NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608952 | 5ji4 | 30069 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1H ALA 1 5.357 -12.467 8.885 2 H2 ALA 1 2H ALA 1 4.439 -12.587 10.297 3 H3 ALA 1 3H ALA 1 6.126 -12.616 10.385 4 HA ALA 1 HA ALA 1 5.277 -10.483 11.082 5 HB1 ALA 1 1HB ALA 1 6.701 -10.408 8.413 6 HB2 ALA 1 2HB ALA 1 7.466 -10.581 9.992 7 HB3 ALA 1 3HB ALA 1 6.632 -9.083 9.576 8 HA PRO 2 HA PRO 2 1.728 -8.684 9.078 9 HB2 PRO 2 2HB PRO 2 2.370 -6.014 8.936 10 HB3 PRO 2 1HB PRO 2 1.826 -6.816 10.414 11 HG2 PRO 2 2HG PRO 2 4.621 -6.179 9.523 12 HG3 PRO 2 1HG PRO 2 3.884 -5.973 11.124 13 HD2 PRO 2 2HD PRO 2 5.484 -8.058 10.591 14 HD3 PRO 2 1HD PRO 2 4.058 -8.240 11.635 15 H CYS 3 H CYS 3 1.159 -7.113 7.187 16 HA CYS 3 HA CYS 3 2.805 -7.997 4.940 17 HB2 CYS 3 2HB CYS 3 0.301 -8.379 4.997 18 HB3 CYS 3 1HB CYS 3 0.104 -6.637 4.834 19 H GLU 4 H GLU 4 3.514 -6.539 3.329 20 HA GLU 4 HA GLU 4 3.880 -3.791 4.321 21 HB2 GLU 4 1HB GLU 4 5.721 -5.445 2.574 22 HB3 GLU 4 2HB GLU 4 6.021 -3.792 3.103 23 HG2 GLU 4 1HG GLU 4 6.138 -4.516 5.415 24 HG3 GLU 4 2HG GLU 4 5.722 -6.164 4.946 25 H CYS 5 H CYS 5 3.720 -2.103 2.884 26 HA CYS 5 HA CYS 5 2.589 -2.691 0.227 27 HB2 CYS 5 2HB CYS 5 0.791 -2.148 1.873 28 HB3 CYS 5 1HB CYS 5 1.574 -0.605 2.187 29 H ASP 6 H ASP 6 3.510 -1.485 -1.375 30 HA ASP 6 HA ASP 6 5.405 0.618 -0.535 31 HB2 ASP 6 1HB ASP 6 6.443 -1.450 -1.480 32 HB3 ASP 6 2HB ASP 6 5.589 -1.158 -2.983 33 H VAL 7 H VAL 7 4.442 2.494 -0.912 34 HA VAL 7 HA VAL 7 2.861 2.881 -3.357 35 HB VAL 7 HB VAL 7 2.667 4.552 -0.843 36 HG11 VAL 7 1HG1 VAL 7 0.752 4.135 -3.140 37 HG12 VAL 7 2HG1 VAL 7 1.760 5.557 -2.869 38 HG13 VAL 7 3HG1 VAL 7 0.469 5.163 -1.733 39 HG21 VAL 7 1HG2 VAL 7 1.052 2.090 -1.519 40 HG22 VAL 7 2HG2 VAL 7 0.677 3.221 -0.218 41 HG23 VAL 7 3HG2 VAL 7 2.169 2.283 -0.166 42 H ASN 8 H ASN 8 3.730 4.213 -4.799 43 HA ASN 8 HA ASN 8 4.817 5.962 -5.765 44 HB2 ASN 8 1HB ASN 8 3.685 7.314 -4.001 45 HB3 ASN 8 2HB ASN 8 5.073 7.063 -2.949 46 HD21 ASN 8 1HD2 ASN 8 7.039 9.527 -4.441 47 HD22 ASN 8 2HD2 ASN 8 6.963 8.205 -3.332 48 H GLY 9 H GLY 9 6.196 3.710 -3.918 49 HA2 GLY 9 1HA GLY 9 8.440 2.976 -4.427 50 HA3 GLY 9 2HA GLY 9 8.938 4.662 -4.465 51 H GLU 10 H GLU 10 6.961 4.758 -1.993 52 HA GLU 10 HA GLU 10 9.052 4.226 -0.015 53 HB2 GLU 10 1HB GLU 10 6.414 5.702 0.188 54 HB3 GLU 10 2HB GLU 10 7.545 5.497 1.522 55 HG2 GLU 10 1HG GLU 10 9.228 6.769 0.347 56 HG3 GLU 10 2HG GLU 10 8.190 6.889 -1.071 57 H THR 11 H THR 11 8.574 3.002 1.897 58 HA THR 11 HA THR 11 6.607 0.879 1.316 59 HB THR 11 HB THR 11 9.171 0.592 2.904 60 HG1 THR 11 1HG THR 11 8.675 0.531 0.166 61 HG21 THR 11 1HG2 THR 11 7.270 -1.458 1.738 62 HG22 THR 11 2HG2 THR 11 7.483 -1.090 3.451 63 HG23 THR 11 3HG2 THR 11 8.800 -1.823 2.535 64 H TYR 12 H TYR 12 5.092 0.516 2.730 65 HA TYR 12 HA TYR 12 5.306 1.521 5.492 66 HB2 TYR 12 2HB TYR 12 2.846 1.513 3.708 67 HB3 TYR 12 1HB TYR 12 2.881 2.029 5.387 68 HD1 TYR 12 1HD TYR 12 3.892 4.165 6.018 69 HD2 TYR 12 2HD TYR 12 3.765 2.923 1.944 70 HE1 TYR 12 1HE TYR 12 4.429 6.455 5.306 71 HE2 TYR 12 2HE TYR 12 4.305 5.211 1.224 72 HH TYR 12 HH TYR 12 4.179 7.483 2.046 73 H THR 13 H THR 13 3.700 0.351 6.944 74 HA THR 13 HA THR 13 3.440 -2.470 6.109 75 HB THR 13 HB THR 13 3.373 -2.954 8.607 76 HG1 THR 13 1HG THR 13 3.228 -0.397 8.853 77 HG21 THR 13 1HG2 THR 13 5.808 -2.864 8.872 78 HG22 THR 13 2HG2 THR 13 5.920 -1.757 7.502 79 HG23 THR 13 3HG2 THR 13 5.362 -3.413 7.256 80 H VAL 14 H VAL 14 1.505 -3.469 6.321 81 HA VAL 14 HA VAL 14 -0.755 -2.020 7.504 82 HB VAL 14 HB VAL 14 -2.188 -2.651 5.568 83 HG11 VAL 14 1HG1 VAL 14 -1.410 -0.906 4.031 84 HG12 VAL 14 2HG1 VAL 14 0.160 -0.891 4.837 85 HG13 VAL 14 3HG1 VAL 14 -1.285 -0.382 5.712 86 HG21 VAL 14 1HG2 VAL 14 -1.153 -3.320 3.446 87 HG22 VAL 14 2HG2 VAL 14 -0.845 -4.513 4.708 88 HG23 VAL 14 3HG2 VAL 14 0.425 -3.385 4.230 89 H SER 15 H SER 15 -2.520 -3.393 8.074 90 HA SER 15 HA SER 15 -1.746 -5.918 9.078 91 HB2 SER 15 1HB SER 15 -3.485 -4.511 10.132 92 HB3 SER 15 2HB SER 15 -4.534 -4.769 8.738 93 HG SER 15 HG SER 15 -3.505 -6.897 10.313 94 H SER 16 H SER 16 -3.559 -4.944 6.188 95 HA SER 16 HA SER 16 -3.379 -7.695 5.197 96 HB2 SER 16 1HB SER 16 -5.954 -6.091 5.207 97 HB3 SER 16 2HB SER 16 -5.732 -7.692 4.498 98 HG SER 16 HG SER 16 -5.192 -8.431 6.635 99 H SER 17 H SER 17 -3.686 -7.897 2.890 100 HA SER 17 HA SER 17 -2.294 -5.963 1.400 101 HB2 SER 17 1HB SER 17 -4.135 -8.128 0.339 102 HB3 SER 17 2HB SER 17 -2.805 -7.353 -0.525 103 HG SER 17 HG SER 17 -1.358 -8.310 0.904 104 H GLU 18 H GLU 18 -5.712 -6.558 1.887 105 HA GLU 18 HA GLU 18 -6.658 -4.694 -0.037 106 HB2 GLU 18 1HB GLU 18 -8.750 -4.785 1.662 107 HB3 GLU 18 2HB GLU 18 -8.431 -6.031 0.468 108 HG2 GLU 18 1HG GLU 18 -7.385 -6.236 3.279 109 HG3 GLU 18 2HG GLU 18 -9.013 -6.755 2.850 110 H GLU 19 H GLU 19 -5.668 -4.454 3.313 111 HA GLU 19 HA GLU 19 -6.557 -1.792 3.744 112 HB2 GLU 19 1HB GLU 19 -4.239 -3.247 5.048 113 HB3 GLU 19 2HB GLU 19 -4.994 -1.774 5.640 114 HG2 GLU 19 1HG GLU 19 -6.271 -4.499 5.438 115 HG3 GLU 19 2HG GLU 19 -5.776 -3.670 6.913 116 H CYS 20 H CYS 20 -3.541 -3.219 2.550 117 HA CYS 20 HA CYS 20 -2.071 -0.900 2.056 118 HB2 CYS 20 2HB CYS 20 -0.943 -2.931 1.659 119 HB3 CYS 20 1HB CYS 20 -2.225 -3.555 0.630 120 H GLU 21 H GLU 21 -4.233 -2.603 -0.214 121 HA GLU 21 HA GLU 21 -4.279 -0.866 -2.308 122 HB2 GLU 21 1HB GLU 21 -5.736 -3.106 -1.419 123 HB3 GLU 21 2HB GLU 21 -6.950 -1.879 -1.737 124 HG2 GLU 21 1HG GLU 21 -4.830 -2.478 -3.764 125 HG3 GLU 21 2HG GLU 21 -6.243 -3.508 -3.603 126 H ARG 22 H ARG 22 -6.462 -0.786 0.514 127 HA ARG 22 HA ARG 22 -7.921 1.472 -0.252 128 HB2 ARG 22 1HB ARG 22 -7.538 -0.091 2.240 129 HB3 ARG 22 2HB ARG 22 -8.107 1.551 2.452 130 HG2 ARG 22 1HG ARG 22 -9.975 0.025 2.374 131 HG3 ARG 22 2HG ARG 22 -10.007 1.094 0.974 132 HD2 ARG 22 1HD ARG 22 -8.869 -1.700 0.908 133 HD3 ARG 22 2HD ARG 22 -10.548 -1.331 0.521 134 HE ARG 22 HE ARG 22 -8.188 -0.673 -1.076 135 HH11 ARG 22 1HH1 ARG 22 -11.644 -0.382 -0.638 136 HH12 ARG 22 2HH1 ARG 22 -11.953 0.020 -2.295 137 HH21 ARG 22 1HH2 ARG 22 -8.586 -0.149 -3.271 138 HH22 ARG 22 2HH2 ARG 22 -10.216 0.130 -3.798 139 H LEU 23 H LEU 23 -4.982 1.166 1.710 140 HA LEU 23 HA LEU 23 -4.749 3.830 2.534 141 HB2 LEU 23 1HB LEU 23 -3.369 2.042 3.452 142 HB3 LEU 23 2HB LEU 23 -2.589 1.810 1.899 143 HG LEU 23 HG LEU 23 -1.611 4.087 2.077 144 HD11 LEU 23 1HD1 LEU 23 -2.783 4.068 4.862 145 HD12 LEU 23 2HD1 LEU 23 -3.301 5.098 3.526 146 HD13 LEU 23 3HD1 LEU 23 -1.683 5.281 4.202 147 HD21 LEU 23 1HD2 LEU 23 -0.336 2.120 2.795 148 HD22 LEU 23 2HD2 LEU 23 -0.996 2.285 4.422 149 HD23 LEU 23 3HD2 LEU 23 0.058 3.538 3.766 150 H CYS 24 H CYS 24 -3.449 2.194 -0.327 151 HA CYS 24 HA CYS 24 -2.192 4.418 -1.482 152 HB2 CYS 24 2HB CYS 24 -3.378 1.984 -2.849 153 HB3 CYS 24 1HB CYS 24 -2.165 3.070 -3.532 154 H ARG 25 H ARG 25 -5.503 3.222 -1.714 155 HA ARG 25 HA ARG 25 -6.419 5.056 -3.680 156 HB2 ARG 25 1HB ARG 25 -7.979 3.685 -1.475 157 HB3 ARG 25 2HB ARG 25 -8.688 4.500 -2.862 158 HG2 ARG 25 1HG ARG 25 -6.884 2.090 -3.021 159 HG3 ARG 25 2HG ARG 25 -8.645 2.040 -3.070 160 HD2 ARG 25 1HD ARG 25 -8.629 3.393 -5.113 161 HD3 ARG 25 2HD ARG 25 -6.865 3.460 -5.056 162 HE ARG 25 HE ARG 25 -7.049 0.911 -5.175 163 HH11 ARG 25 1HH1 ARG 25 -9.309 3.085 -6.750 164 HH12 ARG 25 2HH1 ARG 25 -9.722 1.942 -7.991 165 HH21 ARG 25 1HH2 ARG 25 -7.616 -0.587 -6.762 166 HH22 ARG 25 2HH2 ARG 25 -8.777 -0.156 -7.986 167 H LYS 26 H LYS 26 -6.183 5.204 -0.156 168 HA LYS 26 HA LYS 26 -7.627 7.575 0.221 169 HB2 LYS 26 1HB LYS 26 -5.565 6.054 1.810 170 HB3 LYS 26 2HB LYS 26 -6.272 7.529 2.388 171 HG2 LYS 26 1HG LYS 26 -8.000 5.226 1.591 172 HG3 LYS 26 2HG LYS 26 -7.252 5.295 3.185 173 HD2 LYS 26 1HD LYS 26 -9.399 6.187 3.501 174 HD3 LYS 26 2HD LYS 26 -8.347 7.599 3.417 175 HE2 LYS 26 1HE LYS 26 -10.351 8.014 2.139 176 HE3 LYS 26 2HE LYS 26 -8.983 7.881 1.035 177 HZ1 LYS 26 1HZ LYS 26 -10.941 5.718 1.609 178 HZ2 LYS 26 2HZ LYS 26 -9.654 5.624 0.522 179 HZ3 LYS 26 3HZ LYS 26 -10.933 6.690 0.226 180 H LEU 27 H LEU 27 -4.211 6.846 -0.289 181 HA LEU 27 HA LEU 27 -3.347 9.573 -0.160 182 HB2 LEU 27 1HB LEU 27 -1.990 7.175 -1.419 183 HB3 LEU 27 2HB LEU 27 -1.228 8.712 -1.049 184 HG LEU 27 HG LEU 27 -2.317 6.739 0.974 185 HD11 LEU 27 1HD1 LEU 27 0.527 7.511 0.316 186 HD12 LEU 27 2HD1 LEU 27 -0.254 5.978 -0.077 187 HD13 LEU 27 3HD1 LEU 27 0.018 6.421 1.608 188 HD21 LEU 27 1HD2 LEU 27 -1.292 8.232 2.653 189 HD22 LEU 27 2HD2 LEU 27 -2.613 9.002 1.778 190 HD23 LEU 27 3HD2 LEU 27 -0.943 9.402 1.378 191 H GLY 28 H GLY 28 -4.654 7.475 -2.594 192 HA2 GLY 28 1HA GLY 28 -5.525 8.014 -4.663 193 HA3 GLY 28 2HA GLY 28 -5.033 9.682 -4.404 194 H VAL 29 H VAL 29 -3.071 6.745 -4.356 195 HA VAL 29 HA VAL 29 -1.531 7.797 -6.653 196 HB VAL 29 HB VAL 29 -0.408 6.270 -4.283 197 HG11 VAL 29 1HG1 VAL 29 0.986 7.588 -6.620 198 HG12 VAL 29 2HG1 VAL 29 0.814 5.851 -6.361 199 HG13 VAL 29 3HG1 VAL 29 1.785 6.817 -5.247 200 HG21 VAL 29 1HG2 VAL 29 0.670 8.371 -3.639 201 HG22 VAL 29 2HG2 VAL 29 -1.086 8.538 -3.642 202 HG23 VAL 29 3HG2 VAL 29 -0.135 9.203 -4.971 203 H THR 30 H THR 30 -1.339 6.434 -8.321 204 HA THR 30 HA THR 30 -2.519 3.815 -8.204 205 HB THR 30 HB THR 30 -1.646 3.718 -10.632 206 HG1 THR 30 1HG THR 30 -0.178 5.258 -10.911 207 HG21 THR 30 1HG2 THR 30 -3.425 5.205 -11.436 208 HG22 THR 30 2HG2 THR 30 -3.536 5.947 -9.840 209 HG23 THR 30 3HG2 THR 30 -3.977 4.253 -10.057 210 H ASN 31 H ASN 31 0.752 5.134 -8.291 211 HA ASN 31 HA ASN 31 2.113 2.661 -8.559 212 HB2 ASN 31 1HB ASN 31 3.188 4.878 -8.916 213 HB3 ASN 31 2HB ASN 31 3.061 5.200 -7.191 214 HD21 ASN 31 1HD2 ASN 31 6.429 3.816 -8.251 215 HD22 ASN 31 2HD2 ASN 31 5.403 5.021 -8.945 216 H CYS 32 H CYS 32 1.429 1.089 -7.223 217 HA CYS 32 HA CYS 32 1.919 1.296 -4.356 218 HB2 CYS 32 2HB CYS 32 -0.317 2.219 -4.457 219 HB3 CYS 32 1HB CYS 32 -0.865 0.952 -5.545 220 H ARG 33 H ARG 33 2.643 -0.640 -3.667 221 HA ARG 33 HA ARG 33 2.039 -3.073 -5.231 222 HB2 ARG 33 1HB ARG 33 4.734 -2.350 -4.043 223 HB3 ARG 33 2HB ARG 33 4.363 -3.769 -5.007 224 HG2 ARG 33 1HG ARG 33 4.270 -2.576 -6.985 225 HG3 ARG 33 2HG ARG 33 3.943 -1.046 -6.171 226 HD2 ARG 33 1HD ARG 33 6.201 -1.083 -7.084 227 HD3 ARG 33 2HD ARG 33 6.234 -0.994 -5.323 228 HE ARG 33 HE ARG 33 6.516 -3.613 -6.610 229 HH11 ARG 33 1HH1 ARG 33 7.904 -1.010 -4.712 230 HH12 ARG 33 2HH1 ARG 33 9.347 -1.896 -4.339 231 HH21 ARG 33 1HH2 ARG 33 8.420 -4.764 -6.119 232 HH22 ARG 33 2HH2 ARG 33 9.642 -4.024 -5.134 233 H VAL 34 H VAL 34 2.543 -5.083 -3.890 234 HA VAL 34 HA VAL 34 2.413 -4.665 -1.017 235 HB VAL 34 HB VAL 34 0.061 -4.466 -1.708 236 HG11 VAL 34 1HG1 VAL 34 -1.143 -6.379 -2.653 237 HG12 VAL 34 2HG1 VAL 34 0.372 -7.273 -2.784 238 HG13 VAL 34 3HG1 VAL 34 0.126 -5.812 -3.741 239 HG21 VAL 34 1HG2 VAL 34 0.593 -5.430 0.485 240 HG22 VAL 34 2HG2 VAL 34 0.619 -7.044 -0.229 241 HG23 VAL 34 3HG2 VAL 34 -0.885 -6.122 -0.183 242 H HIS 35 H HIS 35 3.138 -6.337 0.155 243 HA HIS 35 HA HIS 35 3.171 -9.046 -0.807 244 HB2 HIS 35 1HB HIS 35 5.583 -9.406 -0.657 245 HB3 HIS 35 2HB HIS 35 5.250 -8.169 -1.861 246 HD1 HIS 35 HD1 HIS 35 6.211 -5.835 -1.445 247 HD2 HIS 35 HD2 HIS 35 6.890 -8.478 1.693 248 HE1 HIS 35 HE1 HIS 35 7.881 -4.696 0.050 249 HE2 HIS 35 HE2 HIS 35 8.185 -6.261 2.002 250 H CYS 36 H CYS 36 3.168 -10.454 0.941 251 HA CYS 36 HA CYS 36 3.180 -9.106 3.573 252 HB2 CYS 36 2HB CYS 36 1.585 -11.565 2.804 253 HB3 CYS 36 1HB CYS 36 1.437 -10.619 4.279 254 H GLY 37 H GLY 37 4.742 -9.736 4.912 255 HA2 GLY 37 1HA GLY 37 6.332 -12.096 4.216 256 HA3 GLY 37 2HA GLY 37 6.818 -10.790 5.285 Start of MODEL 2 1 H1 ALA 1 1H ALA 1 -1.694 -12.778 9.416 2 H2 ALA 1 2H ALA 1 -0.809 -14.211 9.535 3 H3 ALA 1 3H ALA 1 -0.969 -13.439 8.040 4 HA ALA 1 HA ALA 1 0.438 -12.347 10.402 5 HB1 ALA 1 1HB ALA 1 2.488 -12.725 9.123 6 HB2 ALA 1 2HB ALA 1 1.550 -13.432 7.807 7 HB3 ALA 1 3HB ALA 1 1.623 -14.243 9.372 8 HA PRO 2 HA PRO 2 -0.130 -8.422 8.416 9 HB2 PRO 2 2HB PRO 2 2.112 -7.087 9.195 10 HB3 PRO 2 1HB PRO 2 0.777 -7.437 10.300 11 HG2 PRO 2 2HG PRO 2 3.368 -8.908 9.934 12 HG3 PRO 2 1HG PRO 2 2.558 -8.437 11.441 13 HD2 PRO 2 2HD PRO 2 2.388 -10.946 10.459 14 HD3 PRO 2 1HD PRO 2 1.031 -10.183 11.315 15 H CYS 3 H CYS 3 0.836 -6.977 6.809 16 HA CYS 3 HA CYS 3 2.905 -8.262 5.154 17 HB2 CYS 3 2HB CYS 3 0.372 -7.036 4.030 18 HB3 CYS 3 1HB CYS 3 1.609 -7.928 3.149 19 H GLU 4 H GLU 4 3.489 -6.613 3.299 20 HA GLU 4 HA GLU 4 3.843 -3.987 4.582 21 HB2 GLU 4 1HB GLU 4 5.969 -3.803 3.415 22 HB3 GLU 4 2HB GLU 4 5.934 -5.289 4.347 23 HG2 GLU 4 1HG GLU 4 5.311 -6.495 2.239 24 HG3 GLU 4 2HG GLU 4 5.623 -4.993 1.372 25 H CYS 5 H CYS 5 4.114 -2.184 3.017 26 HA CYS 5 HA CYS 5 2.513 -2.540 0.590 27 HB2 CYS 5 2HB CYS 5 0.990 -1.905 2.466 28 HB3 CYS 5 1HB CYS 5 1.930 -0.435 2.692 29 H ASP 6 H ASP 6 3.185 -1.305 -1.062 30 HA ASP 6 HA ASP 6 5.302 0.664 -0.574 31 HB2 ASP 6 1HB ASP 6 4.876 -1.380 -2.734 32 HB3 ASP 6 2HB ASP 6 5.736 0.095 -3.113 33 H VAL 7 H VAL 7 5.013 2.649 -1.384 34 HA VAL 7 HA VAL 7 2.630 3.275 -2.970 35 HB VAL 7 HB VAL 7 3.461 4.881 -0.532 36 HG11 VAL 7 1HG1 VAL 7 1.268 5.942 -0.786 37 HG12 VAL 7 2HG1 VAL 7 0.953 4.953 -2.211 38 HG13 VAL 7 3HG1 VAL 7 2.256 6.143 -2.234 39 HG21 VAL 7 1HG2 VAL 7 1.243 2.834 -0.716 40 HG22 VAL 7 2HG2 VAL 7 1.502 3.940 0.634 41 HG23 VAL 7 3HG2 VAL 7 2.707 2.708 0.262 42 H ASN 8 H ASN 8 3.592 4.032 -4.767 43 HA ASN 8 HA ASN 8 4.748 5.327 -6.215 44 HB2 ASN 8 1HB ASN 8 4.013 7.267 -4.900 45 HB3 ASN 8 2HB ASN 8 5.333 7.025 -3.765 46 HD21 ASN 8 1HD2 ASN 8 6.010 9.659 -6.429 47 HD22 ASN 8 2HD2 ASN 8 4.593 9.306 -5.508 48 H GLY 9 H GLY 9 6.680 5.574 -3.279 49 HA2 GLY 9 1HA GLY 9 8.578 3.588 -4.198 50 HA3 GLY 9 2HA GLY 9 9.205 5.231 -4.157 51 H GLU 10 H GLU 10 6.834 4.595 -1.793 52 HA GLU 10 HA GLU 10 8.937 4.481 0.269 53 HB2 GLU 10 1HB GLU 10 7.494 6.552 0.176 54 HB3 GLU 10 2HB GLU 10 6.108 5.535 0.545 55 HG2 GLU 10 1HG GLU 10 6.917 6.663 2.533 56 HG3 GLU 10 2HG GLU 10 7.109 4.917 2.679 57 H THR 11 H THR 11 8.673 3.016 1.990 58 HA THR 11 HA THR 11 6.685 0.897 1.466 59 HB THR 11 HB THR 11 9.394 0.577 2.785 60 HG1 THR 11 1HG THR 11 8.513 -0.066 0.140 61 HG21 THR 11 1HG2 THR 11 7.724 -1.097 3.489 62 HG22 THR 11 2HG2 THR 11 8.988 -1.822 2.497 63 HG23 THR 11 3HG2 THR 11 7.406 -1.483 1.797 64 H TYR 12 H TYR 12 5.363 0.286 3.044 65 HA TYR 12 HA TYR 12 5.816 1.143 5.810 66 HB2 TYR 12 2HB TYR 12 3.372 1.688 4.116 67 HB3 TYR 12 1HB TYR 12 3.283 1.648 5.868 68 HD1 TYR 12 1HD TYR 12 5.109 3.160 7.086 69 HD2 TYR 12 2HD TYR 12 3.728 3.761 3.097 70 HE1 TYR 12 1HE TYR 12 5.806 5.511 7.203 71 HE2 TYR 12 2HE TYR 12 4.422 6.118 3.214 72 HH TYR 12 HH TYR 12 6.410 7.324 5.733 73 H THR 13 H THR 13 4.008 0.081 7.211 74 HA THR 13 HA THR 13 3.629 -2.699 6.306 75 HB THR 13 HB THR 13 3.398 -3.106 8.872 76 HG1 THR 13 1HG THR 13 3.681 -1.369 10.031 77 HG21 THR 13 1HG2 THR 13 5.823 -3.407 9.116 78 HG22 THR 13 2HG2 THR 13 6.095 -2.417 7.681 79 HG23 THR 13 3HG2 THR 13 5.266 -3.968 7.539 80 H VAL 14 H VAL 14 1.639 -3.625 6.498 81 HA VAL 14 HA VAL 14 -0.572 -2.059 7.625 82 HB VAL 14 HB VAL 14 -1.992 -2.578 5.647 83 HG11 VAL 14 1HG1 VAL 14 0.472 -0.962 4.969 84 HG12 VAL 14 2HG1 VAL 14 -0.941 -0.372 5.845 85 HG13 VAL 14 3HG1 VAL 14 -1.093 -0.863 4.157 86 HG21 VAL 14 1HG2 VAL 14 -0.953 -3.287 3.549 87 HG22 VAL 14 2HG2 VAL 14 -0.737 -4.505 4.801 88 HG23 VAL 14 3HG2 VAL 14 0.605 -3.446 4.360 89 H SER 15 H SER 15 -2.588 -3.434 7.741 90 HA SER 15 HA SER 15 -2.024 -5.880 9.022 91 HB2 SER 15 1HB SER 15 -4.697 -4.988 7.908 92 HB3 SER 15 2HB SER 15 -4.423 -6.159 9.199 93 HG SER 15 HG SER 15 -4.996 -4.032 9.941 94 H SER 16 H SER 16 -3.348 -5.147 5.794 95 HA SER 16 HA SER 16 -2.220 -7.524 4.689 96 HB2 SER 16 1HB SER 16 -4.224 -8.441 5.875 97 HB3 SER 16 2HB SER 16 -5.247 -7.410 4.878 98 HG SER 16 HG SER 16 -3.599 -9.570 4.066 99 H SER 17 H SER 17 -3.568 -7.893 2.463 100 HA SER 17 HA SER 17 -2.717 -5.933 0.726 101 HB2 SER 17 1HB SER 17 -3.280 -8.282 0.117 102 HB3 SER 17 2HB SER 17 -4.991 -7.891 0.280 103 HG SER 17 HG SER 17 -3.325 -7.468 -1.803 104 H GLU 18 H GLU 18 -6.012 -6.448 1.985 105 HA GLU 18 HA GLU 18 -7.300 -4.478 0.488 106 HB2 GLU 18 1HB GLU 18 -7.985 -5.410 3.287 107 HB3 GLU 18 2HB GLU 18 -9.077 -4.588 2.178 108 HG2 GLU 18 1HG GLU 18 -7.883 -7.335 1.844 109 HG3 GLU 18 2HG GLU 18 -9.564 -6.944 2.199 110 H GLU 19 H GLU 19 -5.650 -4.275 3.610 111 HA GLU 19 HA GLU 19 -6.279 -1.577 4.162 112 HB2 GLU 19 1HB GLU 19 -4.011 -3.349 5.075 113 HB3 GLU 19 2HB GLU 19 -4.175 -1.686 5.618 114 HG2 GLU 19 1HG GLU 19 -5.071 -3.260 7.244 115 HG3 GLU 19 2HG GLU 19 -6.325 -2.192 6.619 116 H CYS 20 H CYS 20 -3.416 -3.070 2.632 117 HA CYS 20 HA CYS 20 -1.993 -0.720 2.094 118 HB2 CYS 20 2HB CYS 20 -1.026 -2.937 1.758 119 HB3 CYS 20 1HB CYS 20 -2.153 -3.258 0.450 120 H GLU 21 H GLU 21 -4.309 -2.424 0.000 121 HA GLU 21 HA GLU 21 -4.377 -0.718 -2.165 122 HB2 GLU 21 1HB GLU 21 -6.607 -2.334 -0.909 123 HB3 GLU 21 2HB GLU 21 -6.742 -1.545 -2.473 124 HG2 GLU 21 1HG GLU 21 -4.653 -3.620 -1.825 125 HG3 GLU 21 2HG GLU 21 -6.216 -3.990 -2.552 126 H ARG 22 H ARG 22 -6.418 -0.619 0.748 127 HA ARG 22 HA ARG 22 -7.968 1.593 0.035 128 HB2 ARG 22 1HB ARG 22 -8.347 -0.064 1.940 129 HB3 ARG 22 2HB ARG 22 -7.187 0.871 2.869 130 HG2 ARG 22 1HG ARG 22 -9.635 2.146 1.673 131 HG3 ARG 22 2HG ARG 22 -9.688 1.319 3.227 132 HD2 ARG 22 1HD ARG 22 -8.001 2.845 4.114 133 HD3 ARG 22 2HD ARG 22 -7.882 3.647 2.548 134 HE ARG 22 HE ARG 22 -10.334 4.186 2.905 135 HH11 ARG 22 1HH1 ARG 22 -8.055 3.865 5.541 136 HH12 ARG 22 2HH1 ARG 22 -8.970 4.865 6.624 137 HH21 ARG 22 1HH2 ARG 22 -11.523 5.542 4.312 138 HH22 ARG 22 2HH2 ARG 22 -10.931 5.831 5.921 139 H LEU 23 H LEU 23 -4.903 1.401 1.808 140 HA LEU 23 HA LEU 23 -4.732 4.103 2.557 141 HB2 LEU 23 1HB LEU 23 -3.335 2.341 3.538 142 HB3 LEU 23 2HB LEU 23 -2.513 2.122 2.005 143 HG LEU 23 HG LEU 23 -1.592 4.416 2.181 144 HD11 LEU 23 1HD1 LEU 23 -1.760 5.640 4.296 145 HD12 LEU 23 2HD1 LEU 23 -2.896 4.436 4.902 146 HD13 LEU 23 3HD1 LEU 23 -3.335 5.449 3.527 147 HD21 LEU 23 1HD2 LEU 23 -0.277 2.524 2.989 148 HD22 LEU 23 2HD2 LEU 23 -1.025 2.670 4.581 149 HD23 LEU 23 3HD2 LEU 23 0.014 3.960 3.971 150 H CYS 24 H CYS 24 -3.133 2.426 -0.161 151 HA CYS 24 HA CYS 24 -1.961 4.699 -1.292 152 HB2 CYS 24 2HB CYS 24 -2.834 2.148 -2.674 153 HB3 CYS 24 1HB CYS 24 -1.693 3.327 -3.321 154 H ARG 25 H ARG 25 -5.106 3.185 -1.912 155 HA ARG 25 HA ARG 25 -5.773 4.907 -4.092 156 HB2 ARG 25 1HB ARG 25 -7.526 3.121 -2.386 157 HB3 ARG 25 2HB ARG 25 -8.051 3.931 -3.859 158 HG2 ARG 25 1HG ARG 25 -6.410 2.677 -5.156 159 HG3 ARG 25 2HG ARG 25 -5.827 1.896 -3.686 160 HD2 ARG 25 1HD ARG 25 -8.075 0.913 -3.364 161 HD3 ARG 25 2HD ARG 25 -8.585 1.631 -4.894 162 HE ARG 25 HE ARG 25 -6.389 -0.345 -4.704 163 HH11 ARG 25 1HH1 ARG 25 -9.328 0.812 -6.208 164 HH12 ARG 25 2HH1 ARG 25 -9.291 -0.375 -7.471 165 HH21 ARG 25 1HH2 ARG 25 -6.331 -1.892 -6.369 166 HH22 ARG 25 2HH2 ARG 25 -7.593 -1.910 -7.564 167 H LYS 26 H LYS 26 -6.166 5.085 -0.624 168 HA LYS 26 HA LYS 26 -8.008 7.265 -0.595 169 HB2 LYS 26 1HB LYS 26 -7.647 5.852 1.389 170 HB3 LYS 26 2HB LYS 26 -5.978 6.400 1.488 171 HG2 LYS 26 1HG LYS 26 -6.782 8.701 1.881 172 HG3 LYS 26 2HG LYS 26 -8.443 8.101 1.852 173 HD2 LYS 26 1HD LYS 26 -7.963 6.671 3.785 174 HD3 LYS 26 2HD LYS 26 -6.294 7.247 3.805 175 HE2 LYS 26 1HE LYS 26 -7.116 9.540 4.210 176 HE3 LYS 26 2HE LYS 26 -8.769 8.928 4.236 177 HZ1 LYS 26 1HZ LYS 26 -6.617 8.129 6.123 178 HZ2 LYS 26 2HZ LYS 26 -8.222 7.594 6.159 179 HZ3 LYS 26 3HZ LYS 26 -7.867 9.219 6.461 180 H LEU 27 H LEU 27 -4.494 6.965 -0.555 181 HA LEU 27 HA LEU 27 -3.956 9.772 -0.503 182 HB2 LEU 27 1HB