H LEU 8 8.794 5.633 -3.244 33 HA LEU 8 HA LEU 8 7.584 2.950 -2.722 34 HB2 LEU 8 1HB LEU 8 6.578 5.671 -1.812 35 HB3 LEU 8 2HB LEU 8 5.762 4.127 -1.556 36 HG LEU 8 HG LEU 8 8.516 4.785 -0.405 37 HD11 LEU 8 1HD1 LEU 8 5.808 4.908 0.953 38 HD12 LEU 8 2HD1 LEU 8 6.817 6.303 0.492 39 HD13 LEU 8 3HD1 LEU 8 7.393 5.160 1.713 40 HD21 LEU 8 3HD2 LEU 8 8.002 2.350 -0.608 41 HD22 LEU 8 1HD2 LEU 8 6.520 2.615 0.337 42 HD23 LEU 8 2HD2 LEU 8 8.109 2.890 1.072 43 H LEU 9 H LEU 9 6.225 2.276 -4.158 44 HA LEU 9 HA LEU 9 5.622 3.995 -6.544 45 HB2 LEU 9 1HB LEU 9 6.268 1.046 -6.221 46 HB3 LEU 9 2HB LEU 9 5.732 1.763 -7.732 47 HG LEU 9 HG LEU 9 8.298 2.479 -6.234 48 HD11 LEU 9 1HD1 LEU 9 9.424 1.316 -8.083 49 HD12 LEU 9 2HD1 LEU 9 7.851 0.896 -8.798 50 HD13 LEU 9 3HD1 LEU 9 8.329 0.224 -7.224 51 HD21 LEU 9 3HD2 LEU 9 8.920 3.661 -8.338 52 HD22 LEU 9 1HD2 LEU 9 7.542 4.414 -7.536 53 HD23 LEU 9 2HD2 LEU 9 7.278 3.385 -8.963 54 H TYR 10 H TYR 10 4.115 1.849 -4.233 55 HA TYR 10 HA TYR 10 1.551 1.904 -5.790 56 HB2 TYR 10 1HB TYR 10 2.568 -0.245 -3.899 57 HB3 TYR 10 2HB TYR 10 1.053 -0.265 -4.760 58 HD1 TYR 10 1HD TYR 10 4.734 -0.500 -5.141 59 HD2 TYR 10 2HD TYR 10 0.929 -0.742 -7.158 60 HE1 TYR 10 1HE TYR 10 5.864 -1.422 -7.171 61 HE2 TYR 10 2HE TYR 10 2.047 -1.695 -9.163 62 HH TYR 10 HH TYR 10 4.040 -2.306 -10.124 63 H ASP 11 H ASP 11 -0.348 2.399 -4.748 64 HA ASP 11 HA ASP 11 -0.107 3.385 -1.945 65 HB2 ASP 11 1HB ASP 11 -1.324 5.323 -2.508 66 HB3 ASP 11 2HB ASP 11 0.020 5.182 -3.630 67 H CYS 12 H CYS 12 -1.746 3.289 -0.585 68 HA CYS 12 HA CYS 12 -4.004 1.461 -1.057 69 HB2 CYS 12 1HB CYS 12 -2.773 1.322 1.021 70 HB3 CYS 12 2HB CYS 12 -3.007 3.057 1.328 71 H HIS 13 H HIS 13 -5.989 2.103 -1.579 72 HA HIS 13 HA HIS 13 -6.612 4.991 -1.806 73 HB2 HIS 13 1HB HIS 13 -8.419 4.351 -3.247 74 HB3 HIS 13 2HB HIS 13 -6.902 3.660 -3.798 75 HD1 HIS 13 1HD HIS 13 -10.235 2.578 -2.193 76 HD2 HIS 13 2HD HIS 13 -6.806 1.019 -4.067 77 HE1 HIS 13 1HE HIS 13 -10.739 0.123 -2.676 78 H ILE 14 H ILE 14 -6.830 2.941 0.684 79 HA ILE 14 HA ILE 14 -9.525 3.864 1.611 80 HB ILE 14 HB ILE 14 -7.793 1.769 2.876 81 HG12 ILE 14 1HG1 ILE 14 -8.292 0.979 0.617 82 HG13 ILE 14 2HG1 ILE 14 -9.090 0.041 1.855 83 HG21 ILE 14 1HG2 ILE 14 -9.990 1.055 3.880 84 HG22 ILE 14 2HG2 ILE 14 -9.427 2.640 4.413 85 HG23 ILE 14 3HG2 ILE 14 -10.719 2.523 3.203 86 HD11 ILE 14 3HD1 ILE 14 -10.524 0.359 -0.058 87 HD12 ILE 14 1HD1 ILE 14 -11.225 1.107 1.383 88 HD13 ILE 14 2HD1 ILE 14 -10.456 2.129 0.143 89 H CYS 15 H CYS 15 -6.087 3.688 2.584 90 HA CYS 15 HA CYS 15 -6.550 5.814 4.611 91 HB2 CYS 15 1HB CYS 15 -5.240 4.738 6.204 92 HB3 CYS 15 2HB CYS 15 -6.543 3.688 5.689 93 H GLU 16 H GLU 16 -5.116 5.480 1.843 94 HA GLU 16 HA GLU 16 -3.536 6.685 0.733 95 HB2 GLU 16 1HB GLU 16 -4.085 8.360 3.180 96 HB3 GLU 16 2HB GLU 16 -2.978 8.930 1.915 97 HG2 GLU 16 1HG GLU 16 -4.778 8.648 0.226 98 HG3 GLU 16 2HG GLU 16 -5.884 8.111 1.492 99 H ARG 17 H ARG 17 -2.522 4.706 2.936 100 HA ARG 17 HA ARG 17 0.297 5.422 3.230 101 HB2 ARG 17 1HB ARG 17 -1.271 2.831 3.557 102 HB3 ARG 17 2HB ARG 17 0.485 2.902 3.752 103 HG2 ARG 17 1HG ARG 17 0.296 4.574 5.529 104 HG3 ARG 17 2HG ARG 17 -1.466 4.614 5.331 105 HD2 ARG 17 1HD ARG 17 -1.568 2.198 5.894 106 HD3 ARG 17 2HD ARG 17 0.179 2.165 6.097 107 HE ARG 17 HE ARG 17 0.019 3.195 8.154 108 HH11 ARG 17 2HH1 ARG 17 -3.230 3.451 6.720 109 HH12 ARG 17 1HH1 ARG 17 -3.880 4.001 8.234 110 HH21 ARG 17 2HH2 ARG 17 -0.948 3.910 9.989 111 HH22 ARG 17 1HH2 ARG 17 -2.650 4.260 10.005 112 H LYS 18 H LYS 18 1.999 4.048 2.398 113 HA LYS 18 HA LYS 18 1.672 3.276 -0.452 114 HB2 LYS 18 1HB LYS 18 3.591 5.449 0.459 115 HB3 LYS 18 2HB LYS 18 3.569 4.690 -1.141 116 HG2 LYS 18 1HG LYS 18 1.233 5.477 -1.474 117 HG3 LYS 18 2HG LYS 18 1.337 6.379 0.044 118 HD2 LYS 18 1HD LYS 18 3.159 6.785 -2.369 119 HD3 LYS 18 2HD LYS 18 1.738 7.769 -1.979 120 HE2 LYS 18 1HE LYS 18 2.781 8.383 0.208 121 HE3 LYS 18 2HE LYS 18 4.227 7.464 -0.234 122 HZ1 LYS 18 3HZ LYS 18 4.489 9.822 -0.750 123 HZ2 LYS 18 1HZ LYS 18 3.179 9.817 -1.720 124 HZ3 LYS 18 2HZ LYS 18 4.511 8.967 -2.141 125 H PHE 19 H PHE 19 3.257 2.042 -1.376 126 HA PHE 19 HA PHE 19 5.148 0.644 0.479 127 HB2 PHE 19 1HB PHE 19 3.163 -0.584 -1.451 128 HB3 PHE 19 2HB PHE 19 4.251 -1.472 -0.413 129 HD1 PHE 19 1HD PHE 19 3.925 -1.579 2.046 130 HD2 PHE 19 2HD PHE 19 1.140 0.484 -0.513 131 HE1 PHE 19 1HE PHE 19 2.325 -1.396 3.938 132 HE2 PHE 19 2HE PHE 19 -0.442 0.718 1.402 133 HZ PHE 19 HZ PHE 19 0.159 -0.226 3.625 134 H LYS 20 H LYS 20 6.711 -0.715 -0.503 135 HA LYS 20 HA LYS 20 8.012 0.461 -2.803 136 HB2 LYS 20 1HB LYS 20 8.632 -2.138 -1.315 137 HB3 LYS 20 2HB LYS 20 9.695 -1.320 -2.461 138 HG2 LYS 20 1HG LYS 20 9.749 0.668 -0.926 139 HG3 LYS 20 2HG LYS 20 8.794 -0.263 0.249 140 HD2 LYS 20 1HD LYS 20 10.578 -1.975 0.352 141 HD3 LYS 20 2HD LYS 20 11.534 -1.056 -0.832 142 HE2 LYS 20 1HE LYS 20 11.587 0.885 0.721 143 HE3 LYS 20 2HE LYS 20 10.643 -0.032 1.903 144 HZ1 LYS 20 3HZ LYS 20 13.020 -0.142 2.393 145 HZ2 LYS 20 1HZ LYS 20 13.351 -0.787 0.933 146 HZ3 LYS 20 2HZ LYS 20 12.479 -1.635 2.025 147 H ASN 21 H ASN 21 6.131 -2.472 -2.338 148 HA ASN 21 HA ASN 21 6.329 -3.112 -5.254 149 HB2 ASN 21 1HB ASN 21 6.039 -5.112 -2.981 150 HB3 ASN 21 2HB ASN 21 6.254 -5.473 -4.689 151 HD21 ASN 21 1HD2 ASN 21 7.805 -4.986 -1.723 152 HD22 ASN 21 2HD2 ASN 21 9.456 -5.015 -2.345 153 H GLU 22 H GLU 22 4.561 -4.217 -6.167 154 HA GLU 22 HA GLU 22 1.950 -3.238 -5.480 155 HB2 GLU 22 1HB GLU 22 2.819 -4.079 -7.758 156 HB3 GLU 22 2HB GLU 22 2.584 -5.711 -7.147 157 HG2 GLU 22 1HG GLU 22 0.172 -5.230 -6.797 158 HG3 GLU 22 2HG GLU 22 0.416 -3.567 -7.330 159 H LEU 23 H LEU 23 3.623 -6.295 -4.857 160 HA LEU 23 HA LEU 23 1.580 -7.754 -3.558 161 HB2 LEU 23 1HB LEU 23 3.612 -8.800 -4.312 162 HB3 LEU 23 2HB LEU 23 4.611 -7.736 -3.316 163 HG LEU 23 HG LEU 23 3.719 -8.790 -1.258 164 HD11 LEU 23 1HD1 LEU 23 2.470 -10.925 -1.422 165 HD12 LEU 23 2HD1 LEU 23 2.293 -10.684 -3.175 166 HD13 LEU 23 3HD1 LEU 23 1.518 -9.568 -2.026 167 HD21 LEU 23 3HD2 LEU 23 4.890 -10.933 -1.527 168 HD22 LEU 23 1HD2 LEU 23 5.787 -9.597 -2.269 169 HD23 LEU 23 2HD2 LEU 23 4.871 -10.732 -3.293 170 H ASP 24 H ASP 24 4.081 -5.591 -2.067 171 HA ASP 24 HA ASP 24 3.192 -6.047 0.603 172 HB2 ASP 24 1HB ASP 24 4.814 -3.818 -0.643 173 HB3 ASP 24 2HB ASP 24 4.468 -3.905 1.088 174 H ARG 25 H ARG 25 2.110 -3.676 -1.784 175 HA ARG 25 HA ARG 25 0.302 -2.308 0.080 176 HB2 ARG 25 1HB ARG 25 1.294 -1.327 -2.022 177 HB3 ARG 25 2HB ARG 25 0.296 -2.361 -2.969 178 HG2 ARG 25 1HG ARG 25 -0.825 -0.364 -0.914 179 HG3 ARG 25 2HG ARG 25 -0.442 0.081 -2.577 180 HD2 ARG 25 1HD ARG 25 -2.557 -1.837 -1.599 181 HD3 ARG 25 2HD ARG 25 -2.779 -0.300 -2.406 182 HE ARG 25 HE ARG 25 -1.508 -2.700 -3.632 183 HH11 ARG 25 2HH1 ARG 25 -3.030 0.384 -4.282 184 HH12 ARG 25 1HH1 ARG 25 -3.504 -0.095 -5.894 185 HH21 ARG 25 2HH2 ARG 25 -2.398 -3.352 -5.504 186 HH22 ARG 25 1HH2 ARG 25 -3.046 -2.169 -6.638 187 H ASP 26 H ASP 26 -0.085 -4.885 -2.380 188 HA ASP 26 HA ASP 26 -2.875 -5.176 -2.079 189 HB2 ASP 26 1HB ASP 26 -0.659 -6.990 -3.072 190 HB3 ASP 26 2HB ASP 26 -2.289 -7.601 -2.894 191 H ARG 27 H ARG 27 -0.249 -6.874 -0.269 192 HA ARG 27 HA ARG 27 -2.091 -8.399 1.388 193 HB2 ARG 27 1HB ARG 27 -0.300 -9.014 2.739 194 HB3 ARG 27 2HB ARG 27 0.103 -9.211 1.033 195 HG2 ARG 27 1HG ARG 27 1.565 -7.321 1.065 196 HG3 ARG 27 2HG ARG 27 0.972 -6.766 2.626 197 HD2 ARG 27 1HD ARG 27 3.127 -7.793 2.941 198 HD3 ARG 27 2HD ARG 27 1.835 -8.748 3.699 199 HE ARG 27 HE ARG 27 2.020 -10.407 1.981 200 HH11 ARG 27 1HH1 ARG 27 4.771 -8.133 1.683 201 HH12 ARG 27 2HH1 ARG 27 5.786 -9.422 1.150 202 HH21 ARG 27 2HH2 ARG 27 3.433 -11.894 1.247 203 HH22 ARG 27 1HH2 ARG 27 5.069 -11.449 0.880 204 H HIS 28 H HIS 28 -0.996 -5.095 1.614 205 HA HIS 28 HA HIS 28 -2.037 -4.719 4.338 206 HB2 HIS 28 1HB HIS 28 -0.307 -3.249 3.720 207 HB3 HIS 28 2HB HIS 28 -1.005 -2.890 2.152 208 HD1 HIS 28 1HD HIS 28 -1.542 -2.003 5.845 209 HD2 HIS 28 2HD HIS 28 -2.894 -1.046 1.978 210 HE1 HIS 28 1HE HIS 28 -3.011 0.046 6.116 211 H MET 29 H MET 29 -3.449 -4.318 1.001 212 HA MET 29 HA MET 29 -5.848 -3.110 1.865 213 HB2 MET 29 1HB MET 29 -5.630 -5.175 -0.344 214 HB3 MET 29 2HB MET 29 -6.893 -3.974 -0.141 215 HG2 MET 29 1HG MET 29 -4.004 -3.486 -0.860 216 HG3 MET 29 2HG MET 29 -5.393 -3.280 -1.896 217 HE1 MET 29 3HE MET 29 -6.993 -1.407 -1.922 218 HE2 MET 29 1HE MET 29 -7.538 -1.569 -0.237 219 HE3 MET 29 2HE MET 29 -6.996 0.009 -0.857 220 H LEU 30 H LEU 30 -4.838 -6.408 2.392 221 HA LEU 30 HA LEU 30 -7.326 -7.671 2.943 222 HB2 LEU 30 1HB LEU 30 -4.654 -8.112 4.329 223 HB3 LEU 30 2HB LEU 30 -5.998 -9.236 4.278 224 HG LEU 30 HG LEU 30 -4.314 -8.371 1.888 225 HD11 LEU 30 1HD1 LEU 30 -3.139 -9.854 3.480 226 HD12 LEU 30 2HD1 LEU 30 -3.467 -10.673 1.944 227 HD13 LEU 30 3HD1 LEU 30 -4.469 -11.028 3.371 228 HD21 LEU 30 3HD2 LEU 30 -5.458 -10.180 0.663 229 HD22 LEU 30 1HD2 LEU 30 -6.582 -8.901 1.132 230 HD23 LEU 30 2HD2 LEU 30 -6.550 -10.430 2.045 231 H VAL 31 H VAL 31 -5.501 -5.337 4.906 232 HA VAL 31 HA VAL 31 -6.933 -5.896 7.368 233 HB VAL 31 HB VAL 31 -5.863 -4.131 8.348 234 HG11 VAL 31 1HG1 VAL 31 -4.301 -5.892 7.657 235 HG12 VAL 31 2HG1 VAL 31 -3.855 -4.921 