LEU 27 -2.222 7.471 -1.448 183 HB3 LEU 27 2HB LEU 27 -1.660 9.106 -1.145 184 HG LEU 27 HG LEU 27 -2.767 7.212 0.942 185 HD11 LEU 27 1HD1 LEU 27 -0.489 7.138 1.795 186 HD12 LEU 27 2HD1 LEU 27 0.057 8.171 0.474 187 HD13 LEU 27 3HD1 LEU 27 -0.555 6.551 0.132 188 HD21 LEU 27 1HD2 LEU 27 -2.049 8.912 2.559 189 HD22 LEU 27 2HD2 LEU 27 -3.295 9.530 1.476 190 HD23 LEU 27 3HD2 LEU 27 -1.609 9.988 1.231 191 H GLY 28 H GLY 28 -4.759 7.459 -2.945 192 HA2 GLY 28 1HA GLY 28 -5.607 7.969 -5.067 193 HA3 GLY 28 2HA GLY 28 -4.936 9.589 -4.933 194 H VAL 29 H VAL 29 -2.787 7.116 -4.053 195 HA VAL 29 HA VAL 29 -1.185 7.623 -6.439 196 HB VAL 29 HB VAL 29 -0.478 6.021 -3.964 197 HG11 VAL 29 1HG1 VAL 29 1.268 7.101 -6.183 198 HG12 VAL 29 2HG1 VAL 29 0.865 5.406 -5.908 199 HG13 VAL 29 3HG1 VAL 29 1.843 6.283 -4.730 200 HG21 VAL 29 1HG2 VAL 29 -0.909 8.347 -3.376 201 HG22 VAL 29 2HG2 VAL 29 0.172 8.892 -4.656 202 HG23 VAL 29 3HG2 VAL 29 0.817 8.003 -3.276 203 H THR 30 H THR 30 -1.302 6.305 -8.122 204 HA THR 30 HA THR 30 -2.682 3.780 -7.966 205 HB THR 30 HB THR 30 -1.205 4.987 -10.320 206 HG1 THR 30 1HG THR 30 -3.297 5.947 -9.075 207 HG21 THR 30 1HG2 THR 30 -1.734 2.607 -10.606 208 HG22 THR 30 2HG2 THR 30 -2.733 3.602 -11.666 209 HG23 THR 30 3HG2 THR 30 -3.420 2.924 -10.190 210 H ASN 31 H ASN 31 0.633 4.906 -8.343 211 HA ASN 31 HA ASN 31 1.826 2.340 -8.694 212 HB2 ASN 31 1HB ASN 31 2.994 4.941 -7.645 213 HB3 ASN 31 2HB ASN 31 3.943 3.505 -8.011 214 HD21 ASN 31 1HD2 ASN 31 4.487 5.081 -11.089 215 HD22 ASN 31 2HD2 ASN 31 5.144 4.680 -9.539 216 H CYS 32 H CYS 32 1.270 0.843 -7.198 217 HA CYS 32 HA CYS 32 2.197 1.134 -4.470 218 HB2 CYS 32 2HB CYS 32 0.068 2.299 -4.269 219 HB3 CYS 32 1HB CYS 32 -0.780 1.001 -5.102 220 H ARG 33 H ARG 33 2.521 -0.864 -3.539 221 HA ARG 33 HA ARG 33 1.384 -3.256 -4.798 222 HB2 ARG 33 1HB ARG 33 4.324 -2.603 -4.686 223 HB3 ARG 33 2HB ARG 33 3.787 -4.275 -4.653 224 HG2 ARG 33 1HG ARG 33 3.189 -2.286 -6.841 225 HG3 ARG 33 2HG ARG 33 4.406 -3.564 -6.906 226 HD2 ARG 33 1HD ARG 33 2.564 -5.221 -6.529 227 HD3 ARG 33 2HD ARG 33 1.412 -3.896 -6.698 228 HE ARG 33 HE ARG 33 3.079 -3.908 -8.945 229 HH11 ARG 33 1HH1 ARG 33 0.598 -5.879 -7.464 230 HH12 ARG 33 2HH1 ARG 33 0.088 -6.595 -8.958 231 HH21 ARG 33 1HH2 ARG 33 2.405 -4.839 -10.926 232 HH22 ARG 33 2HH2 ARG 33 1.111 -5.996 -10.934 233 H VAL 34 H VAL 34 1.018 -4.889 -3.363 234 HA VAL 34 HA VAL 34 1.981 -4.452 -0.604 235 HB VAL 34 HB VAL 34 -0.417 -4.227 -0.671 236 HG11 VAL 34 1HG1 VAL 34 -0.904 -5.397 -2.745 237 HG12 VAL 34 2HG1 VAL 34 -1.901 -6.034 -1.437 238 HG13 VAL 34 3HG1 VAL 34 -0.495 -6.940 -1.995 239 HG21 VAL 34 1HG2 VAL 34 0.532 -5.371 1.277 240 HG22 VAL 34 2HG2 VAL 34 0.328 -6.927 0.471 241 HG23 VAL 34 3HG2 VAL 34 -1.086 -5.971 0.912 242 H HIS 35 H HIS 35 3.442 -5.852 0.061 243 HA HIS 35 HA HIS 35 3.527 -8.528 -1.195 244 HB2 HIS 35 1HB HIS 35 5.505 -7.177 -1.736 245 HB3 HIS 35 2HB HIS 35 5.792 -6.875 -0.026 246 HD1 HIS 35 HD1 HIS 35 7.037 -8.648 1.286 247 HD2 HIS 35 HD2 HIS 35 6.081 -9.843 -2.582 248 HE1 HIS 35 HE1 HIS 35 8.265 -10.812 0.920 249 HE2 HIS 35 HE2 HIS 35 7.574 -11.573 -1.376 250 H CYS 36 H CYS 36 3.715 -10.318 0.143 251 HA CYS 36 HA CYS 36 3.862 -9.857 3.035 252 HB2 CYS 36 2HB CYS 36 1.429 -10.118 1.957 253 HB3 CYS 36 1HB CYS 36 1.835 -11.828 2.054 254 H GLY 37 H GLY 37 5.639 -10.950 3.562 255 HA2 GLY 37 1HA GLY 37 6.417 -13.324 2.054 256 HA3 GLY 37 2HA GLY 37 7.397 -12.460 3.229 Start of MODEL 3 1 H1 ALA 1 1H ALA 1 -2.745 -10.293 10.313 2 H2 ALA 1 2H ALA 1 -1.623 -9.871 11.504 3 H3 ALA 1 3H ALA 1 -2.119 -11.476 11.345 4 HA ALA 1 HA ALA 1 0.069 -11.189 10.423 5 HB1 ALA 1 1HB ALA 1 -1.418 -12.845 9.404 6 HB2 ALA 1 2HB ALA 1 -0.356 -12.120 8.196 7 HB3 ALA 1 3HB ALA 1 -2.043 -11.616 8.303 8 HA PRO 2 HA PRO 2 0.209 -6.955 8.788 9 HB2 PRO 2 2HB PRO 2 2.698 -6.348 9.548 10 HB3 PRO 2 1HB PRO 2 1.389 -6.456 10.735 11 HG2 PRO 2 2HG PRO 2 3.473 -8.496 10.034 12 HG3 PRO 2 1HG PRO 2 2.936 -7.962 11.638 13 HD2 PRO 2 2HD PRO 2 2.015 -10.245 10.431 14 HD3 PRO 2 1HD PRO 2 1.057 -9.302 11.592 15 H CYS 3 H CYS 3 1.056 -6.117 6.952 16 HA CYS 3 HA CYS 3 2.987 -7.712 5.422 17 HB2 CYS 3 2HB CYS 3 0.333 -6.634 4.434 18 HB3 CYS 3 1HB CYS 3 1.614 -7.189 3.363 19 H GLU 4 H GLU 4 3.800 -6.403 3.500 20 HA GLU 4 HA GLU 4 4.198 -3.615 4.359 21 HB2 GLU 4 1HB GLU 4 6.037 -5.478 2.829 22 HB3 GLU 4 2HB GLU 4 6.346 -3.763 3.043 23 HG2 GLU 4 1HG GLU 4 7.663 -4.923 4.633 24 HG3 GLU 4 2HG GLU 4 6.352 -4.146 5.515 25 H CYS 5 H CYS 5 3.625 -2.061 3.016 26 HA CYS 5 HA CYS 5 2.739 -2.770 0.292 27 HB2 CYS 5 2HB CYS 5 0.849 -2.257 1.780 28 HB3 CYS 5 1HB CYS 5 1.591 -0.727 2.225 29 H ASP 6 H ASP 6 3.638 -1.598 -1.324 30 HA ASP 6 HA ASP 6 5.457 0.590 -0.598 31 HB2 ASP 6 1HB ASP 6 5.593 -1.614 -2.637 32 HB3 ASP 6 2HB ASP 6 6.444 -0.112 -2.931 33 H VAL 7 H VAL 7 4.625 2.468 -1.137 34 HA VAL 7 HA VAL 7 2.808 2.678 -3.439 35 HB VAL 7 HB VAL 7 2.914 4.479 -1.002 36 HG11 VAL 7 1HG1 VAL 7 0.764 5.332 -1.815 37 HG12 VAL 7 2HG1 VAL 7 0.881 4.283 -3.229 38 HG13 VAL 7 3HG1 VAL 7 2.049 5.584 -2.997 39 HG21 VAL 7 1HG2 VAL 7 0.968 2.249 -1.617 40 HG22 VAL 7 2HG2 VAL 7 0.841 3.384 -0.272 41 HG23 VAL 7 3HG2 VAL 7 2.186 2.247 -0.340 42 H ASN 8 H ASN 8 3.905 3.479 -5.087 43 HA ASN 8 HA ASN 8 4.943 4.981 -6.427 44 HB2 ASN 8 1HB ASN 8 3.664 6.692 -5.200 45 HB3 ASN 8 2HB ASN 8 4.942 6.789 -3.995 46 HD21 ASN 8 1HD2 ASN 8 7.028 8.841 -5.921 47 HD22 ASN 8 2HD2 ASN 8 6.888 7.824 -4.531 48 H GLY 9 H GLY 9 6.403 4.026 -3.463 49 HA2 GLY 9 1HA GLY 9 8.857 3.342 -4.183 50 HA3 GLY 9 2HA GLY 9 9.025 5.095 -4.130 51 H GLU 10 H GLU 10 6.859 4.966 -1.939 52 HA GLU 10 HA GLU 10 8.718 4.686 0.290 53 HB2 GLU 10 1HB GLU 10 7.299 6.661 0.261 54 HB3 GLU 10 2HB GLU 10 5.855 5.670 0.128 55 HG2 GLU 10 1HG GLU 10 6.013 6.476 2.362 56 HG3 GLU 10 2HG GLU 10 6.332 4.745 2.380 57 H THR 11 H THR 11 8.354 3.293 2.067 58 HA THR 11 HA THR 11 6.638 0.973 1.443 59 HB THR 11 HB THR 11 9.120 0.972 3.184 60 HG1 THR 11 1HG THR 11 8.811 0.181 0.451 61 HG21 THR 11 1HG2 THR 11 7.530 -0.842 3.658 62 HG22 THR 11 2HG2 THR 11 8.996 -1.468 2.900 63 HG23 THR 11 3HG2 THR 11 7.521 -1.286 1.952 64 H TYR 12 H TYR 12 4.936 0.812 2.696 65 HA TYR 12 HA TYR 12 5.022 1.755 5.488 66 HB2 TYR 12 2HB TYR 12 2.647 1.443 3.622 67 HB3 TYR 12 1HB TYR 12 2.536 1.907 5.310 68 HD1 TYR 12 1HD TYR 12 3.667 4.095 6.022 69 HD2 TYR 12 2HD TYR 12 2.938 3.071 1.953 70 HE1 TYR 12 1HE TYR 12 3.856 6.465 5.398 71 HE2 TYR 12 2HE TYR 12 3.132 5.440 1.316 72 HH TYR 12 HH TYR 12 4.422 7.795 3.367 73 H THR 13 H THR 13 3.557 0.483 6.956 74 HA THR 13 HA THR 13 3.363 -2.347 6.141 75 HB THR 13 HB THR 13 3.166 -2.754 8.691 76 HG1 THR 13 1HG THR 13 3.493 -0.115 8.712 77 HG21 THR 13 1HG2 THR 13 5.605 -2.906 8.946 78 HG22 THR 13 2HG2 THR 13 5.813 -1.921 7.496 79 HG23 THR 13 3HG2 THR 13 5.070 -3.518 7.382 80 H VAL 14 H VAL 14 1.422 -3.290 6.166 81 HA VAL 14 HA VAL 14 -0.887 -1.755 7.165 82 HB VAL 14 HB VAL 14 -2.178 -2.453 5.166 83 HG11 VAL 14 1HG1 VAL 14 0.308 -0.867 4.499 84 HG12 VAL 14 2HG1 VAL 14 -1.162 -0.226 5.230 85 HG13 VAL 14 3HG1 VAL 14 -1.202 -0.860 3.585 86 HG21 VAL 14 1HG2 VAL 14 -0.905 -4.432 4.537 87 HG22 VAL 14 2HG2 VAL 14 0.493 -3.434 4.136 88 HG23 VAL 14 3HG2 VAL 14 -0.983 -3.308 3.179 89 H SER 15 H SER 15 -2.889 -3.170 7.237 90 HA SER 15 HA SER 15 -2.205 -5.505 8.771 91 HB2 SER 15 1HB SER 15 -4.019 -3.881 9.396 92 HB3 SER 15 2HB SER 15 -4.961 -4.476 8.032 93 HG SER 15 HG SER 15 -4.081 -6.531 9.552 94 H SER 16 H SER 16 -3.325 -4.874 5.531 95 HA SER 16 HA SER 16 -3.141 -7.621 4.767 96 HB2 SER 16 1HB SER 16 -5.893 -6.343 4.829 97 HB3 SER 16 2HB SER 16 -5.512 -7.905 4.109 98 HG SER 16 HG SER 16 -4.627 -8.294 6.399 99 H SER 17 H SER 17 -3.974 -7.873 2.397 100 HA SER 17 HA SER 17 -2.606 -6.008 0.794 101 HB2 SER 17 1HB SER 17 -3.691 -7.216 -1.124 102 HB3 SER 17 2HB SER 17 -2.896 -8.286 0.029 103 HG SER 17 HG SER 17 -4.744 -9.213 0.335 104 H GLU 18 H GLU 18 -6.094 -6.547 1.255 105 HA GLU 18 HA GLU 18 -7.060 -4.427 -0.250 106 HB2 GLU 18 1HB GLU 18 -8.993 -4.410 1.462 107 HB3 GLU 18 2HB GLU 18 -8.728 -5.868 0.524 108 HG2 GLU 18 1HG GLU 18 -7.450 -5.645 3.212 109 HG3 GLU 18 2HG GLU 18 -9.182 -5.959 3.112 110 H GLU 19 H GLU 19 -5.640 -4.425 2.952 111 HA GLU 19 HA GLU 19 -6.330 -1.734 3.588 112 HB2 GLU 19 1HB GLU 19 -4.131 -3.505 4.674 113 HB3 GLU 19 2HB GLU 19 -4.599 -1.957 5.363 114 HG2 GLU 19 1HG GLU 19 -6.448 -4.323 5.095 115 HG3 GLU 19 2HG GLU 19 -5.524 -3.940 6.545 116 H CYS 20 H CYS 20 -3.577 -3.290 2.015 117 HA CYS 20 HA CYS 20 -1.901 -1.048 1.763 118 HB2 CYS 20 2HB CYS 20 -1.022 -3.204 1.221 119 HB3 CYS 20 1HB CYS 20 -2.259 -3.480 0.003 120 H GLU 21 H GLU 21 -4.214 -2.333 -0.672 121 HA GLU 21 HA GLU 21 -3.986 -0.175 -2.454 122 HB2 GLU 21 1HB GLU 21 -6.057 -0.966 -3.458 123 HB3 GLU 21 2HB GLU 21 -5.029 -2.331 -3.057 124 HG2 GLU 21 1HG GLU 21 -6.373 -2.836 -1.124 125 HG3 GLU 21 2HG GLU 21 -7.342 -1.388 -1.373 126 H ARG 22 H ARG 22 -6.148 -0.761 0.226 127 HA ARG 22 HA ARG 22 -7.848 1.418 0.113 128 HB2 ARG 22 1HB ARG 22 -7.933 -0.530 1.692 129 HB3 ARG 22 2HB ARG 22 -6.628 0.209 2.604 130 HG2 ARG 22 1HG ARG 22 -8.053 2.099 3.156 131 HG3 ARG 22 2HG ARG 22 -9.362 1.409 2.186 132 HD2 ARG 22 1HD ARG 22 -9.216 -0.639 3.652 133 HD3 ARG 22 2HD ARG 22 -8.123 0.273 4.690 134 HE ARG 22 HE ARG 22 -10.558 1.673 4.262 135 HH11 ARG 22 1HH1 ARG 22 -9.137 -0.977 6.068 136 HH12 ARG 22 2HH1 ARG 22 -10.301 -0.883 7.358 137 HH21 ARG 22 1HH2 ARG 22 -12.101 1.781 5.950 138 HH22 ARG 22 2HH2 ARG 22 -11.968 0.695 7.298 139 H LEU 23 H LEU 23 -4.682 1.168 1.706 140 HA LEU 23 HA LEU 23 -4.498 3.799 2.645 141 HB2 LEU 23 1HB LEU 23 -3.029 1.906 3.315 142 HB3 LEU 23 2HB LEU 23 -2.258 1.964 1.746 143 HG LEU 23 HG LEU 23 -2.203 4.386 3.539 144 HD11 LEU 23 1HD1 LEU 23 -0.281 2.056 3.658 145 HD12 LEU 23 2HD1 LEU 23 -1.422 2.525 4.919 146 HD13 LEU 23 3HD1 LEU 23 -0.092 3.601 4.494 147 HD21 LEU 23 1HD2 LEU 23 -0.113 4.834 2.349 148 HD22 LEU 23 2HD2 LEU 23 -1.447 4.628 1.216 149 HD23 LEU 23 3HD2 LEU 23 -0.286 3.324 1.456 150 H CYS 24 H CYS 24 -3.428 2.330 -0.401 151 HA CYS 24 HA CYS 24 -2.355 4.605 -1.619 152 HB2 CYS 24 2HB CYS 24 -3.785 2.270 -2.913 153 HB3 CYS 24 1HB CYS 24 -2.739 3.417 -3.746 154 H ARG 25 H ARG 25 -5.694 3.476 -1.384 155 HA ARG 25 HA ARG 25 -6.741 5.403 -3.224 156 HB2 ARG 25 1HB ARG 25 -8.095 3.677 -1.135 157 HB3 ARG 25 2HB ARG 25 -8.970 4.741 -2.230 158 HG2 ARG 25 1HG ARG 25 -7.259 2.379 -3.002 159 HG3 ARG 25 2HG ARG 25 -9.020 2.479 -3.071 160 HD2 ARG 25 1HD ARG 25 -7.078 4.148 -4.681 161 HD3 ARG 25 2HD ARG 25 -8.019 2.786 -5.286 162 HE ARG 25 HE ARG 25 -10.025 4.103 -4.920 163 HH11 ARG 25 1HH1 ARG 25 -6.989 5.867 -4.881 164 HH12 ARG 25 2HH1 ARG 25 -7.727 7.389 -5.263 165 HH21 ARG 25 1HH2 ARG 25 -10.974 6.112 -5.457 166 HH22 ARG 25 2HH2 ARG 25 -9.972 7.523 -5.611 167 H LYS 26 H LYS 26 -6.132 5.315 0.215 168 HA LYS 26 HA LYS 26 -7.591 7.667 0.880 169 HB2 LYS 26 1HB LYS 26 -6.873 5.982 2.561 170 HB3 LYS 26 2HB LYS 26 -5.198 6.443 2.289 171 HG2 LYS 26 1HG LYS 26 -6.074 7.459 4.324 172 HG3 LYS 26 2HG LYS 26 -5.664 8.692 3.129 173 HD2 LYS 26 1HD LYS 26 -8.029 8.869 2.494 174 HD3 LYS 26 2HD LYS 26 -8.445 7.627 3.678 175 HE2 LYS 26 1HE LYS 26 -7.190 10.304 4.314 176 HE3 LYS 26 2HE LYS 26 -8.902 9.913 4.489 177 HZ1 LYS 26 1HZ LYS 26 -6.645 8.679 5.974 178 HZ2 LYS 26 2HZ LYS 26 -8.251 8.164 6.078 179 HZ3 LYS 26 3HZ LYS 26 -7.827 9.713 6.603 180 H LEU 27 H LEU 27 -4.197 7.061 0.028 181 HA LEU 27 HA LEU 27 -3.434 9.822 0.214 182 HB2 LEU 27 1HB LEU 27 -2.049 7.490 -1.125 183 HB3 LEU 27 2HB LEU 27 -1.337 9.077 -0.890 184 HG LEU 27 HG LEU 27 -2.124 7.120 1.279 185 HD11 LEU 27 1HD1 LEU 27 -0.089 6.503 0.089 186 HD12 LEU 27 2HD1 LEU 27 0.275 7.029 1.732 187 HD13 LEU 27 3HD1 LEU 27 0.579 8.110 0.370 188 HD21 LEU 27 1HD2 LEU 27 -0.903 9.876 1.535 189 HD22 LEU 27 2HD2 LEU 27 -1.139 8.724 2.849 190 HD23 LEU 27 3HD2 LEU 27 -2.535 9.411 2.021 191 H GLY 28 H GLY 28 -4.567 7.705 -2.328 192 HA2 GLY 28 1HA GLY 28 -5.582 8.386 -4.330 193 HA3 GLY 28 2HA GLY 28 -4.906 9.994 -4.107 194 H VAL 29 H VAL 29 -3.278 6.849 -4.087 195 HA VAL 29 HA VAL 29 -1.735 7.677 -6.466 196 HB VAL 29 HB VAL 29 -0.672 6.105 -4.096 197 HG11 VAL 29 1HG1 VAL 29 0.404 5.454 -6.179 198 HG12 VAL 29 2HG1 VAL 29 1.524 6.375 -5.177 199 HG13 VAL 29 3HG1 VAL 29 0.743 7.143 -6.560 200 HG21 VAL 29 1HG2 VAL 29 -0.111 8.964 -4.909 201 HG22 VAL 29 2HG2 VAL 29 0.680 8.091 -3.595 202 HG23 VAL 29 3HG2 VAL 29 -1.045 8.446 -3.504 203 H THR 30 H THR 30 -1.305 6.077 -7.980 204 HA THR 30 HA THR 30 -2.962 3.673 -7.763 205 HB THR 30 HB THR 30 -1.497 4.750 -10.188 206 HG1 THR 30 1HG THR 30 -4.183 5.081 -10.241 207 HG21 THR 30 1HG2 THR 30 -3.085 3.375 -11.459 208 HG22 THR 30 2HG2 THR 30 -3.796 2.793 -9.954 209 HG23 THR 30 3HG2 THR 30 -2.129 2.379 -10.361 210 H ASN 31 H ASN 31 0.384 4.674 -8.034 211 HA ASN 31 HA ASN 31 1.397 2.063 -8.699 212 HB2 ASN 31 1HB ASN 31 2.825 4.577 -7.782 213 HB3 ASN 31 2HB ASN 31 3.636 3.107 -8.315 214 HD21 ASN 31 1HD2 ASN 31 3.246 5.671 -11.058 215 HD22 ASN 31 2HD2 ASN 31 3.732 5.807 -9.407 216 H CYS 32 H CYS 32 1.152 0.507 -7.227 217 HA CYS 32 HA CYS 32 2.372 0.847 -4.593 218 HB2 CYS 32 2HB CYS 32 -0.482 -0.132 -4.945 219 HB3 CYS 32 1HB CYS 32 0.417 -0.077 -3.432 220 H ARG 33 H ARG 33 2.740 -1.217 -3.531 221 HA ARG 33 HA ARG 33 2.334 -3.652 -5.106 222 HB2 ARG 33 1HB ARG 33 4.591 -2.701 -5.713 223 HB3 ARG 33 2HB ARG 33 5.059 -2.863 -4.026 224 HG2 ARG 33 1HG ARG 33 5.938 -4.705 -5.331 225 HG3 ARG 33 2HG ARG 33 4.744 -5.295 -4.175 226 HD2 ARG 33 1HD ARG 33 4.494 -6.349 -6.382 227 HD3 ARG 33 2HD ARG 33 3.065 -5.419 -5.929 228 HE ARG 33 HE ARG 33 5.126 -4.441 -7.809 229 HH11 ARG 33 1HH1 ARG 33 1.782 -4.790 -6.853 230 HH12 ARG 33 2HH1 ARG 33 1.166 -3.885 -8.199 231 HH21 ARG 33 1HH2 ARG 33 4.327 -3.248 -9.587 232 HH22 ARG 33 2HH2 ARG 33 2.617 -2.995 -9.751 233 H VAL 34 H VAL 34 2.339 -5.562 -3.790 234 HA VAL 34 HA VAL 34 2.172 -4.975 -0.899 235 HB VAL 34 HB VAL 34 0.582 -6.795 -0.675 236 HG11 VAL 34 1HG1 VAL 34 -0.213 -4.934 -2.919 237 HG12 VAL 34 2HG1 VAL 34 -0.301 -4.575 -1.194 238 HG13 VAL 34 3HG1 VAL 34 -1.317 -5.841 -1.882 239 HG21 VAL 34 1HG2 VAL 34 1.376 -8.311 -2.393 240 HG22 VAL 34 2HG2 VAL 34 0.898 -7.179 -3.657 241 HG23 VAL 34 3HG2 VAL 34 -0.331 -7.959 -2.662 242 H HIS 35 H HIS 35 3.054 -6.407 0.572 243 HA HIS 35 HA HIS 35 4.535 -8.748 -0.419 244 HB2 HIS 35 1HB HIS 35 5.716 -6.809 1.594 245 HB3 HIS 35 2HB HIS 35 6.504 -8.203 0.871 246 HD1 HIS 35 HD1 HIS 35 7.711 -7.834 -1.327 247 HD2 HIS 35 HD2 HIS 35 5.462 -4.560 -0.119 248 HE1 HIS 35 HE1 HIS 35 8.407 -5.945 -2.830 249 HE2 HIS 35 HE2 HIS 35 7.226 -3.925 -1.887 250 H CYS 36 H CYS 36 4.006 -10.488 0.831 251 HA CYS 36 HA CYS 36 3.447 -10.016 3.681 252 HB2 CYS 36 2HB CYS 36 1.761 -11.743 1.841 253 HB3 CYS 36 1HB CYS 36 1.604 -11.693 3.595 254 H GLY 37 H GLY 37 5.247 -10.888 4.479 255 HA2 GLY 37 1HA GLY 37 6.788 -12.474 5.080 256 HA3 GLY 37 2HA GLY 37 5.701 -13.691 4.418 Start of MODEL 4 1 H1 ALA 1 1H ALA 1 -0.276 -8.400 11.932 2 H2 ALA 1 2H ALA 1 -0.742 -9.998 11.636 3 H3 ALA 1 3H ALA 1 -0.976 -8.814 10.450 4 HA ALA 1 HA ALA 1 1.631 -9.786 11.459 5 HB1 ALA 1 1HB ALA 1 0.474 -11.406 10.023 6 HB2 ALA 1 2HB ALA 1 1.913 -10.758 9.242 7 HB3 ALA 1 3HB ALA 1 0.316 -10.179 8.765 8 HA PRO 2 HA PRO 2 3.147 -5.926 9.876 9 HB2 PRO 2 2HB PRO 2 5.762 -6.444 9.684 10 HB3 PRO 2 1HB PRO 2 4.953 -6.451 11.256 11 HG2 PRO 2 2HG PRO 2 5.690 -8.772 9.502 12 HG3 PRO 2 1HG PRO 2 5.912 -8.582 11.252 13 HD2 PRO 2 2HD PRO 2 3.818 -9.963 10.132 14 HD3 PRO 2 1HD PRO 2 3.732 -9.164 11.715 15 H CYS 3 H CYS 3 1.879 -7.358 7.843 16 HA CYS 3 HA CYS 3 3.489 -7.815 5.576 17 HB2 CYS 3 2HB CYS 3 0.562 -7.080 5.818 18 HB3 CYS 3 1HB CYS 3 1.339 -7.527 4.300 19 H GLU 4 H GLU 4 3.685 -6.458 3.662 20 HA GLU 4 HA GLU 4 4.108 -3.684 4.559 21 HB2 GLU 4 1HB GLU 4 5.765 -5.471 2.781 22 HB3 GLU 4 2HB GLU 4 6.062 -3.746 2.962 23 HG2 GLU 4 1HG GLU 4 6.602 -3.986 5.259 24 HG3 GLU 4 2HG GLU 4 6.002 -5.643 5.297 25 H CYS 5 H CYS 5 3.471 -2.056 3.369 26 HA CYS 5 HA CYS 5 2.354 -2.556 0.684 27 HB2 CYS 5 2HB CYS 5 0.681 -1.788 2.351 28 HB3 CYS 5 1HB CYS 5 1.660 -0.361 2.665 29 H ASP 6 H ASP 6 3.079 -1.257 -0.973 30 HA ASP 6 HA ASP 6 5.334 0.541 -0.323 31 HB2 ASP 6 1HB ASP 6 6.023 -1.492 -1.555 32 HB3 ASP 6 2HB ASP 6 4.882 -1.093 -2.832 33 H VAL 7 H VAL 7 5.412 2.503 -1.356 34 HA VAL 7 HA VAL 7 3.203 3.254 -3.136 35 HB VAL 7 HB VAL 7 4.099 4.953 -0.785 36 HG11 VAL 7 1HG1 VAL 7 2.184 6.377 -1.395 37 HG12 VAL 7 2HG1 VAL 7 1.876 5.351 -2.797 38 HG13 VAL 7 3HG1 VAL 7 3.375 6.276 -2.693 39 HG21 VAL 7 1HG2 VAL 7 2.833 3.047 0.048 40 HG22 VAL 7 2HG2 VAL 7 1.548 3.360 -1.121 41 HG23 VAL 7 3HG2 VAL 7 1.864 4.516 0.174 42 H ASN 8 H ASN 8 4.461 3.476 -4.920 43 HA ASN 8 HA ASN 8 5.865 4.425 -6.423 44 HB2 ASN 8 1HB ASN 8 4.834 6.523 -5.625 45 HB3 ASN 8 2HB ASN 8 6.060 6.647 -4.369 46 HD21 ASN 8 1HD2 ASN 8 6.863 7.752 -8.197 47 HD22 ASN 8 2HD2 ASN 8 5.413 6.906 -7.783 48 H GLY 9 H GLY 9 6.895 3.058 -3.701 49 HA2 GLY 9 1HA GLY 9 9.244 2.131 -3.979 50 HA3 GLY 9 2HA GLY 9 9.735 3.817 -4.031 51 H GLU 10 H GLU 10 7.702 4.553 -1.983 52 HA GLU 10 HA GLU 10 9.336 4.054 0.330 53 HB2 GLU 10 1HB GLU 10 6.615 5.376 0.121 54 HB3 GLU 10 2HB GLU 10 7.632 5.366 1.556 55 HG2 GLU 10 1HG GLU 10 9.395 6.533 0.151 56 HG3 GLU 10 2HG GLU 10 8.135 6.759 -1.063 57 H THR 11 H THR 11 8.806 2.822 2.153 58 HA THR 11 HA THR 11 6.780 0.743 1.625 59 HB THR 11 HB THR 11 9.303 0.466 3.283 60 HG1 THR 11 1HG THR 11 8.976 0.486 0.617 61 HG21 THR 11 1HG2 THR 11 8.838 -1.951 3.110 62 HG22 THR 11 2HG2 THR 11 7.342 -1.596 2.247 63 HG23 THR 11 3HG2 THR 11 7.526 -1.100 3.930 64 H TYR 12 H TYR 12 5.268 0.370 3.086 65 HA TYR 12 HA TYR 12 5.421 1.572 5.768 66 HB2 TYR 12 2HB TYR 12 3.037 1.561 3.880 67 HB3 TYR 12 1HB TYR 12 2.960 2.042 5.571 68 HD1 TYR 12 1HD TYR 12 3.789 4.208 6.282 69 HD2 TYR 12 2HD TYR 12 4.171 2.982 2.219 70 HE1 TYR 12 1HE TYR 12 4.324 6.520 5.638 71 HE2 TYR 12 2HE TYR 12 4.711 5.290 1.569 72 HH TYR 12 HH TYR 12 4.461 7.529 2.341 73 H THR 13 H THR 13 3.564 0.538 7.148 74 HA THR 13 HA THR 13 3.508 -2.354 6.564 75 HB THR 13 HB THR 13 3.119 -2.573 9.092 76 HG1 THR 13 1HG THR 13 3.845 -0.800 10.333 77 HG21 THR 13 1HG2 THR 13 5.509 -2.465 9.607 78 HG22 THR 13 2HG2 THR 13 5.791 -1.494 8.162 79 HG23 THR 13 3HG2 THR 13 5.251 -3.168 8.009 80 H VAL 14 H VAL 14 1.626 -3.380 6.510 81 HA VAL 14 HA VAL 14 -0.830 -2.099 7.449 82 HB VAL 14 HB VAL 14 -2.012 -2.756 5.349 83 HG11 VAL 14 1HG1 VAL 14 0.250 -0.797 4.927 84 HG12 VAL 14 2HG1 VAL 14 -1.315 -0.437 5.656 85 HG13 VAL 14 3HG1 VAL 14 -1.222 -0.902 3.958 86 HG21 VAL 14 1HG2 VAL 14 -0.468 -4.472 4.566 87 HG22 VAL 14 2HG2 VAL 14 0.779 -3.253 4.292 88 HG23 VAL 14 3HG2 VAL 14 -0.695 -3.240 3.325 89 H SER 15 H SER 15 -2.535 -3.621 7.818 90 HA SER 15 HA SER 15 -1.666 -6.089 8.834 91 HB2 SER 15 1HB SER 15 -3.708 -4.793 9.577 92 HB3 SER 15 2HB SER 15 -4.528 -5.382 8.131 93 HG SER 15 HG SER 15 -3.263 -7.218 9.848 94 H SER 16 H SER 16 -2.927 -5.186 5.690 95 HA SER 16 HA SER 16 -1.996 -7.580 4.496 96 HB2 SER 16 1HB SER 16 -4.016 -8.542 5.499 97 HB3 SER 16 2HB SER 16 -5.006 -7.296 4.741 98 HG SER 16 HG SER 16 -5.141 -9.010 3.391 99 H SER 17 H SER 17 -3.011 -7.745 2.167 100 HA SER 17 HA SER 17 -2.152 -5.445 0.803 101 HB2 SER 17 1HB SER 17 -3.781 -7.785 -0.225 102 HB3 SER 17 2HB SER 17 -2.892 -6.632 -1.222 103 HG SER 17 HG SER 17 -1.981 -8.840 -0.031 104 H GLU 18 H GLU 18 -5.363 -6.571 1.714 105 HA GLU 18 HA GLU 18 -6.928 -4.784 0.236 106 HB2 GLU 18 1HB GLU 18 -7.451 -5.825 3.042 107 HB3 GLU 18 2HB GLU 18 -8.645 -5.066 2.003 108 HG2 GLU 18 1HG GLU 18 -9.047 -7.378 1.873 109 HG3 GLU 18 2HG GLU 18 -8.250 -6.942 0.360 110 H GLU 19 H GLU 19 -5.416 -4.464 3.404 111 HA GLU 19 HA GLU 19 -6.310 -1.851 3.991 112 HB2 GLU 19 1HB GLU 19 -5.306 -3.593 5.579 113 HB3 GLU 19 2HB GLU 19 -3.733 -3.108 4.965 114 HG2 GLU 19 1HG GLU 19 -4.126 -1.976 7.033 115 HG3 GLU 19 2HG GLU 19 -4.206 -0.791 5.730 116 H CYS 20 H CYS 20 -3.408 -3.136 2.412 117 HA CYS 20 HA CYS 20 -2.011 -0.743 2.019 118 HB2 CYS 20 2HB CYS 20 -0.963 -2.875 1.557 119 HB3 CYS 20 1HB CYS 20 -2.121 -3.217 0.277 120 H GLU 21 H GLU 21 -4.283 -2.359 -0.222 121 HA GLU 21 HA GLU 21 -4.263 -0.351 -2.182 122 HB2 GLU 21 1HB GLU 21 -6.353 -2.422 -1.495 123 HB3 GLU 21 2HB GLU 21 -6.473 -1.352 -2.886 124 HG2 GLU 21 1HG GLU 21 -4.197 -2.269 -3.582 125 HG3 GLU 21 2HG GLU 21 -4.466 -3.525 -2.372 126 H ARG 22 H ARG 22 -6.179 -0.764 0.720 127 HA ARG 22 HA ARG 22 -8.043 1.290 0.370 128 HB2 ARG 22 1HB ARG 22 -8.109 -0.386 2.187 129 HB3 ARG 22 2HB ARG 22 -6.699 0.358 2.922 130 HG2 ARG 22 1HG ARG 22 -8.004 2.426 3.274 131 HG3 ARG 22 2HG ARG 22 -9.424 1.615 2.600 132 HD2 ARG 22 1HD ARG 22 -9.253 -0.097 4.361 133 HD3 ARG 22 2HD ARG 22 -7.872 0.758 5.044 134 HE ARG 22 HE ARG 22 -10.331 2.292 4.814 135 HH11 ARG 22 1HH1 ARG 22 -8.203 0.379 6.825 136 HH12 ARG 22 2HH1 ARG 22 -8.964 0.856 8.311 137 HH21 ARG 22 1HH2 ARG 22 -11.309 2.962 6.769 138 HH22 ARG 22 2HH2 ARG 22 -10.728 2.339 8.284 139 H LEU 23 H LEU 23 -4.789 1.330 1.785 140 HA LEU 23 HA LEU 23 -4.660 4.078 2.359 141 HB2 LEU 23 1HB LEU 23 -3.086 2.439 3.278 142 HB3 LEU 23 2HB LEU 23 -2.431 2.149 1.676 143 HG LEU 23 HG LEU 23 -1.638 4.510 1.609 144 HD11 LEU 23 1HD1 LEU 23 -1.585 5.824 3.664 145 HD12 LEU 23 2HD1 LEU 23 -2.520 4.581 4.496 146 HD13 LEU 23 3HD1 LEU 23 -3.242 5.490 3.167 147 HD21 LEU 23 1HD2 LEU 23 0.225 4.206 3.162 148 HD22 LEU 23 2HD2 LEU 23 -0.121 2.721 2.280 149 HD23 LEU 23 3HD2 LEU 23 -0.642 2.891 3.956 150 H CYS 24 H CYS 24 -3.637 2.242 -0.507 151 HA CYS 24 HA CYS 24 -2.503 4.266 -2.015 152 HB2 CYS 24 2HB CYS 24 -4.191 1.951 -3.008 153 HB3 CYS 24 1HB CYS 24 -3.128 2.932 -4.012 154 H ARG 25 H ARG 25 -5.889 3.189 -2.085 155 HA ARG 25 HA ARG 25 -6.725 5.173 -3.935 156 HB2 ARG 25 1HB ARG 25 -8.256 3.327 -2.097 157 HB3 ARG 25 2HB ARG 25 -9.046 4.419 -3.230 158 HG2 ARG 25 1HG ARG 25 -8.056 3.298 -5.107 159 HG3 ARG 25 2HG ARG 25 -7.048 2.312 -4.047 160 HD2 ARG 25 1HD ARG 25 -8.969 1.149 -3.194 161 HD3 ARG 25 2HD ARG 25 -10.063 2.246 -4.037 162 HE ARG 25 HE ARG 25 -9.770 1.035 -5.953 163 HH11 ARG 25 1HH1 ARG 25 -7.218 0.141 -3.723 164 HH12 ARG 25 2HH1 ARG 25 -6.715 -1.232 -4.660 165 HH21 ARG 25 1HH2 ARG 25 -9.088 -0.756 -7.183 166 HH22 ARG 25 2HH2 ARG 25 -7.752 -1.721 -6.632 167 H LYS 26 H LYS 26 -6.630 5.015 -0.429 168 HA LYS 26 HA LYS 26 -8.245 7.261 0.109 169 HB2 LYS 26 1HB LYS 26 -7.599 5.672 1.859 170 HB3 LYS 26 2HB LYS 26 -5.912 6.136 1.685 171 HG2 LYS 26 1HG LYS 26 -6.901 7.158 3.658 172 HG3 LYS 26 2HG LYS 26 -6.436 8.389 2.483 173 HD2 LYS 26 1HD LYS 26 -8.781 8.543 1.735 174 HD3 LYS 26 2HD LYS 26 -9.237 7.319 2.923 175 HE2 LYS 26 1HE LYS 26 -8.532 8.794 4.735 176 HE3 LYS 26 2HE LYS 26 -8.015 10.008 3.564 177 HZ1 LYS 26 1HZ LYS 26 -10.799 9.045 3.929 178 HZ2 LYS 26 2HZ LYS 26 -10.300 10.221 2.822 179 HZ3 LYS 26 3HZ LYS 26 -10.187 10.521 4.483 180 H LEU 27 H LEU 27 -4.746 6.948 -0.403 181 HA LEU 27 HA LEU 27 -4.253 9.769 -0.205 182 HB2 LEU 27 1HB LEU 27 -2.539 7.554 -1.356 183 HB3 LEU 27 2HB LEU 27 -1.998 9.196 -1.053 184 HG LEU 27 HG LEU 27 -2.887 7.216 1.058 185 HD11 LEU 27 1HD1 LEU 27 -0.722 6.635 0.071 186 HD12 LEU 27 2HD1 LEU 27 -0.537 7.194 1.733 187 HD13 LEU 27 3HD1 LEU 27 -0.130 8.267 0.393 188 HD21 LEU 27 1HD2 LEU 27 -2.087 8.895 2.666 189 HD22 LEU 27 2HD2 LEU 27 -3.434 9.500 1.703 190 HD23 LEU 27 3HD2 LEU 27 -1.788 10.018 1.338 191 H GLY 28 H GLY 28 -5.162 7.556 -2.702 192 HA2 GLY 28 1HA GLY 28 -6.110 8.177 -4.768 193 HA3 GLY 28 2HA GLY 28 -5.360 9.761 -4.619 194 H VAL 29 H VAL 29 -3.310 7.137 -3.909 195 HA VAL 29 HA VAL 29 -1.807 7.666 -6.368 196 HB VAL 29 HB VAL 29 -0.552 7.890 -4.286 197 HG11 VAL 29 1HG1 VAL 29 -0.117 5.996 -2.811 198 HG12 VAL 29 2HG1 VAL 29 -1.167 4.972 -3.788 199 HG13 VAL 29 3HG1 VAL 29 -1.845 6.334 -2.894 200 HG21 VAL 29 1HG2 VAL 29 1.334 6.383 -4.798 201 HG22 VAL 29 2HG2 VAL 29 0.670 7.136 -6.248 202 HG23 VAL 29 3HG2 VAL 29 0.287 5.455 -5.875 203 H THR 30 H THR 30 -1.569 6.198 -7.944 204 HA THR 30 HA THR 30 -2.900 3.608 -7.657 205 HB THR 30 HB THR 30 -2.639 3.422 -10.102 206 HG1 THR 30 1HG THR 30 -1.034 4.528 -10.916 207 HG21 THR 30 1HG2 THR 30 -4.620 4.580 -9.224 208 HG22 THR 30 2HG2 THR 30 -4.106 5.277 -10.761 209 HG23 THR 30 3HG2 THR 30 -3.741 6.110 -9.250 210 H ASN 31 H ASN 31 0.261 5.018 -8.372 211 HA ASN 31 HA ASN 31 1.562 2.512 -8.803 212 HB2 ASN 31 1HB ASN 31 2.629 5.296 -8.310 213 HB3 ASN 31 2HB ASN 31 3.686 3.905 -8.524 214 HD21 ASN 31 1HD2 ASN 31 3.243 3.680 -11.980 215 HD22 ASN 31 2HD2 ASN 31 3.812 2.911 -10.537 216 H CYS 32 H CYS 32 1.001 1.263 -7.054 217 HA CYS 32 HA CYS 32 2.776 1.542 -4.773 218 HB2 CYS 32 2HB CYS 32 0.987 1.299 -3.111 219 HB3 CYS 32 1HB CYS 32 0.769 2.773 -4.043 220 H ARG 33 H ARG 33 3.094 -0.477 -3.704 221 HA ARG 33 HA ARG 33 2.167 -2.782 -5.310 222 HB2 ARG 33 1HB ARG 33 4.916 -2.377 -4.107 223 HB3 ARG 33 2HB ARG 33 4.385 -3.794 -4.998 224 HG2 ARG 33 1HG ARG 33 4.405 -2.692 -7.032 225 HG3 ARG 33 2HG ARG 33 4.274 -1.097 -6.289 226 HD2 ARG 33 1HD ARG 33 6.523 -1.613 -7.257 227 HD3 ARG 33 2HD ARG 33 6.543 -1.166 -5.551 228 HE ARG 33 HE ARG 33 6.411 -4.001 -5.969 229 HH11 ARG 33 1HH1 ARG 33 8.575 -1.257 -5.817 230 HH12 ARG 33 2HH1 ARG 33 9.954 -2.206 -5.377 231 HH21 ARG 33 1HH2 ARG 33 8.210 -5.258 -5.352 232 HH22 ARG 33 2HH2 ARG 33 9.747 -4.490 -5.100 233 H VAL 34 H VAL 34 1.841 -4.740 -4.229 234 HA VAL 34 HA VAL 34 1.657 -4.500 -1.292 235 HB VAL 34 HB VAL 34 -0.151 -6.173 -1.373 236 HG11 VAL 34 1HG1 VAL 34 -1.893 -4.751 -2.339 237 HG12 VAL 34 2HG1 VAL 34 -0.661 -3.805 -3.177 238 HG13 VAL 34 3HG1 VAL 34 -0.728 -3.800 -1.415 239 HG21 VAL 34 1HG2 VAL 34 -1.184 -6.795 -3.524 240 HG22 VAL 34 2HG2 VAL 34 0.476 -7.376 -3.395 241 HG23 VAL 34 3HG2 VAL 34 0.113 -5.956 -4.377 242 H HIS 35 H HIS 35 2.749 -5.914 -0.068 243 HA HIS 35 HA HIS 35 3.183 -8.605 -1.041 244 HB2 HIS 35 1HB HIS 35 5.626 -8.544 -0.269 245 HB3 HIS 35 2HB HIS 35 5.251 -7.798 -1.810 246 HD1 HIS 35 HD1 HIS 35 7.275 -7.233 1.002 247 HD2 HIS 35 HD2 HIS 35 4.832 -4.790 -1.311 248 HE1 HIS 35 HE1 HIS 35 8.151 -4.900 1.323 249 HE2 HIS 35 HE2 HIS 35 6.805 -3.485 -0.265 250 H CYS 36 H CYS 36 2.496 -9.891 0.474 251 HA CYS 36 HA CYS 36 2.730 -9.123 3.301 252 HB2 CYS 36 2HB CYS 36 0.532 -8.355 2.673 253 HB3 CYS 36 1HB CYS 36 0.179 -9.863 1.841 254 H GLY 37 H GLY 37 4.092 -10.713 3.870 255 HA2 GLY 37 1HA GLY 37 3.557 -13.116 4.749 256 HA3 GLY 37 2HA GLY 37 3.554 -13.465 3.022 Start of MODEL 5 1 H1 ALA 1 1H ALA 1 -1.863 -11.674 10.271 2 H2 ALA 1 2H ALA 1 -1.269 -13.230 9.994 3 H3 ALA 1 3H ALA 1 -1.751 -12.265 8.694 4 HA ALA 1 HA ALA 1 0.494 -11.632 10.510 5 HB1 ALA 1 1HB ALA 1 0.540 -12.769 7.707 6 HB2 ALA 1 2HB ALA 1 0.993 -13.620 9.185 7 HB3 ALA 1 3HB ALA 1 1.951 -12.249 8.629 8 HA PRO 2 HA PRO 2 -0.047 -7.581 8.705 9 HB2 PRO 2 2HB PRO 2 2.389 -6.514 9.243 10 HB3 PRO 2 1HB PRO 2 1.169 -6.775 10.497 11 HG2 PRO 2 2HG PRO 2 3.530 -8.486 9.769 12 HG3 PRO 2 1HG PRO 2 2.970 -7.980 11.377 13 HD2 PRO 2 2HD PRO 2 2.408 -10.425 10.368 14 HD3 PRO 2 1HD PRO 2 1.271 -9.555 11.419 15 H CYS 3 H CYS 3 0.620 -6.372 6.905 16 HA CYS 3 HA CYS 3 2.295 -7.869 5.001 17 HB2 CYS 3 2HB CYS 3 -0.126 -6.124 4.572 18 HB3 CYS 3 1HB CYS 3 0.970 -6.532 3.259 19 H GLU 4 H GLU 4 3.412 -6.596 3.407 20 HA GLU 4 HA GLU 4 4.350 -3.982 4.401 21 HB2 GLU 4 1HB GLU 4 5.990 -5.959 4.247 22 HB3 GLU 4 2HB GLU 4 5.804 -5.847 2.513 23 HG2 GLU 4 1HG GLU 4 6.685 -3.576 2.545 24 HG3 GLU 4 2HG GLU 4 6.861 -3.667 4.301 25 H CYS 5 H CYS 5 4.394 -2.292 2.856 26 HA CYS 5 HA CYS 5 3.313 -2.904 0.209 27 HB2 CYS 5 2HB CYS 5 2.174 -0.909 2.174 28 HB3 CYS 5 1HB CYS 5 1.748 -0.962 0.472 29 H ASP 6 H ASP 6 3.915 -1.540 -1.392 30 HA ASP 6 HA ASP 6 5.773 0.651 -0.702 31 HB2 ASP 6 1HB ASP 6 6.930 -1.015 -2.010 32 HB3 ASP 6 2HB ASP 6 5.602 -1.113 -3.164 33 H VAL 7 H VAL 7 5.322 2.651 -1.542 34 HA VAL 7 HA VAL 7 3.009 2.974 -3.306 35 HB VAL 7 HB VAL 7 3.322 4.517 -0.710 36 HG11 VAL 7 1HG1 VAL 7 1.136 5.497 -1.280 37 HG12 VAL 7 2HG1 VAL 7 1.154 4.631 -2.816 38 HG13 VAL 7 3HG1 VAL 7 2.361 5.875 -2.491 39 HG21 VAL 7 1HG2 VAL 7 2.557 2.243 -0.252 40 HG22 VAL 7 2HG2 VAL 7 1.270 2.419 -1.447 41 HG23 VAL 7 3HG2 VAL 7 1.254 3.400 0.018 42 H ASN 8 H ASN 8 4.046 3.865 -4.976 43 HA ASN 8 HA ASN 8 5.075 5.421 -6.258 44 HB2 ASN 8 1HB ASN 8 3.881 7.156 -5.124 45 HB3 ASN 8 2HB ASN 8 4.930 7.050 -3.715 46 HD21 ASN 8 1HD2 ASN 8 7.372 9.180 -4.972 47 HD22 ASN 8 2HD2 ASN 8 6.888 8.086 -3.721 48 H GLY 9 H GLY 9 6.577 4.445 -3.297 49 HA2 GLY 9 1HA GLY 9 9.036 3.787 -4.060 50 HA3 GLY 9 2HA GLY 9 9.175 5.538 -3.950 51 H GLU 10 H GLU 10 7.003 5.264 -1.751 52 HA GLU 10 HA GLU 10 8.870 4.872 0.465 53 HB2 GLU 10 1HB GLU 10 6.010 5.879 0.380 54 HB3 GLU 10 2HB GLU 10 6.948 5.709 1.855 55 HG2 GLU 10 1HG GLU 10 6.948 8.007 1.169 56 HG3 GLU 10 2HG GLU 10 8.571 7.347 0.990 57 H THR 11 H THR 11 8.506 3.327 2.127 58 HA THR 11 HA THR 11 6.625 1.172 1.385 59 HB THR 11 HB THR 11 9.211 0.916 2.955 60 HG1 THR 11 1HG THR 11 8.713 0.990 0.303 61 HG21 THR 11 1HG2 THR 11 7.516 -0.758 3.619 62 HG22 THR 11 2HG2 THR 11 8.852 -1.507 2.747 63 HG23 THR 11 3HG2 THR 11 7.320 -1.222 1.925 64 H TYR 12 H TYR 12 5.216 0.434 2.871 65 HA TYR 12 HA TYR 12 5.276 1.515 5.608 66 HB2 TYR 12 2HB TYR 12 2.798 1.335 3.857 67 HB3 TYR 12 1HB TYR 12 2.872 1.951 5.508 68 HD1 TYR 12 1HD TYR 12 3.813 4.171 5.965 69 HD2 TYR 12 2HD TYR 12 3.535 2.685 1.981 70 HE1 TYR 12 1HE TYR 12 4.190 6.439 5.096 71 HE2 TYR 12 2HE TYR 12 3.911 4.951 1.108 72 HH TYR 12 HH TYR 12 3.759 7.228 1.758 73 H THR 13 H THR 13 3.970 0.206 7.112 74 HA THR 13 HA THR 13 3.502 -2.541 6.135 75 HB THR 13 HB THR 13 3.623 -3.198 8.577 76 HG1 THR 13 1HG THR 13 3.377 -1.159 9.526 77 HG21 THR 13 1HG2 THR 13 5.491 -3.629 7.057 78 HG22 THR 13 2HG2 THR 13 6.080 -3.198 8.664 79 HG23 THR 13 3HG2 THR 13 6.126 -2.010 7.360 80 H VAL 14 H VAL 14 1.500 -3.368 6.306 81 HA VAL 14 HA VAL 14 -0.568 -1.776 7.679 82 HB VAL 14 HB VAL 14 -2.104 -2.101 5.782 83 HG11 VAL 14 1HG1 VAL 14 -1.098 -0.505 4.213 84 HG12 VAL 14 2HG1 VAL 14 0.478 -0.766 4.960 85 HG13 VAL 14 3HG1 VAL 14 -0.826 -0.024 5.888 86 HG21 VAL 14 1HG2 VAL 14 -1.157 -4.151 4.865 87 HG22 VAL 14 2HG2 VAL 14 0.287 -3.277 4.352 88 HG23 VAL 14 3HG2 VAL 14 -1.274 -2.913 3.613 89 H SER 15 H SER 15 -2.729 -3.114 7.504 90 HA SER 15 HA SER 15 -2.387 -5.549 8.864 91 HB2 SER 15 1HB SER 15 -4.428 -4.262 9.147 92 HB3 SER 15 2HB SER 15 -4.811 -4.416 7.434 93 HG SER 15 HG SER 15 -5.250 -6.555 7.714 94 H SER 16 H SER 16 -4.093 -5.247 5.754 95 HA SER 16 HA SER 16 -2.617 -7.547 4.699 96 HB2 SER 16 1HB SER 16 -5.646 -7.441 4.687 97 HB3 SER 16 2HB SER 16 -4.613 -8.792 4.218 98 HG SER 16 HG SER 16 -5.411 -9.165 6.276 99 H SER 17 H SER 17 -3.822 -7.990 2.376 100 HA SER 17 HA SER 17 -3.062 -5.984 0.652 101 HB2 SER 17 1HB SER 17 -5.286 -7.986 0.158 102 HB3 SER 17 2HB SER 17 -4.299 -7.179 -1.065 103 HG SER 17 HG SER 17 -2.461 -8.233 -0.018 104 H GLU 18 H GLU 18 -6.186 -6.508 2.168 105 HA GLU 18 HA GLU 18 -7.800 -4.671 0.877 106 HB2 GLU 18 1HB GLU 18 -7.775 -5.094 3.872 107 HB3 GLU 18 2HB GLU 18 -9.143 -4.628 2.873 108 HG2 GLU 18 1HG GLU 18 -9.343 -6.793 1.959 109 HG3 GLU 18 2HG GLU 18 -7.766 -7.285 2.579 110 H GLU 19 H GLU 19 -6.044 -4.124 3.908 111 HA GLU 19 HA GLU 19 -6.454 -1.373 4.077 112 HB2 GLU 19 1HB GLU 19 -5.615 -2.974 5.877 113 HB3 GLU 19 2HB GLU 19 -4.026 -2.831 5.139 114 HG2 GLU 19 1HG GLU 19 -4.155 -1.349 7.016 115 HG3 GLU 19 2HG GLU 19 -4.101 -0.389 5.537 116 H CYS 20 H CYS 20 -4.022 -3.260 2.418 117 HA CYS 20 HA CYS 20 -2.157 -1.227 1.904 118 HB2 CYS 20 2HB CYS 20 -1.928 -3.772 1.593 119 HB3 CYS 20 1HB CYS 20 -2.685 -3.521 0.024 120 H GLU 21 H GLU 21 -4.627 -2.567 -0.341 121 HA GLU 21 HA GLU 21 -4.233 -0.643 -2.348 122 HB2 GLU 21 1HB GLU 21 -6.396 -1.349 -3.243 123 HB3 GLU 21 2HB GLU 21 -5.414 -2.729 -2.792 124 HG2 GLU 21 1HG GLU 21 -6.726 -3.074 -0.806 125 HG3 GLU 21 2HG GLU 21 -7.640 -1.597 -1.109 126 H ARG 22 H ARG 22 -6.453 -0.763 0.374 127 HA ARG 22 HA ARG 22 -7.889 1.553 -0.017 128 HB2 ARG 22 1HB ARG 22 -6.955 0.062 2.420 129 HB3 ARG 22 2HB ARG 22 -7.889 1.525 2.566 130 HG2 ARG 22 1HG ARG 22 -8.770 -0.942 1.095 131 HG3 ARG 22 2HG ARG 22 -9.283 -0.483 2.719 132 HD2 ARG 22 1HD ARG 22 -10.305 1.548 1.837 133 HD3 ARG 22 2HD ARG 22 -9.756 1.139 0.212 134 HE ARG 22 HE ARG 22 -11.195 -0.985 0.670 135 HH11 ARG 22 1HH1 ARG 22 -11.946 2.274 1.697 136 HH12 ARG 22 2HH1 ARG 22 -13.660 2.060 1.564 137 HH21 ARG 22 1HH2 ARG 22 -13.436 -1.287 0.520 138 HH22 ARG 22 2HH2 ARG 22 -14.516 0.016 0.915 139 H LEU 23 H LEU 23 -4.697 1.111 1.480 140 HA LEU 23 HA LEU 23 -4.325 3.802 2.255 141 HB2 LEU 23 1HB LEU 23 -3.009 1.792 3.033 142 HB3 LEU 23 2HB LEU 23 -2.177 1.810 1.493 143 HG LEU 23 HG LEU 23 -2.109 4.195 3.351 144 HD11 LEU 23 1HD1 LEU 23 -1.290 2.275 4.617 145 HD12 LEU 23 2HD1 LEU 23 0.031 3.367 4.203 146 HD13 LEU 23 3HD1 LEU 23 -0.187 1.866 3.303 147 HD21 LEU 23 1HD2 LEU 23 -0.276 3.256 1.138 148 HD22 LEU 23 2HD2 LEU 23 0.003 4.662 2.166 149 HD23 LEU 23 3HD2 LEU 23 -1.380 4.631 1.073 150 H CYS 24 H CYS 24 -3.420 2.003 -0.671 151 HA CYS 24 HA CYS 24 -2.123 3.999 -2.099 152 HB2 CYS 24 2HB CYS 24 -4.061 1.995 -3.291 153 HB3 CYS 24 1HB CYS 24 -2.700 2.764 -4.101 154 H ARG 25 H ARG 25 -5.580 3.206 -2.082 155 HA ARG 25 HA ARG 25 -6.332 5.373 -3.788 156 HB2 ARG 25 1HB ARG 25 -7.989 3.521 -2.052 157 HB3 ARG 25 2HB ARG 25 -8.653 4.639 -3.239 158 HG2 ARG 25 1HG ARG 25 -7.701 3.443 -5.049 159 HG3 ARG 25 2HG ARG 25 -6.658 2.509 -3.978 160 HD2 ARG 25 1HD ARG 25 -8.471 1.123 -4.753 161 HD3 ARG 25 2HD ARG 25 -8.650 1.414 -3.025 162 HE ARG 25 HE ARG 25 -10.207 3.336 -4.113 163 HH11 ARG 25 1HH1 ARG 25 -9.996 -0.113 -4.686 164 HH12 ARG 25 2HH1 ARG 25 -11.687 -0.293 -5.029 165 HH21 ARG 25 1HH2 ARG 25 -12.453 3.095 -4.545 166 HH22 ARG 25 2HH2 ARG 25 -13.088 1.529 -4.938 167 H LYS 26 H LYS 26 -5.780 5.061 -0.424 168 HA LYS 26 HA LYS 26 -7.403 7.240 0.470 169 HB2 LYS 26 1HB LYS 26 -6.527 5.397 1.941 170 HB3 LYS 26 2HB LYS 26 -4.918 6.085 1.772 171 HG2 LYS 26 1HG LYS 26 -5.715 8.165 2.823 172 HG3 LYS 26 2HG LYS 26 -7.310 7.432 3.027 173 HD2 LYS 26 1HD LYS 26 -6.201 5.610 4.360 174 HD3 LYS 26 2HD LYS 26 -4.710 6.551 4.291 175 HE2 LYS 26 1HE LYS 26 -5.878 6.943 6.391 176 HE3 LYS 26 2HE LYS 26 -5.846 8.415 5.419 177 HZ1 LYS 26 1HZ LYS 26 -8.143 6.541 5.574 178 HZ2 LYS 26 2HZ LYS 26 -8.110 8.022 4.755 179 HZ3 LYS 26 3HZ LYS 26 -8.016 7.985 6.439 180 H LEU 27 H LEU 27 -3.953 6.857 -0.312 181 HA LEU 27 HA LEU 27 -3.424 9.684 -0.111 182 HB2 LEU 27 1HB LEU 27 -1.778 7.450 -1.317 183 HB3 LEU 27 2HB LEU 27 -1.213 9.092 -1.069 184 HG LEU 27 HG LEU 27 -1.972 7.119 1.099 185 HD11 LEU 27 1HD1 LEU 27 0.708 8.265 0.311 186 HD12 LEU 27 2HD1 LEU 27 0.160 6.613 0.023 187 HD13 LEU 27 3HD1 LEU 27 0.398 7.188 1.673 188 HD21 LEU 27 1HD2 LEU 27 -2.573 9.364 1.791 189 HD22 LEU 27 2HD2 LEU 27 -0.987 9.970 1.313 190 HD23 LEU 27 3HD2 LEU 27 -1.132 8.839 2.658 191 H GLY 28 H GLY 28 -4.590 7.519 -2.498 192 HA2 GLY 28 1HA GLY 28 -5.684 8.173 -4.467 193 HA3 GLY 28 2HA GLY 28 -4.868 9.728 -4.390 194 H VAL 29 H VAL 29 -2.811 7.083 -3.860 195 HA VAL 29 HA VAL 29 -1.670 7.449 -6.557 196 HB VAL 29 HB VAL 29 -0.290 6.316 -4.119 197 HG11 VAL 29 1HG1 VAL 29 1.770 6.727 -5.392 198 HG12 VAL 29 2HG1 VAL 29 0.806 7.296 -6.755 199 HG13 VAL 29 3HG1 VAL 29 0.689 5.616 -6.234 200 HG21 VAL 29 1HG2 VAL 29 -0.907 8.634 -3.671 201 HG22 VAL 29 2HG2 VAL 29 -0.177 9.141 -5.195 202 HG23 VAL 29 3HG2 VAL 29 0.836 8.498 -3.902 203 H THR 30 H THR 30 -2.215 5.865 -7.893 204 HA THR 30 HA THR 30 -3.048 3.265 -7.004 205 HB THR 30 HB THR 30 -2.438 4.180 -9.830 206 HG1 THR 30 1HG THR 30 -4.810 4.355 -8.250 207 HG21 THR 30 1HG2 THR 30 -4.201 1.944 -8.793 208 HG22 THR 30 2HG2 THR 30 -2.645 1.740 -9.598 209 HG23 THR 30 3HG2 THR 30 -4.016 2.407 -10.485 210 H ASN 31 H ASN 31 -0.097 4.727 -8.055 211 HA ASN 31 HA ASN 31 1.362 2.371 -8.682 212 HB2 ASN 31 1HB ASN 31 2.095 4.617 -9.400 213 HB3 ASN 31 2HB ASN 31 2.359 5.076 -7.722 214 HD21 ASN 31 1HD2 ASN 31 5.522 3.994 -9.461 215 HD22 ASN 31 2HD2 ASN 31 4.229 5.041 -9.927 216 H CYS 32 H CYS 32 0.952 0.867 -7.043 217 HA CYS 32 HA CYS 32 2.716 1.131 -4.768 218 HB2 CYS 32 2HB CYS 32 0.991 0.596 -3.095 219 HB3 CYS 32 1HB CYS 32 0.682 2.141 -3.876 220 H ARG 33 H ARG 33 2.920 -0.916 -3.579 221 HA ARG 33 HA ARG 33 2.173 -3.289 -5.150 222 HB2 ARG 33 1HB ARG 33 4.925 -2.565 -4.112 223 HB3 ARG 33 2HB ARG 33 4.485 -4.200 -4.585 224 HG2 ARG 33 1HG ARG 33 4.454 -1.781 -6.390 225 HG3 ARG 33 2HG ARG 33 5.689 -3.042 -6.365 226 HD2 ARG 33 1HD ARG 33 3.938 -4.704 -6.939 227 HD3 ARG 33 2HD ARG 33 2.773 -3.387 -7.068 228 HE ARG 33 HE ARG 33 4.654 -2.589 -8.787 229 HH11 ARG 33 1HH1 ARG 33 3.117 -5.699 -8.350 230 HH12 ARG 33 2HH1 ARG 33 3.275 -6.157 -10.015 231 HH21 ARG 33 1HH2 ARG 33 4.851 -3.185 -10.990 232 HH22 ARG 33 2HH2 ARG 33 4.238 -4.721 -11.521 233 H VAL 34 H VAL 34 2.024 -5.213 -3.959 234 HA VAL 34 HA VAL 34 1.794 -4.858 -1.037 235 HB VAL 34 HB VAL 34 0.324 -6.865 -2.775 236 HG11 VAL 34 1HG1 VAL 34 -0.030 -6.138 0.136 237 HG12 VAL 34 2HG1 VAL 34 0.668 -7.634 -0.481 238 HG13 VAL 34 3HG1 VAL 34 -1.032 -7.270 -0.772 239 HG21 VAL 34 1HG2 VAL 34 -0.695 -4.296 -1.549 240 HG22 VAL 34 2HG2 VAL 34 -1.679 -5.494 -2.391 241 HG23 VAL 34 3HG2 VAL 34 -0.437 -4.598 -3.268 242 H HIS 35 H HIS 35 3.030 -6.117 0.227 243 HA HIS 35 HA HIS 35 4.239 -8.563 -0.866 244 HB2 HIS 35 1HB HIS 35 5.905 -6.763 -1.102 245 HB3 HIS 35 2HB HIS 35 5.715 -6.340 0.592 246 HD1 HIS 35 HD1 HIS 35 7.902 -6.936 1.610 247 HD2 HIS 35 HD2 HIS 35 6.487 -9.929 -0.909 248 HE1 HIS 35 HE1 HIS 35 9.519 -8.844 1.849 249 HE2 HIS 35 HE2 HIS 35 8.689 -10.614 0.262 250 H CYS 36 H CYS 36 3.147 -9.991 0.407 251 HA CYS 36 HA CYS 36 3.008 -9.456 3.311 252 HB2 CYS 36 2HB CYS 36 1.164 -11.162 1.608 253 HB3 CYS 36 1HB CYS 36 1.011 -10.902 3.342 254 H GLY 37 H GLY 37 3.808 -10.941 4.696 255 HA2 GLY 37 1HA GLY 37 4.245 -13.406 5.024 256 HA3 GLY 37 2HA GLY 37 5.119 -13.304 3.498 Start of MODEL 6 1 H1 ALA 1 1H ALA 1 3.079 -11.247 11.982 2 H2 ALA 1 2H ALA 1 2.890 -12.918 11.830 3 H3 ALA 1 3H ALA 1 1.532 -11.916 11.881 4 HA ALA 1 HA ALA 1 3.583 -11.947 9.755 5 HB1 ALA 1 1HB ALA 1 1.855 -12.919 8.335 6 HB2 ALA 1 2HB ALA 1 0.728 -12.932 9.694 7 HB3 ALA 1 3HB ALA 1 2.169 -13.947 9.734 8 HA PRO 2 HA PRO 2 1.589 -7.902 9.202 9 HB2 PRO 2 2HB PRO 2 3.780 -6.505 8.641 10 HB3 PRO 2 1HB PRO 2 3.477 -7.051 10.295 11 HG2 PRO 2 2HG PRO 2 5.342 -8.172 8.241 12 HG3 PRO 2 1HG PRO 2 5.578 -7.995 9.990 13 HD2 PRO 2 2HD PRO 2 4.765 -10.339 8.660 14 HD3 PRO 2 1HD PRO 2 4.649 -10.039 10.405 15 H CYS 3 H CYS 3 2.041 -6.281 7.255 16 HA CYS 3 HA CYS 3 2.754 -7.718 4.808 17 HB2 CYS 3 2HB CYS 3 0.310 -7.858 4.936 18 HB3 CYS 3 1HB CYS 3 0.207 -6.108 5.142 19 H GLU 4 H GLU 4 3.306 -6.320 3.047 20 HA GLU 4 HA GLU 4 4.307 -3.712 3.988 21 HB2 GLU 4 1HB GLU 4 5.478 -5.479 1.825 22 HB3 GLU 4 2HB GLU 4 6.164 -3.982 2.440 23 HG2 GLU 4 1HG GLU 4 6.476 -5.032 4.630 24 HG3 GLU 4 2HG GLU 4 5.800 -6.534 4.003 25 H CYS 5 H CYS 5 3.862 -1.962 2.818 26 HA CYS 5 HA CYS 5 2.430 -2.256 0.262 27 HB2 CYS 5 2HB CYS 5 1.102 -1.579 2.443 28 HB3 CYS 5 1HB CYS 5 1.850 -0.012 2.186 29 H ASP 6 H ASP 6 3.541 -1.238 -1.335 30 HA ASP 6 HA ASP 6 5.702 0.580 -0.538 31 HB2 ASP 6 1HB ASP 6 5.485 -1.569 -2.638 32 HB3 ASP 6 2HB ASP 6 6.660 -0.285 -2.789 33 