6.238 236 HG13 VAL 31 3HG1 VAL 31 -3.541 -4.305 7.867 237 HG21 VAL 31 3HG2 VAL 31 -5.542 -2.763 5.681 238 HG22 VAL 31 1HG2 VAL 31 -6.394 -2.211 7.126 239 HG23 VAL 31 2HG2 VAL 31 -4.633 -2.297 7.134 240 H HIS 32 H HIS 32 -7.658 -4.031 4.555 241 HA HIS 32 HA HIS 32 -9.986 -2.656 5.780 242 HB2 HIS 32 1HB HIS 32 -8.913 -2.535 2.939 243 HB3 HIS 32 2HB HIS 32 -10.087 -1.455 3.677 244 HD1 HIS 32 1HD HIS 32 -8.676 -0.472 6.252 245 HD2 HIS 32 2HD HIS 32 -6.812 -1.114 2.538 246 HE1 HIS 32 1HE HIS 32 -6.593 0.980 6.275 247 H GLY 33 H GLY 33 -9.251 -5.356 3.648 248 HA2 GLY 33 1HA GLY 33 -11.557 -5.617 2.160 249 HA3 GLY 33 2HA GLY 33 -10.500 -6.952 2.613 250 H ASP 34 H ASP 34 -11.429 -6.270 5.569 251 HA ASP 34 HA ASP 34 -13.700 -8.080 5.717 252 HB2 ASP 34 1HB ASP 34 -11.975 -7.828 7.487 253 HB3 ASP 34 2HB ASP 34 -12.515 -6.172 7.770 254 H LYS 35 H LYS 35 -13.363 -4.615 5.344 255 HA LYS 35 HA LYS 35 -16.320 -4.181 5.694 256 HB2 LYS 35 1HB LYS 35 -14.030 -2.213 6.088 257 HB3 LYS 35 2HB LYS 35 -15.740 -1.851 6.271 258 HG2 LYS 35 1HG LYS 35 -14.078 -3.700 8.026 259 HG3 LYS 35 2HG LYS 35 -14.697 -2.098 8.434 260 HD2 LYS 35 1HD LYS 35 -17.051 -3.028 8.100 261 HD3 LYS 35 2HD LYS 35 -16.330 -4.637 8.004 262 HE2 LYS 35 1HE LYS 35 -16.205 -2.712 10.366 263 HE3 LYS 35 2HE LYS 35 -17.187 -4.174 10.245 264 HZ1 LYS 35 3HZ LYS 35 -15.048 -5.440 10.041 265 HZ2 LYS 35 1HZ LYS 35 -15.232 -4.698 11.491 266 HZ3 LYS 35 2HZ LYS 35 -14.226 -4.068 10.370 267 H TRP 36 H TRP 36 -13.611 -3.698 3.525 268 HA TRP 36 HA TRP 36 -15.288 -2.103 1.641 269 HB2 TRP 36 1HB TRP 36 -12.284 -2.314 1.970 270 HB3 TRP 36 2HB TRP 36 -13.098 -1.418 0.698 271 HD1 TRP 36 1HD TRP 36 -12.410 -1.301 4.443 272 HE1 TRP 36 1HE TRP 36 -12.852 1.064 5.343 273 HE3 TRP 36 3HE TRP 36 -14.515 0.768 0.258 274 HZ2 TRP 36 2HZ TRP 36 -13.951 3.542 4.361 275 HZ3 TRP 36 3HZ TRP 36 -15.246 3.143 0.267 276 HH2 TRP 36 2HH TRP 36 -14.968 4.538 2.306 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 21.551 1.333 -11.771 2 H2 GLY 1 2H GLY 1 20.985 0.111 -12.700 3 H3 GLY 1 3H GLY 1 22.195 -0.167 -11.631 4 HA2 GLY 1 1HA GLY 1 20.125 -1.050 -10.777 5 HA3 GLY 1 2HA GLY 1 20.755 0.261 -9.762 6 H SER 2 H SER 2 18.039 -0.556 -9.813 7 HA SER 2 HA SER 2 16.428 1.232 -11.438 8 HB2 SER 2 1HB SER 2 15.585 -0.929 -10.664 9 HB3 SER 2 2HB SER 2 15.717 -0.399 -8.975 10 HG SER 2 HG SER 2 13.586 -0.179 -9.972 11 H SER 3 H SER 3 15.320 3.084 -10.868 12 HA SER 3 HA SER 3 16.298 4.756 -8.674 13 HB2 SER 3 1HB SER 3 14.600 6.351 -9.534 14 HB3 SER 3 2HB SER 3 15.730 5.788 -10.777 15 HG SER 3 HG SER 3 13.544 5.749 -11.505 16 H GLY 4 H GLY 4 13.870 2.331 -8.964 17 HA2 GLY 4 1HA GLY 4 12.012 3.309 -6.959 18 HA3 GLY 4 2HA GLY 4 12.075 1.695 -7.670 19 H SER 5 H SER 5 15.147 2.352 -6.404 20 HA SER 5 HA SER 5 14.894 0.357 -4.364 21 HB2 SER 5 1HB SER 5 17.256 0.896 -3.901 22 HB3 SER 5 2HB SER 5 16.939 0.678 -5.631 23 HG SER 5 HG SER 5 18.214 2.535 -5.262 24 H SER 6 H SER 6 14.860 3.897 -4.175 25 HA SER 6 HA SER 6 14.552 3.776 -1.200 26 HB2 SER 6 1HB SER 6 15.338 6.094 -1.217 27 HB3 SER 6 2HB SER 6 16.506 4.993 -1.969 28 HG SER 6 HG SER 6 16.189 6.910 -3.207 29 H GLY 7 H GLY 7 12.808 4.598 -4.084 30 HA2 GLY 7 1HA GLY 7 10.899 6.428 -2.828 31 HA3 GLY 7 2HA GLY 7 10.839 5.781 -4.461 32 H LEU 8 H LEU 8 8.532 5.988 -3.355 33 HA LEU 8 HA LEU 8 7.666 3.186 -2.792 34 HB2 LEU 8 1HB LEU 8 6.355 5.746 -1.806 35 HB3 LEU 8 2HB LEU 8 5.698 4.120 -1.627 36 HG LEU 8 HG LEU 8 8.335 5.046 -0.395 37 HD11 LEU 8 1HD1 LEU 8 6.385 6.223 0.574 38 HD12 LEU 8 2HD1 LEU 8 7.134 5.104 1.724 39 HD13 LEU 8 3HD1 LEU 8 5.619 4.654 0.918 40 HD21 LEU 8 3HD2 LEU 8 6.655 2.558 0.126 41 HD22 LEU 8 1HD2 LEU 8 8.153 3.006 0.963 42 HD23 LEU 8 2HD2 LEU 8 8.200 2.581 -0.751 43 H LEU 9 H LEU 9 6.266 2.361 -4.180 44 HA LEU 9 HA LEU 9 5.674 3.978 -6.627 45 HB2 LEU 9 1HB LEU 9 6.259 1.043 -6.109 46 HB3 LEU 9 2HB LEU 9 5.653 1.628 -7.641 47 HG LEU 9 HG LEU 9 7.975 1.186 -7.742 48 HD11 LEU 9 1HD1 LEU 9 7.554 4.196 -7.885 49 HD12 LEU 9 2HD1 LEU 9 7.063 3.025 -9.129 50 HD13 LEU 9 3HD1 LEU 9 8.780 3.251 -8.751 51 HD21 LEU 9 3HD2 LEU 9 9.725 2.307 -6.610 52 HD22 LEU 9 1HD2 LEU 9 8.620 1.690 -5.375 53 HD23 LEU 9 2HD2 LEU 9 8.615 3.422 -5.805 54 H TYR 10 H TYR 10 4.146 1.904 -4.235 55 HA TYR 10 HA TYR 10 1.565 1.964 -5.765 56 HB2 TYR 10 1HB TYR 10 2.604 -0.168 -3.866 57 HB3 TYR 10 2HB TYR 10 1.055 -0.181 -4.676 58 HD1 TYR 10 1HD TYR 10 4.714 -0.473 -5.179 59 HD2 TYR 10 2HD TYR 10 0.836 -0.678 -7.056 60 HE1 TYR 10 1HE TYR 10 5.764 -1.391 -7.252 61 HE2 TYR 10 2HE TYR 10 1.876 -1.646 -9.101 62 HH TYR 10 HH TYR 10 5.414 -2.171 -9.379 63 H ASP 11 H ASP 11 -0.343 2.401 -4.709 64 HA ASP 11 HA ASP 11 -0.141 3.369 -1.898 65 HB2 ASP 11 1HB ASP 11 -1.350 5.309 -2.412 66 HB3 ASP 11 2HB ASP 11 -0.036 5.206 -3.576 67 H CYS 12 H CYS 12 -1.754 3.093 -0.549 68 HA CYS 12 HA CYS 12 -4.015 1.310 -1.196 69 HB2 CYS 12 1HB CYS 12 -2.721 0.963 0.833 70 HB3 CYS 12 2HB CYS 12 -3.010 2.640 1.345 71 H HIS 13 H HIS 13 -5.881 2.130 -1.932 72 HA HIS 13 HA HIS 13 -6.397 4.999 -1.851 73 HB2 HIS 13 1HB HIS 13 -8.252 4.556 -3.288 74 HB3 HIS 13 2HB HIS 13 -6.811 3.746 -3.881 75 HD1 HIS 13 1HD HIS 13 -10.155 2.903 -2.118 76 HD2 HIS 13 2HD HIS 13 -7.092 1.192 -4.438 77 HE1 HIS 13 1HE HIS 13 -10.971 0.574 -2.774 78 H ILE 14 H ILE 14 -6.805 2.854 0.552 79 HA ILE 14 HA ILE 14 -9.470 3.813 1.467 80 HB ILE 14 HB ILE 14 -7.683 1.768 2.758 81 HG12 ILE 14 1HG1 ILE 14 -8.195 1.017 0.447 82 HG13 ILE 14 2HG1 ILE 14 -8.883 0.009 1.701 83 HG21 ILE 14 1HG2 ILE 14 -10.621 2.489 3.085 84 HG22 ILE 14 2HG2 ILE 14 -9.898 1.011 3.738 85 HG23 ILE 14 3HG2 ILE 14 -9.331 2.582 4.300 86 HD11 ILE 14 3HD1 ILE 14 -10.447 2.076 0.139 87 HD12 ILE 14 1HD1 ILE 14 -10.398 0.323 -0.180 88 HD13 ILE 14 2HD1 ILE 14 -11.098 0.917 1.332 89 H CYS 15 H CYS 15 -6.048 3.831 2.424 90 HA CYS 15 HA CYS 15 -6.592 5.808 4.586 91 HB2 CYS 15 1HB CYS 15 -5.203 4.608 6.088 92 HB3 CYS 15 2HB CYS 15 -6.488 3.561 5.483 93 H GLU 16 H GLU 16 -4.931 5.365 1.781 94 HA GLU 16 HA GLU 16 -3.376 6.528 0.715 95 HB2 GLU 16 1HB GLU 16 -4.607 8.324 2.264 96 HB3 GLU 16 2HB GLU 16 -2.982 8.507 2.917 97 HG2 GLU 16 1HG GLU 16 -2.156 8.854 0.529 98 HG3 GLU 16 2HG GLU 16 -3.832 8.749 -0.009 99 H ARG 17 H ARG 17 -2.515 4.601 3.121 100 HA ARG 17 HA ARG 17 0.328 5.178 3.364 101 HB2 ARG 17 1HB ARG 17 -1.282 2.624 3.752 102 HB3 ARG 17 2HB ARG 17 0.478 2.681 3.927 103 HG2 ARG 17 1HG ARG 17 0.287 4.457 5.646 104 HG3 ARG 17 2HG ARG 17 -1.474 4.392 5.485 105 HD2 ARG 17 1HD ARG 17 -1.325 1.921 6.073 106 HD3 ARG 17 2HD ARG 17 0.396 2.173 6.417 107 HE ARG 17 HE ARG 17 -1.317 4.040 7.851 108 HH11 ARG 17 2HH1 ARG 17 -0.055 0.778 8.075 109 HH12 ARG 17 1HH1 ARG 17 -0.276 0.716 9.802 110 HH21 ARG 17 2HH2 ARG 17 -1.550 3.899 10.053 111 HH22 ARG 17 1HH2 ARG 17 -1.099 2.441 10.886 112 H LYS 18 H LYS 18 2.007 3.969 2.492 113 HA LYS 18 HA LYS 18 1.636 3.151 -0.355 114 HB2 LYS 18 1HB LYS 18 3.342 5.468 0.590 115 HB3 LYS 18 2HB LYS 18 3.533 4.693 -0.991 116 HG2 LYS 18 1HG LYS 18 1.359 5.266 -1.714 117 HG3 LYS 18 2HG LYS 18 0.870 5.872 -0.135 118 HD2 LYS 18 1HD LYS 18 3.106 7.081 -1.801 119 HD3 LYS 18 2HD LYS 18 1.439 7.653 -1.846 120 HE2 LYS 18 1HE LYS 18 3.081 7.497 0.718 121 HE3 LYS 18 2HE LYS 18 3.055 8.925 -0.320 122 HZ1 LYS 18 3HZ LYS 18 1.428 9.112 1.472 123 HZ2 LYS 18 1HZ LYS 18 0.632 7.770 0.992 124 HZ3 LYS 18 2HZ LYS 18 0.663 9.096 0.036 125 H PHE 19 H PHE 19 3.257 2.070 -1.356 126 HA PHE 19 HA PHE 19 5.197 0.650 0.439 127 HB2 PHE 19 1HB PHE 19 3.196 -0.620 -1.441 128 HB3 PHE 19 2HB PHE 19 4.311 -1.476 -0.406 129 HD1 PHE 19 1HD PHE 19 4.015 -1.553 2.064 130 HD2 PHE 19 2HD PHE 19 1.167 0.439 -0.482 131 HE1 PHE 19 1HE PHE 19 2.428 -1.395 3.966 132 HE2 PHE 19 2HE PHE 19 -0.402 0.649 1.443 133 HZ PHE 19 HZ PHE 19 0.233 -0.273 3.665 134 H LYS 20 H LYS 20 6.652 -0.801 -0.622 135 HA LYS 20 HA LYS 20 8.018 0.511 -2.819 136 HB2 LYS 20 1HB LYS 20 8.644 -2.134 -1.402 137 HB3 LYS 20 2HB LYS 20 9.680 -1.309 -2.548 138 HG2 LYS 20 1HG LYS 20 10.628 -0.734 -0.556 139 HG3 LYS 20 2HG LYS 20 9.695 0.689 -0.982 140 HD2 LYS 20 1HD LYS 20 9.592 0.198 1.426 141 HD3 LYS 20 2HD LYS 20 8.005 0.136 0.706 142 HE2 LYS 20 1HE LYS 20 8.182 -1.676 2.268 143 HE3 LYS 20 2HE LYS 20 8.141 -2.380 0.654 144 HZ1 LYS 20 3HZ LYS 20 10.578 -2.624 0.788 145 HZ2 LYS 20 1HZ LYS 20 9.855 -3.397 2.027 146 HZ3 LYS 20 2HZ LYS 20 10.594 -1.966 2.285 147 H ASN 21 H ASN 21 6.310 -2.558 -2.466 148 HA ASN 21 HA ASN 21 6.250 -2.876 -5.439 149 HB2 ASN 21 1HB ASN 21 6.324 -5.364 -5.042 150 HB3 ASN 21 2HB ASN 21 7.818 -4.532 -4.691 151 HD21 ASN 21 1HD2 ASN 21 8.615 -4.532 -2.558 152 HD22 ASN 21 2HD2 ASN 21 7.684 -5.191 -1.199 153 H GLU 22 H GLU 22 4.499 -4.152 -6.230 154 HA GLU 22 HA GLU 22 1.968 -3.197 -5.365 155 HB2 GLU 22 1HB GLU 22 2.704 -4.016 -7.692 156 HB3 GLU 22 2HB GLU 22 2.480 -5.655 -7.094 157 HG2 GLU 22 1HG GLU 22 0.097 -5.167 -6.635 158 HG3 GLU 22 2HG GLU 22 0.327 -3.487 -7.119 159 H LEU 23 H LEU 23 3.646 -6.253 -4.804 160 HA LEU 23 HA LEU 23 1.608 -7.752 -3.539 161 HB2 LEU 23 1HB LEU 23 3.599 -8.790 -4.335 162 HB3 LEU 23 2HB LEU 23 4.648 -7.750 -3.379 163 HG LEU 23 HG LEU 23 3.795 -8.837 -1.285 164 HD11 LEU 23 1HD1 LEU 23 2.310 -10.683 -3.209 165 HD12 LEU 23 2HD1 LEU 23 1.564 -9.579 -2.032 166 HD13 LEU 23 3HD1 LEU 23 2.515 -10.953 -1.463 167 HD21 LEU 23 3HD2 LEU 23 4.841 -10.782 -3.383 168 HD22 LEU 23 1HD2 LEU 23 4.938 -10.982 -1.619 169 HD23 LEU 23 2HD2 LEU 23 5.824 -9.668 -2.406 170 H ASP 24 H ASP 24 4.099 -5.645 -1.988 171 HA ASP 24 HA ASP 24 3.231 -6.012 0.664 172 HB2 ASP 24 1HB ASP 24 4.850 -3.882 -0.718 173 HB3 ASP 24 2HB ASP 24 4.340 -3.649 0.948 174 H ARG 25 H ARG 25 2.089 -3.707 -1.731 175 HA ARG 25 HA ARG 25 0.279 -2.313 0.118 176 HB2 ARG 25 1HB ARG 25 1.308 -1.336 -1.968 177 HB3 ARG 25 2HB ARG 25 0.318 -2.360 -2.933 178 HG2 ARG 25 1HG ARG 25 -0.821 -0.349 -0.905 179 HG3 ARG 25 2HG ARG 25 -0.404 0.086 -2.562 180 HD2 ARG 25 1HD ARG 25 -2.557 -1.802 -1.617 181 HD3 ARG 25 2HD ARG 25 -2.753 -0.275 -2.440 182 HE ARG 25 HE ARG 25 -1.484 -2.693 -3.633 183 HH11 ARG 25 2HH1 ARG 25 -3.002 0.392 -4.318 184 HH12 ARG 25 1HH1 ARG 25 -3.451 -0.099 -5.932 185 HH21 ARG 25 2HH2 ARG 25 -2.339 -3.344 -5.519 186 HH22 ARG 25 1HH2 ARG 25 -2.976 -2.165 -6.662 187 H ASP 26 H ASP 26 -0.087 -4.878 -2.338 188 HA ASP 26 HA ASP 26 -2.890 -5.154 -2.102 189 HB2 ASP 26 1HB ASP 26 -0.657 -6.966 -3.061 190 HB3 ASP 26 2HB ASP 26 -2.284 -7.585 -2.904 191 H ARG 27 H ARG 27 -0.279 -6.885 -0.281 192 HA ARG 27 HA ARG 27 -2.205 -8.361 1.319 193 HB2 ARG 27 1HB ARG 27 -0.435 -9.099 2.685 194 HB3 ARG 27 2HB ARG 27 -0.012 -9.274 0.985 195 HG2 ARG 27 1HG ARG 27 1.537 -7.447 1.091 196 HG3 ARG 27 2HG ARG 27 0.963 -6.922 2.663 197 HD2 ARG 27 1HD ARG 27 1.773 -9.002 3.688 198 HD3 ARG 27 2HD ARG 27 2.226 -9.650 2.101 199 HE ARG 27 HE ARG 27 3.769 -7.403 2.197 200 HH11 ARG 27 2HH1 ARG 27 3.425 -10.005 4.540 201 HH12 ARG 27 1HH1 ARG 27 5.072 -9.826 5.073 202 HH21 ARG 27 2HH2 ARG 27 5.769 -7.275 2.856 203 HH22 ARG 27 1HH2 ARG 27 6.395 -8.292 4.153 204 H HIS 28 H HIS 28 -0.942 -5.131 1.652 205 HA HIS 28 HA HIS 28 -2.017 -4.768 4.363 206 HB2 HIS 28 1HB HIS 28 -0.261 -3.302 3.757 207 HB3 HIS 28 2HB HIS 28 -0.973 -2.915 2.197 208 HD1 HIS 28 1HD HIS 28 -1.526 -2.106 5.922 209 HD2 HIS 28 2HD HIS 28 -2.866 -1.086 2.070 210 HE1 HIS 28 1HE HIS 28 -3.051 -0.100 6.230 211 H MET 29 H MET 29 -3.378 -4.259 1.020 212 HA MET 29 HA MET 29 -5.749 -3.016 1.885 213 HB2 MET 29 1HB MET 29 -5.492 -4.945 -0.453 214 HB3 MET 29 2HB MET 29 -6.779 -3.775 -0.176 215 HG2 MET 29 1HG MET 29 -4.568 -2.141 -0.027 216 HG3 MET 29 2HG MET 29 -4.025 -3.372 -1.161 217 HE1 MET 29 3HE MET 29 -7.478 -1.534 -0.465 218 HE2 MET 29 1HE MET 29 -6.197 -0.299 -0.472 219 HE3 MET 29 2HE MET 29 -7.423 -0.320 -1.753 220 H LEU 30 H LEU 30 -4.876 -6.352 2.332 221 HA LEU 30 HA LEU 30 -7.417 -7.532 2.835 222 HB2 LEU 30 1HB LEU 30 -4.783 -8.076 4.256 223 HB3 LEU 30 2HB LEU 30 -6.164 -9.153 4.174 224 HG LEU 30 HG LEU 30 -4.419 -8.326 1.815 225 HD11 LEU 30 1HD1 LEU 30 -4.667 -10.984 3.280 226 HD12 LEU 30 2HD1 LEU 30 -3.306 -9.849 3.408 227 HD13 LEU 30 3HD1 LEU 30 -3.641 -10.650 1.865 228 HD21 LEU 30 3HD2 LEU 30 -6.694 -8.784 1.032 229 HD22 LEU 30 1HD2 LEU 30 -6.716 -10.320 1.933 230 HD23 LEU 30 2HD2 LEU 30 -5.601 -10.091 0.564 231 H VAL 31 H VAL 31 -5.522 -5.295 4.871 232 HA VAL 31 HA VAL 31 -6.976 -5.854 7.307 233 HB VAL 31 HB VAL 31 -5.909 -4.093 8.309 234 HG11 VAL 31 1HG1 VAL 31 -3.583 -4.306 7.863 235 HG12 VAL 31 2HG1 VAL 31 -4.371 -5.881 7.666 236 HG13 VAL 31 3HG1 VAL 31 -3.885 -4.941 6.241 237 HG21 VAL 31 3HG2 VAL 31 -5.524 -2.732 5.650 238 HG22 VAL 31 1HG2 VAL 31 -6.386 -2.168 7.082 239 HG23 VAL 31 2HG2 VAL 31 -4.629 -2.284 7.116 240 H HIS 32 H HIS 32 -7.747 -4.023 4.523 241 HA HIS 32 HA HIS 32 -10.123 -2.731 5.770 242 HB2 HIS 32 1HB HIS 32 -9.057 -2.359 2.963 243 HB3 HIS 32 2HB HIS 32 -10.188 -1.334 3.834 244 HD1 HIS 32 1HD HIS 32 -8.766 -0.342 6.311 245 HD2 HIS 32 2HD HIS 32 -6.839 -1.206 2.683 246 HE1 HIS 32 1HE HIS 32 -6.609 1.006 6.347 247 H GLY 33 H GLY 33 -9.512 -5.668 4.598 248 HA2 GLY 33 1HA GLY 33 -11.240 -6.120 2.403 249 HA3 GLY 33 2HA GLY 33 -10.559 -7.342 3.464 250 H ASP 34 H ASP 34 -12.647 -8.282 2.723 251 HA ASP 34 HA ASP 34 -15.167 -7.245 3.602 252 HB2 ASP 34 1HB ASP 34 -14.639 -8.458 1.476 253 HB3 ASP 34 2HB ASP 34 -14.476 -9.941 2.419 254 H LYS 35 H LYS 35 -13.674 -7.606 5.874 255 HA LYS 35 HA LYS 35 -14.176 -9.992 7.383 256 HB2 LYS 35 1HB LYS 35 -12.371 -8.358 7.839 257 HB3 LYS 35 2HB LYS 35 -13.566 -7.125 8.235 258 HG2 LYS 35 1HG LYS 35 -12.567 -8.000 10.253 259 HG3 LYS 35 2HG LYS 35 -14.277 -8.411 10.214 260 HD2 LYS 35 1HD LYS 35 -13.707 -10.725 9.487 261 HD3 LYS 35 2HD LYS 35 -11.982 -10.295 9.521 262 HE2 LYS 35 1HE LYS 35 -12.178 -9.747 11.939 263 HE3 LYS 35 2HE LYS 35 -13.901 -10.146 11.895 264 HZ1 LYS 35 3HZ LYS 35 -13.288 -12.436 11.319 265 HZ2 LYS 35 1HZ LYS 35 -12.582 -12.009 12.725 266 HZ3 LYS 35 2HZ LYS 35 -11.696 -12.068 11.358 267 H TRP 36 H TRP 36 -16.161 -7.145 6.876 268 HA TRP 36 HA TRP 36 -18.206 -8.106 8.828 269 HB2 TRP 36 1HB TRP 36 -17.462 -5.240 8.198 270 HB3 TRP 36 2HB TRP 36 -18.664 -5.791 9.350 271 HD1 TRP 36 1HD TRP 36 -15.285 -4.578 9.232 272 HE1 TRP 36 1HE TRP 36 -13.942 -5.093 11.364 273 HE3 TRP 36 3HE TRP 36 -18.349 -8.141 11.271 274 HZ2 TRP 36 2HZ TRP 36 -14.153 -6.859 13.633 275 HZ3 TRP 36 3HZ TRP 36 -17.738 -9.240 13.413 276 HH2 TRP 36 2HH TRP 36 -15.648 -8.611 14.602 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 22.036 9.796 5.774 2 H2 GLY 1 2H GLY 1 23.339 10.674 5.308 3 H3 GLY 1 3H GLY 1 23.081 9.186 4.669 4 HA2 GLY 1 1HA GLY 1 21.350 11.539 4.267 5 HA3 GLY 1 2HA GLY 1 22.495 10.897 3.074 6 H SER 2 H SER 2 19.430 11.175 3.219 7 HA SER 2 HA SER 2 18.399 8.464 3.266 8 HB2 SER 2 1HB SER 2 17.054 11.040 2.380 9 HB3 SER 2 2HB SER 2 16.255 9.513 2.801 10 HG SER 2 HG SER 2 16.259 11.001 4.554 11 H SER 3 H SER 3 19.917 10.177 0.733 12 HA SER 3 HA SER 3 18.347 9.481 -1.512 13 HB2 SER 3 1HB SER 3 21.353 9.926 -1.393 14 HB3 SER 3 2HB SER 3 20.326 10.030 -2.836 15 HG SER 3 HG SER 3 20.725 12.096 -1.910 16 H GLY 4 H GLY 4 18.398 7.861 -3.026 17 HA2 GLY 4 1HA GLY 4 20.296 5.809 -3.370 18 HA3 GLY 4 2HA GLY 4 19.084 5.199 -2.240 19 H SER 5 H SER 5 19.246 3.775 -4.417 20 HA SER 5 HA SER 5 17.625 4.685 -6.645 21 HB2 SER 5 1HB SER 5 18.586 1.885 -5.955 22 HB3 SER 5 2HB SER 5 17.973 2.437 -7.525 23 HG SER 5 HG SER 5 20.271 2.438 -7.442 24 H SER 6 H SER 6 16.739 3.316 -3.617 25 HA SER 6 HA SER 6 14.294 1.978 -4.529 26 HB2 SER 6 1HB SER 6 13.980 1.543 -2.102 27 HB3 SER 6 2HB SER 6 15.523 0.959 -2.744 28 HG SER 6 HG SER 6 15.787 2.065 -0.745 29 H GLY 7 H GLY 7 12.180 2.468 -3.604 30 HA2 GLY 7 1HA GLY 7 11.505 4.939 -2.342 31 HA3 GLY 7 2HA GLY 7 11.256 5.088 -4.086 32 H LEU 8 H LEU 8 9.114 5.468 -2.662 33 HA LEU 8 HA LEU 8 7.515 2.966 -2.526 34 HB2 LEU 8 1HB LEU 8 6.759 5.805 -1.760 35 HB3 LEU 8 2HB LEU 8 5.784 4.355 -1.519 36 HG LEU 8 HG LEU 8 8.459 4.944 -0.169 37 HD11 LEU 8 1HD1 LEU 8 7.139 5.187 1.865 38 HD12 LEU 8 2HD1 LEU 8 5.641 4.853 0.975 39 HD13 LEU 8 3HD1 LEU 8 6.572 6.332 0.637 40 HD21 LEU 8 3HD2 LEU 8 6.518 2.633 0.246 41 HD22 LEU 8 1HD2 LEU 8 7.955 2.969 1.232 42 HD23 LEU 8 2HD2 LEU 8 8.144 2.509 -0.463 43 H LEU 9 H LEU 9 6.072 2.431 -3.959 44 HA LEU 9 HA LEU 9 5.668 4.155 -6.389 45 HB2 LEU 9 1HB LEU 9 6.373 1.211 -6.104 46 HB3 LEU 9 2HB LEU 9 5.850 1.935 -7.614 47 HG LEU 9 HG LEU 9 8.367 2.708 -6.063 48 HD11 LEU 9 1HD1 LEU 9 8.482 0.453 -7.049 49 HD12 LEU 9 2HD1 LEU 9 9.562 1.577 -7.888 50 HD13 LEU 9 3HD1 LEU 9 8.015 1.111 -8.634 51 HD21 LEU 9 3HD2 LEU 9 7.384 3.574 -8.821 52 HD22 LEU 9 1HD2 LEU 9 8.998 3.906 -8.154 53 HD23 LEU 9 2HD2 LEU 9 7.575 4.617 -7.392 54 H TYR 10 H TYR 10 4.150 1.928 -4.160 55 HA TYR 10 HA TYR 10 1.619 1.951 -5.771 56 HB2 TYR 10 1HB TYR 10 2.658 -0.191 -3.881 57 HB3 TYR 10 2HB TYR 10 1.138 -0.231 -4.740 58 HD1 TYR 10 1HD TYR 10 4.826 -0.377 -5.141 59 HD2 TYR 10 2HD TYR 10 1.011 -0.718 -7.124 60 HE1 TYR 10 1HE TYR 10 5.964 -1.236 -7.197 61 HE2 TYR 10 2HE TYR 10 2.136 -1.625 -9.146 62 HH TYR 10 HH TYR 10 4.137 -2.165 -10.135 63 H ASP 11 H ASP 11 -0.317 2.377 -4.755 64 HA ASP 11 HA ASP 11 -0.154 3.378 -1.950 65 HB2 ASP 11 1HB ASP 11 -1.331 5.325 -2.554 66 HB3 ASP 11 2HB ASP 11 0.028 5.164 -3.656 67 H CYS 12 H CYS 12 -1.786 3.192 -0.617 68 HA CYS 12 HA CYS 12 -4.046 1.407 -1.140 69 HB2 CYS 12 1HB CYS 12 -2.845 1.361 0.971 70 HB3 CYS 12 2HB CYS 12 -3.152 3.091 1.225 71 H HIS 13 H HIS 13 -6.058 2.003 -1.669 72 HA HIS 13 HA HIS 13 -6.728 4.873 -1.978 73 HB2 HIS 13 1HB HIS 13 -8.562 4.130 -3.373 74 HB3 HIS 13 2HB HIS 13 -7.017 3.517 -3.930 75 HD1 HIS 13 1HD HIS 13 -6.856 0.903 -4.228 76 HD2 HIS 13 2HD HIS 13 -10.263 2.280 -2.178 77 HE1 HIS 13 1HE HIS 13 -8.407 -1.107 -3.991 78 H ILE 14 H ILE 14 -6.936 2.840 0.566 79 HA ILE 14 HA ILE 14 -9.621 3.800 1.487 80 HB ILE 14 HB ILE 14 -7.855 1.741 2.775 81 HG12 ILE 14 1HG1 ILE 14 -8.466 0.878 0.572 82 HG13 ILE 14 2HG1 ILE 14 -9.231 -0.008 1.871 83 HG21 ILE 14 1HG2 ILE 14 -10.015 1.067 3.888 84 HG22 ILE 14 2HG2 ILE 14 -9.407 2.654 4.363 85 HG23 ILE 14 3HG2 ILE 14 -10.754 2.536 3.212 86 HD11 ILE 14 3HD1 ILE 14 -10.720 0.318 -0.026 87 HD12 ILE 14 1HD1 ILE 14 -11.369 1.061 1.445 88 HD13 ILE 14 2HD1 ILE 14 -10.628 2.085 0.184 89 H CYS 15 H CYS 15 -6.173 3.718 2.414 90 HA CYS 15 HA CYS 15 -6.653 5.831 4.452 91 HB2 CYS 15 1HB CYS 15 -5.446 4.709 6.095 92 HB3 CYS 15 2HB CYS 15 -6.726 3.649 5.506 93 H