H VAL 7 H VAL 7 5.194 2.577 -1.011 34 HA VAL 7 HA VAL 7 3.640 3.178 -3.448 35 HB VAL 7 HB VAL 7 3.781 4.807 -0.894 36 HG11 VAL 7 1HG1 VAL 7 2.014 5.119 -3.327 37 HG12 VAL 7 2HG1 VAL 7 3.363 6.166 -2.881 38 HG13 VAL 7 3HG1 VAL 7 1.929 6.092 -1.856 39 HG21 VAL 7 1HG2 VAL 7 2.600 2.710 -0.497 40 HG22 VAL 7 2HG2 VAL 7 1.557 3.018 -1.885 41 HG23 VAL 7 3HG2 VAL 7 1.480 4.072 -0.474 42 H ASN 8 H ASN 8 4.748 4.218 -4.954 43 HA ASN 8 HA ASN 8 6.153 5.632 -6.033 44 HB2 ASN 8 1HB ASN 8 5.147 7.322 -4.519 45 HB3 ASN 8 2HB ASN 8 6.413 7.005 -3.341 46 HD21 ASN 8 1HD2 ASN 8 8.793 9.019 -4.881 47 HD22 ASN 8 2HD2 ASN 8 8.428 7.873 -3.636 48 H GLY 9 H GLY 9 7.171 3.491 -3.812 49 HA2 GLY 9 1HA GLY 9 9.387 2.490 -4.256 50 HA3 GLY 9 2HA GLY 9 10.034 4.124 -4.209 51 H GLU 10 H GLU 10 8.113 4.737 -1.963 52 HA GLU 10 HA GLU 10 9.887 3.890 0.168 53 HB2 GLU 10 1HB GLU 10 7.473 5.718 0.148 54 HB3 GLU 10 2HB GLU 10 8.384 5.328 1.601 55 HG2 GLU 10 1HG GLU 10 9.137 7.441 0.816 56 HG3 GLU 10 2HG GLU 10 10.414 6.266 0.514 57 H THR 11 H THR 11 9.029 2.955 2.171 58 HA THR 11 HA THR 11 6.984 0.931 1.520 59 HB THR 11 HB THR 11 9.336 0.668 3.415 60 HG1 THR 11 1HG THR 11 8.929 -0.025 0.700 61 HG21 THR 11 1HG2 THR 11 7.411 -0.736 4.051 62 HG22 THR 11 2HG2 THR 11 8.750 -1.720 3.455 63 HG23 THR 11 3HG2 THR 11 7.357 -1.405 2.421 64 H TYR 12 H TYR 12 5.206 1.036 2.640 65 HA TYR 12 HA TYR 12 5.260 1.931 5.453 66 HB2 TYR 12 2HB TYR 12 2.880 2.101 3.570 67 HB3 TYR 12 1HB TYR 12 3.016 2.796 5.184 68 HD1 TYR 12 1HD TYR 12 4.501 4.789 5.548 69 HD2 TYR 12 2HD TYR 12 3.725 3.252 1.649 70 HE1 TYR 12 1HE TYR 12 5.311 6.891 4.561 71 HE2 TYR 12 2HE TYR 12 4.525 5.353 0.657 72 HH TYR 12 HH TYR 12 4.820 7.698 1.281 73 H THR 13 H THR 13 4.040 0.570 6.899 74 HA THR 13 HA THR 13 3.496 -2.065 5.695 75 HB THR 13 HB THR 13 3.995 -2.906 8.104 76 HG1 THR 13 1HG THR 13 5.432 -0.433 8.127 77 HG21 THR 13 1HG2 THR 13 6.205 -1.858 6.324 78 HG22 THR 13 2HG2 THR 13 5.408 -3.425 6.184 79 HG23 THR 13 3HG2 THR 13 6.403 -3.064 7.595 80 H VAL 14 H VAL 14 1.712 -3.148 6.156 81 HA VAL 14 HA VAL 14 -0.261 -2.003 8.026 82 HB VAL 14 HB VAL 14 -2.071 -2.419 6.420 83 HG11 VAL 14 1HG1 VAL 14 -1.088 -0.184 6.468 84 HG12 VAL 14 2HG1 VAL 14 -1.608 -0.597 4.834 85 HG13 VAL 14 3HG1 VAL 14 0.103 -0.666 5.259 86 HG21 VAL 14 1HG2 VAL 14 -1.582 -2.960 4.071 87 HG22 VAL 14 2HG2 VAL 14 -1.051 -4.245 5.156 88 HG23 VAL 14 3HG2 VAL 14 0.128 -3.127 4.468 89 H SER 15 H SER 15 -2.207 -3.736 8.066 90 HA SER 15 HA SER 15 -0.907 -6.262 8.738 91 HB2 SER 15 1HB SER 15 -2.473 -5.113 10.352 92 HB3 SER 15 2HB SER 15 -3.789 -5.470 9.236 93 HG SER 15 HG SER 15 -3.165 -7.003 11.098 94 H SER 16 H SER 16 -3.684 -5.126 6.763 95 HA SER 16 HA SER 16 -3.738 -7.795 5.494 96 HB2 SER 16 1HB SER 16 -5.988 -5.769 5.564 97 HB3 SER 16 2HB SER 16 -6.083 -7.468 5.096 98 HG SER 16 HG SER 16 -5.723 -6.340 7.661 99 H SER 17 H SER 17 -3.815 -8.013 3.288 100 HA SER 17 HA SER 17 -2.656 -6.126 1.588 101 HB2 SER 17 1HB SER 17 -2.788 -8.514 1.009 102 HB3 SER 17 2HB SER 17 -4.544 -8.412 0.909 103 HG SER 17 HG SER 17 -3.966 -8.160 -1.142 104 H GLU 18 H GLU 18 -6.007 -6.771 2.425 105 HA GLU 18 HA GLU 18 -7.342 -5.054 0.701 106 HB2 GLU 18 1HB GLU 18 -8.299 -6.696 2.424 107 HB3 GLU 18 2HB GLU 18 -8.027 -5.451 3.628 108 HG2 GLU 18 1HG GLU 18 -9.773 -5.073 1.201 109 HG3 GLU 18 2HG GLU 18 -10.367 -5.636 2.759 110 H GLU 19 H GLU 19 -5.854 -4.429 3.842 111 HA GLU 19 HA GLU 19 -6.584 -1.711 4.020 112 HB2 GLU 19 1HB GLU 19 -4.421 -3.298 5.413 113 HB3 GLU 19 2HB GLU 19 -4.860 -1.656 5.851 114 HG2 GLU 19 1HG GLU 19 -7.140 -2.409 6.365 115 HG3 GLU 19 2HG GLU 19 -6.680 -4.057 5.940 116 H CYS 20 H CYS 20 -3.664 -3.317 2.780 117 HA CYS 20 HA CYS 20 -2.106 -1.018 2.343 118 HB2 CYS 20 2HB CYS 20 -1.044 -3.135 2.097 119 HB3 CYS 20 1HB CYS 20 -2.218 -3.670 0.900 120 H GLU 21 H GLU 21 -4.007 -2.772 -0.130 121 HA GLU 21 HA GLU 21 -3.897 -0.862 -2.136 122 HB2 GLU 21 1HB GLU 21 -6.086 -2.847 -1.470 123 HB3 GLU 21 2HB GLU 21 -6.038 -1.913 -2.961 124 HG2 GLU 21 1HG GLU 21 -3.794 -3.737 -2.111 125 HG3 GLU 21 2HG GLU 21 -5.165 -4.288 -3.070 126 H ARG 22 H ARG 22 -6.253 -1.240 0.456 127 HA ARG 22 HA ARG 22 -8.051 0.777 -0.169 128 HB2 ARG 22 1HB ARG 22 -8.435 -0.876 1.585 129 HB3 ARG 22 2HB ARG 22 -7.123 -0.204 2.541 130 HG2 ARG 22 1HG ARG 22 -8.393 1.887 2.792 131 HG3 ARG 22 2HG ARG 22 -9.716 1.177 1.859 132 HD2 ARG 22 1HD ARG 22 -9.995 -0.570 3.531 133 HD3 ARG 22 2HD ARG 22 -8.622 0.057 4.443 134 HE ARG 22 HE ARG 22 -10.490 2.119 4.150 135 HH11 ARG 22 1HH1 ARG 22 -10.185 -0.965 5.773 136 HH12 ARG 22 2HH1 ARG 22 -11.243 -0.527 7.075 137 HH21 ARG 22 1HH2 ARG 22 -11.891 2.696 5.845 138 HH22 ARG 22 2HH2 ARG 22 -12.226 1.556 7.114 139 H LEU 23 H LEU 23 -5.096 0.946 1.803 140 HA LEU 23 HA LEU 23 -5.290 3.648 2.530 141 HB2 LEU 23 1HB LEU 23 -3.757 2.136 3.656 142 HB3 LEU 23 2HB LEU 23 -2.858 1.885 2.172 143 HG LEU 23 HG LEU 23 -2.147 4.261 2.216 144 HD11 LEU 23 1HD1 LEU 23 -3.559 4.332 4.886 145 HD12 LEU 23 2HD1 LEU 23 -3.995 5.236 3.436 146 HD13 LEU 23 3HD1 LEU 23 -2.479 5.582 4.265 147 HD21 LEU 23 1HD2 LEU 23 -1.501 2.699 4.723 148 HD22 LEU 23 2HD2 LEU 23 -0.558 4.045 4.075 149 HD23 LEU 23 3HD2 LEU 23 -0.698 2.546 3.157 150 H CYS 24 H CYS 24 -3.393 2.123 -0.070 151 HA CYS 24 HA CYS 24 -2.349 4.493 -1.119 152 HB2 CYS 24 2HB CYS 24 -2.873 1.864 -2.520 153 HB3 CYS 24 1HB CYS 24 -1.825 3.147 -3.119 154 H ARG 25 H ARG 25 -5.388 2.829 -1.842 155 HA ARG 25 HA ARG 25 -6.020 4.585 -4.046 156 HB2 ARG 25 1HB ARG 25 -7.845 2.684 -2.547 157 HB3 ARG 25 2HB ARG 25 -8.219 3.489 -4.067 158 HG2 ARG 25 1HG ARG 25 -6.205 1.309 -3.563 159 HG3 ARG 25 2HG ARG 25 -7.629 1.264 -4.602 160 HD2 ARG 25 1HD ARG 25 -6.567 2.958 -6.062 161 HD3 ARG 25 2HD ARG 25 -5.128 2.904 -5.047 162 HE ARG 25 HE ARG 25 -5.775 1.127 -7.128 163 HH11 ARG 25 1HH1 ARG 25 -4.479 1.024 -3.867 164 HH12 ARG 25 2HH1 ARG 25 -3.518 -0.392 -4.163 165 HH21 ARG 25 1HH2 ARG 25 -4.507 -0.730 -7.507 166 HH22 ARG 25 2HH2 ARG 25 -3.540 -1.388 -6.220 167 H LYS 26 H LYS 26 -6.515 4.556 -0.611 168 HA LYS 26 HA LYS 26 -8.524 6.621 -0.609 169 HB2 LYS 26 1HB LYS 26 -8.219 4.904 1.222 170 HB3 LYS 26 2HB LYS 26 -6.749 5.748 1.689 171 HG2 LYS 26 1HG LYS 26 -8.022 7.747 2.217 172 HG3 LYS 26 2HG LYS 26 -9.506 6.978 1.651 173 HD2 LYS 26 1HD LYS 26 -9.454 6.877 4.057 174 HD3 LYS 26 2HD LYS 26 -9.219 5.247 3.423 175 HE2 LYS 26 1HE LYS 26 -7.683 5.614 5.244 176 HE3 LYS 26 2HE LYS 26 -6.774 5.522 3.738 177 HZ1 LYS 26 1HZ LYS 26 -6.652 7.936 3.704 178 HZ2 LYS 26 2HZ LYS 26 -6.000 7.333 5.141 179 HZ3 LYS 26 3HZ LYS 26 -7.539 8.026 5.140 180 H LEU 27 H LEU 27 -5.059 6.422 -0.595 181 HA LEU 27 HA LEU 27 -4.630 9.242 -0.155 182 HB2 LEU 27 1HB LEU 27 -2.797 7.134 -1.337 183 HB3 LEU 27 2HB LEU 27 -2.316 8.762 -0.898 184 HG LEU 27 HG LEU 27 -3.293 6.662 1.051 185 HD11 LEU 27 1HD1 LEU 27 -1.109 6.100 0.079 186 HD12 LEU 27 2HD1 LEU 27 -0.989 6.514 1.788 187 HD13 LEU 27 3HD1 LEU 27 -0.496 7.682 0.562 188 HD21 LEU 27 1HD2 LEU 27 -2.520 8.217 2.769 189 HD22 LEU 27 2HD2 LEU 27 -3.793 8.935 1.783 190 HD23 LEU 27 3HD2 LEU 27 -2.111 9.397 1.524 191 H GLY 28 H GLY 28 -5.081 7.048 -2.826 192 HA2 GLY 28 1HA GLY 28 -5.941 7.596 -4.932 193 HA3 GLY 28 2HA GLY 28 -5.559 9.285 -4.636 194 H VAL 29 H VAL 29 -3.204 6.802 -4.060 195 HA VAL 29 HA VAL 29 -1.571 7.900 -6.243 196 HB VAL 29 HB VAL 29 -0.646 6.180 -3.928 197 HG11 VAL 29 1HG1 VAL 29 1.583 7.032 -4.529 198 HG12 VAL 29 2HG1 VAL 29 0.877 7.895 -5.896 199 HG13 VAL 29 3HG1 VAL 29 0.844 6.131 -5.853 200 HG21 VAL 29 1HG2 VAL 29 0.180 8.248 -2.895 201 HG22 VAL 29 2HG2 VAL 29 -1.576 8.271 -3.069 202 HG23 VAL 29 3HG2 VAL 29 -0.568 9.191 -4.185 203 H THR 30 H THR 30 -0.804 6.622 -7.865 204 HA THR 30 HA THR 30 -2.139 4.047 -8.181 205 HB THR 30 HB THR 30 -0.499 5.596 -10.203 206 HG1 THR 30 1HG THR 30 -2.803 6.280 -9.168 207 HG21 THR 30 1HG2 THR 30 -1.717 4.238 -11.858 208 HG22 THR 30 2HG2 THR 30 -2.512 3.357 -10.552 209 HG23 THR 30 3HG2 THR 30 -0.765 3.226 -10.771 210 H ASN 31 H ASN 31 1.119 5.357 -7.854 211 HA ASN 31 HA ASN 31 2.402 2.921 -8.738 212 HB2 ASN 31 1HB ASN 31 4.517 4.085 -8.189 213 HB3 ASN 31 2HB ASN 31 3.477 5.043 -9.233 214 HD21 ASN 31 1HD2 ASN 31 4.264 7.688 -7.105 215 HD22 ASN 31 2HD2 ASN 31 4.479 6.959 -8.657 216 H CYS 32 H CYS 32 0.772 2.181 -6.764 217 HA CYS 32 HA CYS 32 2.503 1.723 -4.413 218 HB2 CYS 32 2HB CYS 32 0.540 2.890 -3.704 219 HB3 CYS 32 1HB CYS 32 -0.509 1.866 -4.681 220 H ARG 33 H ARG 33 2.726 -0.379 -3.673 221 HA ARG 33 HA ARG 33 1.560 -2.543 -5.305 222 HB2 ARG 33 1HB ARG 33 4.454 -2.295 -4.429 223 HB3 ARG 33 2HB ARG 33 3.755 -3.709 -5.205 224 HG2 ARG 33 1HG ARG 33 3.748 -1.005 -6.526 225 HG3 ARG 33 2HG ARG 33 5.114 -2.112 -6.656 226 HD2 ARG 33 1HD ARG 33 3.710 -2.382 -8.583 227 HD3 ARG 33 2HD ARG 33 3.586 -3.826 -7.582 228 HE ARG 33 HE ARG 33 1.526 -1.819 -7.186 229 HH11 ARG 33 1HH1 ARG 33 2.472 -4.772 -8.802 230 HH12 ARG 33 2HH1 ARG 33 0.843 -5.242 -9.176 231 HH21 ARG 33 1HH2 ARG 33 -0.629 -2.423 -7.677 232 HH22 ARG 33 2HH2 ARG 33 -0.927 -3.907 -8.531 233 H VAL 34 H VAL 34 1.193 -4.491 -4.156 234 HA VAL 34 HA VAL 34 1.381 -4.200 -1.225 235 HB VAL 34 HB VAL 34 -0.936 -4.186 -1.995 236 HG11 VAL 34 1HG1 VAL 34 -1.936 -6.159 -3.078 237 HG12 VAL 34 2HG1 VAL 34 -0.334 -6.885 -3.211 238 HG13 VAL 34 3HG1 VAL 34 -0.705 -5.400 -4.087 239 HG21 VAL 34 1HG2 VAL 34 -1.813 -6.005 -0.615 240 HG22 VAL 34 2HG2 VAL 34 -0.438 -5.226 0.167 241 HG23 VAL 34 3HG2 VAL 34 -0.233 -6.789 -0.627 242 H HIS 35 H HIS 35 2.254 -5.806 -0.037 243 HA HIS 35 HA HIS 35 2.830 -8.410 -1.240 244 HB2 HIS 35 1HB HIS 35 4.855 -7.105 -1.690 245 HB3 HIS 35 2HB HIS 35 4.944 -6.612 -0.006 246 HD1 HIS 35 HD1 HIS 35 6.026 -9.237 -2.322 247 HD2 HIS 35 HD2 HIS 35 5.675 -8.777 1.794 248 HE1 HIS 35 HE1 HIS 35 7.409 -11.075 -1.317 249 HE2 HIS 35 HE2 HIS 35 7.116 -10.837 1.172 250 H CYS 36 H CYS 36 1.536 -9.512 0.171 251 HA CYS 36 HA CYS 36 2.040 -9.140 3.059 252 HB2 CYS 36 2HB CYS 36 -0.422 -10.328 1.743 253 HB3 CYS 36 1HB CYS 36 -0.200 -10.037 3.462 254 H GLY 37 H GLY 37 3.602 -10.592 3.503 255 HA2 GLY 37 1HA GLY 37 4.360 -12.729 4.051 256 HA3 GLY 37 2HA GLY 37 3.037 -13.421 3.120 Start of MODEL 7 1 H1 ALA 1 1H ALA 1 -1.578 -10.270 12.162 2 H2 ALA 1 2H ALA 1 -1.226 -11.897 12.448 3 H3 ALA 1 3H ALA 1 -2.247 -11.465 11.174 4 HA ALA 1 HA ALA 1 0.628 -10.823 11.392 5 HB1 ALA 1 1HB ALA 1 0.934 -12.377 9.540 6 HB2 ALA 1 2HB ALA 1 -0.795 -12.729 9.528 7 HB3 ALA 1 3HB ALA 1 0.188 -13.195 10.916 8 HA PRO 2 HA PRO 2 -0.979 -7.621 8.622 9 HB2 PRO 2 2HB PRO 2 0.953 -5.815 9.025 10 HB3 PRO 2 1HB PRO 2 -0.247 -6.155 10.280 11 HG2 PRO 2 2HG PRO 2 2.580 -7.126 10.049 12 HG3 PRO 2 1HG PRO 2 1.705 -6.558 11.484 13 HD2 PRO 2 2HD PRO 2 2.071 -9.221 10.809 14 HD3 PRO 2 1HD PRO 2 0.781 -8.617 11.868 15 H CYS 3 H CYS 3 0.264 -6.230 6.897 16 HA CYS 3 HA CYS 3 2.306 -7.865 5.544 17 HB2 CYS 3 2HB CYS 3 -0.182 -6.643 4.334 18 HB3 CYS 3 1HB CYS 3 1.194 -7.156 3.364 19 H GLU 4 H GLU 4 3.126 -6.470 3.569 20 HA GLU 4 HA GLU 4 3.698 -3.754 4.563 21 HB2 GLU 4 1HB GLU 4 5.354 -5.570 2.788 22 HB3 GLU 4 2HB GLU 4 5.764 -3.902 3.166 23 HG2 GLU 4 1HG GLU 4 6.047 -4.440 5.492 24 HG3 GLU 4 2HG GLU 4 5.469 -6.085 5.221 25 H CYS 5 H CYS 5 4.049 -2.155 2.862 26 HA CYS 5 HA CYS 5 2.603 -2.642 0.371 27 HB2 CYS 5 2HB CYS 5 0.990 -1.834 2.157 28 HB3 CYS 5 1HB CYS 5 1.911 -0.337 2.217 29 H ASP 6 H ASP 6 3.341 -1.386 -1.284 30 HA ASP 6 HA ASP 6 5.597 0.426 -0.680 31 HB2 ASP 6 1HB ASP 6 6.140 -1.715 -1.951 32 HB3 ASP 6 2HB ASP 6 5.137 -1.109 -3.262 33 H VAL 7 H VAL 7 5.527 2.428 -1.582 34 HA VAL 7 HA VAL 7 3.294 3.182 -3.310 35 HB VAL 7 HB VAL 7 3.949 4.664 -0.739 36 HG11 VAL 7 1HG1 VAL 7 1.924 5.963 -1.241 37 HG12 VAL 7 2HG1 VAL 7 1.735 5.075 -2.753 38 HG13 VAL 7 3HG1 VAL 7 3.136 6.120 -2.514 39 HG21 VAL 7 1HG2 VAL 7 1.563 2.902 -1.332 40 HG22 VAL 7 2HG2 VAL 7 1.778 3.892 0.113 41 HG23 VAL 7 3HG2 VAL 7 2.867 2.542 -0.198 42 H ASN 8 H ASN 8 4.546 3.821 -4.997 43 HA ASN 8 HA ASN 8 5.904 5.134 -6.263 44 HB2 ASN 8 1HB ASN 8 4.600 6.939 -5.145 45 HB3 ASN 8 2HB ASN 8 5.809 7.006 -3.871 46 HD21 ASN 8 1HD2 ASN 8 6.484 8.747 -7.486 47 HD22 ASN 8 2HD2 ASN 8 5.163 7.659 -7.243 48 H GLY 9 H GLY 9 6.981 3.331 -3.924 49 HA2 GLY 9 1HA GLY 9 9.350 2.642 -4.199 50 HA3 GLY 9 2HA GLY 9 9.764 4.342 -4.039 51 H GLU 10 H GLU 10 7.683 4.693 -1.915 52 HA GLU 10 HA GLU 10 9.417 3.981 0.297 53 HB2 GLU 10 1HB GLU 10 8.350 6.201 0.209 54 HB3 GLU 10 2HB GLU 10 6.762 5.447 0.268 55 HG2 GLU 10 1HG GLU 10 7.409 6.353 2.440 56 HG3 GLU 10 2HG GLU 10 7.220 4.603 2.507 57 H THR 11 H THR 11 8.864 2.620 2.028 58 HA THR 11 HA THR 11 6.729 0.684 1.385 59 HB THR 11 HB THR 11 9.287 0.139 2.916 60 HG1 THR 11 1HG THR 11 9.086 0.560 0.376 61 HG21 THR 11 1HG2 THR 11 7.437 -1.377 3.484 62 HG22 THR 11 2HG2 THR 11 8.692 -2.221 2.579 63 HG23 THR 11 3HG2 THR 11 7.200 -1.736 1.774 64 H TYR 12 H TYR 12 5.078 0.807 2.731 65 HA TYR 12 HA TYR 12 5.537 1.462 5.574 66 HB2 TYR 12 2HB TYR 12 3.101 1.886 3.819 67 HB3 TYR 12 1HB TYR 12 3.066 2.053 5.567 68 HD1 TYR 12 1HD TYR 12 4.759 3.761 6.596 69 HD2 TYR 12 2HD TYR 12 3.590 3.750 2.497 70 HE1 TYR 12 1HE TYR 12 5.431 6.120 6.398 71 HE2 TYR 12 2HE TYR 12 4.267 6.104 2.293 72 HH TYR 12 HH TYR 12 6.175 7.679 4.527 73 H THR 13 H THR 13 3.886 0.382 7.048 74 HA THR 13 HA THR 13 3.336 -2.355 6.102 75 HB THR 13 HB THR 13 3.269 -2.854 8.648 76 HG1 THR 13 1HG THR 13 5.165 -1.097 9.290 77 HG21 THR 13 1HG2 THR 13 5.690 -3.260 8.713 78 HG22 THR 13 2HG2 THR 13 5.904 -2.216 7.308 79 HG23 THR 13 3HG2 THR 13 5.006 -3.725 7.157 80 H VAL 14 H VAL 14 1.312 -3.131 6.243 81 HA VAL 14 HA VAL 14 -0.771 -1.303 7.269 82 HB VAL 14 HB VAL 14 -2.184 -1.962 5.322 83 HG11 VAL 14 1HG1 VAL 14 -0.993 0.164 5.287 84 HG12 VAL 14 2HG1 VAL 14 -1.044 -0.535 3.669 85 HG13 VAL 14 3HG1 VAL 14 0.436 -0.627 4.622 86 HG21 VAL 14 1HG2 VAL 14 -1.085 -4.064 4.752 87 HG22 VAL 14 2HG2 VAL 14 0.380 -3.194 4.289 88 HG23 VAL 14 3HG2 VAL 14 -1.107 -2.982 3.359 89 H SER 15 H SER 15 -2.892 -2.376 7.547 90 HA SER 15 HA SER 15 -2.649 -4.568 9.277 91 HB2 SER 15 1HB SER 15 -4.447 -2.856 9.381 92 HB3 SER 15 2HB SER 15 -5.154 -3.537 7.919 93 HG SER 15 HG SER 15 -5.576 -5.433 9.028 94 H SER 16 H SER 16 -3.275 -4.437 5.829 95 HA SER 16 HA SER 16 -2.976 -7.254 5.540 96 HB2 SER 16 1HB SER 16 -5.288 -7.673 4.634 97 HB3 SER 16 2HB SER 16 -5.243 -7.352 6.369 98 HG SER 16 HG SER 16 -6.648 -5.869 5.914 99 H SER 17 H SER 17 -3.489 -7.965 3.269 100 HA SER 17 HA SER 17 -2.097 -6.468 1.393 101 HB2 SER 17 1HB SER 17 -4.249 -8.494 0.732 102 HB3 SER 17 2HB SER 17 -2.808 -8.103 -0.209 103 HG SER 17 HG SER 17 -1.542 -9.052 1.376 104 H GLU 18 H GLU 18 -5.601 -6.743 1.937 105 HA GLU 18 HA GLU 18 -6.364 -5.034 -0.186 106 HB2 GLU 18 1HB GLU 18 -8.553 -4.999 0.799 107 HB3 GLU 18 2HB GLU 18 -7.908 -6.622 1.001 108 HG2 GLU 18 1HG GLU 18 -7.400 -6.182 3.323 109 HG3 GLU 18 2HG GLU 18 -7.896 -4.501 3.147 110 H GLU 19 H GLU 19 -5.513 -4.501 3.186 111 HA GLU 19 HA GLU 19 -6.365 -1.824 3.373 112 HB2 GLU 19 1HB GLU 19 -5.795 -3.363 5.295 113 HB3 GLU 19 2HB GLU 19 -4.100 -3.093 4.922 114 HG2 GLU 19 1HG GLU 19 -4.753 -1.674 6.743 115 HG3 GLU 19 2HG GLU 19 -4.418 -0.682 5.325 116 H CYS 20 H CYS 20 -3.390 -3.308 2.221 117 HA CYS 20 HA CYS 20 -1.761 -1.056 1.958 118 HB2 CYS 20 2HB CYS 20 -0.819 -3.189 1.479 119 HB3 CYS 20 1HB CYS 20 -2.021 -3.527 0.241 120 H GLU 21 H GLU 21 -3.694 -2.430 -0.723 121 HA GLU 21 HA GLU 21 -3.420 -0.195 -2.396 122 HB2 GLU 21 1HB GLU 21 -5.379 -1.179 -3.634 123 HB3 GLU 21 2HB GLU 21 -4.039 -2.282 -3.374 124 HG2 GLU 21 1HG GLU 21 -5.535 -3.740 -2.606 125 HG3 GLU 21 2HG GLU 21 -5.666 -2.720 -1.178 126 H ARG 22 H ARG 22 -5.892 -1.083 -0.088 127 HA ARG 22 HA ARG 22 -7.747 0.939 -0.432 128 HB2 ARG 22 1HB ARG 22 -7.930 -1.058 1.063 129 HB3 ARG 22 2HB ARG 22 -6.850 -0.264 2.196 130 HG2 ARG 22 1HG ARG 22 -8.505 1.519 2.515 131 HG3 ARG 22 2HG ARG 22 -9.589 0.707 1.377 132 HD2 ARG 22 1HD ARG 22 -9.561 -1.292 2.843 133 HD3 ARG 22 2HD ARG 22 -8.567 -0.401 3.995 134 HE ARG 22 HE ARG 22 -11.194 0.680 3.268 135 HH11 ARG 22 1HH1 ARG 22 -9.072 -0.756 5.669 136 HH12 ARG 22 2HH1 ARG 22 -10.198 -0.536 6.972 137 HH21 ARG 22 1HH2 ARG 22 -12.664 0.974 4.983 138 HH22 ARG 22 2HH2 ARG 22 -12.242 0.450 6.581 139 H LEU 23 H LEU 23 -4.745 0.956 1.450 140 HA LEU 23 HA LEU 23 -5.048 3.559 2.533 141 HB2 LEU 23 1HB LEU 23 -3.483 1.933 3.489 142 HB3 LEU 23 2HB LEU 23 -2.543 1.945 2.009 143 HG LEU 23 HG LEU 23 -1.944 4.303 2.396 144 HD11 LEU 23 1HD1 LEU 23 -2.460 5.384 4.521 145 HD12 LEU 23 2HD1 LEU 23 -3.444 4.000 5.002 146 HD13 LEU 23 3HD1 LEU 23 -3.931 4.999 3.630 147 HD21 LEU 23 1HD2 LEU 23 -0.455 2.564 3.220 148 HD22 LEU 23 2HD2 LEU 23 -1.355 2.483 4.734 149 HD23 LEU 23 3HD2 LEU 23 -0.456 3.944 4.319 150 H CYS 24 H CYS 24 -3.251 2.320 -0.286 151 HA CYS 24 HA CYS 24 -2.325 4.774 -1.244 152 HB2 CYS 24 2HB CYS 24 -3.090 2.247 -2.716 153 HB3 CYS 24 1HB CYS 24 -2.326 3.626 -3.504 154 H ARG 25 H ARG 25 -5.442 3.192 -1.691 155 HA ARG 25 HA ARG 25 -6.516 5.068 -3.530 156 HB2 ARG 25 1HB ARG 25 -7.825 3.120 -1.619 157 HB3 ARG 25 2HB ARG 25 -8.730 4.086 -2.778 158 HG2 ARG 25 1HG ARG 25 -7.810 2.960 -4.616 159 HG3 ARG 25 2HG ARG 25 -6.492 2.288 -3.657 160 HD2 ARG 25 1HD ARG 25 -8.142 0.578 -4.191 161 HD3 ARG 25 2HD ARG 25 -8.072 0.872 -2.455 162 HE ARG 25 HE ARG 25 -10.104 2.450 -3.650 163 HH11 ARG 25 1HH1 ARG 25 -9.361 -0.833 -2.644 164 HH12 ARG 25 2HH1 ARG 25 -11.030 -1.284 -2.463 165 HH21 ARG 25 1HH2 ARG 25 -12.304 1.852 -3.374 166 HH22 ARG 25 2HH2 ARG 25 -12.691 0.235 -2.869 167 H LYS 26 H LYS 26 -6.376 4.878 -0.030 168 HA LYS 26 HA LYS 26 -8.061 7.082 0.553 169 HB2 LYS 26 1HB LYS 26 -7.176 5.294 2.171 170 HB3 LYS 26 2HB LYS 26 -5.676 6.204 2.202 171 HG2 LYS 26 1HG LYS 26 -7.763 8.050 2.726 172 HG3 LYS 26 2HG LYS 26 -8.079 6.624 3.709 173 HD2 LYS 26 1HD LYS 26 -6.743 7.960 5.086 174 HD3 LYS 26 2HD LYS 26 -5.601 6.801 4.405 175 HE2 LYS 26 1HE LYS 26 -4.612 8.995 4.341 176 HE3 LYS 26 2HE LYS 26 -4.985 8.497 2.692 177 HZ1 LYS 26 1HZ LYS 26 -5.615 10.791 3.075 178 HZ2 LYS 26 2HZ LYS 26 -6.611 10.341 4.363 179 HZ3 LYS 26 3HZ LYS 26 -6.996 9.856 2.790 180 H LEU 27 H LEU 27 -4.676 6.751 -0.294 181 HA LEU 27 HA LEU 27 -4.031 9.533 0.151 182 HB2 LEU 27 1HB LEU 27 -2.491 7.396 -1.339 183 HB3 LEU 27 2HB LEU 27 -1.862 8.958 -0.847 184 HG LEU 27 HG LEU 27 -2.745 6.754 1.030 185 HD11 LEU 27 1HD1 LEU 27 -0.686 6.197 -0.159 186 HD12 LEU 27 2HD1 LEU 27 -0.369 6.518 1.547 187 HD13 LEU 27 3HD1 LEU 27 0.024 7.736 0.331 188 HD21 LEU 27 1HD2 LEU 27 -3.099 8.978 1.992 189 HD22 LEU 27 2HD2 LEU 27 -1.427 9.405 1.632 190 HD23 LEU 27 3HD2 LEU 27 -1.780 8.132 2.799 191 H GLY 28 H GLY 28 -5.192 7.577 -2.471 192 HA2 GLY 28 1HA GLY 28 -6.217 8.421 -4.421 193 HA3 GLY 28 2HA GLY 28 -5.372 9.944 -4.190 194 H VAL 29 H VAL 29 -3.444 7.165 -3.799 195 HA VAL 29 HA VAL 29 -2.219 7.617 -6.444 196 HB VAL 29 HB VAL 29 -0.931 6.492 -3.940 197 HG11 VAL 29 1HG1 VAL 29 0.103 5.601 -5.945 198 HG12 VAL 29 2HG1 VAL 29 1.188 6.763 -5.182 199 HG13 VAL 29 3HG1 VAL 29 0.271 7.223 -6.616 200 HG21 VAL 29 1HG2 VAL 29 -0.640 9.231 -5.192 201 HG22 VAL 29 2HG2 VAL 29 0.293 8.621 -3.824 202 HG23 VAL 29 3HG2 VAL 29 -1.446 8.859 -3.666 203 H THR 30 H THR 30 -1.906 5.907 -7.793 204 HA THR 30 HA THR 30 -2.940 3.292 -6.924 205 HB THR 30 HB THR 30 -3.148 2.853 -9.415 206 HG1 THR 30 1HG THR 30 -2.303 4.315 -10.681 207 HG21 THR 30 1HG2 THR 30 -5.099 3.459 -8.055 208 HG22 THR 30 2HG2 THR 30 -5.208 4.173 -9.663 209 HG23 THR 30 3HG2 THR 30 -4.739 5.172 -8.288 210 H ASN 31 H ASN 31 -0.108 4.956 -7.844 211 HA ASN 31 HA ASN 31 1.321 2.674 -8.870 212 HB2 ASN 31 1HB ASN 31 2.303 5.411 -8.011 213 HB3 ASN 31 