GLU 16 H GLU 16 -5.053 5.276 1.737 94 HA GLU 16 HA GLU 16 -3.462 6.379 0.626 95 HB2 GLU 16 1HB GLU 16 -4.722 8.197 2.130 96 HB3 GLU 16 2HB GLU 16 -3.095 8.430 2.765 97 HG2 GLU 16 1HG GLU 16 -2.298 8.711 0.358 98 HG3 GLU 16 2HG GLU 16 -3.977 8.566 -0.157 99 H ARG 17 H ARG 17 -2.568 4.558 3.060 100 HA ARG 17 HA ARG 17 0.257 5.111 3.362 101 HB2 ARG 17 1HB ARG 17 -1.600 2.823 3.897 102 HB3 ARG 17 2HB ARG 17 0.079 2.376 3.607 103 HG2 ARG 17 1HG ARG 17 0.910 3.770 5.350 104 HG3 ARG 17 2HG ARG 17 -0.661 4.552 5.600 105 HD2 ARG 17 1HD ARG 17 -0.306 1.551 5.932 106 HD3 ARG 17 2HD ARG 17 0.090 2.687 7.219 107 HE ARG 17 HE ARG 17 -2.604 2.897 5.944 108 HH11 ARG 17 2HH1 ARG 17 -0.907 1.990 8.885 109 HH12 ARG 17 1HH1 ARG 17 -2.379 2.040 9.817 110 HH21 ARG 17 2HH2 ARG 17 -4.335 2.901 7.092 111 HH22 ARG 17 1HH2 ARG 17 -4.317 2.565 8.820 112 H LYS 18 H LYS 18 2.017 3.989 2.457 113 HA LYS 18 HA LYS 18 1.640 3.137 -0.371 114 HB2 LYS 18 1HB LYS 18 3.335 5.469 0.555 115 HB3 LYS 18 2HB LYS 18 3.536 4.678 -1.016 116 HG2 LYS 18 1HG LYS 18 1.379 5.246 -1.769 117 HG3 LYS 18 2HG LYS 18 0.852 5.833 -0.194 118 HD2 LYS 18 1HD LYS 18 3.102 7.091 -1.806 119 HD3 LYS 18 2HD LYS 18 1.425 7.634 -1.885 120 HE2 LYS 18 1HE LYS 18 3.004 7.483 0.718 121 HE3 LYS 18 2HE LYS 18 2.993 8.918 -0.312 122 HZ1 LYS 18 3HZ LYS 18 0.546 7.732 0.923 123 HZ2 LYS 18 1HZ LYS 18 0.590 9.064 -0.024 124 HZ3 LYS 18 2HZ LYS 18 1.313 9.079 1.433 125 H PHE 19 H PHE 19 3.267 2.055 -1.347 126 HA PHE 19 HA PHE 19 5.191 0.638 0.468 127 HB2 PHE 19 1HB PHE 19 3.199 -0.627 -1.426 128 HB3 PHE 19 2HB PHE 19 4.311 -1.489 -0.393 129 HD1 PHE 19 1HD PHE 19 4.031 -1.537 2.087 130 HD2 PHE 19 2HD PHE 19 1.150 0.389 -0.472 131 HE1 PHE 19 1HE PHE 19 2.454 -1.364 3.996 132 HE2 PHE 19 2HE PHE 19 -0.418 0.597 1.453 133 HZ PHE 19 HZ PHE 19 0.245 -0.271 3.693 134 H LYS 20 H LYS 20 6.720 -0.731 -0.549 135 HA LYS 20 HA LYS 20 8.019 0.554 -2.792 136 HB2 LYS 20 1HB LYS 20 8.693 -1.969 -1.205 137 HB3 LYS 20 2HB LYS 20 9.748 -1.233 -2.417 138 HG2 LYS 20 1HG LYS 20 9.937 0.820 -1.079 139 HG3 LYS 20 2HG LYS 20 8.786 0.189 0.105 140 HD2 LYS 20 1HD LYS 20 11.009 -0.037 0.988 141 HD3 LYS 20 2HD LYS 20 10.338 -1.644 0.678 142 HE2 LYS 20 1HE LYS 20 11.635 -1.772 -1.444 143 HE3 LYS 20 2HE LYS 20 12.279 -0.151 -1.148 144 HZ1 LYS 20 3HZ LYS 20 12.732 -2.513 0.604 145 HZ2 LYS 20 1HZ LYS 20 13.337 -1.020 0.873 146 HZ3 LYS 20 2HZ LYS 20 13.832 -1.881 -0.422 147 H ASN 21 H ASN 21 6.202 -2.463 -2.471 148 HA ASN 21 HA ASN 21 6.294 -2.796 -5.429 149 HB2 ASN 21 1HB ASN 21 6.375 -5.292 -5.067 150 HB3 ASN 21 2HB ASN 21 7.860 -4.457 -4.689 151 HD21 ASN 21 1HD2 ASN 21 8.634 -4.475 -2.547 152 HD22 ASN 21 2HD2 ASN 21 7.703 -5.185 -1.216 153 H GLU 22 H GLU 22 4.571 -4.072 -6.270 154 HA GLU 22 HA GLU 22 2.017 -3.162 -5.449 155 HB2 GLU 22 1HB GLU 22 2.828 -3.974 -7.761 156 HB3 GLU 22 2HB GLU 22 2.580 -5.612 -7.171 157 HG2 GLU 22 1HG GLU 22 0.187 -5.111 -6.778 158 HG3 GLU 22 2HG GLU 22 0.440 -3.435 -7.259 159 H LEU 23 H LEU 23 3.710 -6.209 -4.856 160 HA LEU 23 HA LEU 23 1.652 -7.715 -3.626 161 HB2 LEU 23 1HB LEU 23 3.639 -8.775 -4.362 162 HB3 LEU 23 2HB LEU 23 4.687 -7.709 -3.430 163 HG LEU 23 HG LEU 23 3.818 -8.736 -1.308 164 HD11 LEU 23 1HD1 LEU 23 1.591 -9.496 -2.037 165 HD12 LEU 23 2HD1 LEU 23 2.538 -10.852 -1.427 166 HD13 LEU 23 3HD1 LEU 23 2.337 -10.635 -3.181 167 HD21 LEU 23 3HD2 LEU 23 4.874 -10.744 -3.339 168 HD22 LEU 23 1HD2 LEU 23 4.961 -10.889 -1.568 169 HD23 LEU 23 2HD2 LEU 23 5.853 -9.600 -2.392 170 H ASP 24 H ASP 24 4.131 -5.634 -2.023 171 HA ASP 24 HA ASP 24 3.199 -6.020 0.604 172 HB2 ASP 24 1HB ASP 24 4.898 -3.900 -0.692 173 HB3 ASP 24 2HB ASP 24 4.389 -3.733 0.983 174 H ARG 25 H ARG 25 2.080 -3.746 -1.807 175 HA ARG 25 HA ARG 25 0.263 -2.336 0.040 176 HB2 ARG 25 1HB ARG 25 1.321 -1.327 -2.010 177 HB3 ARG 25 2HB ARG 25 0.350 -2.341 -3.007 178 HG2 ARG 25 1HG ARG 25 -0.837 -0.382 -0.953 179 HG3 ARG 25 2HG ARG 25 -0.383 0.103 -2.586 180 HD2 ARG 25 1HD ARG 25 -2.559 -1.817 -1.759 181 HD3 ARG 25 2HD ARG 25 -2.724 -0.261 -2.545 182 HE ARG 25 HE ARG 25 -1.432 -2.663 -3.750 183 HH11 ARG 25 2HH1 ARG 25 -2.911 0.446 -4.424 184 HH12 ARG 25 1HH1 ARG 25 -3.280 -0.003 -6.072 185 HH21 ARG 25 2HH2 ARG 25 -2.212 -3.268 -5.674 186 HH22 ARG 25 1HH2 ARG 25 -2.788 -2.065 -6.822 187 H ASP 26 H ASP 26 -0.062 -4.883 -2.445 188 HA ASP 26 HA ASP 26 -2.882 -5.128 -2.280 189 HB2 ASP 26 1HB ASP 26 -0.652 -6.961 -3.205 190 HB3 ASP 26 2HB ASP 26 -2.301 -7.542 -3.104 191 H ARG 27 H ARG 27 -0.324 -6.844 -0.400 192 HA ARG 27 HA ARG 27 -2.269 -8.309 1.193 193 HB2 ARG 27 1HB ARG 27 -0.477 -9.023 2.565 194 HB3 ARG 27 2HB ARG 27 -0.025 -9.172 0.865 195 HG2 ARG 27 1HG ARG 27 1.363 -7.171 1.014 196 HG3 ARG 27 2HG ARG 27 0.823 -6.837 2.638 197 HD2 ARG 27 1HD ARG 27 1.830 -9.078 3.334 198 HD3 ARG 27 2HD ARG 27 2.458 -9.233 1.693 199 HE ARG 27 HE ARG 27 4.016 -7.471 2.080 200 HH11 ARG 27 2HH1 ARG 27 2.143 -7.959 5.026 201 HH12 ARG 27 1HH1 ARG 27 3.282 -7.029 5.961 202 HH21 ARG 27 2HH2 ARG 27 5.302 -6.365 3.232 203 HH22 ARG 27 1HH2 ARG 27 5.086 -6.132 4.971 204 H HIS 28 H HIS 28 -1.013 -5.049 1.504 205 HA HIS 28 HA HIS 28 -2.014 -4.666 4.222 206 HB2 HIS 28 1HB HIS 28 -0.332 -3.174 3.538 207 HB3 HIS 28 2HB HIS 28 -1.092 -2.831 1.994 208 HD1 HIS 28 1HD HIS 28 -1.559 -1.967 5.710 209 HD2 HIS 28 2HD HIS 28 -2.989 -1.006 1.874 210 HE1 HIS 28 1HE HIS 28 -3.073 0.042 6.022 211 H MET 29 H MET 29 -3.563 -4.308 0.951 212 HA MET 29 HA MET 29 -5.926 -3.111 1.882 213 HB2 MET 29 1HB MET 29 -5.841 -5.226 -0.294 214 HB3 MET 29 2HB MET 29 -7.025 -3.942 -0.088 215 HG2 MET 29 1HG MET 29 -4.146 -3.703 -0.950 216 HG3 MET 29 2HG MET 29 -5.574 -3.317 -1.880 217 HE1 MET 29 3HE MET 29 -7.374 -1.447 -0.020 218 HE2 MET 29 1HE MET 29 -6.707 0.114 -0.553 219 HE3 MET 29 2HE MET 29 -6.941 -1.199 -1.726 220 H LEU 30 H LEU 30 -4.896 -6.380 2.468 221 HA LEU 30 HA LEU 30 -7.383 -7.615 3.142 222 HB2 LEU 30 1HB LEU 30 -4.638 -8.090 4.366 223 HB3 LEU 30 2HB LEU 30 -5.998 -9.192 4.396 224 HG LEU 30 HG LEU 30 -4.460 -8.360 1.895 225 HD11 LEU 30 1HD1 LEU 30 -4.514 -10.998 3.414 226 HD12 LEU 30 2HD1 LEU 30 -3.180 -9.824 3.418 227 HD13 LEU 30 3HD1 LEU 30 -3.613 -10.659 1.918 228 HD21 LEU 30 3HD2 LEU 30 -6.776 -8.894 1.306 229 HD22 LEU 30 1HD2 LEU 30 -6.678 -10.417 2.224 230 HD23 LEU 30 2HD2 LEU 30 -5.683 -10.174 0.768 231 H VAL 31 H VAL 31 -5.427 -5.278 4.959 232 HA VAL 31 HA VAL 31 -6.687 -5.812 7.519 233 HB VAL 31 HB VAL 31 -5.599 -4.015 8.414 234 HG11 VAL 31 1HG1 VAL 31 -4.045 -5.758 7.652 235 HG12 VAL 31 2HG1 VAL 31 -3.705 -4.799 6.195 236 HG13 VAL 31 3HG1 VAL 31 -3.303 -4.153 7.792 237 HG21 VAL 31 3HG2 VAL 31 -6.240 -2.124 7.181 238 HG22 VAL 31 1HG2 VAL 31 -4.479 -2.171 7.129 239 HG23 VAL 31 2HG2 VAL 31 -5.425 -2.676 5.714 240 H HIS 32 H HIS 32 -7.617 -3.980 4.739 241 HA HIS 32 HA HIS 32 -9.854 -2.603 6.103 242 HB2 HIS 32 1HB HIS 32 -9.067 -2.619 3.165 243 HB3 HIS 32 2HB HIS 32 -10.211 -1.536 3.954 244 HD1 HIS 32 1HD HIS 32 -8.629 -0.422 6.361 245 HD2 HIS 32 2HD HIS 32 -6.995 -1.179 2.560 246 HE1 HIS 32 1HE HIS 32 -6.560 1.032 6.206 247 H GLY 33 H GLY 33 -9.343 -5.133 3.615 248 HA2 GLY 33 1HA GLY 33 -10.640 -6.917 2.946 249 HA3 GLY 33 2HA GLY 33 -11.157 -6.947 4.626 250 H ASP 34 H ASP 34 -13.271 -7.261 4.649 251 HA ASP 34 HA ASP 34 -15.078 -6.024 2.668 252 HB2 ASP 34 1HB ASP 34 -15.047 -8.498 3.225 253 HB3 ASP 34 2HB ASP 34 -15.721 -8.080 4.796 254 H LYS 35 H LYS 35 -13.786 -4.528 4.945 255 HA LYS 35 HA LYS 35 -14.050 -2.846 6.240 256 HB2 LYS 35 1HB LYS 35 -15.477 -2.245 4.192 257 HB3 LYS 35 2HB LYS 35 -16.878 -2.541 5.224 258 HG2 LYS 35 1HG LYS 35 -16.477 -0.234 5.271 259 HG3 LYS 35 2HG LYS 35 -15.932 -0.859 6.833 260 HD2 LYS 35 1HD LYS 35 -13.575 -0.708 6.086 261 HD3 LYS 35 2HD LYS 35 -14.117 -0.149 4.485 262 HE2 LYS 35 1HE LYS 35 -15.202 1.817 5.554 263 HE3 LYS 35 2HE LYS 35 -14.672 1.254 7.143 264 HZ1 LYS 35 3HZ LYS 35 -12.367 1.523 6.398 265 HZ2 LYS 35 1HZ LYS 35 -13.169 2.936 6.253 266 HZ3 LYS 35 2HZ LYS 35 -12.861 2.043 4.923 267 H TRP 36 H TRP 36 -16.578 -5.212 6.857 268 HA TRP 36 HA TRP 36 -17.051 -4.205 9.581 269 HB2 TRP 36 1HB TRP 36 -18.439 -6.143 9.900 270 HB3 TRP 36 2HB TRP 36 -18.862 -5.297 8.423 271 HD1 TRP 36 1HD TRP 36 -18.328 -6.502 6.119 272 HE1 TRP 36 1HE TRP 36 -18.040 -8.941 5.445 273 HE3 TRP 36 3HE TRP 36 -17.508 -8.486 10.768 274 HZ2 TRP 36 2HZ TRP 36 -17.549 -11.478 6.782 275 HZ3 TRP 36 3HZ TRP 36 -17.132 -10.928 11.038 276 HH2 TRP 36 2HH TRP 36 -17.146 -12.431 9.058 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 11.078 12.290 -6.428 2 H2 GLY 1 2H GLY 1 10.265 11.730 -5.118 3 H3 GLY 1 3H GLY 1 11.540 12.746 -4.924 4 HA2 GLY 1 1HA GLY 1 8.984 13.445 -6.235 5 HA3 GLY 1 2HA GLY 1 9.445 13.923 -4.592 6 H SER 2 H SER 2 9.883 16.091 -4.642 7 HA SER 2 HA SER 2 11.068 17.520 -6.829 8 HB2 SER 2 1HB SER 2 11.082 18.213 -3.865 9 HB3 SER 2 2HB SER 2 11.357 19.329 -5.217 10 HG SER 2 HG SER 2 9.187 19.409 -4.457 11 H SER 3 H SER 3 12.476 15.609 -4.277 12 HA SER 3 HA SER 3 15.153 15.854 -5.517 13 HB2 SER 3 1HB SER 3 16.224 15.778 -3.308 14 HB3 SER 3 2HB SER 3 15.238 17.235 -3.503 15 HG SER 3 HG SER 3 14.902 16.233 -1.463 16 H GLY 4 H GLY 4 16.552 13.980 -4.857 17 HA2 GLY 4 1HA GLY 4 16.965 11.735 -4.478 18 HA3 GLY 4 2HA GLY 4 15.293 11.480 -3.998 19 H SER 5 H SER 5 16.865 9.745 -5.596 20 HA SER 5 HA SER 5 15.865 9.969 -8.378 21 HB2 SER 5 1HB SER 5 17.603 8.280 -8.849 22 HB3 SER 5 2HB SER 5 18.248 9.742 -8.085 23 HG SER 5 HG SER 5 19.079 7.816 -7.129 24 H SER 6 H SER 6 14.814 8.416 -5.605 25 HA SER 6 HA SER 6 13.223 6.431 -7.112 26 HB2 SER 6 1HB SER 6 15.405 5.349 -6.394 27 HB3 SER 6 2HB SER 6 14.897 5.600 -4.714 28 HG SER 6 HG SER 6 14.331 3.513 -5.577 29 H GLY 7 H GLY 7 11.670 5.288 -5.537 30 HA2 GLY 7 1HA GLY 7 10.842 6.536 -3.096 31 HA3 GLY 7 2HA GLY 7 9.887 7.181 -4.434 32 H LEU 8 H LEU 8 8.315 6.161 -2.818 33 HA LEU 8 HA LEU 8 7.873 3.265 -3.076 34 HB2 LEU 8 1HB LEU 8 6.206 5.458 -1.790 35 HB3 LEU 8 2HB LEU 8 5.863 3.732 -1.698 36 HG LEU 8 HG LEU 8 8.389 5.058 -0.600 37 HD11 LEU 8 1HD1 LEU 8 6.350 5.736 0.612 38 HD12 LEU 8 2HD1 LEU 8 7.400 4.704 1.600 39 HD13 LEU 8 3HD1 LEU 8 5.936 4.026 0.861 40 HD21 LEU 8 3HD2 LEU 8 7.318 2.227 -0.232 41 HD22 LEU 8 1HD2 LEU 8 8.731 2.920 0.585 42 HD23 LEU 8 2HD2 LEU 8 8.769 2.671 -1.160 43 H LEU 9 H LEU 9 6.625 2.297 -4.478 44 HA LEU 9 HA LEU 9 5.729 3.891 -6.786 45 HB2 LEU 9 1HB LEU 9 6.247 0.933 -6.341 46 HB3 LEU 9 2HB LEU 9 5.719 1.611 -7.872 47 HG LEU 9 HG LEU 9 8.347 2.232 -6.445 48 HD11 LEU 9 1HD1 LEU 9 7.757 0.633 -8.969 49 HD12 LEU 9 2HD1 LEU 9 8.226 -0.039 -7.392 50 HD13 LEU 9 3HD1 LEU 9 9.366 0.974 -8.292 51 HD21 LEU 9 3HD2 LEU 9 7.682 4.186 -7.764 52 HD22 LEU 9 1HD2 LEU 9 7.322 3.150 -9.167 53 HD23 LEU 9 2HD2 LEU 9 8.992 3.337 -8.584 54 H TYR 10 H TYR 10 4.205 1.885 -4.344 55 HA TYR 10 HA TYR 10 1.600 2.005 -5.826 56 HB2 TYR 10 1HB TYR 10 2.567 -0.150 -3.916 57 HB3 TYR 10 2HB TYR 10 1.035 -0.112 -4.757 58 HD1 TYR 10 1HD TYR 10 4.696 -0.533 -5.194 59 HD2 TYR 10 2HD TYR 10 0.843 -0.627 -7.131 60 HE1 TYR 10 1HE TYR 10 5.744 -1.505 -7.247 61 HE2 TYR 10 2HE TYR 10 1.876 -1.643 -9.149 62 HH TYR 10 HH TYR 10 3.824 -2.329 -10.155 63 H ASP 11 H ASP 11 -0.330 2.272 -4.645 64 HA ASP 11 HA ASP 11 -0.041 3.346 -1.885 65 HB2 ASP 11 1HB ASP 11 -1.257 5.304 -2.407 66 HB3 ASP 11 2HB ASP 11 0.089 5.190 -3.530 67 H CYS 12 H CYS 12 -1.702 3.228 -0.540 68 HA CYS 12 HA CYS 12 -3.978 1.433 -1.102 69 HB2 CYS 12 1HB CYS 12 -2.755 1.196 0.987 70 HB3 CYS 12 2HB CYS 12 -2.996 2.916 1.364 71 H HIS 13 H HIS 13 -5.915 2.164 -1.700 72 HA HIS 13 HA HIS 13 -6.465 5.070 -1.765 73 HB2 HIS 13 1HB HIS 13 -8.226 4.575 -3.298 74 HB3 HIS 13 2HB HIS 13 -6.728 3.830 -3.833 75 HD1 HIS 13 1HD HIS 13 -10.117 2.833 -2.261 76 HD2 HIS 13 2HD HIS 13 -6.833 1.242 -4.353 77 HE1 HIS 13 1HE HIS 13 -10.778 0.457 -2.931 78 H ILE 14 H ILE 14 -6.739 3.008 0.640 79 HA ILE 14 HA ILE 14 -9.468 3.866 1.533 80 HB ILE 14 HB ILE 14 -7.751 1.732 2.754 81 HG12 ILE 14 1HG1 ILE 14 -8.212 1.045 0.434 82 HG13 ILE 14 2HG1 ILE 14 -8.994 0.037 1.632 83 HG21 ILE 14 1HG2 ILE 14 -10.683 2.478 3.048 84 HG22 ILE 14 2HG2 ILE 14 -9.979 0.977 3.675 85 HG23 ILE 14 3HG2 ILE 14 -9.415 2.531 4.287 86 HD11 ILE 14 3HD1 ILE 14 -11.155 1.047 1.190 87 HD12 ILE 14 1HD1 ILE 14 -10.407 2.191 0.040 88 HD13 ILE 14 2HD1 ILE 14 -10.416 0.441 -0.299 89 H CYS 15 H CYS 15 -6.043 3.704 2.526 90 HA CYS 15 HA CYS 15 -6.537 5.745 4.626 91 HB2 CYS 15 1HB CYS 15 -5.291 4.586 6.216 92 HB3 CYS 15 2HB CYS 15 -6.591 3.566 5.622 93 H GLU 16 H GLU 16 -5.082 5.539 1.895 94 HA GLU 16 HA GLU 16 -3.453 6.715 0.851 95 HB2 GLU 16 1HB GLU 16 -4.037 8.297 3.343 96 HB3 GLU 16 2HB GLU 16 -2.789 8.864 2.229 97 HG2 GLU 16 1HG GLU 16 -4.762 9.971 1.593 98 HG3 GLU 16 2HG GLU 16 -4.464 8.761 0.357 99 H ARG 17 H ARG 17 -2.469 4.660 3.056 100 HA ARG 17 HA ARG 17 0.367 5.282 3.320 101 HB2 ARG 17 1HB ARG 17 -1.431 2.920 3.801 102 HB3 ARG 17 2HB ARG 17 0.263 2.551 3.492 103 HG2 ARG 17 1HG ARG 17 1.043 3.893 5.293 104 HG3 ARG 17 2HG ARG 17 -0.549 4.616 5.570 105 HD2 ARG 17 1HD ARG 17 -0.139 1.613 5.788 106 HD3 ARG 17 2HD ARG 17 0.281 2.693 7.113 107 HE ARG 17 HE ARG 17 -2.454 2.866 5.899 108 HH11 ARG 17 2HH1 ARG 17 -0.634 2.118 8.816 109 HH12 ARG 17 1HH1 ARG 17 -2.076 2.165 9.794 110 HH21 ARG 17 2HH2 ARG 17 -4.144 2.865 7.110 111 HH22 ARG 17 1HH2 ARG 17 -4.058 2.594 8.847 112 H LYS 18 H LYS 18 2.103 4.140 2.369 113 HA LYS 18 HA LYS 18 1.689 3.360 -0.476 114 HB2 LYS 18 1HB LYS 18 3.679 5.453 0.473 115 HB3 LYS 18 2HB LYS 18 3.582 4.760 -1.154 116 HG2 LYS 18 1HG LYS 18 1.267 5.621 -1.393 117 HG3 LYS 18 2HG LYS 18 1.416 6.438 0.167 118 HD2 LYS 18 1HD LYS 18 3.223 6.940 -2.238 119 HD3 LYS 18 2HD LYS 18 1.809 7.917 -1.805 120 HE2 LYS 18 1HE LYS 18 2.854 8.422 0.408 121 HE3 LYS 18 2HE LYS 18 4.293 7.513 -0.075 122 HZ1 LYS 18 3HZ LYS 18 3.264 9.941 -1.449 123 HZ2 LYS 18 1HZ LYS 18 4.588 9.100 -1.911 124 HZ3 LYS 18 2HZ LYS 18 4.575 9.888 -0.482 125 H PHE 19 H PHE 19 3.272 2.125 -1.442 126 HA PHE 19 HA PHE 19 5.141 0.686 0.401 127 HB2 PHE 19 1HB PHE 19 3.117 -0.473 -1.518 128 HB3 PHE 19 2HB PHE 19 4.231 -1.401 -0.542 129 HD1 PHE 19 1HD PHE 19 4.002 -1.612 1.881 130 HD2 PHE 19 2HD PHE 19 1.090 0.534 -0.444 131 HE1 PHE 19 1HE PHE 19 2.488 -1.604 3.821 132 HE2 PHE 19 2HE PHE 19 -0.405 0.655 1.552 133 HZ PHE 19 HZ PHE 19 0.302 -0.395 3.700 134 H LYS 20 H LYS 20 6.629 -0.712 -0.577 135 HA LYS 20 HA LYS 20 7.982 0.519 -2.808 136 HB2 LYS 20 1HB LYS 20 8.977 -0.459 -0.676 137 HB3 LYS 20 2HB LYS 20 8.692 -2.067 -1.342 138 HG2 LYS 20 1HG LYS 20 10.147 -1.569 -3.258 139 HG3 LYS 20 2HG LYS 20 10.340 0.110 -2.702 140 HD2 LYS 20 1HD LYS 20 11.400 -0.761 -0.593 141 HD3 LYS 20 2HD LYS 20 11.306 -2.405 -1.268 142 HE2 LYS 20 1HE LYS 20 12.663 -1.643 -3.225 143 HE3 LYS 20 2HE LYS 20 12.758 -0.026 -2.515 144 HZ1 LYS 20 3HZ LYS 20 14.741 -1.336 -2.005 145 HZ2 LYS 20 1HZ LYS 20 13.859 -2.497 -1.276 146 HZ3 LYS 20 2HZ LYS 20 13.948 -1.002 -0.619 147 H ASN 21 H ASN 21 6.340 -2.594 -2.378 148 HA ASN 21 HA ASN 21 6.251 -2.890 -5.348 149 HB2 ASN 21 1HB ASN 21 6.314 -5.380 -5.026 150 HB3 ASN 21 2HB ASN 21 7.819 -4.563 -4.712 151 HD21 ASN 21 1HD2 ASN 21 8.778 -4.790 -2.700 152 HD22 ASN 21 2HD2 ASN 21 8.016 -5.679 -1.387 153 H GLU 22 H GLU 22 4.511 -4.130 -6.152 154 HA GLU 22 HA GLU 22 1.983 -3.188 -5.286 155 HB2 GLU 22 1HB GLU 22 2.743 -4.001 -7.615 156 HB3 GLU 22 2HB GLU 22 2.494 -5.637 -7.028 157 HG2 GLU 22 1HG GLU 22 0.110 -5.117 -6.587 158 HG3 GLU 22 2HG GLU 22 0.368 -3.446 -7.080 159 H LEU 23 H LEU 23 3.639 -6.273 -4.775 160 HA LEU 23 HA LEU 23 1.604 -7.759 -3.493 161 HB2 LEU 23 1HB LEU 23 3.576 -8.830 -4.288 162 HB3 LEU 23 2HB LEU 23 4.642 -7.777 -3.369 163 HG LEU 23 HG LEU 23 3.825 -8.816 -1.241 164 HD11 LEU 23 1HD1 LEU 23 2.523 -10.920 -1.341 165 HD12 LEU 23 2HD1 LEU 23 2.278 -10.688 -3.087 166 HD13 LEU 23 3HD1 LEU 23 1.572 -9.551 -1.915 167 HD21 LEU 23 3HD2 LEU 23 4.807 -10.818 -3.314 168 HD22 LEU 23 1HD2 LEU 23 4.941 -10.977 -1.547 169 HD23 LEU 23 2HD2 LEU 23 5.823 -9.690 -2.386 170 H ASP 24 H ASP 24 4.119 -5.643 -1.949 171 HA ASP 24 HA ASP 24 3.264 -6.116 0.664 172 HB2 ASP 24 1HB ASP 24 5.432 -5.021 -0.182 173 HB3 ASP 24 2HB ASP 24 4.527 -3.509 -0.154 174 H ARG 25 H ARG 25 2.080 -3.768 -1.650 175 HA ARG 25 HA ARG 25 0.269 -2.373 0.206 176 HB2 ARG 25 1HB ARG 25 1.294 -1.375 -1.858 177 HB3 ARG 25 2HB ARG 25 0.327 -2.383 -2.847 178 HG2 ARG 25 1HG ARG 25 -0.852 -0.415 -0.802 179 HG3 ARG 25 2HG ARG 25 -0.407 0.052 -2.445 180 HD2 ARG 25 1HD ARG 25 -2.583 -1.838 -1.565 181 HD3 ARG 25 2HD ARG 25 -2.753 -0.298 -2.373 182 HE ARG 25 HE ARG 25 -1.508 -2.728 -3.565 183 HH11 ARG 25 2HH1 ARG 25 -2.947 0.395 -4.257 184 HH12 ARG 25 1HH1 ARG 25 -3.372 -0.077 -5.885 185 HH21 ARG 25 2HH2 ARG 25 -2.314 -3.342 -5.473 186 HH22 ARG 25 1HH2 ARG 25 -2.914 -2.148 -6.620 187 H ASP 26 H ASP 26 -0.080 -4.922 -2.274 188 HA ASP 26 HA ASP 26 -2.890 -5.179 -2.064 189 HB2 ASP 26 1HB ASP 26 -0.662 -6.992 -3.025 190 HB3 ASP 26 2HB ASP 26 -2.295 -7.604 -2.889 191 H ARG 27 H ARG 27 -0.300 -6.949 -0.256 192 HA ARG 27 HA ARG 27 -2.208 -8.454 1.329 193 HB2 ARG 27 1HB ARG 27 -0.408 -9.146 2.704 194 HB3 ARG 27 2HB ARG 27 0.053 -9.272 1.006 195 HG2 ARG 27 1HG ARG 27 1.462 -7.322 1.167 196 HG3 ARG 27 2HG ARG 27 0.858 -6.912 2.762 197 HD2 ARG 27 1HD ARG 27 1.792 -9.072 3.630 198 HD3 ARG 27 2HD ARG 27 2.453 -9.406 2.015 199 HE ARG 27 HE ARG 27 3.423 -6.851 2.804 200 HH11 ARG 27 2HH1 ARG 27 3.866 -10.159 3.927 201 HH12 ARG 27 1HH1 ARG 27 5.440 -9.789 4.576 202 HH21 ARG 27 2HH2 ARG 27 5.308 -6.480 3.567 203 HH22 ARG 27 1HH2 ARG 27 6.274 -7.710 4.393 204 H HIS 28 H HIS 28 -1.039 -5.194 1.655 205 HA HIS 28 HA HIS 28 -2.107 -4.826 4.368 206 HB2 HIS 28 1HB HIS 28 -0.348 -3.379 3.788 207 HB3 HIS 28 2HB HIS 28 -1.004 -3.016 2.203 208 HD1 HIS 28 1HD HIS 28 -1.547 -2.058 5.870 209 HD2 HIS 28 2HD HIS 28 -2.923 -1.188 1.991 210 HE1 HIS 28 1HE HIS 28 -3.028 -0.016 6.107 211 H MET 29 H MET 29 -3.462 -4.331 1.025 212 HA MET 29 HA MET 29 -5.839 -3.083 1.889 213 HB2 MET 29 1HB MET 29 -5.589 -4.995 -0.463 214 HB3 MET 29 2HB MET 29 -6.837 -3.779 -0.196 215 HG2 MET 29 1HG MET 29 -4.522 -2.262 -0.008 216 HG3 MET 29 2HG MET 29 -4.085 -3.482 -1.198 217 HE1 MET 29 3HE MET 29 -7.303 -0.204 -1.589 218 HE2 MET 29 1HE MET 29 -7.417 -1.473 -0.357 219 HE3 MET 29 2HE MET 29 -6.063 -0.318 -0.326 220 H LEU 30 H LEU 30 -4.953 -6.408 2.321 221 HA LEU 30 HA LEU 30 -7.490 -7.608 2.796 222 HB2 LEU 30 1HB LEU 30 -4.881 -8.148 