2HB ASN 31 3.323 4.174 -8.740 214 HD21 ASN 31 1HD2 ASN 31 2.014 6.624 -11.279 215 HD22 ASN 31 2HD2 ASN 31 2.736 6.828 -9.721 216 H CYS 32 H CYS 32 0.902 1.226 -7.184 217 HA CYS 32 HA CYS 32 2.737 1.458 -4.888 218 HB2 CYS 32 2HB CYS 32 -0.200 0.693 -4.764 219 HB3 CYS 32 1HB CYS 32 0.940 0.493 -3.438 220 H ARG 33 H ARG 33 2.590 -0.801 -3.680 221 HA ARG 33 HA ARG 33 2.037 -3.062 -5.410 222 HB2 ARG 33 1HB ARG 33 4.384 -2.354 -5.992 223 HB3 ARG 33 2HB ARG 33 4.845 -2.660 -4.323 224 HG2 ARG 33 1HG ARG 33 4.334 -5.011 -4.564 225 HG3 ARG 33 2HG ARG 33 3.708 -4.741 -6.192 226 HD2 ARG 33 1HD ARG 33 5.979 -3.948 -6.866 227 HD3 ARG 33 2HD ARG 33 6.566 -4.404 -5.264 228 HE ARG 33 HE ARG 33 5.453 -6.695 -6.107 229 HH11 ARG 33 1HH1 ARG 33 7.698 -4.501 -7.671 230 HH12 ARG 33 2HH1 ARG 33 8.424 -5.743 -8.637 231 HH21 ARG 33 1HH2 ARG 33 6.403 -8.313 -7.390 232 HH22 ARG 33 2HH2 ARG 33 7.694 -7.905 -8.481 233 H VAL 34 H VAL 34 1.960 -5.067 -4.209 234 HA VAL 34 HA VAL 34 1.663 -4.607 -1.302 235 HB VAL 34 HB VAL 34 0.236 -6.665 -3.018 236 HG11 VAL 34 1HG1 VAL 34 0.524 -7.391 -0.700 237 HG12 VAL 34 2HG1 VAL 34 -1.169 -7.034 -1.041 238 HG13 VAL 34 3HG1 VAL 34 -0.193 -5.883 -0.130 239 HG21 VAL 34 1HG2 VAL 34 -0.806 -4.065 -1.875 240 HG22 VAL 34 2HG2 VAL 34 -1.778 -5.286 -2.698 241 HG23 VAL 34 3HG2 VAL 34 -0.521 -4.418 -3.580 242 H HIS 35 H HIS 35 2.604 -6.054 0.126 243 HA HIS 35 HA HIS 35 3.957 -8.419 -0.946 244 HB2 HIS 35 1HB HIS 35 5.651 -6.651 -1.081 245 HB3 HIS 35 2HB HIS 35 5.394 -6.252 0.615 246 HD1 HIS 35 HD1 HIS 35 6.848 -7.463 2.266 247 HD2 HIS 35 HD2 HIS 35 6.783 -9.324 -1.454 248 HE1 HIS 35 HE1 HIS 35 8.542 -9.312 2.405 249 HE2 HIS 35 HE2 HIS 35 8.384 -10.510 0.197 250 H CYS 36 H CYS 36 3.035 -9.952 0.243 251 HA CYS 36 HA CYS 36 3.112 -9.671 3.181 252 HB2 CYS 36 2HB CYS 36 1.365 -11.509 1.507 253 HB3 CYS 36 1HB CYS 36 1.367 -11.413 3.266 254 H GLY 37 H GLY 37 5.032 -10.538 3.780 255 HA2 GLY 37 1HA GLY 37 5.801 -13.135 2.579 256 HA3 GLY 37 2HA GLY 37 6.966 -11.899 3.035 Start of MODEL 8 1 H1 ALA 1 1H ALA 1 1.516 -13.611 10.437 2 H2 ALA 1 2H ALA 1 2.463 -12.827 11.594 3 H3 ALA 1 3H ALA 1 2.887 -14.376 11.067 4 HA ALA 1 HA ALA 1 4.302 -12.689 10.092 5 HB1 ALA 1 1HB ALA 1 4.057 -13.397 7.759 6 HB2 ALA 1 2HB ALA 1 2.449 -14.033 8.118 7 HB3 ALA 1 3HB ALA 1 3.873 -14.759 8.865 8 HA PRO 2 HA PRO 2 1.859 -8.945 9.374 9 HB2 PRO 2 2HB PRO 2 3.923 -7.205 9.449 10 HB3 PRO 2 1HB PRO 2 3.254 -7.925 10.921 11 HG2 PRO 2 2HG PRO 2 5.699 -8.714 9.370 12 HG3 PRO 2 1HG PRO 2 5.495 -8.548 11.125 13 HD2 PRO 2 2HD PRO 2 5.407 -10.950 9.849 14 HD3 PRO 2 1HD PRO 2 4.494 -10.613 11.333 15 H CYS 3 H CYS 3 1.686 -7.448 7.620 16 HA CYS 3 HA CYS 3 3.186 -8.273 5.220 17 HB2 CYS 3 2HB CYS 3 0.342 -7.238 5.385 18 HB3 CYS 3 1HB CYS 3 1.192 -7.675 3.905 19 H GLU 4 H GLU 4 3.633 -6.646 3.666 20 HA GLU 4 HA GLU 4 3.808 -3.924 4.784 21 HB2 GLU 4 1HB GLU 4 5.603 -5.297 2.761 22 HB3 GLU 4 2HB GLU 4 5.774 -3.630 3.296 23 HG2 GLU 4 1HG GLU 4 6.356 -4.314 5.506 24 HG3 GLU 4 2HG GLU 4 5.928 -5.989 5.159 25 H CYS 5 H CYS 5 3.853 -2.216 3.107 26 HA CYS 5 HA CYS 5 2.424 -2.858 0.640 27 HB2 CYS 5 2HB CYS 5 0.686 -2.204 2.267 28 HB3 CYS 5 1HB CYS 5 1.546 -0.703 2.588 29 H ASP 6 H ASP 6 3.113 -1.638 -1.051 30 HA ASP 6 HA ASP 6 5.110 0.445 -0.468 31 HB2 ASP 6 1HB ASP 6 5.941 -1.679 -1.604 32 HB3 ASP 6 2HB ASP 6 4.962 -1.222 -2.995 33 H VAL 7 H VAL 7 4.879 2.376 -1.457 34 HA VAL 7 HA VAL 7 2.622 2.847 -3.257 35 HB VAL 7 HB VAL 7 3.093 4.459 -0.723 36 HG11 VAL 7 1HG1 VAL 7 0.848 4.587 -2.736 37 HG12 VAL 7 2HG1 VAL 7 2.154 5.760 -2.563 38 HG13 VAL 7 3HG1 VAL 7 0.979 5.552 -1.264 39 HG21 VAL 7 1HG2 VAL 7 0.993 3.498 0.127 40 HG22 VAL 7 2HG2 VAL 7 2.225 2.263 -0.123 41 HG23 VAL 7 3HG2 VAL 7 0.911 2.442 -1.284 42 H ASN 8 H ASN 8 3.800 3.600 -4.971 43 HA ASN 8 HA ASN 8 4.980 5.088 -6.238 44 HB2 ASN 8 1HB ASN 8 3.828 6.870 -5.057 45 HB3 ASN 8 2HB ASN 8 4.917 6.728 -3.684 46 HD21 ASN 8 1HD2 ASN 8 7.416 8.749 -5.051 47 HD22 ASN 8 2HD2 ASN 8 6.945 7.663 -3.792 48 H GLY 9 H GLY 9 6.203 3.238 -3.907 49 HA2 GLY 9 1HA GLY 9 8.515 2.481 -4.120 50 HA3 GLY 9 2HA GLY 9 8.988 4.166 -4.293 51 H GLU 10 H GLU 10 6.823 4.664 -2.138 52 HA GLU 10 HA GLU 10 8.585 4.498 0.145 53 HB2 GLU 10 1HB GLU 10 5.663 5.299 0.106 54 HB3 GLU 10 2HB GLU 10 6.872 5.724 1.311 55 HG2 GLU 10 1HG GLU 10 6.801 6.675 -1.550 56 HG3 GLU 10 2HG GLU 10 6.354 7.615 -0.129 57 H THR 11 H THR 11 8.379 3.045 1.873 58 HA THR 11 HA THR 11 6.439 0.873 1.405 59 HB THR 11 HB THR 11 9.176 0.679 2.687 60 HG1 THR 11 1HG THR 11 8.197 0.314 0.088 61 HG21 THR 11 1HG2 THR 11 7.141 -1.476 2.047 62 HG22 THR 11 2HG2 THR 11 7.595 -0.928 3.661 63 HG23 THR 11 3HG2 THR 11 8.777 -1.754 2.646 64 H TYR 12 H TYR 12 4.869 0.846 2.783 65 HA TYR 12 HA TYR 12 5.302 1.605 5.603 66 HB2 TYR 12 2HB TYR 12 2.861 1.785 3.824 67 HB3 TYR 12 1HB TYR 12 2.743 1.880 5.575 68 HD1 TYR 12 1HD TYR 12 3.061 3.925 6.669 69 HD2 TYR 12 2HD TYR 12 4.362 3.519 2.636 70 HE1 TYR 12 1HE TYR 12 3.537 6.331 6.585 71 HE2 TYR 12 2HE TYR 12 4.838 5.929 2.541 72 HH TYR 12 HH TYR 12 4.784 7.921 5.383 73 H THR 13 H THR 13 3.621 0.412 7.049 74 HA THR 13 HA THR 13 3.554 -2.427 6.257 75 HB THR 13 HB THR 13 3.430 -2.792 8.815 76 HG1 THR 13 1HG THR 13 4.695 -0.942 9.825 77 HG21 THR 13 1HG2 THR 13 5.396 -3.390 7.497 78 HG22 THR 13 2HG2 THR 13 5.884 -2.681 9.037 79 HG23 THR 13 3HG2 THR 13 5.966 -1.720 7.559 80 H VAL 14 H VAL 14 1.682 -3.578 6.504 81 HA VAL 14 HA VAL 14 -0.693 -2.269 7.617 82 HB VAL 14 HB VAL 14 -2.053 -2.904 5.625 83 HG11 VAL 14 1HG1 VAL 14 -1.308 -0.598 5.854 84 HG12 VAL 14 2HG1 VAL 14 -1.317 -1.070 4.157 85 HG13 VAL 14 3HG1 VAL 14 0.208 -0.984 5.039 86 HG21 VAL 14 1HG2 VAL 14 -0.902 -3.397 3.493 87 HG22 VAL 14 2HG2 VAL 14 -0.641 -4.653 4.704 88 HG23 VAL 14 3HG2 VAL 14 0.633 -3.483 4.359 89 H SER 15 H SER 15 -2.437 -3.787 8.039 90 HA SER 15 HA SER 15 -1.390 -6.395 8.746 91 HB2 SER 15 1HB SER 15 -4.124 -5.182 9.242 92 HB3 SER 15 2HB SER 15 -3.529 -6.693 9.933 93 HG SER 15 HG SER 15 -2.547 -5.576 11.400 94 H SER 16 H SER 16 -3.069 -5.066 6.092 95 HA SER 16 HA SER 16 -3.360 -7.710 4.946 96 HB2 SER 16 1HB SER 16 -5.765 -7.418 4.402 97 HB3 SER 16 2HB SER 16 -5.485 -7.483 6.142 98 HG SER 16 HG SER 16 -6.092 -5.467 6.333 99 H SER 17 H SER 17 -3.745 -7.711 2.684 100 HA SER 17 HA SER 17 -2.623 -5.630 1.175 101 HB2 SER 17 1HB SER 17 -3.745 -6.857 -0.769 102 HB3 SER 17 2HB SER 17 -2.669 -7.832 0.236 103 HG SER 17 HG SER 17 -5.491 -7.805 0.149 104 H GLU 18 H GLU 18 -5.865 -6.310 2.248 105 HA GLU 18 HA GLU 18 -7.338 -4.541 0.657 106 HB2 GLU 18 1HB GLU 18 -7.927 -5.057 3.575 107 HB3 GLU 18 2HB GLU 18 -9.069 -4.770 2.270 108 HG2 GLU 18 1HG GLU 18 -7.399 -7.245 2.696 109 HG3 GLU 18 2HG GLU 18 -9.138 -7.083 2.934 110 H GLU 19 H GLU 19 -5.752 -4.105 3.791 111 HA GLU 19 HA GLU 19 -6.281 -1.358 4.103 112 HB2 GLU 19 1HB GLU 19 -4.168 -3.201 5.207 113 HB3 GLU 19 2HB GLU 19 -4.217 -1.497 5.643 114 HG2 GLU 19 1HG GLU 19 -6.332 -1.723 6.680 115 HG3 GLU 19 2HG GLU 19 -6.583 -3.326 5.988 116 H CYS 20 H CYS 20 -3.586 -3.091 2.580 117 HA CYS 20 HA CYS 20 -1.959 -0.913 1.945 118 HB2 CYS 20 2HB CYS 20 -1.251 -3.229 1.591 119 HB3 CYS 20 1HB CYS 20 -2.450 -3.421 0.315 120 H GLU 21 H GLU 21 -4.439 -2.418 -0.145 121 HA GLU 21 HA GLU 21 -4.452 -0.528 -2.191 122 HB2 GLU 21 1HB GLU 21 -6.665 -2.295 -1.115 123 HB3 GLU 21 2HB GLU 21 -6.822 -1.345 -2.588 124 HG2 GLU 21 1HG GLU 21 -4.671 -3.414 -2.171 125 HG3 GLU 21 2HG GLU 21 -6.237 -3.765 -2.903 126 H ARG 22 H ARG 22 -6.373 -0.697 0.763 127 HA ARG 22 HA ARG 22 -7.993 1.517 0.457 128 HB2 ARG 22 1HB ARG 22 -8.438 0.047 2.247 129 HB3 ARG 22 2HB ARG 22 -6.801 0.148 2.861 130 HG2 ARG 22 1HG ARG 22 -8.473 2.617 2.904 131 HG3 ARG 22 2HG ARG 22 -8.824 1.340 4.070 132 HD2 ARG 22 1HD ARG 22 -6.348 1.395 4.659 133 HD3 ARG 22 2HD ARG 22 -6.255 2.881 3.715 134 HE ARG 22 HE ARG 22 -8.325 3.240 5.508 135 HH11 ARG 22 1HH1 ARG 22 -4.877 2.657 5.666 136 HH12 ARG 22 2HH1 ARG 22 -4.688 3.414 7.211 137 HH21 ARG 22 1HH2 ARG 22 -8.079 4.249 7.543 138 HH22 ARG 22 2HH2 ARG 22 -6.506 4.329 8.276 139 H LEU 23 H LEU 23 -4.691 1.350 1.753 140 HA LEU 23 HA LEU 23 -4.506 4.069 2.500 141 HB2 LEU 23 1HB LEU 23 -3.015 2.295 3.363 142 HB3 LEU 23 2HB LEU 23 -2.296 2.130 1.771 143 HG LEU 23 HG LEU 23 -1.444 4.454 1.930 144 HD11 LEU 23 1HD1 LEU 23 -1.508 5.621 4.088 145 HD12 LEU 23 2HD1 LEU 23 -2.561 4.363 4.737 146 HD13 LEU 23 3HD1 LEU 23 -3.121 5.392 3.417 147 HD21 LEU 23 1HD2 LEU 23 -0.644 2.681 4.245 148 HD22 LEU 23 2HD2 LEU 23 0.310 4.004 3.571 149 HD23 LEU 23 3HD2 LEU 23 -0.026 2.575 2.595 150 H CYS 24 H CYS 24 -3.106 2.351 -0.302 151 HA CYS 24 HA CYS 24 -2.013 4.546 -1.608 152 HB2 CYS 24 2HB CYS 24 -1.498 2.279 -2.274 153 HB3 CYS 24 1HB CYS 24 -3.163 1.991 -2.753 154 H ARG 25 H ARG 25 -5.209 3.087 -2.102 155 HA ARG 25 HA ARG 25 -5.961 4.891 -4.157 156 HB2 ARG 25 1HB ARG 25 -7.679 3.038 -2.493 157 HB3 ARG 25 2HB ARG 25 -8.191 3.854 -3.967 158 HG2 ARG 25 1HG ARG 25 -6.466 2.655 -5.233 159 HG3 ARG 25 2HG ARG 25 -5.957 1.828 -3.760 160 HD2 ARG 25 1HD ARG 25 -8.205 0.827 -3.584 161 HD3 ARG 25 2HD ARG 25 -8.662 1.618 -5.094 162 HE ARG 25 HE ARG 25 -6.763 -0.603 -4.782 163 HH11 ARG 25 1HH1 ARG 25 -8.512 1.578 -6.887 164 HH12 ARG 25 2HH1 ARG 25 -8.226 0.627 -8.310 165 HH21 ARG 25 1HH2 ARG 25 -6.360 -1.837 -6.632 166 HH22 ARG 25 2HH2 ARG 25 -6.985 -1.318 -8.170 167 H LYS 26 H LYS 26 -6.510 4.854 -0.654 168 HA LYS 26 HA LYS 26 -8.360 7.002 -0.614 169 HB2 LYS 26 1HB LYS 26 -8.036 5.528 1.330 170 HB3 LYS 26 2HB LYS 26 -6.397 6.125 1.526 171 HG2 LYS 26 1HG LYS 26 -8.709 8.027 1.634 172 HG3 LYS 26 2HG LYS 26 -8.306 7.043 3.040 173 HD2 LYS 26 1HD LYS 26 -6.131 8.022 3.199 174 HD3 LYS 26 2HD LYS 26 -6.300 8.818 1.636 175 HE2 LYS 26 1HE LYS 26 -6.593 10.410 3.455 176 HE3 LYS 26 2HE LYS 26 -8.092 10.224 2.545 177 HZ1 LYS 26 1HZ LYS 26 -8.500 10.252 4.915 178 HZ2 LYS 26 2HZ LYS 26 -7.469 8.932 5.142 179 HZ3 LYS 26 3HZ LYS 26 -8.903 8.742 4.273 180 H LEU 27 H LEU 27 -4.831 6.890 -0.220 181 HA LEU 27 HA LEU 27 -4.429 9.657 0.070 182 HB2 LEU 27 1HB LEU 27 -2.569 7.557 -1.067 183 HB3 LEU 27 2HB LEU 27 -2.085 9.180 -0.616 184 HG LEU 27 HG LEU 27 -3.077 7.022 1.256 185 HD11 LEU 27 1HD1 LEU 27 -0.800 6.649 0.491 186 HD12 LEU 27 2HD1 LEU 27 -0.803 7.136 2.186 187 HD13 LEU 27 3HD1 LEU 27 -0.354 8.298 0.934 188 HD21 LEU 27 1HD2 LEU 27 -2.228 9.856 1.874 189 HD22 LEU 27 2HD2 LEU 27 -2.616 8.610 3.062 190 HD23 LEU 27 3HD2 LEU 27 -3.870 9.216 1.979 191 H GLY 28 H GLY 28 -4.818 7.599 -2.739 192 HA2 GLY 28 1HA GLY 28 -5.666 8.361 -4.812 193 HA3 GLY 28 2HA GLY 28 -5.198 10.004 -4.386 194 H VAL 29 H VAL 29 -3.204 7.162 -4.115 195 HA VAL 29 HA VAL 29 -1.275 8.373 -5.982 196 HB VAL 29 HB VAL 29 -0.790 6.301 -3.819 197 HG11 VAL 29 1HG1 VAL 29 1.169 7.915 -5.461 198 HG12 VAL 29 2HG1 VAL 29 0.847 6.190 -5.625 199 HG13 VAL 29 3HG1 VAL 29 1.587 6.812 -4.149 200 HG21 VAL 29 1HG2 VAL 29 -1.471 8.432 -2.832 201 HG22 VAL 29 2HG2 VAL 29 -0.227 9.271 -3.759 202 HG23 VAL 29 3HG2 VAL 29 0.233 8.107 -2.517 203 H THR 30 H THR 30 -0.224 7.017 -7.498 204 HA THR 30 HA THR 30 -1.399 4.344 -7.878 205 HB THR 30 HB THR 30 -1.964 5.904 -9.729 206 HG1 THR 30 1HG THR 30 -1.922 3.920 -10.556 207 HG21 THR 30 1HG2 THR 30 0.027 7.297 -9.631 208 HG22 THR 30 2HG2 THR 30 -0.177 6.624 -11.248 209 HG23 THR 30 3HG2 THR 30 1.019 5.938 -10.148 210 H ASN 31 H ASN 31 0.280 3.026 -9.330 211 HA ASN 31 HA ASN 31 2.252 1.895 -9.366 212 HB2 ASN 31 1HB ASN 31 3.133 4.191 -10.016 213 HB3 ASN 31 2HB ASN 31 3.551 4.436 -8.325 214 HD21 ASN 31 1HD2 ASN 31 6.386 2.371 -8.408 215 HD22 ASN 31 2HD2 ASN 31 5.206 3.142 -7.411 216 H CYS 32 H CYS 32 0.640 1.463 -7.242 217 HA CYS 32 HA CYS 32 2.533 1.149 -4.996 218 HB2 CYS 32 2HB CYS 32 0.391 0.787 -3.621 219 HB3 CYS 32 1HB CYS 32 0.746 2.427 -4.147 220 H ARG 33 H ARG 33 2.535 -0.861 -3.891 221 HA ARG 33 HA ARG 33 1.460 -3.171 -5.326 222 HB2 ARG 33 1HB ARG 33 3.581 -2.750 -6.420 223 HB3 ARG 33 2HB ARG 33 4.401 -2.599 -4.875 224 HG2 ARG 33 1HG ARG 33 4.087 -4.961 -4.435 225 HG3 ARG 33 2HG ARG 33 3.149 -5.141 -5.920 226 HD2 ARG 33 1HD ARG 33 5.064 -4.616 -7.268 227 HD3 ARG 33 2HD ARG 33 6.011 -4.184 -5.846 228 HE ARG 33 HE ARG 33 5.939 -6.545 -5.213 229 HH11 ARG 33 1HH1 ARG 33 5.139 -5.774 -8.547 230 HH12 ARG 33 2HH1 ARG 33 5.679 -7.313 -9.150 231 HH21 ARG 33 1HH2 ARG 33 6.650 -8.558 -6.025 232 HH22 ARG 33 2HH2 ARG 33 6.533 -8.880 -7.731 233 H VAL 34 H VAL 34 1.639 -5.160 -4.035 234 HA VAL 34 HA VAL 34 1.866 -4.546 -1.156 235 HB VAL 34 HB VAL 34 -0.432 -5.077 -1.798 236 HG11 VAL 34 1HG1 VAL 34 0.017 -6.432 -3.784 237 HG12 VAL 34 2HG1 VAL 34 -1.054 -7.280 -2.669 238 HG13 VAL 34 3HG1 VAL 34 0.648 -7.730 -2.770 239 HG21 VAL 34 1HG2 VAL 34 -0.861 -6.887 -0.201 240 HG22 VAL 34 2HG2 VAL 34 0.342 -5.760 0.423 241 HG23 VAL 34 3HG2 VAL 34 0.848 -7.321 -0.224 242 H HIS 35 H HIS 35 3.082 -5.851 0.136 243 HA HIS 35 HA HIS 35 4.307 -8.253 -1.031 244 HB2 HIS 35 1HB HIS 35 5.963 -6.509 -1.379 245 HB3 HIS 35 2HB HIS 35 5.815 -5.979 0.293 246 HD1 HIS 35 HD1 HIS 35 7.468 -6.967 1.891 247 HD2 HIS 35 HD2 HIS 35 7.086 -9.231 -1.580 248 HE1 HIS 35 HE1 HIS 35 9.168 -8.802 2.091 249 HE2 HIS 35 HE2 HIS 35 8.781 -10.269 0.077 250 H CYS 36 H CYS 36 3.892 -9.889 0.305 251 HA CYS 36 HA CYS 36 4.316 -9.496 3.178 252 HB2 CYS 36 2HB CYS 36 1.827 -9.322 2.629 253 HB3 CYS 36 1HB CYS 36 1.900 -11.010 2.140 254 H GLY 37 H GLY 37 6.078 -10.741 3.356 255 HA2 GLY 37 1HA GLY 37 7.185 -12.822 3.489 256 HA3 GLY 37 2HA GLY 37 5.977 -13.512 2.410 Start of MODEL 9 1 H1 ALA 1 1H ALA 1 5.588 -12.746 12.090 2 H2 ALA 1 2H ALA 1 4.023 -12.959 11.485 3 H3 ALA 1 3H ALA 1 4.393 -11.597 12.416 4 HA ALA 1 HA ALA 1 5.874 -10.776 10.740 5 HB1 ALA 1 1HB ALA 1 6.611 -12.951 9.880 6 HB2 ALA 1 2HB ALA 1 6.061 -11.896 8.577 7 HB3 ALA 1 3HB ALA 1 5.023 -13.202 9.153 8 HA PRO 2 HA PRO 2 1.899 -9.077 9.443 9 HB2 PRO 2 2HB PRO 2 2.664 -6.537 9.195 10 HB3 PRO 2 1HB PRO 2 2.584 -7.294 10.792 11 HG2 PRO 2 2HG PRO 2 4.975 -6.761 9.069 12 HG3 PRO 2 1HG PRO 2 4.796 -6.578 10.823 13 HD2 PRO 2 2HD PRO 2 5.953 -8.769 9.545 14 HD3 PRO 2 1HD PRO 2 5.334 -8.766 11.208 15 H CYS 3 H CYS 3 1.696 -7.050 7.624 16 HA CYS 3 HA CYS 3 2.977 -8.125 5.196 17 HB2 CYS 3 2HB CYS 3 0.497 -8.523 5.349 18 HB3 CYS 3 1HB CYS 3 0.266 -6.777 5.345 19 H GLU 4 H GLU 4 3.134 -6.446 3.419 20 HA GLU 4 HA GLU 4 3.652 -3.765 4.516 21 HB2 GLU 4 1HB GLU 4 5.792 -3.634 3.450 22 HB3 GLU 4 2HB GLU 4 5.763 -5.117 4.390 23 HG2 GLU 4 1HG GLU 4 5.250 -6.374 2.318 24 HG3 GLU 4 2HG GLU 4 5.425 -4.877 1.408 25 H CYS 5 H CYS 5 3.944 -2.143 2.801 26 HA CYS 5 HA CYS 5 2.779 -2.739 0.215 27 HB2 CYS 5 2HB CYS 5 0.804 -2.321 1.635 28 HB3 CYS 5 1HB CYS 5 1.485 -0.782 2.145 29 H ASP 6 H ASP 6 3.717 -1.474 -1.300 30 HA ASP 6 HA ASP 6 5.393 0.768 -0.364 31 HB2 ASP 6 1HB ASP 6 6.799 -0.992 -1.246 32 HB3 ASP 6 2HB ASP 6 5.803 -1.132 -2.682 33 H VAL 7 H VAL 7 4.251 2.494 -0.722 34 HA VAL 7 HA VAL 7 2.664 2.811 -3.163 35 HB VAL 7 HB VAL 7 1.318 2.689 -1.100 36 HG11 VAL 7 1HG1 VAL 7 2.869 3.420 0.545 37 HG12 VAL 7 2HG1 VAL 7 1.453 4.471 0.589 38 HG13 VAL 7 3HG1 VAL 7 2.941 5.031 -0.178 39 HG21 VAL 7 1HG2 VAL 7 0.040 4.758 -1.356 40 HG22 VAL 7 2HG2 VAL 7 0.500 4.090 -2.923 41 HG23 VAL 7 3HG2 VAL 7 1.375 5.471 -2.261 42 H ASN 8 H ASN 8 3.132 4.486 -4.443 43 HA ASN 8 HA ASN 8 4.025 6.399 -5.283 44 HB2 ASN 8 1HB ASN 8 2.935 7.434 -3.257 45 HB3 ASN 8 2HB ASN 8 4.468 7.264 -2.408 46 HD21 ASN 8 1HD2 ASN 8 5.188 10.510 -3.434 47 HD22 ASN 8 2HD2 ASN 8 4.891 9.415 -2.133 48 H GLY 9 H GLY 9 5.727 4.078 -3.837 49 HA2 GLY 9 1HA GLY 9 7.973 3.637 -4.614 50 HA3 GLY 9 2HA GLY 9 8.319 5.354 -4.456 51 H GLU 10 H GLU 10 6.612 4.948 -1.807 52 HA GLU 10 HA GLU 10 8.946 4.253 -0.157 53 HB2 GLU 10 1HB GLU 10 6.414 5.777 0.511 54 HB3 GLU 10 2HB GLU 10 7.659 5.366 1.685 55 HG2 GLU 10 1HG GLU 10 9.289 6.690 0.436 56 HG3 GLU 10 2HG GLU 10 8.053 7.097 -0.754 57 H THR 11 H THR 11 8.692 2.803 1.626 58 HA THR 11 HA THR 11 6.516 0.866 1.162 59 HB THR 11 HB THR 11 9.271 0.289 2.288 60 HG1 THR 11 1HG THR 11 8.555 0.728 -0.231 61 HG21 THR 11 1HG2 THR 11 7.543 -1.291 3.032 62 HG22 THR 11 2HG2 THR 11 8.663 -2.062 1.909 63 HG23 THR 11 3HG2 THR 11 7.063 -1.561 1.356 64 H TYR 12 H TYR 12 5.084 0.845 2.686 65 HA TYR 12 HA TYR 12 5.833 1.319 5.496 66 HB2 TYR 12 2HB TYR 12 3.080 1.583 4.233 67 HB3 TYR 12 1HB TYR 12 3.558 2.091 5.857 68 HD1 TYR 12 1HD TYR 12 5.561 3.891 5.859 69 HD2 TYR 12 2HD TYR 12 2.924 3.154 2.606 70 HE1 TYR 12 1HE TYR 12 6.062 6.124 4.952 71 HE2 TYR 12 2HE TYR 12 3.406 5.369 1.687 72 HH TYR 12 HH TYR 12 5.987 7.279 2.721 73 H THR 13 H THR 13 4.077 0.131 6.962 74 HA THR 13 HA THR 13 3.760 -2.608 5.916 75 HB THR 13 HB THR 13 3.740 -3.323 8.317 76 HG1 THR 13 1HG THR 13 3.819 -1.865 9.845 77 HG21 THR 13 1HG2 THR 13 5.791 -3.491 6.961 78 HG22 THR 13 2HG2 THR 13 6.158 -3.153 8.653 79 HG23 THR 13 3HG2 THR 13 6.248 -1.860 7.457 80 H VAL 14 H VAL 14 1.772 -3.520 5.957 81 HA VAL 14 HA VAL 14 -0.445 -1.928 7.089 82 HB VAL 14 HB VAL 14 -1.842 -2.538 5.142 83 HG11 VAL 14 1HG1 VAL 14 -0.736 -0.366 5.173 84 HG12 VAL 14 2HG1 VAL 14 -0.831 -0.989 3.526 85 HG13 VAL 14 3HG1 VAL 14 0.695 -1.065 4.411 86 HG21 VAL 14 1HG2 VAL 14 0.728 -3.622 3.965 87 HG22 VAL 14 2HG2 VAL 14 -0.800 -3.438 3.103 88 HG23 VAL 14 3HG2 VAL 14 -0.678 -4.573 4.446 89 H SER 15 H SER 15 -2.387 -3.140 7.511 90 HA SER 15 HA SER 15 -1.904 -5.564 8.862 91 HB2 SER 15 1HB SER 15 -4.407 -5.609 9.105 92 HB3 SER 15 2HB SER 15 -3.670 -4.085 9.597 93 HG SER 15 HG SER 15 -5.179 -3.337 8.301 94 H SER 16 H SER 16 -3.410 -4.833 5.739 95 HA SER 16 HA SER 16 -2.984 -7.564 4.856 96 HB2 SER 16 1HB SER 16 -5.777 -6.384 4.991 97 HB3 SER 16 2HB SER 16 -5.346 -7.929 4.258 98 HG SER 16 HG SER 16 -4.353 -8.065 6.647 99 H SER 17 H SER 17 -3.786 -7.848 2.558 100 HA SER 17 HA SER 17 -2.514 -6.001 0.886 101 HB2 SER 17 1HB SER 17 -2.945 -8.425 0.371 102 HB3 SER 17 2HB SER 17 -4.638 -8.021 0.093 103 HG SER 17 HG SER 17 -2.430 -7.611 -1.494 104 H GLU 18 H GLU 18 -5.925 -6.464 1.700 105 HA GLU 18 HA GLU 18 -6.997 -4.504 -0.018 106 HB2 GLU 18 1HB GLU 18 -8.054 -5.466 2.651 107 HB3 GLU 18 2HB GLU 18 -8.971 -4.556 1.458 108 HG2 GLU 18 1HG GLU 18 -8.692 -6.406 -0.144 109 HG3 GLU 18 2HG GLU 18 -7.828 -7.321 1.091 110 H GLU 19 H GLU 19 -5.499 -4.315 3.136 111 HA GLU 19 HA GLU 19 -6.238 -1.619 3.691 112 HB2 GLU 19 1HB GLU 19 -5.465 -3.262 5.421 113 HB3 GLU 19 2HB GLU 19 -3.848 -3.167 4.736 114 HG2 GLU 19 1HG GLU 19 -3.963 -1.785 6.694 115 HG3 GLU 19 2HG GLU 19 -3.799 -0.753 5.273 116 H CYS 20 H CYS 20 -3.490 -3.202 2.132 117 HA CYS 20 HA CYS 20 -1.883 -0.966 1.641 118 HB2 CYS 20 2HB CYS 20 -1.030 -3.164 1.178 119 HB3 CYS 20 1HB CYS 20 -2.296 -3.472 -0.003 120 H GLU 21 H GLU 21 -4.259 -2.411 -0.649 121 HA GLU 21 HA GLU 21 -4.099 -0.342 -2.539 122 HB2 GLU 21 1HB GLU 21 -6.317 -1.197 -3.353 123 HB3 GLU 21 2HB GLU 21 -5.064 -2.415 -3.219 124 HG2 GLU 21 1HG GLU 21 -6.046 -3.175 -1.107 125 HG3 GLU 21 2HG GLU 21 -7.308 -1.956 -1.263 126 H ARG 22 H ARG 22 -6.268 -0.785 0.207 127 HA ARG 22 HA ARG 22 -7.919 1.423 -0.059 128 HB2 ARG 22 1HB ARG 22 -8.226 -0.268 1.689 129 HB3 ARG 22 2HB ARG 22 -6.740 0.244 2.474 130 HG2 ARG 22 1HG ARG 22 -8.636 1.110 3.678 131 HG3 ARG 22 2HG ARG 22 -7.758 2.443 2.925 132 HD2 ARG 22 1HD ARG 22 -10.153 2.754 2.672 133 HD3 ARG 22 2HD ARG 22 -9.404 2.482 1.100 134 HE ARG 22 HE ARG 22 -10.206 -0.004 1.860 135 HH11 ARG 22 1HH1 ARG 22 -11.853 3.076 1.623 136 HH12 ARG 22 2HH1 ARG 22 -13.385 2.367 1.220 137 HH21 ARG 22 1HH2 ARG 22 -12.221 -0.936 1.328 138 HH22 ARG 22 2HH2 ARG 22 -13.599 0.092 1.073 139 H LEU 23 H LEU 23 -4.749 1.229 1.532 140 HA LEU 23 HA LEU 23 -4.581 3.902 2.357 141 