4.268 223 HB3 LEU 30 2HB LEU 30 -6.245 -9.242 4.107 224 HG LEU 30 HG LEU 30 -4.415 -8.332 1.846 225 HD11 LEU 30 1HD1 LEU 30 -3.615 -10.652 1.866 226 HD12 LEU 30 2HD1 LEU 30 -4.692 -11.031 3.228 227 HD13 LEU 30 3HD1 LEU 30 -3.349 -9.888 3.441 228 HD21 LEU 30 3HD2 LEU 30 -5.510 -10.027 0.470 229 HD22 LEU 30 1HD2 LEU 30 -6.679 -8.810 0.988 230 HD23 LEU 30 2HD2 LEU 30 -6.634 -10.404 1.791 231 H VAL 31 H VAL 31 -5.592 -5.397 4.870 232 HA VAL 31 HA VAL 31 -7.051 -5.982 7.291 233 HB VAL 31 HB VAL 31 -5.967 -4.250 8.332 234 HG11 VAL 31 1HG1 VAL 31 -3.958 -5.055 6.226 235 HG12 VAL 31 2HG1 VAL 31 -3.642 -4.468 7.865 236 HG13 VAL 31 3HG1 VAL 31 -4.440 -6.034 7.627 237 HG21 VAL 31 3HG2 VAL 31 -4.675 -2.425 7.164 238 HG22 VAL 31 1HG2 VAL 31 -5.585 -2.834 5.697 239 HG23 VAL 31 2HG2 VAL 31 -6.432 -2.292 7.148 240 H HIS 32 H HIS 32 -7.783 -4.020 4.556 241 HA HIS 32 HA HIS 32 -10.020 -2.594 5.866 242 HB2 HIS 32 1HB HIS 32 -9.073 -2.527 2.985 243 HB3 HIS 32 2HB HIS 32 -10.205 -1.419 3.751 244 HD1 HIS 32 1HD HIS 32 -8.711 -0.440 6.273 245 HD2 HIS 32 2HD HIS 32 -6.927 -1.206 2.550 246 HE1 HIS 32 1HE HIS 32 -6.562 0.906 6.262 247 H GLY 33 H GLY 33 -9.598 -5.625 4.558 248 HA2 GLY 33 1HA GLY 33 -11.276 -7.267 4.508 249 HA3 GLY 33 2HA GLY 33 -12.517 -6.041 4.263 250 H ASP 34 H ASP 34 -9.946 -5.527 2.066 251 HA ASP 34 HA ASP 34 -11.526 -6.521 -0.189 252 HB2 ASP 34 1HB ASP 34 -8.892 -5.039 -0.045 253 HB3 ASP 34 2HB ASP 34 -9.720 -5.467 -1.542 254 H LYS 35 H LYS 35 -10.912 -8.618 1.326 255 HA LYS 35 HA LYS 35 -8.587 -10.093 0.230 256 HB2 LYS 35 1HB LYS 35 -8.893 -11.611 2.079 257 HB3 LYS 35 2HB LYS 35 -8.904 -9.949 2.667 258 HG2 LYS 35 1HG LYS 35 -11.389 -10.013 2.815 259 HG3 LYS 35 2HG LYS 35 -11.377 -11.684 2.218 260 HD2 LYS 35 1HD LYS 35 -10.034 -12.369 4.208 261 HD3 LYS 35 2HD LYS 35 -10.018 -10.691 4.763 262 HE2 LYS 35 1HE LYS 35 -11.691 -11.802 6.032 263 HE3 LYS 35 2HE LYS 35 -12.522 -10.733 4.901 264 HZ1 LYS 35 3HZ LYS 35 -12.162 -13.666 4.530 265 HZ2 LYS 35 1HZ LYS 35 -12.969 -12.687 3.497 266 HZ3 LYS 35 2HZ LYS 35 -13.544 -12.945 5.000 267 H TRP 36 H TRP 36 -11.719 -9.821 -0.763 268 HA TRP 36 HA TRP 36 -11.818 -12.517 -1.998 269 HB2 TRP 36 1HB TRP 36 -14.152 -12.663 -1.436 270 HB3 TRP 36 2HB TRP 36 -13.189 -12.543 0.019 271 HD1 TRP 36 1HD TRP 36 -13.234 -10.035 1.233 272 HE1 TRP 36 1HE TRP 36 -15.158 -8.371 1.494 273 HE3 TRP 36 3HE TRP 36 -16.308 -11.782 -2.478 274 HZ2 TRP 36 2HZ TRP 36 -17.746 -7.900 0.299 275 HZ3 TRP 36 3HZ TRP 36 -18.516 -10.713 -2.876 276 HH2 TRP 36 2HH TRP 36 -19.245 -8.776 -1.500 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 17.084 10.488 -10.286 2 H2 GLY 1 2H GLY 1 18.222 11.540 -9.760 3 H3 GLY 1 3H GLY 1 16.836 12.101 -10.435 4 HA2 GLY 1 1HA GLY 1 16.758 12.374 -8.046 5 HA3 GLY 1 2HA GLY 1 15.514 11.250 -8.622 6 H SER 2 H SER 2 16.708 11.429 -5.990 7 HA SER 2 HA SER 2 17.504 10.238 -4.281 8 HB2 SER 2 1HB SER 2 15.973 8.493 -5.038 9 HB3 SER 2 2HB SER 2 17.261 7.774 -6.023 10 HG SER 2 HG SER 2 16.973 6.822 -3.924 11 H SER 3 H SER 3 19.305 9.341 -3.285 12 HA SER 3 HA SER 3 21.883 9.583 -4.711 13 HB2 SER 3 1HB SER 3 21.280 8.882 -1.816 14 HB3 SER 3 2HB SER 3 22.879 9.219 -2.505 15 HG SER 3 HG SER 3 21.971 11.067 -1.485 16 H GLY 4 H GLY 4 19.616 7.100 -4.215 17 HA2 GLY 4 1HA GLY 4 20.589 5.120 -5.654 18 HA3 GLY 4 2HA GLY 4 21.607 4.879 -4.232 19 H SER 5 H SER 5 19.021 5.822 -2.631 20 HA SER 5 HA SER 5 18.049 3.118 -2.110 21 HB2 SER 5 1HB SER 5 18.405 4.845 -0.339 22 HB3 SER 5 2HB SER 5 17.021 5.746 -0.991 23 HG SER 5 HG SER 5 16.466 4.306 0.747 24 H SER 6 H SER 6 15.968 2.297 -2.433 25 HA SER 6 HA SER 6 14.597 3.246 -4.817 26 HB2 SER 6 1HB SER 6 13.150 1.226 -4.403 27 HB3 SER 6 2HB SER 6 14.878 0.924 -4.644 28 HG SER 6 HG SER 6 14.228 -0.285 -2.908 29 H GLY 7 H GLY 7 12.634 4.151 -5.042 30 HA2 GLY 7 1HA GLY 7 11.422 5.530 -2.746 31 HA3 GLY 7 2HA GLY 7 10.991 5.700 -4.446 32 H LEU 8 H LEU 8 9.008 5.755 -2.793 33 HA LEU 8 HA LEU 8 7.654 3.124 -2.649 34 HB2 LEU 8 1HB LEU 8 6.655 5.918 -1.984 35 HB3 LEU 8 2HB LEU 8 5.789 4.411 -1.698 36 HG LEU 8 HG LEU 8 8.426 5.191 -0.369 37 HD11 LEU 8 1HD1 LEU 8 5.658 5.026 0.849 38 HD12 LEU 8 2HD1 LEU 8 6.402 6.544 0.304 39 HD13 LEU 8 3HD1 LEU 8 7.148 5.604 1.614 40 HD21 LEU 8 3HD2 LEU 8 6.541 2.844 0.130 41 HD22 LEU 8 1HD2 LEU 8 7.937 3.275 1.142 42 HD23 LEU 8 2HD2 LEU 8 8.186 2.745 -0.527 43 H LEU 9 H LEU 9 6.160 2.469 -4.030 44 HA LEU 9 HA LEU 9 5.706 4.085 -6.522 45 HB2 LEU 9 1HB LEU 9 6.411 1.156 -6.123 46 HB3 LEU 9 2HB LEU 9 5.855 1.814 -7.652 47 HG LEU 9 HG LEU 9 8.408 2.632 -6.188 48 HD11 LEU 9 1HD1 LEU 9 9.555 1.458 -8.014 49 HD12 LEU 9 2HD1 LEU 9 7.991 0.988 -8.718 50 HD13 LEU 9 3HD1 LEU 9 8.488 0.357 -7.133 51 HD21 LEU 9 3HD2 LEU 9 7.355 3.448 -8.934 52 HD22 LEU 9 1HD2 LEU 9 8.993 3.776 -8.324 53 HD23 LEU 9 2HD2 LEU 9 7.603 4.519 -7.534 54 H TYR 10 H TYR 10 4.215 1.993 -4.164 55 HA TYR 10 HA TYR 10 1.641 2.010 -5.697 56 HB2 TYR 10 1HB TYR 10 2.698 -0.115 -3.798 57 HB3 TYR 10 2HB TYR 10 1.158 -0.144 -4.624 58 HD1 TYR 10 1HD TYR 10 4.829 -0.375 -5.092 59 HD2 TYR 10 2HD TYR 10 0.972 -0.662 -7.000 60 HE1 TYR 10 1HE TYR 10 5.917 -1.263 -7.158 61 HE2 TYR 10 2HE TYR 10 2.050 -1.600 -9.041 62 HH TYR 10 HH TYR 10 5.601 -2.051 -9.287 63 H ASP 11 H ASP 11 -0.245 2.468 -4.638 64 HA ASP 11 HA ASP 11 -0.047 3.416 -1.821 65 HB2 ASP 11 1HB ASP 11 -1.209 5.402 -2.351 66 HB3 ASP 11 2HB ASP 11 0.161 5.279 -3.447 67 H CYS 12 H CYS 12 -1.732 3.276 -0.524 68 HA CYS 12 HA CYS 12 -3.936 1.437 -1.136 69 HB2 CYS 12 1HB CYS 12 -2.781 1.322 0.991 70 HB3 CYS 12 2HB CYS 12 -3.109 3.036 1.310 71 H HIS 13 H HIS 13 -5.867 2.042 -1.887 72 HA HIS 13 HA HIS 13 -6.585 4.893 -2.061 73 HB2 HIS 13 1HB HIS 13 -8.363 4.193 -3.537 74 HB3 HIS 13 2HB HIS 13 -6.800 3.592 -4.057 75 HD1 HIS 13 1HD HIS 13 -6.674 1.001 -4.493 76 HD2 HIS 13 2HD HIS 13 -10.090 2.306 -2.412 77 HE1 HIS 13 1HE HIS 13 -8.236 -1.007 -4.358 78 H ILE 14 H ILE 14 -6.856 2.831 0.434 79 HA ILE 14 HA ILE 14 -9.565 3.782 1.294 80 HB ILE 14 HB ILE 14 -7.856 1.694 2.613 81 HG12 ILE 14 1HG1 ILE 14 -8.398 0.879 0.368 82 HG13 ILE 14 2HG1 ILE 14 -9.185 -0.035 1.633 83 HG21 ILE 14 1HG2 ILE 14 -10.766 2.509 2.952 84 HG22 ILE 14 2HG2 ILE 14 -10.061 1.038 3.649 85 HG23 ILE 14 3HG2 ILE 14 -9.460 2.619 4.148 86 HD11 ILE 14 3HD1 ILE 14 -11.323 1.014 1.170 87 HD12 ILE 14 1HD1 ILE 14 -10.565 2.071 -0.054 88 HD13 ILE 14 2HD1 ILE 14 -10.629 0.308 -0.298 89 H CYS 15 H CYS 15 -6.155 3.582 2.365 90 HA CYS 15 HA CYS 15 -6.651 5.746 4.344 91 HB2 CYS 15 1HB CYS 15 -5.519 4.639 6.030 92 HB3 CYS 15 2HB CYS 15 -6.802 3.610 5.415 93 H GLU 16 H GLU 16 -5.054 5.322 1.680 94 HA GLU 16 HA GLU 16 -3.391 6.463 0.651 95 HB2 GLU 16 1HB GLU 16 -3.970 8.158 3.068 96 HB3 GLU 16 2HB GLU 16 -2.737 8.660 1.897 97 HG2 GLU 16 1HG GLU 16 -4.420 8.511 0.074 98 HG3 GLU 16 2HG GLU 16 -5.649 8.034 1.248 99 H ARG 17 H ARG 17 -2.540 4.611 3.167 100 HA ARG 17 HA ARG 17 0.277 5.076 3.485 101 HB2 ARG 17 1HB ARG 17 -1.656 2.841 3.961 102 HB3 ARG 17 2HB ARG 17 0.009 2.333 3.701 103 HG2 ARG 17 1HG ARG 17 0.850 3.683 5.481 104 HG3 ARG 17 2HG ARG 17 -0.704 4.503 5.712 105 HD2 ARG 17 1HD ARG 17 -0.436 1.486 6.006 106 HD3 ARG 17 2HD ARG 17 -0.042 2.587 7.321 107 HE ARG 17 HE ARG 17 -2.706 2.834 5.976 108 HH11 ARG 17 1HH1 ARG 17 -1.071 2.034 8.984 109 HH12 ARG 17 2HH1 ARG 17 -2.563 2.121 9.881 110 HH21 ARG 17 2HH2 ARG 17 -4.459 2.875 7.087 111 HH22 ARG 17 1HH2 ARG 17 -4.478 2.609 8.827 112 H LYS 18 H LYS 18 2.050 3.860 2.638 113 HA LYS 18 HA LYS 18 1.731 3.106 -0.229 114 HB2 LYS 18 1HB LYS 18 3.502 5.334 0.832 115 HB3 LYS 18 2HB LYS 18 3.608 4.645 -0.809 116 HG2 LYS 18 1HG LYS 18 1.221 5.245 -1.173 117 HG3 LYS 18 2HG LYS 18 1.211 6.033 0.419 118 HD2 LYS 18 1HD LYS 18 2.962 7.600 -0.313 119 HD3 LYS 18 2HD LYS 18 3.035 6.771 -1.887 120 HE2 LYS 18 1HE LYS 18 1.652 8.677 -2.196 121 HE3 LYS 18 2HE LYS 18 0.635 7.224 -2.226 122 HZ1 LYS 18 3HZ LYS 18 0.929 9.078 0.092 123 HZ2 LYS 18 1HZ LYS 18 -0.002 7.734 0.114 124 HZ3 LYS 18 2HZ LYS 18 -0.381 8.987 -0.871 125 H PHE 19 H PHE 19 3.336 2.086 -1.248 126 HA PHE 19 HA PHE 19 5.321 0.617 0.455 127 HB2 PHE 19 1HB PHE 19 3.248 -0.647 -1.359 128 HB3 PHE 19 2HB PHE 19 4.412 -1.500 -0.373 129 HD1 PHE 19 1HD PHE 19 4.190 -1.567 2.126 130 HD2 PHE 19 2HD PHE 19 1.230 0.352 -0.347 131 HE1 PHE 19 1HE PHE 19 2.650 -1.441 4.067 132 HE2 PHE 19 2HE PHE 19 -0.302 0.510 1.608 133 HZ PHE 19 HZ PHE 19 0.415 -0.380 3.824 134 H LYS 20 H LYS 20 6.857 -0.682 -0.687 135 HA LYS 20 HA LYS 20 7.881 0.652 -3.082 136 HB2 LYS 20 1HB LYS 20 8.943 -1.664 -1.398 137 HB3 LYS 20 2HB LYS 20 9.758 -0.997 -2.815 138 HG2 LYS 20 1HG LYS 20 9.610 1.291 -1.669 139 HG3 LYS 20 2HG LYS 20 9.152 0.417 -0.194 140 HD2 LYS 20 1HD LYS 20 11.299 -0.808 -0.247 141 HD3 LYS 20 2HD LYS 20 11.704 -0.039 -1.799 142 HE2 LYS 20 1HE LYS 20 11.498 2.209 -0.655 143 HE3 LYS 20 2HE LYS 20 11.345 1.360 0.890 144 HZ1 LYS 20 3HZ LYS 20 13.646 2.046 0.394 145 HZ2 LYS 20 1HZ LYS 20 13.656 1.153 -0.969 146 HZ3 LYS 20 2HZ LYS 20 13.560 0.410 0.490 147 H ASN 21 H ASN 21 6.290 -2.458 -2.500 148 HA ASN 21 HA ASN 21 6.283 -2.884 -5.457 149 HB2 ASN 21 1HB ASN 21 6.379 -5.350 -5.017 150 HB3 ASN 21 2HB ASN 21 7.864 -4.496 -4.664 151 HD21 ASN 21 1HD2 ASN 21 8.571 -4.337 -2.490 152 HD22 ASN 21 2HD2 ASN 21 7.687 -5.097 -1.155 153 H GLU 22 H GLU 22 4.542 -4.087 -6.261 154 HA GLU 22 HA GLU 22 2.009 -3.153 -5.407 155 HB2 GLU 22 1HB GLU 22 2.765 -3.968 -7.730 156 HB3 GLU 22 2HB GLU 22 2.537 -5.608 -7.137 157 HG2 GLU 22 1HG GLU 22 0.152 -5.128 -6.700 158 HG3 GLU 22 2HG GLU 22 0.383 -3.445 -7.172 159 H LEU 23 H LEU 23 3.683 -6.206 -4.837 160 HA LEU 23 HA LEU 23 1.643 -7.702 -3.569 161 HB2 LEU 23 1HB LEU 23 3.628 -8.755 -4.330 162 HB3 LEU 23 2HB LEU 23 4.682 -7.698 -3.390 163 HG LEU 23 HG LEU 23 3.823 -8.739 -1.279 164 HD11 LEU 23 1HD1 LEU 23 2.528 -10.847 -1.405 165 HD12 LEU 23 2HD1 LEU 23 2.312 -10.611 -3.155 166 HD13 LEU 23 3HD1 LEU 23 1.585 -9.477 -1.994 167 HD21 LEU 23 3HD2 LEU 23 4.847 -10.741 -3.332 168 HD22 LEU 23 1HD2 LEU 23 4.947 -10.901 -1.561 169 HD23 LEU 23 2HD2 LEU 23 5.844 -9.613 -2.384 170 H ASP 24 H ASP 24 4.152 -5.620 -2.008 171 HA ASP 24 HA ASP 24 3.251 -5.986 0.624 172 HB2 ASP 24 1HB ASP 24 4.953 -3.899 -0.700 173 HB3 ASP 24 2HB ASP 24 4.432 -3.677 0.965 174 H ARG 25 H ARG 25 2.087 -3.735 -1.772 175 HA ARG 25 HA ARG 25 0.304 -2.309 0.105 176 HB2 ARG 25 1HB ARG 25 1.364 -1.292 -1.947 177 HB3 ARG 25 2HB ARG 25 0.374 -2.281 -2.944 178 HG2 ARG 25 1HG ARG 25 -0.761 -0.304 -0.876 179 HG3 ARG 25 2HG ARG 25 -0.325 0.163 -2.520 180 HD2 ARG 25 1HD ARG 25 -2.514 -1.711 -1.636 181 HD3 ARG 25 2HD ARG 25 -2.676 -0.172 -2.441 182 HE ARG 25 HE ARG 25 -1.441 -2.604 -3.642 183 HH11 ARG 25 2HH1 ARG 25 -2.864 0.530 -4.319 184 HH12 ARG 25 1HH1 ARG 25 -3.259 0.078 -5.959 185 HH21 ARG 25 2HH2 ARG 25 -2.238 -3.198 -5.566 186 HH22 ARG 25 1HH2 ARG 25 -2.815 -1.987 -6.706 187 H ASP 26 H ASP 26 -0.048 -4.842 -2.382 188 HA ASP 26 HA ASP 26 -2.866 -5.059 -2.205 189 HB2 ASP 26 1HB ASP 26 -0.651 -6.902 -3.161 190 HB3 ASP 26 2HB ASP 26 -2.297 -7.485 -3.043 191 H ARG 27 H ARG 27 -0.306 -6.835 -0.376 192 HA ARG 27 HA ARG 27 -2.229 -8.339 1.195 193 HB2 ARG 27 1HB ARG 27 -0.429 -9.052 2.560 194 HB3 ARG 27 2HB ARG 27 0.032 -9.156 0.862 195 HG2 ARG 27 1HG ARG 27 1.389 -7.135 1.059 196 HG3 ARG 27 2HG ARG 27 0.832 -6.834 2.679 197 HD2 ARG 27 1HD ARG 27 1.873 -9.067 3.355 198 HD3 ARG 27 2HD ARG 27 2.506 -9.195 1.714 199 HE ARG 27 HE ARG 27 4.043 -7.425 2.123 200 HH11 ARG 27 2HH1 ARG 27 2.153 -7.939 5.054 201 HH12 ARG 27 1HH1 ARG 27 3.275 -6.999 6.000 202 HH21 ARG 27 2HH2 ARG 27 5.309 -6.309 3.288 203 HH22 ARG 27 1HH2 ARG 27 5.077 -6.080 5.025 204 H HIS 28 H HIS 28 -0.986 -5.081 1.574 205 HA HIS 28 HA HIS 28 -2.082 -4.725 4.273 206 HB2 HIS 28 1HB HIS 28 -0.325 -3.264 3.691 207 HB3 HIS 28 2HB HIS 28 -0.992 -2.900 2.107 208 HD1 HIS 28 1HD HIS 28 -1.624 -2.027 5.795 209 HD2 HIS 28 2HD HIS 28 -2.895 -1.070 1.902 210 HE1 HIS 28 1HE HIS 28 -3.180 -0.043 6.047 211 H MET 29 H MET 29 -3.407 -4.209 0.924 212 HA MET 29 HA MET 29 -5.788 -2.969 1.768 213 HB2 MET 29 1HB MET 29 -5.504 -4.872 -0.587 214 HB3 MET 29 2HB MET 29 -6.774 -3.679 -0.333 215 HG2 MET 29 1HG MET 29 -4.430 -2.162 -0.099 216 HG3 MET 29 2HG MET 29 -4.043 -3.343 -1.339 217 HE1 MET 29 3HE MET 29 -7.181 0.011 -1.503 218 HE2 MET 29 1HE MET 29 -7.336 -1.337 -0.362 219 HE3 MET 29 2HE MET 29 -5.938 -0.241 -0.267 220 H LEU 30 H LEU 30 -4.919 -6.308 2.195 221 HA LEU 30 HA LEU 30 -7.476 -7.489 2.617 222 HB2 LEU 30 1HB LEU 30 -4.884 -8.090 4.094 223 HB3 LEU 30 2HB LEU 30 -6.266 -9.161 3.918 224 HG LEU 30 HG LEU 30 -4.425 -8.253 1.667 225 HD11 LEU 30 1HD1 LEU 30 -3.384 -9.840 3.248 226 HD12 LEU 30 2HD1 LEU 30 -3.656 -10.582 1.663 227 HD13 LEU 30 3HD1 LEU 30 -4.742 -10.963 3.018 228 HD21 LEU 30 3HD2 LEU 30 -5.546 -9.954 0.295 229 HD22 LEU 30 1HD2 LEU 30 -6.664 -8.671 0.772 230 HD23 LEU 30 2HD2 LEU 30 -6.721 -10.246 1.602 231 H VAL 31 H VAL 31 -5.579 -5.341 4.755 232 HA VAL 31 HA VAL 31 -7.003 -6.005 7.167 233 HB VAL 31 HB VAL 31 -5.971 -4.241 8.231 234 HG11 VAL 31 1HG1 VAL 31 -4.398 -5.968 7.507 235 HG12 VAL 31 2HG1 VAL 31 -3.961 -4.973 6.102 236 HG13 VAL 31 3HG1 VAL 31 -3.647 -4.379 7.737 237 HG21 VAL 31 3HG2 VAL 31 -4.756 -2.361 7.081 238 HG22 VAL 31 1HG2 VAL 31 -5.633 -2.797 5.600 239 HG23 VAL 31 2HG2 VAL 31 -6.515 -2.290 7.042 240 H HIS 32 H HIS 32 -7.823 -3.966 4.489 241 HA HIS 32 HA HIS 32 -9.990 -2.556 5.878 242 HB2 HIS 32 1HB HIS 32 -9.199 -2.592 2.944 243 HB3 HIS 32 2HB HIS 32 -10.318 -1.470 3.716 244 HD1 HIS 32 1HD HIS 32 -8.800 -0.412 6.160 245 HD2 HIS 32 2HD HIS 32 -7.023 -1.243 2.439 246 HE1 HIS 32 1HE HIS 32 -6.660 0.941 6.110 247 H GLY 33 H GLY 33 -9.707 -5.626 4.426 248 HA2 GLY 33 1HA GLY 33 -12.564 -5.947 3.753 249 HA3 GLY 33 2HA GLY 33 -11.302 -7.180 3.725 250 H ASP 34 H ASP 34 -10.758 -5.958 6.659 251 HA ASP 34 HA ASP 34 -12.048 -8.180 7.984 252 HB2 ASP 34 1HB ASP 34 -9.665 -7.403 8.246 253 HB3 ASP 34 2HB ASP 34 -10.278 -6.005 9.131 254 H LYS 35 H LYS 35 -13.960 -6.280 7.113 255 HA LYS 35 HA LYS 35 -14.912 -4.635 9.348 256 HB2 LYS 35 1HB LYS 35 -16.158 -5.315 6.648 257 HB3 LYS 35 2HB LYS 35 -16.794 -4.129 7.793 258 HG2 LYS 35 1HG LYS 35 -14.696 -2.813 7.619 259 HG3 LYS 35 2HG LYS 35 -14.074 -3.972 6.427 260 HD2 LYS 35 1HD LYS 35 -15.983 -3.463 4.926 261 HD3 LYS 35 2HD LYS 35 -16.610 -2.302 6.117 262 HE2 LYS 35 1HE LYS 35 -14.506 -0.988 5.932 263 HE3 LYS 35 2HE LYS 35 -13.891 -2.140 4.740 264 HZ1 LYS 35 3HZ LYS 35 -16.319 -0.461 4.384 265 HZ2 LYS 35 1HZ LYS 35 -15.749 -1.527 3.285 266 HZ3 LYS 35 2HZ LYS 35 -14.879 -0.201 3.663 267 H TRP 36 H TRP 36 -15.406 -7.900 8.506 268 HA TRP 36 HA TRP 36 -18.103 -8.179 9.642 269 HB2 TRP 36 1HB TRP 36 -17.808 -10.554 8.960 270 HB3 TRP 36 2HB TRP 36 -17.702 -9.384 7.659 271 HD1 TRP 36 1HD TRP 36 -15.396 -9.080 6.421 272 HE1 TRP 36 1HE TRP 36 -13.288 -10.519 6.237 273 HE3 TRP 36 3HE TRP 36 -16.270 -12.289 10.325 274 HZ2 TRP 36 2HZ TRP 36 -12.142 -12.807 7.578 275 HZ3 TRP 36 3HZ TRP 36 -14.653 -14.110 10.831 276 HH2 TRP 36 2HH TRP 36 -12.591 -14.378 9.469 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 14.540 2.042 -12.199 2 H2 GLY 1 2H GLY 1 15.132 1.396 -13.583 3 H3 GLY 1 3H GLY 1 14.063 2.635 -13.651 4 HA2 GLY 1 1HA GLY 1 16.284 3.436 -14.125 5 HA3 GLY 1 2HA GLY 1 15.625 4.150 -12.642 6 H SER 2 H SER 2 18.461 3.453 -13.646 7 HA SER 2 HA SER 2 19.431 1.402 -11.816 8 HB2 SER 2 1HB SER 2 21.621 1.934 -12.854 9 HB3 SER 2 2HB SER 2 20.351 1.551 -14.028 10 HG SER 2 HG SER 2 21.574 3.417 -14.624 11 H SER 3 H SER 3 18.867 4.737 -11.360 12 HA SER 3 HA SER 3 21.116 5.566 -9.905 13 HB2 SER 3 1HB SER 3 18.249 6.509 -9.543 14 HB3 SER 3 2HB SER 3 19.726 7.406 -9.140 15 HG SER 3 HG SER 3 18.869 8.037 -11.174 16 H GLY 4 H GLY 4 18.407 3.636 -8.721 17 HA2 GLY 4 1HA GLY 4 19.557 2.515 -6.532 18 HA3 GLY 4 2HA GLY 4 19.015 4.056 -5.871 19 H SER 5 H SER 5 18.058 1.892 -4.713 20 HA SER 5 HA SER 5 15.445 1.096 -5.804 21 HB2 SER 5 1HB SER 5 16.801 0.298 -3.208 22 HB3 SER 5 2HB SER 5 15.378 -0.467 -3.941 23 HG SER 5 HG SER 5 17.326 -1.596 -4.423 24 H SER 6 H SER 6 16.203 3.871 -4.382 25 HA SER 6 HA SER 6 14.549 4.124 -2.090 26 HB2 SER 6 1HB SER 6 15.476 6.298 -4.002 27 HB3 SER 6 2HB SER 6 14.984 6.517 -2.316 28 HG SER 6 HG SER 6 16.784 5.298 -1.667 29 H GLY 7 H GLY 7 12.716 5.526 -1.771 30 HA2 GLY 7 1HA GLY 7 10.753 6.677 -2.389 31 HA3 GLY 7 2HA GLY 7 10.910 6.120 -4.049 32 H LEU 8 H LEU 8 8.535 6.122 -3.144 33 HA LEU 8 HA LEU 8 7.790 3.266 -2.692 34 HB2 LEU 8 1HB LEU 8 6.262 5.733 -1.789 35 HB3 LEU 8 2HB LEU 8 5.736 4.059 -1.609 36 HG LEU 8 HG LEU 8 8.204 5.257 -0.268 37 HD11 LEU 8 1HD1 LEU 8 6.943 5.311 1.758 38 HD12 LEU 8 2HD1 LEU 8 5.570 4.481 1.010 39 HD13 LEU 8 3HD1 LEU 8 5.970 6.149 0.531 40 HD21 LEU 8 3HD2 LEU 8 8.135 3.198 1.117 41 HD22 LEU 8 1HD2 LEU 8 8.410 2.815 -0.588 42 HD23 LEU 8 2HD2 LEU 8 6.802 2.574 0.123 43 H LEU 9 H LEU 9 6.407 2.427 -4.060 44 HA LEU 9 HA LEU 9 5.793 3.993 -6.542 45 HB2 LEU 9 1HB LEU 9 6.461 1.073 -6.045 46 HB3 LEU 9 2HB LEU 9 5.943 1.706 -7.599 47 HG LEU 9 HG LEU 9 8.484 2.492 -6.097 48 HD11 LEU 9 1HD1 LEU 9 9.634 1.297 -7.908 49 HD12 LEU 9 2HD1 LEU 9 8.072 0.864 -8.639 50 HD13 LEU 9 3HD1 LEU 9 8.528 0.217 -7.049 51 HD21 LEU 9 3HD2 LEU 9 7.750 4.401 -7.444 52 HD22 LEU 9 1HD2 LEU 9 7.487 3.344 -8.852 53 HD23 LEU 9 2HD2 LEU 9 9.127 3.626 -8.225 54 H TYR 10 H TYR 10 4.258 1.967 -4.139 55 HA TYR 10 HA TYR 10 1.702 2.004 -5.706 56 HB2 TYR 10 1HB TYR 10 2.708 -0.141 -3.806 57 HB3 TYR 10 2HB TYR 10 1.186 -0.149 -4.668 58 HD1 TYR 10 1HD TYR 10 4.861 -0.435 -5.042 59 HD2 TYR 10 2HD TYR 10 1.054 -0.627 -7.062 60 HE1 TYR 10 1HE TYR 10 5.986 -1.324 -7.095 61 HE2 TYR 10 2HE TYR 10 2.166 -1.560 -9.079 62 HH TYR 10 HH TYR 10 4.154 -2.166 -10.055 63 H ASP 11 H ASP 11 -0.212 2.414 -4.658 64 HA ASP 11 HA ASP 11 -0.045 3.395 -1.852 65 HB2 ASP 11 1HB ASP 11 -1.205 5.376 -2.421 66 HB3 ASP 11 2HB ASP 11 0.183 5.241 -3.492 67 H CYS 12 H CYS 12 -1.755 3.317 -0.584 68 HA CYS 12 HA CYS 12 -3.948 1.450 -1.154 69 HB2 CYS 12 1HB CYS 12 -2.779 1.370 0.962 70 HB3 CYS 12 2HB CYS 12 -3.096 3.090 1.255 71 H HIS 13 H HIS 13 -5.961 2.006 -1.726 72 HA HIS 13 HA HIS 13 -6.681 4.858 -2.019 73 HB2 HIS 13 1HB HIS 13 -8.486 4.101 -3.426 74 HB3 HIS 13 2HB HIS 13 -6.940 3.471 -3.961 75 HD1 HIS 13 1HD HIS 13 -6.856 0.877 -4.329 76 HD2 HIS 13 2HD HIS 13 -10.165 2.258 -2.128 77 HE1 HIS 13 1HE HIS 13 -8.419 -1.120 -4.056 78 H ILE 14 H ILE 14 -6.895 2.814 0.528 79 