HB2 LEU 23 1HB LEU 23 -3.125 2.090 3.188 142 HB3 LEU 23 2HB LEU 23 -2.352 1.995 1.617 143 HG LEU 23 HG LEU 23 -1.495 4.304 1.921 144 HD11 LEU 23 1HD1 LEU 23 -3.208 5.178 3.401 145 HD12 LEU 23 2HD1 LEU 23 -1.617 5.353 4.141 146 HD13 LEU 23 3HD1 LEU 23 -2.704 4.069 4.676 147 HD21 LEU 23 1HD2 LEU 23 -0.081 2.419 2.517 148 HD22 LEU 23 2HD2 LEU 23 -0.784 2.376 4.135 149 HD23 LEU 23 3HD2 LEU 23 0.187 3.761 3.631 150 H CYS 24 H CYS 24 -3.474 2.302 -0.606 151 HA CYS 24 HA CYS 24 -2.210 4.453 -1.842 152 HB2 CYS 24 2HB CYS 24 -3.854 2.296 -3.188 153 HB3 CYS 24 1HB CYS 24 -2.591 3.266 -3.941 154 H ARG 25 H ARG 25 -5.581 3.375 -2.259 155 HA ARG 25 HA ARG 25 -6.365 5.456 -3.980 156 HB2 ARG 25 1HB ARG 25 -8.075 3.828 -2.084 157 HB3 ARG 25 2HB ARG 25 -8.667 4.757 -3.458 158 HG2 ARG 25 1HG ARG 25 -7.439 3.310 -4.988 159 HG3 ARG 25 2HG ARG 25 -6.781 2.408 -3.622 160 HD2 ARG 25 1HD ARG 25 -9.127 1.821 -2.978 161 HD3 ARG 25 2HD ARG 25 -9.670 2.572 -4.482 162 HE ARG 25 HE ARG 25 -7.753 0.773 -5.255 163 HH11 ARG 25 1HH1 ARG 25 -10.791 0.560 -3.513 164 HH12 ARG 25 2HH1 ARG 25 -11.074 -1.088 -3.976 165 HH21 ARG 25 1HH2 ARG 25 -8.147 -1.376 -5.866 166 HH22 ARG 25 2HH2 ARG 25 -9.580 -2.184 -5.315 167 H LYS 26 H LYS 26 -6.233 5.203 -0.498 168 HA LYS 26 HA LYS 26 -7.716 7.540 0.112 169 HB2 LYS 26 1HB LYS 26 -7.213 5.752 1.753 170 HB3 LYS 26 2HB LYS 26 -5.515 6.204 1.713 171 HG2 LYS 26 1HG LYS 26 -6.051 8.392 2.630 172 HG3 LYS 26 2HG LYS 26 -7.769 7.993 2.615 173 HD2 LYS 26 1HD LYS 26 -7.272 6.100 4.174 174 HD3 LYS 26 2HD LYS 26 -5.606 6.681 4.270 175 HE2 LYS 26 1HE LYS 26 -6.939 7.476 6.165 176 HE3 LYS 26 2HE LYS 26 -6.391 8.818 5.158 177 HZ1 LYS 26 1HZ LYS 26 -9.098 7.593 5.090 178 HZ2 LYS 26 2HZ LYS 26 -8.577 8.872 4.118 179 HZ3 LYS 26 3HZ LYS 26 -8.706 9.083 5.788 180 H LEU 27 H LEU 27 -4.230 6.938 -0.236 181 HA LEU 27 HA LEU 27 -3.513 9.687 0.190 182 HB2 LEU 27 1HB LEU 27 -1.889 7.396 -0.940 183 HB3 LEU 27 2HB LEU 27 -1.245 8.955 -0.463 184 HG LEU 27 HG LEU 27 -2.494 6.912 1.387 185 HD11 LEU 27 1HD1 LEU 27 0.374 7.810 1.081 186 HD12 LEU 27 2HD1 LEU 27 -0.286 6.244 0.607 187 HD13 LEU 27 3HD1 LEU 27 -0.236 6.698 2.310 188 HD21 LEU 27 1HD2 LEU 27 -2.971 9.184 2.135 189 HD22 LEU 27 2HD2 LEU 27 -1.260 9.597 2.015 190 HD23 LEU 27 3HD2 LEU 27 -1.799 8.406 3.199 191 H GLY 28 H GLY 28 -4.680 7.913 -2.451 192 HA2 GLY 28 1HA GLY 28 -5.328 8.750 -4.522 193 HA3 GLY 28 2HA GLY 28 -4.437 10.227 -4.185 194 H VAL 29 H VAL 29 -3.010 7.074 -3.863 195 HA VAL 29 HA VAL 29 -1.253 7.650 -6.159 196 HB VAL 29 HB VAL 29 -0.747 5.762 -3.840 197 HG11 VAL 29 1HG1 VAL 29 1.566 5.732 -4.653 198 HG12 VAL 29 2HG1 VAL 29 1.102 6.756 -6.015 199 HG13 VAL 29 3HG1 VAL 29 0.441 5.126 -5.872 200 HG21 VAL 29 1HG2 VAL 29 -0.820 8.078 -3.061 201 HG22 VAL 29 2HG2 VAL 29 0.348 8.542 -4.300 202 HG23 VAL 29 3HG2 VAL 29 0.825 7.445 -3.003 203 H THR 30 H THR 30 -1.006 6.130 -7.773 204 HA THR 30 HA THR 30 -3.112 4.091 -7.862 205 HB THR 30 HB THR 30 -2.592 4.030 -10.314 206 HG1 THR 30 1HG THR 30 -1.311 6.222 -10.734 207 HG21 THR 30 1HG2 THR 30 -3.240 6.760 -9.173 208 HG22 THR 30 2HG2 THR 30 -4.393 5.462 -9.487 209 HG23 THR 30 3HG2 THR 30 -3.555 6.241 -10.829 210 H ASN 31 H ASN 31 0.354 4.434 -7.813 211 HA ASN 31 HA ASN 31 0.692 1.585 -8.479 212 HB2 ASN 31 1HB ASN 31 2.633 3.902 -8.593 213 HB3 ASN 31 2HB ASN 31 3.127 2.223 -8.790 214 HD21 ASN 31 1HD2 ASN 31 1.188 4.183 -11.771 215 HD22 ASN 31 2HD2 ASN 31 1.296 4.851 -10.180 216 H CYS 32 H CYS 32 0.980 0.248 -6.903 217 HA CYS 32 HA CYS 32 2.618 0.945 -4.556 218 HB2 CYS 32 2HB CYS 32 -0.126 -0.356 -4.383 219 HB3 CYS 32 1HB CYS 32 0.966 -0.027 -3.038 220 H ARG 33 H ARG 33 3.255 -1.068 -3.389 221 HA ARG 33 HA ARG 33 2.994 -3.536 -4.992 222 HB2 ARG 33 1HB ARG 33 5.262 -2.440 -5.246 223 HB3 ARG 33 2HB ARG 33 5.509 -2.709 -3.530 224 HG2 ARG 33 1HG ARG 33 5.291 -5.132 -3.889 225 HG3 ARG 33 2HG ARG 33 5.117 -4.841 -5.621 226 HD2 ARG 33 1HD ARG 33 7.517 -4.303 -3.878 227 HD3 ARG 33 2HD ARG 33 7.396 -5.411 -5.247 228 HE ARG 33 HE ARG 33 7.147 -2.491 -5.601 229 HH11 ARG 33 1HH1 ARG 33 8.653 -5.540 -6.437 230 HH12 ARG 33 2HH1 ARG 33 9.570 -4.860 -7.744 231 HH21 ARG 33 1HH2 ARG 33 8.322 -1.605 -7.309 232 HH22 ARG 33 2HH2 ARG 33 9.378 -2.616 -8.250 233 H VAL 34 H VAL 34 2.316 -5.260 -3.813 234 HA VAL 34 HA VAL 34 2.227 -4.892 -0.884 235 HB VAL 34 HB VAL 34 -0.001 -4.802 -1.866 236 HG11 VAL 34 1HG1 VAL 34 0.393 -6.100 -3.893 237 HG12 VAL 34 2HG1 VAL 34 -0.994 -6.731 -3.005 238 HG13 VAL 34 3HG1 VAL 34 0.554 -7.573 -2.935 239 HG21 VAL 34 1HG2 VAL 34 -1.085 -6.535 -0.516 240 HG22 VAL 34 2HG2 VAL 34 0.246 -5.782 0.363 241 HG23 VAL 34 3HG2 VAL 34 0.456 -7.381 -0.352 242 H HIS 35 H HIS 35 3.048 -6.408 0.405 243 HA HIS 35 HA HIS 35 3.460 -9.133 -0.528 244 HB2 HIS 35 1HB HIS 35 5.571 -8.206 -1.202 245 HB3 HIS 35 2HB HIS 35 5.722 -7.292 0.296 246 HD1 HIS 35 HD1 HIS 35 6.967 -8.396 2.175 247 HD2 HIS 35 HD2 HIS 35 5.909 -11.091 -0.811 248 HE1 HIS 35 HE1 HIS 35 8.098 -10.553 2.780 249 HE2 HIS 35 HE2 HIS 35 7.344 -12.202 1.034 250 H CYS 36 H CYS 36 2.852 -10.456 1.093 251 HA CYS 36 HA CYS 36 2.913 -9.377 3.844 252 HB2 CYS 36 2HB CYS 36 1.087 -11.530 2.741 253 HB3 CYS 36 1HB CYS 36 1.018 -10.820 4.349 254 H GLY 37 H GLY 37 3.941 -10.531 5.410 255 HA2 GLY 37 1HA GLY 37 5.815 -12.524 4.634 256 HA3 GLY 37 2HA GLY 37 5.454 -12.021 6.280 Start of MODEL 10 1 H1 ALA 1 1H ALA 1 6.739 -10.582 11.843 2 H2 ALA 1 2H ALA 1 5.926 -11.145 10.476 3 H3 ALA 1 3H ALA 1 5.114 -11.041 11.953 4 HA ALA 1 HA ALA 1 5.270 -8.659 11.937 5 HB1 ALA 1 1HB ALA 1 6.697 -9.068 9.300 6 HB2 ALA 1 2HB ALA 1 7.410 -8.454 10.792 7 HB3 ALA 1 3HB ALA 1 6.184 -7.510 9.947 8 HA PRO 2 HA PRO 2 1.493 -8.735 9.485 9 HB2 PRO 2 2HB PRO 2 1.106 -6.103 8.952 10 HB3 PRO 2 1HB PRO 2 0.872 -6.778 10.570 11 HG2 PRO 2 2HG PRO 2 3.244 -5.321 9.452 12 HG3 PRO 2 1HG PRO 2 2.433 -5.093 11.014 13 HD2 PRO 2 2HD PRO 2 4.715 -6.530 10.770 14 HD3 PRO 2 1HD PRO 2 3.462 -6.941 11.960 15 H CYS 3 H CYS 3 0.874 -6.949 7.360 16 HA CYS 3 HA CYS 3 2.637 -8.027 5.302 17 HB2 CYS 3 2HB CYS 3 0.163 -8.166 5.024 18 HB3 CYS 3 1HB CYS 3 0.094 -6.407 4.984 19 H GLU 4 H GLU 4 3.502 -6.653 3.640 20 HA GLU 4 HA GLU 4 4.171 -3.948 4.594 21 HB2 GLU 4 1HB GLU 4 5.795 -5.766 2.789 22 HB3 GLU 4 2HB GLU 4 6.275 -4.170 3.343 23 HG2 GLU 4 1HG GLU 4 6.250 -5.023 5.672 24 HG3 GLU 4 2HG GLU 4 5.887 -6.630 5.042 25 H CYS 5 H CYS 5 4.523 -2.350 2.885 26 HA CYS 5 HA CYS 5 3.234 -2.866 0.337 27 HB2 CYS 5 2HB CYS 5 2.263 -0.867 2.385 28 HB3 CYS 5 1HB CYS 5 1.785 -0.851 0.698 29 H ASP 6 H ASP 6 3.401 -0.953 -1.098 30 HA ASP 6 HA ASP 6 5.483 0.969 -0.376 31 HB2 ASP 6 1HB ASP 6 6.524 -0.995 -1.625 32 HB3 ASP 6 2HB ASP 6 5.556 -0.512 -3.012 33 H VAL 7 H VAL 7 5.419 2.856 -1.664 34 HA VAL 7 HA VAL 7 3.077 3.285 -3.348 35 HB VAL 7 HB VAL 7 3.749 5.071 -0.983 36 HG11 VAL 7 1HG1 VAL 7 1.648 6.232 -1.572 37 HG12 VAL 7 2HG1 VAL 7 1.508 5.210 -3.005 38 HG13 VAL 7 3HG1 VAL 7 2.863 6.330 -2.848 39 HG21 VAL 7 1HG2 VAL 7 1.587 4.336 -0.034 40 HG22 VAL 7 2HG2 VAL 7 2.747 3.015 -0.170 41 HG23 VAL 7 3HG2 VAL 7 1.432 3.158 -1.338 42 H ASN 8 H ASN 8 4.317 3.657 -5.123 43 HA ASN 8 HA ASN 8 5.613 4.752 -6.612 44 HB2 ASN 8 1HB ASN 8 4.033 6.565 -5.997 45 HB3 ASN 8 2HB ASN 8 5.164 7.118 -4.770 46 HD21 ASN 8 1HD2 ASN 8 5.804 7.908 -8.720 47 HD22 ASN 8 2HD2 ASN 8 4.672 6.703 -8.218 48 H GLY 9 H GLY 9 6.851 3.767 -3.859 49 HA2 GLY 9 1HA GLY 9 9.387 3.512 -4.200 50 HA3 GLY 9 2HA GLY 9 9.388 5.264 -4.064 51 H GLU 10 H GLU 10 7.273 5.271 -2.013 52 HA GLU 10 HA GLU 10 9.032 4.861 0.270 53 HB2 GLU 10 1HB GLU 10 6.232 6.004 0.066 54 HB3 GLU 10 2HB GLU 10 7.181 5.947 1.546 55 HG2 GLU 10 1HG GLU 10 8.844 7.412 0.591 56 HG3 GLU 10 2HG GLU 10 8.008 7.400 -0.960 57 H THR 11 H THR 11 8.614 3.438 2.009 58 HA THR 11 HA THR 11 6.800 1.230 1.254 59 HB THR 11 HB THR 11 9.373 1.062 2.845 60 HG1 THR 11 1HG THR 11 8.777 0.840 0.106 61 HG21 THR 11 1HG2 THR 11 9.146 -1.368 2.510 62 HG22 THR 11 2HG2 THR 11 7.589 -1.114 1.719 63 HG23 THR 11 3HG2 THR 11 7.788 -0.717 3.428 64 H TYR 12 H TYR 12 5.335 0.536 2.669 65 HA TYR 12 HA TYR 12 5.371 1.539 5.448 66 HB2 TYR 12 2HB TYR 12 2.969 1.350 3.596 67 HB3 TYR 12 1HB TYR 12 2.903 1.790 5.299 68 HD1 TYR 12 1HD TYR 12 3.839 3.975 6.043 69 HD2 TYR 12 2HD TYR 12 3.595 2.940 1.917 70 HE1 TYR 12 1HE TYR 12 4.129 6.337 5.434 71 HE2 TYR 12 2HE TYR 12 3.894 5.303 1.303 72 HH TYR 12 HH TYR 12 4.964 7.643 3.460 73 H THR 13 H THR 13 3.546 0.245 6.708 74 HA THR 13 HA THR 13 3.399 -2.547 5.782 75 HB THR 13 HB THR 13 3.593 -3.243 8.233 76 HG1 THR 13 1HG THR 13 3.652 -0.662 8.621 77 HG21 THR 13 1HG2 THR 13 6.043 -3.256 8.209 78 HG22 THR 13 2HG2 THR 13 6.043 -2.048 6.924 79 HG23 THR 13 3HG2 THR 13 5.389 -3.658 6.619 80 H VAL 14 H VAL 14 1.453 -3.520 6.082 81 HA VAL 14 HA VAL 14 -0.645 -2.031 7.520 82 HB VAL 14 HB VAL 14 -2.231 -2.527 5.680 83 HG11 VAL 14 1HG1 VAL 14 0.191 -0.944 4.790 84 HG12 VAL 14 2HG1 VAL 14 -1.145 -0.331 5.767 85 HG13 VAL 14 3HG1 VAL 14 -1.430 -0.831 4.099 86 HG21 VAL 14 1HG2 VAL 14 -1.093 -4.474 4.730 87 HG22 VAL 14 2HG2 VAL 14 0.230 -3.440 4.178 88 HG23 VAL 14 3HG2 VAL 14 -1.383 -3.248 3.493 89 H SER 15 H SER 15 -2.681 -3.413 7.695 90 HA SER 15 HA SER 15 -2.065 -5.841 9.000 91 HB2 SER 15 1HB SER 15 -4.009 -4.446 9.610 92 HB3 SER 15 2HB SER 15 -4.754 -4.799 8.052 93 HG SER 15 HG SER 15 -5.642 -6.325 9.246 94 H SER 16 H SER 16 -3.601 -5.157 5.858 95 HA SER 16 HA SER 16 -2.747 -7.730 4.828 96 HB2 SER 16 1HB SER 16 -5.066 -8.367 4.140 97 HB3 SER 16 2HB SER 16 -4.854 -8.349 5.892 98 HG SER 16 HG SER 16 -6.762 -7.297 5.374 99 H SER 17 H SER 17 -3.553 -7.964 2.489 100 HA SER 17 HA SER 17 -2.709 -5.830 0.921 101 HB2 SER 17 1HB SER 17 -4.022 -7.148 -0.909 102 HB3 SER 17 2HB SER 17 -2.668 -7.941 -0.103 103 HG SER 17 HG SER 17 -5.245 -8.684 -0.168 104 H GLU 18 H GLU 18 -5.896 -6.681 2.100 105 HA GLU 18 HA GLU 18 -7.506 -4.936 0.640 106 HB2 GLU 18 1HB GLU 18 -7.769 -5.703 3.561 107 HB3 GLU 18 2HB GLU 18 -9.063 -5.101 2.530 108 HG2 GLU 18 1HG GLU 18 -9.076 -7.086 1.231 109 HG3 GLU 18 2HG GLU 18 -7.569 -7.651 1.952 110 H GLU 19 H GLU 19 -6.109 -4.422 3.872 111 HA GLU 19 HA GLU 19 -6.679 -1.702 4.137 112 HB2 GLU 19 1HB GLU 19 -4.449 -3.382 5.306 113 HB3 GLU 19 2HB GLU 19 -4.774 -1.726 5.801 114 HG2 GLU 19 1HG GLU 19 -6.767 -3.980 5.996 115 HG3 GLU 19 2HG GLU 19 -5.723 -3.450 7.315 116 H CYS 20 H CYS 20 -4.059 -3.359 2.529 117 HA CYS 20 HA CYS 20 -2.279 -1.205 2.197 118 HB2 CYS 20 2HB CYS 20 -1.869 -3.703 1.787 119 HB3 CYS 20 1HB CYS 20 -2.639 -3.466 0.221 120 H GLU 21 H GLU 21 -4.621 -2.600 -0.098 121 HA GLU 21 HA GLU 21 -4.434 -0.680 -2.090 122 HB2 GLU 21 1HB GLU 21 -6.837 -2.304 -1.212 123 HB3 GLU 21 2HB GLU 21 -6.769 -1.366 -2.698 124 HG2 GLU 21 1HG GLU 21 -4.934 -3.658 -2.010 125 HG3 GLU 21 2HG GLU 21 -6.357 -3.770 -3.045 126 H ARG 22 H ARG 22 -6.683 -0.800 0.686 127 HA ARG 22 HA ARG 22 -8.103 1.499 0.250 128 HB2 ARG 22 1HB ARG 22 -7.191 0.070 2.734 129 HB3 ARG 22 2HB ARG 22 -8.174 1.505 2.825 130 HG2 ARG 22 1HG ARG 22 -8.964 -0.973 1.323 131 HG3 ARG 22 2HG ARG 22 -9.464 -0.607 2.976 132 HD2 ARG 22 1HD ARG 22 -10.051 1.115 0.560 133 HD3 ARG 22 2HD ARG 22 -11.185 -0.013 1.301 134 HE ARG 22 HE ARG 22 -10.130 1.941 3.137 135 HH11 ARG 22 1HH1 ARG 22 -12.637 1.302 0.771 136 HH12 ARG 22 2HH1 ARG 22 -13.746 2.443 1.464 137 HH21 ARG 22 1HH2 ARG 22 -11.570 3.440 4.034 138 HH22 ARG 22 2HH2 ARG 22 -13.133 3.679 3.308 139 H LEU 23 H LEU 23 -4.971 1.117 1.880 140 HA LEU 23 HA LEU 23 -4.659 3.786 2.694 141 HB2 LEU 23 1HB LEU 23 -3.301 1.952 3.582 142 HB3 LEU 23 2HB LEU 23 -2.557 1.719 2.012 143 HG LEU 23 HG LEU 23 -1.527 3.969 2.182 144 HD11 LEU 23 1HD1 LEU 23 -2.729 3.984 4.951 145 HD12 LEU 23 2HD1 LEU 23 -3.153 5.055 3.616 146 HD13 LEU 23 3HD1 LEU 23 -1.548 5.143 4.340 147 HD21 LEU 23 1HD2 LEU 23 -0.294 1.971 2.909 148 HD22 LEU 23 2HD2 LEU 23 -0.926 2.182 4.543 149 HD23 LEU 23 3HD2 LEU 23 0.150 3.396 3.849 150 H CYS 24 H CYS 24 -3.148 2.128 -0.100 151 HA CYS 24 HA CYS 24 -1.925 4.443 -1.119 152 HB2 CYS 24 2HB CYS 24 -2.672 1.871 -2.534 153 HB3 CYS 24 1HB CYS 24 -1.599 3.105 -3.194 154 H ARG 25 H ARG 25 -5.045 2.953 -1.936 155 HA ARG 25 HA ARG 25 -5.626 4.688 -4.110 156 HB2 ARG 25 1HB ARG 25 -7.642 3.231 -2.378 157 HB3 ARG 25 2HB ARG 25 -7.901 3.843 -4.005 158 HG2 ARG 25 1HG ARG 25 -6.071 1.583 -3.212 159 HG3 ARG 25 2HG ARG 25 -7.629 1.439 -4.017 160 HD2 ARG 25 1HD ARG 25 -6.786 2.404 -6.014 161 HD3 ARG 25 2HD ARG 25 -5.310 2.949 -5.213 162 HE ARG 25 HE ARG 25 -5.262 0.248 -4.885 163 HH11 ARG 25 1HH1 ARG 25 -5.654 2.259 -7.731 164 HH12 ARG 25 2HH1 ARG 25 -4.802 1.163 -8.769 165 HH21 ARG 25 1HH2 ARG 25 -4.173 -1.186 -6.228 166 HH22 ARG 25 2HH2 ARG 25 -3.937 -0.801 -7.910 167 H LYS 26 H LYS 26 -6.417 4.771 -0.645 168 HA LYS 26 HA LYS 26 -8.057 7.071 -0.742 169 HB2 LYS 26 1HB LYS 26 -7.997 5.554 1.196 170 HB3 LYS 26 2HB LYS 26 -6.346 6.056 1.541 171 HG2 LYS 26 1HG LYS 26 -7.113 8.333 1.972 172 HG3 LYS 26 2HG LYS 26 -8.769 7.854 1.594 173 HD2 LYS 26 1HD LYS 26 -8.460 7.926 3.996 174 HD3 LYS 26 2HD LYS 26 -8.715 6.259 3.481 175 HE2 LYS 26 1HE LYS 26 -6.318 5.832 3.622 176 HE3 LYS 26 2HE LYS 26 -6.028 7.516 4.063 177 HZ1 LYS 26 1HZ LYS 26 -7.333 7.169 6.072 178 HZ2 LYS 26 2HZ LYS 26 -6.032 6.097 6.004 179 HZ3 LYS 26 3HZ LYS 26 -7.592 5.552 5.649 180 H LEU 27 H LEU 27 -4.573 6.655 -0.228 181 HA LEU 27 HA LEU 27 -3.924 9.374 0.105 182 HB2 LEU 27 1HB LEU 27 -2.283 7.149 -1.138 183 HB3 LEU 27 2HB LEU 27 -1.649 8.721 -0.683 184 HG LEU 27 HG LEU 27 -2.785 6.656 1.218 185 HD11 LEU 27 1HD1 LEU 27 0.059 7.569 0.780 186 HD12 LEU 27 2HD1 LEU 27 -0.616 6.004 0.327 187 HD13 LEU 27 3HD1 LEU 27 -0.489 6.448 2.027 188 HD21 LEU 27 1HD2 LEU 27 -2.018 8.144 3.001 189 HD22 LEU 27 2HD2 LEU 27 -3.229 8.933 1.993 190 HD23 LEU 27 3HD2 LEU 27 -1.523 9.339 1.799 191 H GLY 28 H GLY 28 -4.447 7.371 -2.729 192 HA2 GLY 28 1HA GLY 28 -5.485 8.288 -4.677 193 HA3 GLY 28 2HA GLY 28 -4.726 9.834 -4.326 194 H VAL 29 H VAL 29 -2.879 6.926 -4.037 195 HA VAL 29 HA VAL 29 -1.435 7.619 -6.521 196 HB VAL 29 HB VAL 29 -0.297 6.233 -4.078 197 HG11 VAL 29 1HG1 VAL 29 0.816 5.587 -6.151 198 HG12 VAL 29 2HG1 VAL 29 1.874 6.596 -5.168 199 HG13 VAL 29 3HG1 VAL 29 1.054 7.286 -6.570 200 HG21 VAL 29 1HG2 VAL 29 0.922 8.317 -3.649 201 HG22 VAL 29 2HG2 VAL 29 -0.822 8.572 -3.576 202 HG23 VAL 29 3HG2 VAL 29 0.087 9.087 -4.997 203 H THR 30 H THR 30 -1.771 6.203 -8.070 204 HA THR 30 HA THR 30 -2.885 3.609 -7.593 205 HB THR 30 HB THR 30 -1.779 4.804 -10.150 206 HG1 THR 30 1HG THR 30 -4.144 5.157 -8.746 207 HG21 THR 30 1HG2 THR 30 -1.970 2.364 -10.279 208 HG22 THR 30 2HG2 THR 30 -3.202 3.135 -11.278 209 HG23 THR 30 3HG2 THR 30 -3.638 2.454 -9.711 210 H ASN 31 H ASN 31 0.283 4.908 -8.454 211 HA ASN 31 HA ASN 31 1.502 2.364 -8.880 212 HB2 ASN 31 1HB ASN 31 2.379 4.510 -9.835 213 HB3 ASN 31 2HB ASN 31 2.866 4.990 -8.213 214 HD21 ASN 31 1HD2 ASN 31 5.014 2.239 -10.309 215 HD22 ASN 31 2HD2 ASN 31 3.440 2.735 -10.829 216 H CYS 32 H CYS 32 0.882 1.181 -7.133 217 HA CYS 32 HA CYS 32 2.377 1.613 -4.629 218 HB2 CYS 32 2HB CYS 32 0.149 2.407 -4.139 219 HB3 CYS 32 1HB CYS 32 -0.591 1.034 -4.950 220 H ARG 33 H ARG 33 2.459 -0.485 -3.364 221 HA ARG 33 HA ARG 33 2.236 -2.877 -5.043 222 HB2 ARG 33 1HB ARG 33 4.480 -1.869 -5.455 223 HB3 ARG 33 2HB ARG 33 4.831 -2.022 -3.743 224 HG2 ARG 33 1HG ARG 33 4.680 -4.452 -3.907 225 HG3 ARG 33 2HG ARG 33 4.290 -4.313 -5.625 226 HD2 ARG 33 1HD ARG 33 6.859 -3.473 -4.273 227 HD3 ARG 33 2HD ARG 33 6.642 -4.826 -5.385 228 HE ARG 33 HE ARG 33 5.887 -2.876 -6.970 229 HH11 ARG 33 1HH1 ARG 33 8.580 -2.870 -4.716 230 HH12 ARG 33 2HH1 ARG 33 9.508 -1.741 -5.647 231 HH21 ARG 33 1HH2 ARG 33 7.114 -1.383 -8.176 232 HH22 ARG 33 2HH2 ARG 33 8.683 -0.899 -7.613 233 H VAL 34 H VAL 34 2.037 -4.778 -3.877 234 HA VAL 34 HA VAL 34 1.790 -4.450 -0.952 235 HB VAL 34 HB VAL 34 0.214 -6.350 -2.716 236 HG11 VAL 34 1HG1 VAL 34 -0.082 -5.662 0.212 237 HG12 VAL 34 2HG1 VAL 34 0.529 -7.183 -0.441 238 HG13 VAL 34 3HG1 VAL 34 -1.152 -6.719 -0.709 239 HG21 VAL 34 1HG2 VAL 34 -1.719 -4.886 -2.275 240 HG22 VAL 34 2HG2 VAL 34 -0.450 -4.048 -3.169 241 HG23 VAL 34 3HG2 VAL 34 -0.658 -3.747 -1.444 242 H HIS 35 H HIS 35 2.718 -5.971 0.354 243 HA HIS 35 HA HIS 35 3.816 -8.415 -0.841 244 HB2 HIS 35 1HB HIS 35 5.668 -6.772 -0.814 245 HB3 HIS 35 2HB HIS 35 5.417 -6.510 0.909 246 HD1 HIS 35 HD1 HIS 35 7.681 -8.141 -1.179 247 HD2 HIS 35 HD2 HIS 35 5.660 -9.311 2.256 248 HE1 HIS 35 HE1 HIS 35 8.944 -10.121 -0.291 249 HE2 HIS 35 HE2 HIS 35 7.569 -10.937 1.657 250 H CYS 36 H CYS 36 2.425 -9.759 0.261 251 HA CYS 36 HA CYS 36 2.451 -9.555 3.208 252 HB2 CYS 36 2HB CYS 36 0.375 -10.851 1.413 253 HB3 CYS 36 1HB CYS 36 0.332 -10.842 3.170 254 H GLY 37 H GLY 37 4.101 -10.830 3.819 255 HA2 GLY 37 1HA GLY 37 4.551 -13.210 4.365 256 HA3 GLY 37 2HA GLY 37 4.266 -13.550 2.662 Start of MODEL 11 1 H1 ALA 1 1H ALA 1 -1.298 -11.926 9.885 2 H2 ALA 1 2H ALA 1 -1.453 -10.629 8.811 3 H3 ALA 1 3H ALA 1 -1.462 -10.351 10.476 4 HA ALA 1 HA ALA 1 0.815 -11.069 10.662 5 HB1 ALA 1 1HB ALA 1 0.749 -12.686 8.799 6 HB2 ALA 1 2HB ALA 1 2.119 -11.583 8.665 7 HB3 ALA 1 3HB ALA 1 0.695 -11.348 7.652 8 HA PRO 2 HA PRO 2 1.718 -6.757 9.882 9 HB2 PRO 2 2HB PRO 2 4.365 -6.640 10.201 10 HB3 PRO 2 1HB PRO 2 3.324 -7.104 11.558 11 HG2 PRO 2 2HG PRO 2 4.798 -8.878 9.631 12 HG3 PRO 2 1HG PRO 2 4.851 -8.913 11.409 13 HD2 PRO 2 2HD PRO 2 3.254 -10.577 10.014 14 HD3 PRO 2 1HD PRO 2 2.731 -9.885 11.566 15 H CYS 3 H CYS 3 1.011 -7.413 7.604 16 HA CYS 3 HA CYS 3 2.924 -7.707 5.541 17 HB2 CYS 3 2HB CYS 3 0.014 -6.997 5.627 18 HB3 CYS 3 1HB CYS 3 0.909 -6.713 4.139 19 H GLU 4 H GLU 4 2.929 -6.029 3.720 20 HA GLU 4 HA GLU 4 3.360 -3.338 4.803 21 HB2 GLU 4 1HB GLU 4 5.280 -4.853 3.009 22 HB3 GLU 4 2HB GLU 4 5.480 -3.191 3.560 23 HG2 GLU 4 1HG GLU 4 5.687 -3.937 5.854 24 HG3 GLU 4 2HG GLU 4 5.376 -5.601 5.368 25 H CYS 5 H CYS 5 3.888 -1.848 2.839 26 HA CYS 5 HA CYS 5 2.373 -2.520 0.448 27 HB2 CYS 5 2HB CYS 5 0.783 -1.593 2.256 28 HB3 CYS 5 1HB CYS 5 1.619 -0.060 2.045 29 H ASP 6 H ASP 6 3.225 -1.437 -1.320 30 HA ASP 6 HA ASP 6 5.491 0.333 -0.721 31 HB2 ASP 6 1HB ASP 6 5.073 -1.851 -2.734 32 HB3 ASP 6 2HB ASP 6 6.217 -0.573 -3.061 33 H VAL 7 H VAL 7 4.857 2.330 -1.108 34 HA VAL 7 HA VAL 7 3.177 2.968 -3.429 35 HB VAL 7 HB VAL 7 3.528 4.538 -0.856 36 HG11 VAL 7 1HG1 VAL 7 2.991 5.979 -2.718 37 HG12 VAL 7 2HG1 VAL 7 1.588 5.837 -1.658 38 HG13 VAL 7 3HG1 VAL 7 1.640 4.942 -3.178 39 HG21 VAL 7 1HG2 VAL 7 1.243 2.753 -1.714 40 HG22 VAL 7 2HG2 VAL 7 1.221 3.826 -0.315 41 HG23 VAL 7 3HG2 VAL 7 2.355 2.477 -0.370 42 H ASN 8 H ASN 8 4.441 3.740 -5.021 43 HA ASN 8 HA ASN 8 5.980 4.968 -6.170 44 HB2 ASN 8 1HB ASN 8 4.728 6.840 -5.149 45 HB3 ASN 8 2HB ASN 8 5.790 6.793 -3.749 46 HD21 ASN 8 1HD2 ASN 8 7.526 9.376 -5.316 47 HD22 ASN 8 2HD2 ASN 8 6.473 8.896 -4.032 48 H GLY 9 H GLY 9 6.822 2.963 -4.055 49 HA2 GLY 9 1HA GLY 9 9.036 2.058 -3.997 50 HA3 GLY 9 2HA GLY 9 9.676 3.692 -4.091 51 H GLU 10 H GLU 10 7.533 4.443 -2.030 52 HA GLU 10 HA GLU 10 9.153 4.020 0.307 53 HB2 GLU 10 1HB GLU 10 6.327 5.104 0.193 54 HB3 GLU 10 2HB GLU 10 7.517 5.359 1.463 55 HG2 GLU 10 1HG GLU 10 7.655 6.427 -1.354 56 HG3 GLU 10 2HG GLU 10 7.252 7.346 0.095 57 H THR 11 H THR 11 8.656 2.711 2.099 58 HA THR 11 HA THR 11 6.675 0.600 1.529 59 HB THR 11 HB THR 11 9.160 0.319 3.247 60 HG1 THR 11 1HG THR 11 8.679 -0.326 0.508 61 HG21 THR 11 1HG2 THR 11 7.278 -1.755 2.086 62 HG22 THR 11 2HG2 THR 11 7.341 -1.259 3.778 63 HG23 THR 11 3HG2 THR 11 8.718 -2.085 3.050 64 H TYR 12 H TYR 12 4.981 0.623 2.786 65 HA TYR 12 HA TYR 12 5.145 1.684 5.536 66 HB2 TYR 12 2HB TYR 12 2.788 1.531 