HA ILE 14 HA ILE 14 -9.578 3.791 1.439 80 HB ILE 14 HB ILE 14 -7.822 1.720 2.726 81 HG12 ILE 14 1HG1 ILE 14 -8.494 0.870 0.530 82 HG13 ILE 14 2HG1 ILE 14 -9.219 -0.015 1.849 83 HG21 ILE 14 1HG2 ILE 14 -10.702 2.564 3.214 84 HG22 ILE 14 2HG2 ILE 14 -9.974 1.094 3.888 85 HG23 ILE 14 3HG2 ILE 14 -9.332 2.673 4.336 86 HD11 ILE 14 3HD1 ILE 14 -10.760 0.315 -0.003 87 HD12 ILE 14 1HD1 ILE 14 -11.368 1.053 1.488 88 HD13 ILE 14 2HD1 ILE 14 -10.665 2.081 0.208 89 H CYS 15 H CYS 15 -6.152 3.604 2.438 90 HA CYS 15 HA CYS 15 -6.605 5.794 4.403 91 HB2 CYS 15 1HB CYS 15 -5.359 4.728 6.043 92 HB3 CYS 15 2HB CYS 15 -6.647 3.670 5.502 93 H GLU 16 H GLU 16 -5.091 5.342 1.669 94 HA GLU 16 HA GLU 16 -3.468 6.482 0.567 95 HB2 GLU 16 1HB GLU 16 -4.024 8.236 2.948 96 HB3 GLU 16 2HB GLU 16 -2.819 8.722 1.739 97 HG2 GLU 16 1HG GLU 16 -4.537 8.501 -0.045 98 HG3 GLU 16 2HG GLU 16 -5.736 8.040 1.165 99 H ARG 17 H ARG 17 -2.565 4.690 3.098 100 HA ARG 17 HA ARG 17 0.251 5.222 3.365 101 HB2 ARG 17 1HB ARG 17 -1.436 2.710 3.707 102 HB3 ARG 17 2HB ARG 17 0.313 2.711 3.965 103 HG2 ARG 17 1HG ARG 17 0.125 4.462 5.676 104 HG3 ARG 17 2HG ARG 17 -1.626 4.539 5.415 105 HD2 ARG 17 1HD ARG 17 -1.789 2.129 6.042 106 HD3 ARG 17 2HD ARG 17 -0.057 2.096 6.342 107 HE ARG 17 HE ARG 17 -0.328 3.213 8.347 108 HH11 ARG 17 2HH1 ARG 17 -3.482 3.405 6.714 109 HH12 ARG 17 1HH1 ARG 17 -4.236 3.971 8.175 110 HH21 ARG 17 2HH2 ARG 17 -1.413 3.962 10.105 111 HH22 ARG 17 1HH2 ARG 17 -3.116 4.294 10.010 112 H LYS 18 H LYS 18 1.947 3.809 2.639 113 HA LYS 18 HA LYS 18 1.704 3.090 -0.246 114 HB2 LYS 18 1HB LYS 18 3.500 5.299 0.817 115 HB3 LYS 18 2HB LYS 18 3.603 4.600 -0.817 116 HG2 LYS 18 1HG LYS 18 1.223 5.239 -1.194 117 HG3 LYS 18 2HG LYS 18 1.232 6.056 0.385 118 HD2 LYS 18 1HD LYS 18 3.008 7.575 -0.370 119 HD3 LYS 18 2HD LYS 18 3.076 6.714 -1.928 120 HE2 LYS 18 1HE LYS 18 1.730 8.647 -2.272 121 HE3 LYS 18 2HE LYS 18 0.693 7.209 -2.303 122 HZ1 LYS 18 3HZ LYS 18 0.021 7.753 0.015 123 HZ2 LYS 18 1HZ LYS 18 -0.311 9.007 -0.981 124 HZ3 LYS 18 2HZ LYS 18 0.982 9.075 0.005 125 H PHE 19 H PHE 19 3.332 2.060 -1.242 126 HA PHE 19 HA PHE 19 5.247 0.559 0.513 127 HB2 PHE 19 1HB PHE 19 3.248 -0.668 -1.407 128 HB3 PHE 19 2HB PHE 19 4.355 -1.539 -0.371 129 HD1 PHE 19 1HD PHE 19 4.020 -1.640 2.098 130 HD2 PHE 19 2HD PHE 19 1.206 0.377 -0.468 131 HE1 PHE 19 1HE PHE 19 2.414 -1.476 3.986 132 HE2 PHE 19 2HE PHE 19 -0.384 0.580 1.436 133 HZ PHE 19 HZ PHE 19 0.229 -0.341 3.664 134 H LYS 20 H LYS 20 6.794 -0.754 -0.554 135 HA LYS 20 HA LYS 20 7.999 0.560 -2.861 136 HB2 LYS 20 1HB LYS 20 8.833 -1.847 -1.179 137 HB3 LYS 20 2HB LYS 20 9.785 -1.191 -2.514 138 HG2 LYS 20 1HG LYS 20 9.865 1.020 -1.362 139 HG3 LYS 20 2HG LYS 20 9.009 0.305 0.021 140 HD2 LYS 20 1HD LYS 20 10.882 -1.310 0.335 141 HD3 LYS 20 2HD LYS 20 11.689 -0.642 -1.088 142 HE2 LYS 20 1HE LYS 20 12.773 0.322 0.783 143 HE3 LYS 20 2HE LYS 20 11.794 1.594 0.048 144 HZ1 LYS 20 3HZ LYS 20 10.130 1.214 1.806 145 HZ2 LYS 20 1HZ LYS 20 11.577 1.554 2.475 146 HZ3 LYS 20 2HZ LYS 20 11.035 0.018 2.459 147 H ASN 21 H ASN 21 6.267 -2.512 -2.414 148 HA ASN 21 HA ASN 21 6.372 -2.896 -5.371 149 HB2 ASN 21 1HB ASN 21 6.455 -5.367 -4.975 150 HB3 ASN 21 2HB ASN 21 7.926 -4.531 -4.544 151 HD21 ASN 21 1HD2 ASN 21 8.564 -4.455 -2.344 152 HD22 ASN 21 2HD2 ASN 21 7.612 -5.232 -1.063 153 H GLU 22 H GLU 22 4.657 -4.108 -6.240 154 HA GLU 22 HA GLU 22 2.099 -3.175 -5.457 155 HB2 GLU 22 1HB GLU 22 2.916 -3.972 -7.761 156 HB3 GLU 22 2HB GLU 22 2.678 -5.618 -7.187 157 HG2 GLU 22 1HG GLU 22 0.279 -5.146 -6.808 158 HG3 GLU 22 2HG GLU 22 0.517 -3.462 -7.272 159 H LEU 23 H LEU 23 3.743 -6.240 -4.864 160 HA LEU 23 HA LEU 23 1.658 -7.740 -3.677 161 HB2 LEU 23 1HB LEU 23 3.666 -8.783 -4.421 162 HB3 LEU 23 2HB LEU 23 4.693 -7.758 -3.424 163 HG LEU 23 HG LEU 23 3.761 -8.856 -1.366 164 HD11 LEU 23 1HD1 LEU 23 2.334 -10.679 -3.355 165 HD12 LEU 23 2HD1 LEU 23 1.554 -9.580 -2.195 166 HD13 LEU 23 3HD1 LEU 23 2.479 -10.964 -1.606 167 HD21 LEU 23 3HD2 LEU 23 5.825 -9.688 -2.423 168 HD22 LEU 23 1HD2 LEU 23 4.871 -10.790 -3.441 169 HD23 LEU 23 2HD2 LEU 23 4.906 -11.003 -1.675 170 H ASP 24 H ASP 24 4.116 -5.661 -2.035 171 HA ASP 24 HA ASP 24 3.138 -6.077 0.571 172 HB2 ASP 24 1HB ASP 24 4.928 -4.021 -0.679 173 HB3 ASP 24 2HB ASP 24 4.310 -3.736 0.944 174 H ARG 25 H ARG 25 2.127 -3.703 -1.808 175 HA ARG 25 HA ARG 25 0.275 -2.335 0.022 176 HB2 ARG 25 1HB ARG 25 1.356 -1.308 -2.007 177 HB3 ARG 25 2HB ARG 25 0.394 -2.302 -3.026 178 HG2 ARG 25 1HG ARG 25 -0.798 -0.352 -0.964 179 HG3 ARG 25 2HG ARG 25 -0.342 0.132 -2.598 180 HD2 ARG 25 1HD ARG 25 -2.514 -1.793 -1.773 181 HD3 ARG 25 2HD ARG 25 -2.689 -0.234 -2.552 182 HE ARG 25 HE ARG 25 -1.399 -2.633 -3.768 183 HH11 ARG 25 2HH1 ARG 25 -2.828 0.498 -4.424 184 HH12 ARG 25 1HH1 ARG 25 -3.198 0.069 -6.077 185 HH21 ARG 25 2HH2 ARG 25 -2.171 -3.215 -5.705 186 HH22 ARG 25 1HH2 ARG 25 -2.731 -1.994 -6.844 187 H ASP 26 H ASP 26 -0.042 -4.843 -2.505 188 HA ASP 26 HA ASP 26 -2.848 -5.102 -2.349 189 HB2 ASP 26 1HB ASP 26 -0.606 -6.912 -3.277 190 HB3 ASP 26 2HB ASP 26 -2.238 -7.527 -3.166 191 H ARG 27 H ARG 27 -0.318 -6.863 -0.450 192 HA ARG 27 HA ARG 27 -2.330 -8.309 1.083 193 HB2 ARG 27 1HB ARG 27 -0.618 -9.095 2.494 194 HB3 ARG 27 2HB ARG 27 -0.149 -9.280 0.806 195 HG2 ARG 27 1HG ARG 27 1.456 -7.520 0.957 196 HG3 ARG 27 2HG ARG 27 0.835 -6.949 2.502 197 HD2 ARG 27 1HD ARG 27 1.511 -9.077 3.565 198 HD3 ARG 27 2HD ARG 27 2.085 -9.695 2.006 199 HE ARG 27 HE ARG 27 3.628 -7.468 2.248 200 HH11 ARG 27 2HH1 ARG 27 3.065 -10.036 4.590 201 HH12 ARG 27 1HH1 ARG 27 4.648 -9.828 5.286 202 HH21 ARG 27 2HH2 ARG 27 5.527 -7.301 3.100 203 HH22 ARG 27 1HH2 ARG 27 6.044 -8.288 4.470 204 H HIS 28 H HIS 28 -1.006 -5.105 1.461 205 HA HIS 28 HA HIS 28 -2.059 -4.732 4.161 206 HB2 HIS 28 1HB HIS 28 -0.337 -3.258 3.531 207 HB3 HIS 28 2HB HIS 28 -1.067 -2.877 1.979 208 HD1 HIS 28 1HD HIS 28 -1.586 -2.073 5.704 209 HD2 HIS 28 2HD HIS 28 -2.925 -1.013 1.861 210 HE1 HIS 28 1HE HIS 28 -3.065 -0.037 6.026 211 H MET 29 H MET 29 -3.521 -4.258 0.856 212 HA MET 29 HA MET 29 -5.874 -3.031 1.751 213 HB2 MET 29 1HB MET 29 -5.763 -5.108 -0.466 214 HB3 MET 29 2HB MET 29 -6.959 -3.838 -0.251 215 HG2 MET 29 1HG MET 29 -4.076 -3.563 -1.068 216 HG3 MET 29 2HG MET 29 -5.498 -3.146 -1.995 217 HE1 MET 29 3HE MET 29 -6.654 0.227 -0.540 218 HE2 MET 29 1HE MET 29 -6.884 -1.045 -1.759 219 HE3 MET 29 2HE MET 29 -7.307 -1.359 -0.060 220 H LEU 30 H LEU 30 -4.964 -6.355 2.259 221 HA LEU 30 HA LEU 30 -7.495 -7.529 2.833 222 HB2 LEU 30 1HB LEU 30 -4.807 -8.113 4.133 223 HB3 LEU 30 2HB LEU 30 -6.196 -9.178 4.085 224 HG LEU 30 HG LEU 30 -4.547 -8.311 1.669 225 HD11 LEU 30 1HD1 LEU 30 -3.778 -10.636 1.637 226 HD12 LEU 30 2HD1 LEU 30 -4.746 -10.997 3.086 227 HD13 LEU 30 3HD1 LEU 30 -3.375 -9.869 3.183 228 HD21 LEU 30 3HD2 LEU 30 -6.851 -10.291 1.842 229 HD22 LEU 30 1HD2 LEU 30 -5.793 -10.044 0.432 230 HD23 LEU 30 2HD2 LEU 30 -6.854 -8.739 0.972 231 H VAL 31 H VAL 31 -5.525 -5.312 4.797 232 HA VAL 31 HA VAL 31 -6.845 -5.908 7.303 233 HB VAL 31 HB VAL 31 -5.756 -4.140 8.268 234 HG11 VAL 31 1HG1 VAL 31 -3.834 -4.920 6.072 235 HG12 VAL 31 2HG1 VAL 31 -3.448 -4.308 7.685 236 HG13 VAL 31 3HG1 VAL 31 -4.218 -5.895 7.505 237 HG21 VAL 31 3HG2 VAL 31 -5.519 -2.749 5.602 238 HG22 VAL 31 1HG2 VAL 31 -6.328 -2.210 7.076 239 HG23 VAL 31 2HG2 VAL 31 -4.569 -2.296 7.031 240 H HIS 32 H HIS 32 -7.774 -4.036 4.579 241 HA HIS 32 HA HIS 32 -9.904 -2.555 5.995 242 HB2 HIS 32 1HB HIS 32 -9.097 -2.546 3.064 243 HB3 HIS 32 2HB HIS 32 -10.197 -1.422 3.857 244 HD1 HIS 32 1HD HIS 32 -8.625 -0.406 6.298 245 HD2 HIS 32 2HD HIS 32 -6.964 -1.167 2.510 246 HE1 HIS 32 1HE HIS 32 -6.520 1.001 6.183 247 H GLY 33 H GLY 33 -9.622 -5.586 4.426 248 HA2 GLY 33 1HA GLY 33 -12.355 -5.825 3.419 249 HA3 GLY 33 2HA GLY 33 -11.173 -7.119 3.608 250 H ASP 34 H ASP 34 -14.011 -7.154 4.291 251 HA ASP 34 HA ASP 34 -14.087 -7.237 7.244 252 HB2 ASP 34 1HB ASP 34 -16.442 -7.335 7.049 253 HB3 ASP 34 2HB ASP 34 -15.841 -6.027 6.036 254 H LYS 35 H LYS 35 -14.902 -9.421 4.573 255 HA LYS 35 HA LYS 35 -14.624 -11.816 6.338 256 HB2 LYS 35 1HB LYS 35 -16.773 -11.259 5.245 257 HB3 LYS 35 2HB LYS 35 -15.994 -11.330 3.661 258 HG2 LYS 35 1HG LYS 35 -15.568 -13.739 3.942 259 HG3 LYS 35 2HG LYS 35 -16.230 -13.677 5.598 260 HD2 LYS 35 1HD LYS 35 -18.407 -12.938 4.699 261 HD3 LYS 35 2HD LYS 35 -17.744 -12.950 3.052 262 HE2 LYS 35 1HE LYS 35 -17.306 -15.385 3.233 263 HE3 LYS 35 2HE LYS 35 -17.900 -15.386 4.896 264 HZ1 LYS 35 3HZ LYS 35 -19.552 -14.721 2.516 265 HZ2 LYS 35 1HZ LYS 35 -20.089 -14.740 4.059 266 HZ3 LYS 35 2HZ LYS 35 -19.615 -16.127 3.344 267 H TRP 36 H TRP 36 -13.150 -10.307 3.575 268 HA TRP 36 HA TRP 36 -11.676 -12.794 2.833 269 HB2 TRP 36 1HB TRP 36 -12.395 -10.468 1.044 270 HB3 TRP 36 2HB TRP 36 -11.692 -12.006 0.573 271 HD1 TRP 36 1HD TRP 36 -14.851 -10.273 0.651 272 HE1 TRP 36 1HE TRP 36 -16.869 -11.835 0.349 273 HE3 TRP 36 3HE TRP 36 -12.541 -14.751 1.566 274 HZ2 TRP 36 2HZ TRP 36 -17.406 -14.666 0.485 275 HZ3 TRP 36 3HZ TRP 36 -13.840 -16.868 1.495 276 HH2 TRP 36 2HH TRP 36 -16.265 -16.841 0.950
Contact the webmaster for help, if required. Saturday, May 18, 2024 3:16:16 PM GMT (wattos1)