3.622 67 HB3 TYR 12 1HB TYR 12 2.680 2.088 5.285 68 HD1 TYR 12 1HD TYR 12 3.746 4.241 5.942 69 HD2 TYR 12 2HD TYR 12 3.617 2.956 1.884 70 HE1 TYR 12 1HE TYR 12 4.242 6.529 5.204 71 HE2 TYR 12 2HE TYR 12 4.118 5.246 1.139 72 HH TYR 12 HH TYR 12 3.882 7.564 2.010 73 H THR 13 H THR 13 3.479 0.583 7.027 74 HA THR 13 HA THR 13 3.345 -2.300 6.387 75 HB THR 13 HB THR 13 3.057 -2.458 9.001 76 HG1 THR 13 1HG THR 13 3.320 -0.611 9.965 77 HG21 THR 13 1HG2 THR 13 4.901 -3.492 7.818 78 HG22 THR 13 2HG2 THR 13 5.504 -2.687 9.268 79 HG23 THR 13 3HG2 THR 13 5.726 -1.936 7.686 80 H VAL 14 H VAL 14 1.444 -3.334 6.510 81 HA VAL 14 HA VAL 14 -0.922 -1.907 7.499 82 HB VAL 14 HB VAL 14 -2.218 -2.541 5.491 83 HG11 VAL 14 1HG1 VAL 14 -1.286 -0.290 5.619 84 HG12 VAL 14 2HG1 VAL 14 -1.297 -0.864 3.950 85 HG13 VAL 14 3HG1 VAL 14 0.210 -0.850 4.868 86 HG21 VAL 14 1HG2 VAL 14 -1.069 -3.295 3.460 87 HG22 VAL 14 2HG2 VAL 14 -0.867 -4.453 4.774 88 HG23 VAL 14 3HG2 VAL 14 0.456 -3.368 4.341 89 H SER 15 H SER 15 -2.836 -3.381 7.553 90 HA SER 15 HA SER 15 -2.275 -5.755 8.936 91 HB2 SER 15 1HB SER 15 -4.857 -4.896 7.591 92 HB3 SER 15 2HB SER 15 -4.706 -6.147 8.827 93 HG SER 15 HG SER 15 -4.354 -3.349 9.072 94 H SER 16 H SER 16 -3.333 -5.200 5.587 95 HA SER 16 HA SER 16 -2.099 -7.561 4.612 96 HB2 SER 16 1HB SER 16 -4.239 -8.719 3.925 97 HB3 SER 16 2HB SER 16 -3.930 -8.734 5.661 98 HG SER 16 HG SER 16 -5.772 -7.776 5.890 99 H SER 17 H SER 17 -3.308 -8.051 2.306 100 HA SER 17 HA SER 17 -2.676 -6.014 0.581 101 HB2 SER 17 1HB SER 17 -4.872 -8.041 0.085 102 HB3 SER 17 2HB SER 17 -3.815 -7.287 -1.111 103 HG SER 17 HG SER 17 -2.486 -8.864 -0.764 104 H GLU 18 H GLU 18 -5.769 -6.718 2.091 105 HA GLU 18 HA GLU 18 -7.481 -4.986 0.822 106 HB2 GLU 18 1HB GLU 18 -7.393 -5.529 3.802 107 HB3 GLU 18 2HB GLU 18 -8.793 -4.990 2.884 108 HG2 GLU 18 1HG GLU 18 -7.392 -7.634 2.516 109 HG3 GLU 18 2HG GLU 18 -8.866 -7.384 3.449 110 H GLU 19 H GLU 19 -5.499 -4.301 3.687 111 HA GLU 19 HA GLU 19 -6.345 -1.567 3.791 112 HB2 GLU 19 1HB GLU 19 -5.833 -2.857 5.825 113 HB3 GLU 19 2HB GLU 19 -4.149 -2.970 5.327 114 HG2 GLU 19 1HG GLU 19 -3.787 -0.662 5.638 115 HG3 GLU 19 2HG GLU 19 -5.514 -0.323 5.725 116 H CYS 20 H CYS 20 -3.600 -3.285 2.456 117 HA CYS 20 HA CYS 20 -1.878 -1.104 2.002 118 HB2 CYS 20 2HB CYS 20 -1.091 -3.362 1.636 119 HB3 CYS 20 1HB CYS 20 -2.311 -3.641 0.402 120 H GLU 21 H GLU 21 -4.192 -2.619 -0.246 121 HA GLU 21 HA GLU 21 -4.071 -0.660 -2.230 122 HB2 GLU 21 1HB GLU 21 -6.355 -2.503 -1.486 123 HB3 GLU 21 2HB GLU 21 -6.282 -1.556 -2.969 124 HG2 GLU 21 1HG GLU 21 -4.247 -2.755 -3.633 125 HG3 GLU 21 2HG GLU 21 -4.334 -3.710 -2.153 126 H ARG 22 H ARG 22 -6.217 -0.958 0.582 127 HA ARG 22 HA ARG 22 -7.849 1.257 0.060 128 HB2 ARG 22 1HB ARG 22 -8.410 -0.363 1.795 129 HB3 ARG 22 2HB ARG 22 -6.996 0.110 2.730 130 HG2 ARG 22 1HG ARG 22 -7.925 2.303 3.130 131 HG3 ARG 22 2HG ARG 22 -9.287 1.960 2.061 132 HD2 ARG 22 1HD ARG 22 -9.993 1.742 4.354 133 HD3 ARG 22 2HD ARG 22 -9.993 0.155 3.591 134 HE ARG 22 HE ARG 22 -7.755 1.035 5.309 135 HH11 ARG 22 1HH1 ARG 22 -10.176 -1.319 4.407 136 HH12 ARG 22 2HH1 ARG 22 -9.774 -2.417 5.693 137 HH21 ARG 22 1HH2 ARG 22 -7.208 -0.424 7.003 138 HH22 ARG 22 2HH2 ARG 22 -8.103 -1.903 7.168 139 H LEU 23 H LEU 23 -4.723 1.053 1.707 140 HA LEU 23 HA LEU 23 -4.651 3.719 2.637 141 HB2 LEU 23 1HB LEU 23 -3.183 1.939 3.506 142 HB3 LEU 23 2HB LEU 23 -2.357 1.864 1.963 143 HG LEU 23 HG LEU 23 -1.554 4.184 2.291 144 HD11 LEU 23 1HD1 LEU 23 -3.350 5.009 3.719 145 HD12 LEU 23 2HD1 LEU 23 -1.776 5.257 4.472 146 HD13 LEU 23 3HD1 LEU 23 -2.819 3.946 5.023 147 HD21 LEU 23 1HD2 LEU 23 -0.870 2.320 4.571 148 HD22 LEU 23 2HD2 LEU 23 0.107 3.672 3.996 149 HD23 LEU 23 3HD2 LEU 23 -0.162 2.275 2.956 150 H CYS 24 H CYS 24 -3.289 2.175 -0.247 151 HA CYS 24 HA CYS 24 -2.152 4.506 -1.366 152 HB2 CYS 24 2HB CYS 24 -3.132 2.011 -2.785 153 HB3 CYS 24 1HB CYS 24 -1.946 3.168 -3.391 154 H ARG 25 H ARG 25 -5.371 3.038 -1.750 155 HA ARG 25 HA ARG 25 -6.311 4.861 -3.704 156 HB2 ARG 25 1HB ARG 25 -7.826 3.255 -1.631 157 HB3 ARG 25 2HB ARG 25 -8.593 4.164 -2.927 158 HG2 ARG 25 1HG ARG 25 -7.462 2.768 -4.585 159 HG3 ARG 25 2HG ARG 25 -6.675 1.860 -3.291 160 HD2 ARG 25 1HD ARG 25 -8.563 0.595 -4.049 161 HD3 ARG 25 2HD ARG 25 -8.938 1.233 -2.448 162 HE ARG 25 HE ARG 25 -9.857 2.927 -4.575 163 HH11 ARG 25 1HH1 ARG 25 -10.654 0.158 -2.578 164 HH12 ARG 25 2HH1 ARG 25 -12.351 0.240 -2.922 165 HH21 ARG 25 1HH2 ARG 25 -12.074 3.042 -5.029 166 HH22 ARG 25 2HH2 ARG 25 -13.170 1.892 -4.319 167 H LYS 26 H LYS 26 -6.320 4.865 -0.181 168 HA LYS 26 HA LYS 26 -7.741 7.237 0.276 169 HB2 LYS 26 1HB LYS 26 -7.164 5.694 2.076 170 HB3 LYS 26 2HB LYS 26 -5.449 5.991 1.819 171 HG2 LYS 26 1HG LYS 26 -5.807 8.356 2.488 172 HG3 LYS 26 2HG LYS 26 -7.489 7.958 2.853 173 HD2 LYS 26 1HD LYS 26 -6.708 6.284 4.495 174 HD3 LYS 26 2HD LYS 26 -5.039 6.745 4.151 175 HE2 LYS 26 1HE LYS 26 -5.783 7.850 6.168 176 HE3 LYS 26 2HE LYS 26 -5.561 9.047 4.892 177 HZ1 LYS 26 1HZ LYS 26 -7.595 9.463 6.076 178 HZ2 LYS 26 2HZ LYS 26 -8.152 7.898 5.785 179 HZ3 LYS 26 3HZ LYS 26 -7.966 8.985 4.501 180 H LEU 27 H LEU 27 -4.282 6.651 -0.205 181 HA LEU 27 HA LEU 27 -3.497 9.380 -0.124 182 HB2 LEU 27 1HB LEU 27 -2.113 7.017 -1.416 183 HB3 LEU 27 2HB LEU 27 -1.374 8.575 -1.090 184 HG LEU 27 HG LEU 27 -2.359 6.605 0.985 185 HD11 LEU 27 1HD1 LEU 27 -0.318 5.874 -0.122 186 HD12 LEU 27 2HD1 LEU 27 0.004 6.343 1.547 187 HD13 LEU 27 3HD1 LEU 27 0.446 7.427 0.228 188 HD21 LEU 27 1HD2 LEU 27 -2.677 8.867 1.788 189 HD22 LEU 27 2HD2 LEU 27 -1.027 9.295 1.337 190 HD23 LEU 27 3HD2 LEU 27 -1.314 8.125 2.625 191 H GLY 28 H GLY 28 -4.911 7.361 -2.538 192 HA2 GLY 28 1HA GLY 28 -5.840 7.960 -4.570 193 HA3 GLY 28 2HA GLY 28 -5.275 9.608 -4.312 194 H VAL 29 H VAL 29 -3.538 6.535 -4.431 195 HA VAL 29 HA VAL 29 -1.927 7.576 -6.665 196 HB VAL 29 HB VAL 29 -0.722 7.886 -4.521 197 HG11 VAL 29 1HG1 VAL 29 0.038 5.999 -3.214 198 HG12 VAL 29 2HG1 VAL 29 -0.827 4.888 -4.275 199 HG13 VAL 29 3HG1 VAL 29 -1.723 6.039 -3.283 200 HG21 VAL 29 1HG2 VAL 29 0.551 7.511 -6.579 201 HG22 VAL 29 2HG2 VAL 29 0.505 5.770 -6.297 202 HG23 VAL 29 3HG2 VAL 29 1.383 6.820 -5.184 203 H THR 30 H THR 30 -1.669 6.158 -8.290 204 HA THR 30 HA THR 30 -2.642 3.435 -7.990 205 HB THR 30 HB THR 30 -2.181 3.239 -10.423 206 HG1 THR 30 1HG THR 30 -0.854 4.624 -11.292 207 HG21 THR 30 1HG2 THR 30 -4.362 4.057 -9.681 208 HG22 THR 30 2HG2 THR 30 -3.876 4.855 -11.177 209 HG23 THR 30 3HG2 THR 30 -3.743 5.707 -9.638 210 H ASN 31 H ASN 31 0.372 5.165 -8.270 211 HA ASN 31 HA ASN 31 2.047 2.913 -8.724 212 HB2 ASN 31 1HB ASN 31 2.701 5.622 -7.529 213 HB3 ASN 31 2HB ASN 31 3.894 4.418 -8.005 214 HD21 ASN 31 1HD2 ASN 31 2.625 4.868 -11.530 215 HD22 ASN 31 2HD2 ASN 31 2.449 3.584 -10.390 216 H CYS 32 H CYS 32 1.135 1.449 -7.287 217 HA CYS 32 HA CYS 32 2.196 1.492 -4.567 218 HB2 CYS 32 2HB CYS 32 0.077 2.546 -4.173 219 HB3 CYS 32 1HB CYS 32 -0.761 1.460 -5.273 220 H ARG 33 H ARG 33 2.293 -0.588 -3.715 221 HA ARG 33 HA ARG 33 1.526 -2.851 -5.414 222 HB2 ARG 33 1HB ARG 33 4.310 -2.351 -4.312 223 HB3 ARG 33 2HB ARG 33 3.791 -3.842 -5.073 224 HG2 ARG 33 1HG ARG 33 3.768 -2.921 -7.188 225 HG3 ARG 33 2HG ARG 33 3.542 -1.279 -6.586 226 HD2 ARG 33 1HD ARG 33 5.788 -1.583 -7.500 227 HD3 ARG 33 2HD ARG 33 5.840 -1.242 -5.771 228 HE ARG 33 HE ARG 33 6.122 -3.971 -6.868 229 HH11 ARG 33 1HH1 ARG 33 7.152 -1.413 -4.717 230 HH12 ARG 33 2HH1 ARG 33 8.426 -2.343 -4.001 231 HH21 ARG 33 1HH2 ARG 33 7.817 -5.203 -5.924 232 HH22 ARG 33 2HH2 ARG 33 8.801 -4.496 -4.684 233 H VAL 34 H VAL 34 1.747 -4.918 -4.146 234 HA VAL 34 HA VAL 34 1.047 -4.374 -1.325 235 HB VAL 34 HB VAL 34 0.114 -6.652 -3.098 236 HG11 VAL 34 1HG1 VAL 34 0.311 -7.353 -0.775 237 HG12 VAL 34 2HG1 VAL 34 -1.388 -7.214 -1.227 238 HG13 VAL 34 3HG1 VAL 34 -0.631 -5.955 -0.252 239 HG21 VAL 34 1HG2 VAL 34 -2.119 -5.581 -2.908 240 HG22 VAL 34 2HG2 VAL 34 -0.946 -4.575 -3.758 241 HG23 VAL 34 3HG2 VAL 34 -1.363 -4.216 -2.084 242 H HIS 35 H HIS 35 2.468 -5.114 0.092 243 HA HIS 35 HA HIS 35 4.438 -7.110 -0.840 244 HB2 HIS 35 1HB HIS 35 5.181 -4.700 -0.454 245 HB3 HIS 35 2HB HIS 35 4.858 -4.964 1.253 246 HD1 HIS 35 HD1 HIS 35 7.626 -4.609 -0.647 247 HD2 HIS 35 HD2 HIS 35 6.394 -7.737 1.798 248 HE1 HIS 35 HE1 HIS 35 9.719 -5.877 -0.058 249 HE2 HIS 35 HE2 HIS 35 8.966 -7.624 1.597 250 H CYS 36 H CYS 36 3.472 -8.957 0.010 251 HA CYS 36 HA CYS 36 3.643 -9.110 2.951 252 HB2 CYS 36 2HB CYS 36 1.747 -10.618 1.127 253 HB3 CYS 36 1HB CYS 36 1.987 -10.992 2.830 254 H GLY 37 H GLY 37 5.616 -9.899 3.199 255 HA2 GLY 37 1HA GLY 37 6.792 -12.130 3.176 256 HA3 GLY 37 2HA GLY 37 6.526 -12.088 1.437 Start of MODEL 12 1 H1 ALA 1 1H ALA 1 0.071 -13.513 9.245 2 H2 ALA 1 2H ALA 1 0.389 -12.736 10.714 3 H3 ALA 1 3H ALA 1 1.337 -14.047 10.230 4 HA ALA 1 HA ALA 1 2.502 -11.972 9.915 5 HB1 ALA 1 1HB ALA 1 3.153 -12.315 7.587 6 HB2 ALA 1 2HB ALA 1 1.715 -13.300 7.315 7 HB3 ALA 1 3HB ALA 1 2.972 -13.860 8.419 8 HA PRO 2 HA PRO 2 -0.039 -8.575 8.374 9 HB2 PRO 2 2HB PRO 2 1.774 -6.615 8.609 10 HB3 PRO 2 1HB PRO 2 1.053 -7.355 10.043 11 HG2 PRO 2 2HG PRO 2 3.733 -7.859 8.802 12 HG3 PRO 2 1HG PRO 2 3.307 -7.693 10.516 13 HD2 PRO 2 2HD PRO 2 3.655 -10.110 9.223 14 HD3 PRO 2 1HD PRO 2 2.680 -9.891 10.690 15 H CYS 3 H CYS 3 0.968 -6.532 6.822 16 HA CYS 3 HA CYS 3 2.179 -7.920 4.521 17 HB2 CYS 3 2HB CYS 3 -0.027 -5.870 4.269 18 HB3 CYS 3 1HB CYS 3 0.633 -6.903 3.007 19 H GLU 4 H GLU 4 3.496 -6.688 3.203 20 HA GLU 4 HA GLU 4 4.276 -4.040 4.238 21 HB2 GLU 4 1HB GLU 4 5.932 -5.991 2.600 22 HB3 GLU 4 2HB GLU 4 6.476 -4.442 3.217 23 HG2 GLU 4 1HG GLU 4 7.405 -6.053 4.649 24 HG3 GLU 4 2HG GLU 4 6.052 -5.364 5.542 25 H CYS 5 H CYS 5 4.241 -2.338 2.831 26 HA CYS 5 HA CYS 5 3.526 -2.877 0.032 27 HB2 CYS 5 2HB CYS 5 2.110 -1.002 1.935 28 HB3 CYS 5 1HB CYS 5 1.847 -1.029 0.194 29 H ASP 6 H ASP 6 4.216 -1.389 -1.445 30 HA ASP 6 HA ASP 6 5.840 0.857 -0.454 31 HB2 ASP 6 1HB ASP 6 7.138 -0.809 -1.756 32 HB3 ASP 6 2HB ASP 6 6.042 -0.586 -3.117 33 H VAL 7 H VAL 7 5.654 2.813 -1.603 34 HA VAL 7 HA VAL 7 3.318 3.231 -3.295 35 HB VAL 7 HB VAL 7 3.795 4.826 -0.749 36 HG11 VAL 7 1HG1 VAL 7 2.837 6.153 -2.557 37 HG12 VAL 7 2HG1 VAL 7 1.664 5.907 -1.264 38 HG13 VAL 7 3HG1 VAL 7 1.543 4.971 -2.755 39 HG21 VAL 7 1HG2 VAL 7 1.622 2.803 -1.332 40 HG22 VAL 7 2HG2 VAL 7 1.703 3.837 0.096 41 HG23 VAL 7 3HG2 VAL 7 2.941 2.611 -0.178 42 H ASN 8 H ASN 8 4.535 3.912 -5.001 43 HA ASN 8 HA ASN 8 5.835 5.225 -6.319 44 HB2 ASN 8 1HB ASN 8 5.075 7.210 -4.175 45 HB3 ASN 8 2HB ASN 8 6.057 7.672 -5.560 46 HD21 ASN 8 1HD2 ASN 8 3.155 6.679 -7.736 47 HD22 ASN 8 2HD2 ASN 8 4.722 5.996 -7.475 48 H GLY 9 H GLY 9 7.090 3.735 -3.949 49 HA2 GLY 9 1HA GLY 9 9.470 3.375 -3.902 50 HA3 GLY 9 2HA GLY 9 9.702 5.096 -4.172 51 H GLU 10 H GLU 10 7.250 4.680 -1.943 52 HA GLU 10 HA GLU 10 9.129 4.836 0.330 53 HB2 GLU 10 1HB GLU 10 6.298 5.909 0.164 54 HB3 GLU 10 2HB GLU 10 7.395 6.085 1.529 55 HG2 GLU 10 1HG GLU 10 8.948 7.332 -0.006 56 HG3 GLU 10 2HG GLU 10 7.660 7.308 -1.211 57 H THR 11 H THR 11 8.724 3.530 2.151 58 HA THR 11 HA THR 11 6.992 1.234 1.485 59 HB THR 11 HB THR 11 9.567 1.209 3.078 60 HG1 THR 11 1HG THR 11 9.043 1.099 0.373 61 HG21 THR 11 1HG2 THR 11 7.883 -1.065 1.996 62 HG22 THR 11 2HG2 THR 11 8.005 -0.596 3.692 63 HG23 THR 11 3HG2 THR 11 9.419 -1.228 2.849 64 H TYR 12 H TYR 12 5.405 0.800 2.804 65 HA TYR 12 HA TYR 12 5.572 1.491 5.662 66 HB2 TYR 12 2HB TYR 12 3.204 2.016 3.830 67 HB3 TYR 12 1HB TYR 12 3.178 2.201 5.578 68 HD1 TYR 12 1HD TYR 12 4.672 3.952 6.635 69 HD2 TYR 12 2HD TYR 12 3.990 3.773 2.434 70 HE1 TYR 12 1HE TYR 12 5.442 6.278 6.416 71 HE2 TYR 12 2HE TYR 12 4.756 6.099 2.206 72 HH TYR 12 HH TYR 12 4.969 8.114 3.588 73 H THR 13 H THR 13 3.972 0.230 6.957 74 HA THR 13 HA THR 13 3.429 -2.386 5.696 75 HB THR 13 HB THR 13 3.478 -3.305 8.051 76 HG1 THR 13 1HG THR 13 3.487 -0.827 8.758 77 HG21 THR 13 1HG2 THR 13 6.045 -2.034 7.077 78 HG22 THR 13 2HG2 THR 13 5.387 -3.575 6.526 79 HG23 THR 13 3HG2 THR 13 5.916 -3.390 8.197 80 H VAL 14 H VAL 14 1.432 -3.296 5.926 81 HA VAL 14 HA VAL 14 -0.638 -1.695 7.288 82 HB VAL 14 HB VAL 14 -2.221 -2.293 5.476 83 HG11 VAL 14 1HG1 VAL 14 0.243 -0.843 4.490 84 HG12 VAL 14 2HG1 VAL 14 -1.084 -0.128 5.405 85 HG13 VAL 14 3HG1 VAL 14 -1.369 -0.746 3.777 86 HG21 VAL 14 1HG2 VAL 14 -1.388 -3.210 3.364 87 HG22 VAL 14 2HG2 VAL 14 -1.114 -4.333 4.694 88 HG23 VAL 14 3HG2 VAL 14 0.225 -3.373 4.060 89 H SER 15 H SER 15 -2.592 -2.964 7.836 90 HA SER 15 HA SER 15 -1.809 -5.327 9.204 91 HB2 SER 15 1HB SER 15 -3.545 -3.698 10.004 92 HB3 SER 15 2HB SER 15 -4.632 -4.320 8.765 93 HG SER 15 HG SER 15 -4.263 -6.439 9.773 94 H SER 16 H SER 16 -3.221 -4.779 6.068 95 HA SER 16 HA SER 16 -2.930 -7.525 5.363 96 HB2 SER 16 1HB SER 16 -5.072 -7.608 6.660 97 HB3 SER 16 2HB SER 16 -5.777 -6.492 5.493 98 HG SER 16 HG SER 16 -4.822 -9.127 5.014 99 H SER 17 H SER 17 -3.893 -7.922 3.108 100 HA SER 17 HA SER 17 -2.747 -6.026 1.359 101 HB2 SER 17 1HB SER 17 -2.947 -8.480 0.882 102 HB3 SER 17 2HB SER 17 -4.679 -8.253 0.641 103 HG SER 17 HG SER 17 -4.013 -6.645 -1.005 104 H GLU 18 H GLU 18 -6.084 -6.704 2.296 105 HA GLU 18 HA GLU 18 -7.394 -4.944 0.562 106 HB2 GLU 18 1HB GLU 18 -8.566 -6.580 2.007 107 HB3 GLU 18 2HB GLU 18 -8.129 -5.637 3.425 108 HG2 GLU 18 1HG GLU 18 -10.440 -5.239 2.770 109 HG3 GLU 18 2HG GLU 18 -9.477 -3.769 2.632 110 H GLU 19 H GLU 19 -6.156 -4.409 3.850 111 HA GLU 19 HA GLU 19 -6.691 -1.689 4.078 112 HB2 GLU 19 1HB GLU 19 -4.528 -3.415 5.285 113 HB3 GLU 19 2HB GLU 19 -4.687 -1.709 5.684 114 HG2 GLU 19 1HG GLU 19 -6.796 -3.823 6.101 115 HG3 GLU 19 2HG GLU 19 -5.759 -3.128 7.348 116 H CYS 20 H CYS 20 -3.991 -3.358 2.553 117 HA CYS 20 HA CYS 20 -2.350 -1.151 2.031 118 HB2 CYS 20 2HB CYS 20 -1.826 -3.620 1.641 119 HB3 CYS 20 1HB CYS 20 -2.719 -3.473 0.130 120 H GLU 21 H GLU 21 -4.914 -2.611 0.039 121 HA GLU 21 HA GLU 21 -4.952 -0.755 -2.039 122 HB2 GLU 21 1HB GLU 21 -7.137 -2.445 -0.815 123 HB3 GLU 21 2HB GLU 21 -7.438 -1.394 -2.192 124 HG2 GLU 21 1HG GLU 21 -5.416 -3.629 -2.135 125 HG3 GLU 21 2HG GLU 21 -7.034 -3.735 -2.830 126 H ARG 22 H ARG 22 -6.784 -0.757 1.021 127 HA ARG 22 HA ARG 22 -8.336 1.458 0.674 128 HB2 ARG 22 1HB ARG 22 -6.964 0.490 3.193 129 HB3 ARG 22 2HB ARG 22 -8.345 1.548 3.119 130 HG2 ARG 22 1HG ARG 22 -8.331 -1.268 2.091 131 HG3 ARG 22 2HG ARG 22 -8.931 -0.784 3.676 132 HD2 ARG 22 1HD ARG 22 -10.633 0.611 2.627 133 HD3 ARG 22 2HD ARG 22 -10.002 0.203 1.029 134 HE ARG 22 HE ARG 22 -11.044 -1.844 1.149 135 HH11 ARG 22 1HH1 ARG 22 -11.069 -0.379 4.335 136 HH12 ARG 22 2HH1 ARG 22 -12.227 -1.499 4.978 137 HH21 ARG 22 1HH2 ARG 22 -12.586 -3.301 1.984 138 HH22 ARG 22 2HH2 ARG 22 -13.087 -3.169 3.642 139 H LEU 23 H LEU 23 -5.131 1.334 2.237 140 HA LEU 23 HA LEU 23 -4.858 4.075 2.686 141 HB2 LEU 23 1HB LEU 23 -3.467 2.347 3.749 142 HB3 LEU 23 2HB LEU 23 -2.699 2.014 2.207 143 HG LEU 23 HG LEU 23 -1.753 4.302 2.193 144 HD11 LEU 23 1HD1 LEU 23 -3.435 5.451 3.513 145 HD12 LEU 23 2HD1 LEU 23 -1.842 5.661 4.239 146 HD13 LEU 23 3HD1 LEU 23 -2.986 4.518 4.942 147 HD21 LEU 23 1HD2 LEU 23 -1.122 2.707 4.684 148 HD22 LEU 23 2HD2 LEU 23 -0.094 3.950 3.967 149 HD23 LEU 23 3HD2 LEU 23 -0.424 2.462 3.082 150 H CYS 24 H CYS 24 -3.638 2.100 -0.016 151 HA CYS 24 HA CYS 24 -2.267 4.140 -1.359 152 HB2 CYS 24 2HB CYS 24 -2.003 1.730 -1.843 153 HB3 CYS 24 1HB CYS 24 -3.613 1.696 -2.546 154 H ARG 25 H ARG 25 -5.602 2.962 -1.839 155 HA ARG 25 HA ARG 25 -6.171 4.793 -3.964 156 HB2 ARG 25 1HB ARG 25 -8.228 3.392 -2.241 157 HB3 ARG 25 2HB ARG 25 -8.429 3.985 -3.883 158 HG2 ARG 25 1HG ARG 25 -6.749 1.649 -2.999 159 HG3 ARG 25 2HG ARG 25 -8.268 1.582 -3.883 160 HD2 ARG 25 1HD ARG 25 -7.236 2.606 -5.813 161 HD3 ARG 25 2HD ARG 25 -5.731 2.851 -4.922 162 HE ARG 25 HE ARG 25 -6.293 0.136 -4.810 163 HH11 ARG 25 1HH1 ARG 25 -5.596 2.485 -7.322 164 HH12 ARG 25 2HH1 ARG 25 -4.862 1.313 -8.375 165 HH21 ARG 25 1HH2 ARG 25 -5.310 -1.378 -6.157 166 HH22 ARG 25 2HH2 ARG 25 -4.687 -0.889 -7.707 167 H LYS 26 H LYS 26 -6.426 4.890 -0.493 168 HA LYS 26 HA LYS 26 -8.239 7.072 -0.278 169 HB2 LYS 26 1HB LYS 26 -7.293 5.309 1.506 170 HB3 LYS 26 2HB LYS 26 -6.155 6.604 1.825 171 HG2 LYS 26 1HG LYS 26 -9.147 6.961 1.914 172 HG3 LYS 26 2HG LYS 26 -8.178 6.510 3.313 173 HD2 LYS 26 1HD LYS 26 -6.885 8.611 3.052 174 HD3 LYS 26 2HD LYS 26 -7.937 9.060 1.705 175 HE2 LYS 26 1HE LYS 26 -9.870 9.060 3.179 176 HE3 LYS 26 2HE LYS 26 -8.873 8.519 4.529 177 HZ1 LYS 26 1HZ LYS 26 -8.615 11.110 3.100 178 HZ2 LYS 26 2HZ LYS 26 -7.636 10.596 4.378 179 HZ3 LYS 26 3HZ LYS 26 -9.279 10.884 4.639 180 H LEU 27 H LEU 27 -4.698 6.815 -0.205 181 HA LEU 27 HA LEU 27 -4.223 9.619 -0.069 182 HB2 LEU 27 1HB LEU 27 -2.432 7.391 -1.072 183 HB3 LEU 27 2HB LEU 27 -1.909 9.031 -0.731 184 HG LEU 27 HG LEU 27 -2.975 7.068 1.315 185 HD11 LEU 27 1HD1 LEU 27 -0.750 6.465 0.500 186 HD12 LEU 27 2HD1 LEU 27 -0.692 7.025 2.171 187 HD13 LEU 27 3HD1 LEU 27 -0.169 8.091 0.865 188 HD21 LEU 27 1HD2 LEU 27 -3.543 9.375 1.879 189 HD22 LEU 27 2HD2 LEU 27 -1.858 9.852 1.671 190 HD23 LEU 27 3HD2 LEU 27 -2.308 8.744 2.968 191 H GLY 28 H GLY 28 -4.757 7.324 -2.648 192 HA2 GLY 28 1HA GLY 28 -5.703 7.938 -4.731 193 HA3 GLY 28 2HA GLY 28 -5.069 9.565 -4.521 194 H VAL 29 H VAL 29 -3.195 6.665 -4.017 195 HA VAL 29 HA VAL 29 -1.395 7.488 -6.183 196 HB VAL 29 HB VAL 29 -0.948 5.507 -3.930 197 HG11 VAL 29 1HG1 VAL 29 0.992 6.646 -5.946 198 HG12 VAL 29 2HG1 VAL 29 0.417 4.981 -5.879 199 HG13 VAL 29 3HG1 VAL 29 1.421 5.620 -4.579 200 HG21 VAL 29 1HG2 VAL 29 0.032 8.352 -4.241 201 HG22 VAL 29 2HG2 VAL 29 0.492 7.242 -2.950 202 HG23 VAL 29 3HG2 VAL 29 -1.179 7.788 -3.090 203 H THR 30 H THR 30 -0.851 6.108 -7.852 204 HA THR 30 HA THR 30 -2.581 3.762 -8.199 205 HB THR 30 HB THR 30 -0.879 5.209 -10.255 206 HG1 THR 30 1HG THR 30 -3.113 6.011 -9.123 207 HG21 THR 30 1HG2 THR 30 -2.223 3.995 -11.905 208 HG22 THR 30 2HG2 THR 30 -3.084 3.163 -10.609 209 HG23 THR 30 3HG2 THR 30 -1.362 2.870 -10.854 210 H ASN 31 H ASN 31 0.778 4.763 -7.979 211 HA ASN 31 HA ASN 31 1.727 2.081 -8.649 212 HB2 ASN 31 1HB ASN 31 2.870 4.076 -9.615 213 HB3 ASN 31 2HB ASN 31 3.345 4.556 -7.991 214 HD21 ASN 31 1HD2 ASN 31 5.340 1.637 -9.968 215 HD22 ASN 31 2HD2 ASN 31 3.878 2.318 -10.586 216 H CYS 32 H CYS 32 0.837 1.074 -6.803 217 HA CYS 32 HA CYS 32 2.584 1.311 -4.422 218 HB2 CYS 32 2HB CYS 32 -0.356 0.508 -4.471 219 HB3 CYS 32 1HB CYS 32 0.673 0.564 -3.046 220 H ARG 33 H ARG 33 3.503 -0.612 -3.776 221 HA ARG 33 HA ARG 33 2.778 -3.011 -5.340 222 HB2 ARG 33 1HB ARG 33 5.095 -1.978 -5.693 223 HB3 ARG 33 2HB ARG 33 5.470 -2.510 -4.058 224 HG2 ARG 33 1HG ARG 33 6.295 -4.101 -5.705 225 HG3 ARG 33 2HG ARG 33 5.033 -4.831 -4.707 226 HD2 ARG 33 1HD ARG 33 4.787 -5.391 -7.101 227 HD3 ARG 33 2HD ARG 33 3.398 -4.505 -6.473 228 HE ARG 33 HE ARG 33 5.542 -3.140 -7.973 229 HH11 ARG 33 1HH1 ARG 33 2.150 -3.891 -7.509 230 HH12 ARG 33 2HH1 ARG 33 1.614 -2.817 -8.762 231 HH21 ARG 33 1HH2 ARG 33 4.831 -1.704 -9.604 232 HH22 ARG 33 2HH2 ARG 33 3.133 -1.564 -9.947 233 H VAL 34 H VAL 34 2.240 -4.839 -4.240 234 HA VAL 34 HA VAL 34 2.242 -4.639 -1.291 235 HB VAL 34 HB VAL 34 0.306 -6.194 -3.025 236 HG11 VAL 34 1HG1 VAL 34 0.253 -5.557 -0.072 237 HG12 VAL 34 2HG1 VAL 34 0.572 -7.136 -0.792 238 HG13 VAL 34 3HG1 VAL 34 -1.018 -6.393 -0.968 239 HG21 VAL 34 1HG2 VAL 34 -0.068 -3.522 -1.665 240 HG22 VAL 34 2HG2 VAL 34 -1.338 -4.450 -2.458 241 HG23 VAL 34 3HG2 VAL 34 0.004 -3.810 -3.404 242 H HIS 35 H HIS 35 3.231 -6.154 -0.156 243 HA HIS 35 HA HIS 35 3.518 -8.868 -1.252 244 HB2 HIS 35 1HB HIS 35 5.732 -7.911 -1.489 245 HB3 HIS 35 2HB HIS 35 5.679 -7.265 0.150 246 HD1 HIS 35 HD1 HIS 35 6.021 -8.947 2.112 247 HD2 HIS 35 HD2 HIS 35 6.409 -10.622 -1.681 248 HE1 HIS 35 HE1 HIS 35 7.028 -11.221 2.471 249 HE2 HIS 35 HE2 HIS 35 7.125 -12.265 0.183 250 H CYS 36 H CYS 36 2.485 -10.223 0.094 251 HA CYS 36 HA CYS 36 2.657 -9.783 2.979 252 HB2 CYS 36 2HB CYS 36 0.578 -8.640 2.071 253 HB3 CYS 36 1HB CYS 36 -0.017 -10.238 1.640 254 H GLY 37 H GLY 37 3.367 -11.640 3.786 255 HA2 GLY 37 1HA GLY 37 2.236 -14.040 3.947 256 HA3 GLY 37 2HA GLY 37 2.959 -14.135 2.346 Start of MODEL 13 1 H1 ALA 1 1H ALA 1 -1.382 -12.874 11.242 2 H2 ALA 1 2H ALA 1 -1.673 -12.240 9.704 3 H3 ALA 1 3H ALA 1 -2.081 -11.345 11.075 4 HA ALA 1 HA ALA 1 0.226 -11.154 11.696 5 HB1 ALA 1 1HB ALA 1 1.970 -11.895 10.127 6 HB2 ALA 1 2HB ALA 1 0.730 -12.616 9.097 7 HB3 ALA 1 3HB ALA 1 1.008 -13.250 10.719 8 HA PRO 2 HA PRO 2 -0.137 -7.427 9.307 9 HB2 PRO 2 2HB PRO 2 2.186 -6.197 9.900 10 HB3 PRO 2 1HB PRO 2 0.919 -6.420 11.113 11 HG2 PRO 2 2HG PRO 2 3.419 -8.018 10.675 12 HG3 PRO 2 1HG PRO 2 2.712 -7.444 12.198 13 HD2 PRO 2 2HD PRO 2 2.401 -9.993 11.262 14 HD3 PRO 2 1HD PRO 2 1.208 -9.181 12.296 15 H CYS 3 H CYS 3 0.626 -6.420 7.411 16 HA CYS 3 HA CYS 3 2.787 -7.809 5.959 17 HB2 CYS 3 2HB CYS 3 0.184 -6.827 4.742 18 HB3 CYS 3 1HB CYS 3 1.486 -7.657 3.898 19 H GLU 4 H GLU 4 3.222 -6.315 3.853 20 HA GLU 4 HA GLU 4 3.519 -3.567 4.878 21 HB2 GLU 4 1HB GLU 4 5.257 -5.008 2.862 22 HB3 GLU 4 2HB GLU 4 5.497 -3.368 3.442 23 HG2 GLU 4 1HG GLU 4 6.921 -4.304 4.894 24 HG3 GLU 4 2HG GLU 4 5.471 -4.764 5.787 25 H CYS 5 H CYS 5 3.878 -1.988 3.022 26 HA CYS 5 HA CYS 5 2.236 -2.544 0.676 27 HB2 CYS 5 2HB CYS 5 0.704 -1.599 2.405 28 HB3 CYS 5 1HB CYS 5 1.731 -0.173 2.500 29 H ASP 6 H ASP 6 2.876 -1.377 -1.091 30 HA ASP 6 HA ASP 6 5.225 0.366 -0.732 31 HB2 ASP 6 1HB ASP 6 5.610 -1.835 -1.927 32 HB3 ASP 6 2HB ASP 6 4.527 -1.267 -3.185 33 H VAL 7 H VAL 7 5.137 2.350 -1.622 34 HA VAL 7 HA VAL 7 2.870 3.128 -3.299 35 HB VAL 7 HB VAL 7 3.684 4.641 -0.795 36 HG11 VAL 7 1HG1 VAL 7 2.900 6.118 -2.554 37 HG12 VAL 7 2HG1 VAL 7 1.706 6.029 -1.259 38 HG13 VAL 7 3HG1 VAL 7 1.446 5.140 -2.760 39 HG21 VAL 7 1HG2 VAL 7 1.462 4.015 0.099 40 HG22 VAL 7 2HG2 VAL 7 2.515 2.620 -0.143 41 HG23 VAL 7 3HG2 VAL 7 1.219 2.959 -1.295 42 H ASN 8 H ASN 8 4.012 3.691 -5.055 43 HA ASN 8 HA ASN 8 5.436 4.758 -6.459 44 HB2 ASN 8 1HB ASN 8 5.736 6.745 -4.187 45 HB3 ASN 8 2HB ASN 8 6.240 7.011 -5.851 46 HD21 ASN 8 1HD2 ASN 8 3.020 7.727 -7.041 47 HD22 ASN 8 2HD2 ASN 8 4.632 7.261 -7.462 48 H GLY 9 H GLY 9 6.434 2.878 -4.222 49 HA2 GLY 9 1HA GLY 9 8.625 1.880 -4.403 50 HA3 GLY 9 2HA GLY 9 9.298 3.487 -4.619 51 H GLU 10 H GLU 10 7.101 3.952 -2.283 52 HA GLU 10 HA GLU 10 9.091 3.674 -0.157 53 HB2 GLU 10 1HB GLU 10 7.904 5.837 -0.447 54 HB3 GLU 10 2HB GLU 10 6.375 5.028 -0.132 55 HG2 GLU 10 1HG GLU 10 7.195 6.241 1.827 56 HG3 GLU 10 2HG GLU 10 7.077 4.508 2.130 57 H THR 11 H THR 11 8.628 2.556 1.825 58 HA THR 11 HA THR 11 6.545 0.486 1.515 59 HB THR 11 HB THR 11 9.186 0.277 2.982 60 HG1 THR 11 1HG THR 11 9.376 0.181 0.692 61 HG21 THR 11 1HG2 THR 11 6.998 -1.771 2.544 62 HG22 THR 11 2HG2 THR 11 7.480 -1.071 4.090 63 HG23 THR 11 3HG2 THR 11 8.591 -2.123 3.212 64 H TYR 12 H TYR 12 4.897 0.798 2.802 65 HA TYR 12 HA TYR 12 5.348 1.652 5.593 66 HB2 TYR 12 2HB TYR 12 2.839 1.847 3.891 67 HB3 TYR 12 1HB TYR 12 2.938 2.294 5.588 68 HD1 TYR 12 1HD TYR 12 4.542 4.187 6.238 69 HD2 TYR 12 2HD TYR 12 3.377 3.418 2.212 70 HE1 TYR 12 1HE TYR 12 5.219 6.465 5.614 71 HE2 TYR 12 2HE TYR 12 4.051 5.698 1.577 72 HH TYR 12 HH TYR 12 5.937 7.683 3.560 73 H THR 13 H THR 13 3.467 0.661 7.023 74 HA THR 13 HA THR 13 3.279 -2.206 6.335 75 HB THR 13 HB THR 13 2.989 -2.487 8.888 76 HG1 THR 13 1HG THR 13 2.772 -0.174 9.254 77 HG21 THR 13 1HG2 THR 13 5.674 -1.605 7.787 78 HG22 THR 13 2HG2 THR 13 4.990 -3.230 7.677 79 HG23 THR 13 3HG2 THR 13 5.418 -2.560 9.251 80 H VAL 14 H VAL 14 1.336 -3.217 6.444 81 HA VAL 14 HA VAL 14 -1.019 -1.678 7.293 82 HB VAL 14 HB VAL 14 -2.232 -2.400 5.236 83 HG11 VAL 14 1HG1 VAL 14 -1.351 -0.134 5.388 84 HG12 VAL 14 2HG1 VAL 14 -1.255 -0.728 3.731 85 HG13 VAL 14 3HG1 VAL 14 0.197 -0.675 4.733 86 HG21 VAL 14 1HG2 VAL 14 -0.817 -4.292 4.603 87 HG22 VAL 14 2HG2 VAL 14 0.517 -3.191 4.251 88 HG23 VAL 14 3HG2 VAL 14 -0.952 -3.138 3.276 89 H SER 15 H SER 15 -3.008 -3.087 7.263 90 HA SER 15 HA SER 15 -2.637 -5.364 8.852 91 HB2 SER 15 1HB SER 15 -5.109 -4.770 7.210 92 HB3 SER 15 2HB SER 15 -5.013 -5.598 8.766 93 HG SER 15 HG SER 15 -5.542 -3.121 8.463 94 H SER 16 H SER 16 -3.157 -4.978 5.392 95 HA SER 16 HA SER 16 -2.057 -7.474 4.680 96 HB2 SER 16 1HB SER 16 -4.153 -8.396 5.576 97 HB3 SER 16 2HB SER 16 -5.093 -7.296 4.569 98 HG SER 16 HG SER 16 -5.054 -9.150 3.435 99 H SER 17 H SER 17 -2.764 -7.937 2.236 100 HA SER 17 HA SER 17 -1.909 -5.798 0.684 101 HB2 SER 17 1HB SER 17 -3.651 -8.105 -0.225 102 HB3 SER 17 2HB SER 17 -2.570 -7.141 -1.234 103 HG SER 17 HG SER 17 -1.379 -8.884 -0.747 104 H GLU 18 H GLU 18 -5.186 -6.871 1.448 105 HA GLU 18 HA GLU 18 -6.682 -5.119 -0.115 106 HB2 GLU 18 1HB GLU 18 -7.295 -6.079 2.703 107 HB3 GLU 18 2HB GLU 18 -8.461 -5.363 1.600 108 HG2 GLU 18 1HG GLU 18 -8.831 -7.690 1.544 109 HG3 GLU 18 2HG GLU 18 -8.010 -7.288 0.039 110 H GLU 19 H GLU 19 -5.370 -4.695 3.140 111 HA GLU 19 HA GLU 19 -6.355 -2.103 3.613 112 HB2 GLU 19 1HB GLU 19 -5.397 -3.717 5.324 113 HB3 GLU 19 2HB GLU 19 -3.799 -3.275 4.738 114 HG2 GLU 19 1HG GLU 19 -4.225 -2.005 6.698 115 HG3 GLU 19 2HG GLU 19 -4.320 -0.902 5.323 116 H CYS 20 H CYS 20 -3.412 -3.310 2.102 117 HA CYS 20 HA CYS 20 -2.022 -0.880 1.853 118 HB2 CYS 20 2HB CYS 20 -0.891 -2.978 1.441 119 HB3 CYS 20 1HB CYS 20 -1.979 -3.355 0.109 120 H GLU 21 H GLU 21 -4.355 -2.471 -0.303 121 HA GLU 21 HA GLU 21 -4.115 -0.564 -2.384 122 HB2 GLU 21 1HB GLU 21 -5.607 -1.862 -3.520 123 HB3 GLU 21 2HB GLU 21 -5.184 -3.013 -2.273 124 HG2 GLU 21 1HG GLU 21 -7.450 -3.226 -2.254 125 HG3 GLU 21 2HG GLU 21 -7.261 -1.963 -1.039 126 H ARG 22 H ARG 22 -6.393 -0.918 0.325 127 HA ARG 22 HA ARG 22 -7.992 1.276 -0.227 128 HB2 ARG 22 1HB ARG 22 -7.208 -0.020 2.387 129 HB3 ARG 22 2HB ARG 22 -8.465 1.168 2.212 130 HG2 ARG 22 1HG ARG 22 -9.530 -0.419 0.521 131 HG3 ARG 22 2HG ARG 22 -8.402 -1.620 1.153 132 HD2 ARG 22 1HD ARG 22 -10.496 -0.112 2.724 133 HD3 ARG 22 2HD ARG 22 -10.558 -1.810 2.260 134 HE ARG 22 HE ARG 22 -8.394 -0.840 4.013 135 HH11 ARG 22 1HH1 ARG 22 -11.208 -2.880 3.505 136 HH12 ARG 22 2HH1 ARG 22 -10.984 -3.765 4.981 137 HH21 ARG 22 1HH2 ARG 22 -8.159 -1.976 5.987 138 HH22 ARG 22 2HH2 ARG 22 -9.270 -3.254 6.384 139 H LEU 23 H LEU 23 -5.001 1.027 1.674 140 HA LEU 23 HA LEU 23 -4.900 3.694 2.563 141 HB2 LEU 23 1HB LEU 23 -3.523 1.892 3.520 142 HB3 LEU 23 2HB LEU 23 -2.628 1.773 2.017 143 HG LEU 23 HG LEU 23 -1.781 4.080 2.353 144 HD11 LEU 23 1HD1 LEU 23 -2.059 5.146 4.553 145 HD12 LEU 23 2HD1 LEU 23 -3.215 3.889 5.002 146 HD13 LEU 23 3HD1 LEU 23 -3.585 4.996 3.680 147 HD21 LEU 23 1HD2 LEU 23 -0.233 3.549 4.179 148 HD22 LEU 23 2HD2 LEU 23 -0.444 2.175 3.094 149 HD23 LEU 23 3HD2 LEU 23 -1.259 2.194 4.660 150 H CYS 24 H CYS 24 -3.550 2.106 -0.290 151 HA CYS 24 HA CYS 24 -2.168 4.242 -1.422 152 HB2 CYS 24 2HB CYS 24 -2.003 1.933 -2.242 153 HB3 CYS 24 1HB CYS 24 -3.670 1.992 -2.800 154 H ARG 25 H ARG 25 -5.549 3.238 -1.847 155 HA ARG 25 HA ARG 25 -6.261 5.347 -3.607 156 HB2 ARG 25 1HB ARG 25 -7.939 3.558 -1.840 157 HB3 ARG 25 2HB ARG 25 -8.617 4.692 -3.001 158 HG2 ARG 25 1HG ARG 25 -6.686 2.520 -3.781 159 HG3 ARG 25 2HG ARG 25 -8.431 2.279 -3.740 160 HD2 ARG 25 1HD ARG 25 -7.781 2.791 -5.995 161 HD3 ARG 25 2HD ARG 25 -8.681 4.161 -5.350 162 HE ARG 25 HE ARG 25 -5.752 4.267 -5.259 163 HH11 ARG 25 1HH1 ARG 25 -8.741 5.342 -6.726 164 HH12 ARG 25 2HH1 ARG 25 -8.016 6.697 -7.529 165 HH21 ARG 25 1HH2 ARG 25 -4.793 6.057 -6.315 166 HH22 ARG 25 2HH2 ARG 25 -5.769 7.110 -7.291 167 H LYS 26 H LYS 26 -6.150 5.093 -0.096 168 HA LYS 26 HA LYS 26 -7.637 7.409 0.483 169 HB2 LYS 26 1HB LYS 26 -5.682 5.665 1.928 170 HB3 LYS 26 2HB LYS 26 -6.111 7.204 2.621 171 HG2 LYS 26 1HG LYS 26 -8.026 4.991 1.929 172 HG3 LYS 26 2HG LYS 26 -7.483 5.431 3.550 173 HD2 LYS 26 1HD LYS 26 -8.535 7.628 3.330 174 HD3 LYS 26 2HD LYS 26 -9.035 7.238 1.682 175 HE2 LYS 26 1HE LYS 26 -10.414 5.390 2.569 176 HE3 LYS 26 2HE LYS 26 -9.942 5.844 4.209 177 HZ1 LYS 26 1HZ LYS 26 -12.113 6.738 3.571 178 HZ2 LYS 26 2HZ LYS 26 -11.399 7.599 2.303 179 HZ3 LYS 26 3HZ LYS 26 -11.007 7.973 3.905 180 H LEU 27 H LEU 27 -4.157 6.796 0.140 181 HA LEU 27 HA LEU 27 -3.328 9.477 0.476 182 HB2 LEU 27 1HB LEU 27 -1.993 7.252 -1.088 183 HB3 LEU 27 2HB LEU 27 -1.228 8.752 -0.597 184 HG LEU 27 HG LEU 27 -2.238 6.600 1.275 185 HD11 LEU 27 1HD1 LEU 27 -0.241 5.911 0.063 186 HD12 LEU 27 2HD1 LEU 27 0.125 6.209 1.761 187 HD13 LEU 27 3HD1 LEU 27 0.578 7.396 0.539 188 HD21 LEU 27 1HD2 LEU 27 -1.136 7.908 3.038 189 HD22 LEU 27 2HD2 LEU 27 -2.451 8.803 2.281 190 HD23 LEU 27 3HD2 LEU 27 -0.777 9.178 1.868 191 H GLY 28 H GLY 28 -4.569 7.644 -2.213 192 HA2 GLY 28 1HA GLY 28 -5.708 8.639 -4.040 193 HA3 GLY 28 2HA GLY 28 -4.805 10.124 -3.778 194 H VAL 29 H VAL 29 -3.085 7.180 -3.676 195 HA VAL 29 HA VAL 29 -1.629 7.928 -6.098 196 HB VAL 29 HB VAL 29 -0.943 5.870 -3.979 197 HG11 VAL 29 1HG1 VAL 29 0.155 5.414 -6.107 198 HG12 VAL 29 2HG1 VAL 29 1.327 5.977 -4.914 199 HG13 VAL 29 3HG1 VAL 29 0.755 7.076 -6.171 200 HG21 VAL 29 1HG2 VAL 29 0.612 7.522 -3.084 201 HG22 VAL 29 2HG2 VAL 29 -1.039 8.141 -3.050 202 HG23 VAL 29 3HG2 VAL 29 0.086 8.697 -4.291 203 H THR 30 H THR 30 -1.153 6.383 -7.723 204 HA THR 30 HA THR 30 -2.920 4.020 -7.797 205 HB THR 30 HB THR 30 -2.522 4.080 -10.284 206 HG1 THR 30 1HG THR 30 -1.475 5.798 -11.175 207 HG21 THR 30 1HG2 THR 30 -4.578 5.024 -9.333 208 HG22 THR 30 2HG2 THR 30 -4.045 5.960 -10.729 209 HG23 THR 30 3HG2 THR 30 -3.768 6.574 -9.099 210 H ASN 31 H ASN 31 0.346 5.227 -8.180 211 HA ASN 31 HA ASN 31 1.526 2.727 -8.921 212 HB2 ASN 31 1HB ASN 31 2.764 5.274 -7.832 213 HB3 ASN 31 2HB ASN 31 3.686 3.890 -8.407 214 HD21 ASN 31 1HD2 ASN 31 3.836 5.642 -11.421 215 HD22 ASN 31 2HD2 ASN 31 4.676 5.142 -9.995 216 H CYS 32 H CYS 32 0.865 1.221 -7.400 217 HA CYS 32 HA CYS 32 2.242 1.349 -4.820 218 HB2 CYS 32 2HB CYS 32 -0.744 0.849 -5.102 219 HB3 CYS 32 1HB CYS 32 0.180 0.683 -3.612 220 H ARG 33 H ARG 33 2.295 -0.752 -3.762 221 HA ARG 33 HA ARG 33 1.781 -3.099 -5.402 222 HB2 ARG 33 1HB ARG 33 3.867 -2.603 -6.348 223 HB3 ARG 33 2HB ARG 33 4.513 -1.964 -4.853 224 HG2 ARG 33 1HG ARG 33 4.720 -4.225 -3.956 225 HG3 ARG 33 2HG ARG 33 4.026 -4.884 -5.441 226 HD2 ARG 33 1HD ARG 33 6.553 -4.944 -5.291 227 HD3 ARG 33 2HD ARG 33 5.893 -4.174 -6.736 228 HE ARG 33 HE ARG 33 6.723 -2.557 -4.416 229 HH11 ARG 33 1HH1 ARG 33 7.060 -3.375 -7.801 230 HH12 ARG 33 2HH1 ARG 33 8.034 -1.988 -8.175 231 HH21 ARG 33 1HH2 ARG 33 7.973 -0.712 -4.898 232 HH22 ARG 33 2HH2 ARG 33 8.566 -0.470 -6.514 233 H VAL 34 H VAL 34 2.193 -5.119 -4.135 234 HA VAL 34 HA VAL 34 1.720 -4.545 -1.271 235 HB VAL 34 HB VAL 34 0.340 -6.593 -1.207 236 HG11 VAL 34 1HG1 VAL 34 -1.587 -5.716 -2.478 237 HG12 VAL 34 2HG1 VAL 34 -0.512 -4.582 -3.296 238 HG13 VAL 34 3HG1 VAL 34 -0.762 -4.457 -1.555 239 HG21 VAL 34 1HG2 VAL 34 1.369 -7.846 -3.023 240 HG22 VAL 34 2HG2 VAL 34 0.800 -6.660 -4.196 241 HG23 VAL 34 3HG2 VAL 34 -0.356 -7.663 -3.322 242 H HIS 35 H HIS 35 2.580 -5.903 0.290 243 HA HIS 35 HA HIS 35 4.184 -8.205 -0.473 244 HB2 HIS 35 1HB HIS 35 5.777 -6.281 -0.591 245 HB3 HIS 35 2HB HIS 35 5.397 -5.893 1.084 246 HD1 HIS 35 HD1 HIS 35 6.110 -7.793 2.878 247 HD2 HIS 35 HD2 HIS 35 7.777 -8.116 -0.916 248 HE1 HIS 35 HE1 HIS 35 8.050 -9.363 3.126 249 HE2 HIS 35 HE2 HIS 35 8.918 -9.689 0.789 250 H CYS 36 H CYS 36 4.584 -9.600 1.328 251 HA CYS 36 HA CYS 36 3.757 -8.838 3.981 252 HB2 CYS 36 2HB CYS 36 1.606 -9.459 2.777 253 HB3 CYS 36 1HB CYS 36 2.241 -11.097 2.650 254 H GLY 37 H GLY 37 3.850 -10.979 5.417 255 HA2 GLY 37 1HA GLY 37 5.771 -12.918 4.436 256 HA3 GLY 37 2HA GLY 37 6.404 -11.807 5.645 Start of MODEL 14 1 H1 ALA 1 1H ALA 1 3.696 -11.023 12.488 2 H2 ALA 1 2H ALA 1 4.364 -9.472 12.419 3 H3 ALA 1 3H ALA 1 5.370 -10.828 12.377 4 HA ALA 1 HA ALA 1 5.160 -9.861 10.198 5 HB1 ALA 1 1HB ALA 1 5.486 -12.286 10.399 6 HB2 ALA 1 2HB ALA 1 4.524 -11.874 8.979 7 HB3 ALA 1 3HB ALA 1 3.737 -12.520 10.421 8 HA PRO 2 HA PRO 2 0.903 -8.388 9.570 9 HB2 PRO 2 2HB PRO 2 1.482 -5.832 9.020 10 HB3 PRO 2 1HB PRO 2 1.496 -6.431 10.683 11 HG2 PRO 2 2HG PRO 2 3.776 -5.777 8.892 12 HG3 PRO 2 1HG PRO 2 3.664 -5.673 10.657 13 HD2 PRO 2 2HD PRO 2 4.834 -7.769 9.123 14 HD3 PRO 2 1HD PRO 2 4.583 -7.737 10.878 15 H CYS 3 H CYS 3 2.130 -6.069 7.495 16 HA CYS 3 HA CYS 3 2.890 -7.710 5.286 17 HB2 CYS 3 2HB CYS 3 0.381 -7.886 5.239 18 HB3 CYS 3 1HB CYS 3 0.311 -6.140 5.012 19 H GLU 4 H GLU 4 3.487 -6.350 3.394 20 HA GLU 4 HA GLU 4 4.248 -3.628 4.260 21 HB2 GLU 4 1HB GLU 4 5.955 -5.667 2.811 22 HB3 GLU 4 2HB GLU 4 6.427 -4.003 3.132 23 HG2 GLU 4 1HG GLU 4 6.459 -4.397 5.496 24 HG3 GLU 4 2HG GLU 4 5.744 -5.996 5.290 25 H CYS 5 H CYS 5 4.398 -2.065 2.619 26 HA CYS 5 HA CYS 5 3.484 -2.822 -0.048 27 HB2 CYS 5 2HB CYS 5 2.153 -0.805 1.768 28 HB3 CYS 5 1HB CYS 5 1.857 -0.903 0.039 29 H ASP 6 H ASP 6 4.174 -1.521 -1.678 30 HA ASP 6 HA ASP 6 5.922 0.756 -0.999 31 HB2 ASP 6 1HB ASP 6 7.106 -1.090 -2.143 32 HB3 ASP 6 2HB ASP 6 5.951 -1.015 -3.465 33 H VAL 7 H VAL 7 4.794 2.560 -1.261 34 HA VAL 7 HA VAL 7 2.915 2.815 -3.484 35 HB VAL 7 HB VAL 7 1.980 4.699 -2.033 36 HG11 VAL 7 1HG1 VAL 7 0.795 2.596 -2.314 37 HG12 VAL 7 2HG1 VAL 7 0.633 3.163 -0.653 38 HG13 VAL 7 3HG1 VAL 7 1.759 1.862 -1.035 39 HG21 VAL 7 1HG2 VAL 7 2.378 4.543 0.379 40 HG22 VAL 7 2HG2 VAL 7 3.859 4.931 -0.498 41 HG23 VAL 7 3HG2 VAL 7 3.589 3.292 0.091 42 H ASN 8 H ASN 8 4.134 3.682 -5.063 43 HA ASN 8 HA ASN 8 5.155 5.277 -6.307 44 HB2 ASN 8 1HB ASN 8 3.398 6.722 -5.222 45 HB3 ASN 8 2HB ASN 8 4.588 7.165 -4.004 46 HD21 ASN 8 1HD2 ASN 8 5.215 9.940 -6.031 47 HD22 ASN 8 2HD2 ASN 8 4.555 9.333 -4.552 48 H GLY 9 H GLY 9 6.565 3.725 -4.102 49 HA2 GLY 9 1HA GLY 9 8.970 3.564 -4.092 50 HA3 GLY 9 2HA GLY 9 9.050 5.320 -4.145 51 H GLU 10 H GLU 10 6.708 5.149 -2.096 52 HA GLU 10 HA GLU 10 8.379 5.173 0.273 53 HB2 GLU 10 1HB GLU 10 5.376 5.493 0.013 54 HB3 GLU 10 2HB GLU 10 6.331 5.836 1.448 55 HG2 GLU 10 1HG GLU 10 6.521 7.287 -1.184 56 HG3 GLU 10 2HG GLU 10 5.695 7.870 0.259 57 H THR 11 H THR 11 8.353 3.624 1.902 58 HA THR 11 HA THR 11 6.846 1.158 1.297 59 HB THR 11 HB THR 11 9.457 1.420 2.823 60 HG1 THR 11 1HG THR 11 8.912 1.236 0.157 61 HG21 THR 11 1HG2 THR 11 8.130 -0.491 3.576 62 HG22 THR 11 2HG2 THR 11 9.527 -1.039 2.649 63 HG23 THR 11 3HG2 THR 11 7.925 -1.025 1.909 64 H TYR 12 H TYR 12 5.113 1.066 2.560 65 HA TYR 12 HA TYR 12 5.415 1.713 5.431 66 HB2 TYR 12 2HB TYR 12 2.891 1.958 3.763 67 HB3 TYR 12 1HB TYR 12 3.042 2.336 5.474 68 HD1 TYR 12 1HD TYR 12 5.276 4.012 5.812 69 HD2 TYR 12 2HD TYR 12 2.647 3.850 2.468 70 HE1 TYR 12 1HE TYR 12 5.854 6.335 5.250 71 HE2 TYR 12 2HE TYR 12 3.222 6.168 1.894 72 HH TYR 12 HH TYR 12 5.857 7.773 3.132 73 H THR 13 H THR 13 3.780 0.509 6.787 74 HA THR 13 HA THR 13 3.509 -2.244 5.769 75 HB THR 13 HB THR 13 3.502 -2.888 8.230 76 HG1 THR 13 1HG THR 13 4.609 -0.265 8.519 77 HG21 THR 13 1HG2 THR 13 5.957 -2.783 8.439 78 HG22 THR 13 2HG2 THR 13 6.019 -1.618 7.118 79 HG23 THR 13 3HG2 THR 13 5.468 -3.267 6.815 80 H VAL 14 H VAL 14 1.564 -3.193 5.811 81 HA VAL 14 HA VAL 14 -0.698 -1.667 6.941 82 HB VAL 14 HB VAL 14 -2.086 -2.513 5.056 83 HG11 VAL 14 1HG1 VAL 14 -1.187 -0.991 3.341 84 HG12 VAL 14 2HG1 VAL 14 0.325 -0.881 4.244 85 HG13 VAL 14 3HG1 VAL 14 -1.170 -0.264 4.949 86 HG21 VAL 14 1HG2 VAL 14 -0.727 -4.481 4.489 87 HG22 VAL 14 2HG2 VAL 14 0.554 -3.424 3.893 88 HG23 VAL 14 3HG2 VAL 14 -1.013 -3.461 3.080 89 H SER 15 H SER 15 -2.725 -3.130 7.056 90 HA SER 15 HA SER 15 -1.963 -5.379 8.727 91 HB2 SER 15 1HB SER 15 -4.699 -4.200 8.171 92 HB3 SER 15 2HB SER 15 -4.296 -5.348 9.451 93 HG SER 15 HG SER 15 -2.763 -3.039 9.382 94 H SER 16 H SER 16 -3.230 -4.863 5.542 95 HA SER 16 HA SER 16 -3.104 -7.644 4.915 96 HB2 SER 16 1HB SER 16 -5.502 -7.938 4.338 97 HB3 SER 16 2HB SER 16 -5.278 -7.657 6.066 98 HG SER 16 HG SER 16 -6.798 -6.223 5.651 99 H SER 17 H SER 17 -3.936 -8.014 2.619 100 HA SER 17 HA SER 17 -2.900 -6.167 0.787 101 HB2 SER 17 1HB SER 17 -4.252 -7.516 -0.896 102 HB3 SER 17 2HB SER 17 -3.179 -8.465 0.134 103 HG SER 17 HG SER 17 -4.926 -9.548 0.565 104 H GLU 18 H GLU 18 -6.214 -6.781 1.856 105 HA GLU 18 HA GLU 18 -7.567 -4.853 0.378 106 HB2 GLU 18 1HB GLU 18 -8.740 -6.521 1.708 107 HB3 GLU 18 2HB GLU 18 -8.092 -5.838 3.195 108 HG2 GLU 18 1HG GLU 18 -9.325 -3.743 2.723 109 HG3 GLU 18 2HG GLU 18 -10.034 -4.516 1.306 110 H GLU 19 H GLU 19 -6.018 -4.578 3.560 111 HA GLU 19 HA GLU 19 -6.624 -1.871 4.019 112 HB2 GLU 19 1HB GLU 19 -5.781 -3.532 5.717 113 HB3 GLU 19 2HB GLU 19 -4.182 -3.371 5.006 114 HG2 GLU 19 1HG GLU 19 -4.391 -2.019 7.011 115 HG3 GLU 19 2HG GLU 19 -4.147 -1.004 5.589 116 H CYS 20 H CYS 20 -4.058 -3.439 2.215 117 HA CYS 20 HA CYS 20 -2.422 -1.151 1.839 118 HB2 CYS 20 2HB CYS 20 -1.790 -3.598 1.443 119 HB3 CYS 20 1HB CYS 20 -2.653 -3.468 -0.088 120 H GLU 21 H GLU 21 -4.929 -2.682 -0.165 121 HA GLU 21 HA GLU 21 -5.009 -0.837 -2.265 122 HB2 GLU 21 1HB GLU 21 -7.165 -2.558 -1.015 123 HB3 GLU 21 2HB GLU 21 -7.440 -1.595 -2.461 124 HG2 GLU 21 1HG GLU 21 -5.271 -3.674 -2.266 125 HG3 GLU 21 2HG GLU 21 -6.907 -4.027 -2.824 126 H ARG 22 H ARG 22 -6.619 -0.887 0.861 127 HA ARG 22 HA ARG 22 -8.292 1.337 0.522 128 HB2 ARG 22 1HB ARG 22 -8.201 -0.479 2.401 129 HB3 ARG 22 2HB ARG 22 -7.057 0.610 3.171 130 HG2 ARG 22 1HG ARG 22 -9.237 1.002 4.084 131 HG3 ARG 22 2HG ARG 22 -8.784 2.399 3.101 132 HD2 ARG 22 1HD ARG 22 -10.186 1.665 1.300 133 HD3 ARG 22 2HD ARG 22 -10.491 0.120 2.094 134 HE ARG 22 HE ARG 22 -11.336 2.271 3.736 135 HH11 ARG 22 1HH1 ARG 22 -12.236 0.465 0.865 136 HH12 ARG 22 2HH1 ARG 22 -13.937 0.764 1.057 137 HH21 ARG 22 1HH2 ARG 22 -13.578 2.648 3.998 138 HH22 ARG 22 2HH2 ARG 22 -14.696 2.022 2.826 139 H LEU 23 H LEU 23 -5.049 1.035 1.921 140 HA LEU 23 HA LEU 23 -4.672 3.757 2.547 141 HB2 LEU 23 1HB LEU 23 -3.317 1.920 3.482 142 HB3 LEU 23 2HB LEU 23 -2.613 1.632 1.902 143 HG LEU 23 HG LEU 23 -1.604 3.906 1.968 144 HD11 LEU 23 1HD1 LEU 23 -3.203 4.982 3.463 145 HD12 LEU 23 2HD1 LEU 23 -1.560 5.147 4.073 146 HD13 LEU 23 3HD1 LEU 23 -2.654 3.969 4.798 147 HD21 LEU 23 1HD2 LEU 23 -0.291 1.965 2.657 148 HD22 LEU 23 2HD2 LEU 23 -0.894 2.125 4.306 149 HD23 LEU 23 3HD2 LEU 23 0.133 3.382 3.618 150 H CYS 24 H CYS 24 -3.977 1.863 -0.351 151 HA CYS 24 HA CYS 24 -2.464 3.792 -1.722 152 HB2 CYS 24 2HB CYS 24 -2.636 1.373 -2.360 153 HB3 CYS 24 1HB CYS 24 -4.255 1.688 -2.972 154 H ARG 25 H ARG 25 -5.964 3.067 -1.862 155 HA ARG 25 HA ARG 25 -6.632 5.225 -3.566 156 HB2 ARG 25 1HB ARG 25 -8.175 3.451 -1.709 157 HB3 ARG 25 2HB ARG 25 -8.951 4.908 -2.307 158 HG2 ARG 25 1HG ARG 25 -9.598 3.085 -3.689 159 HG3 ARG 25 2HG ARG 25 -8.531 4.125 -4.627 160 HD2 ARG 25 1HD ARG 25 -7.422 1.755 -3.173 161 HD3 ARG 25 2HD ARG 25 -8.263 1.531 -4.702 162 HE ARG 25 HE ARG 25 -6.250 3.541 -4.910 163 HH11 ARG 25 1HH1 ARG 25 -6.711 0.070 -4.776 164 HH12 ARG 25 2HH1 ARG 25 -5.308 -0.289 -5.731 165 HH21 ARG 25 1HH2 ARG 25 -4.416 3.079 -6.176 166 HH22 ARG 25 2HH2 ARG 25 -3.988 1.434 -6.527 167 H LYS 26 H LYS 26 -6.409 4.910 -0.059 168 HA LYS 26 HA LYS 26 -7.577 7.308 0.738 169 HB2 LYS 26 1HB LYS 26 -7.000 5.587 2.341 170 HB3 LYS 26 2HB LYS 26 -5.292 5.739 1.953 171 HG2 LYS 26 1HG LYS 26 -5.314 8.033 2.866 172 HG3 LYS 26 2HG LYS 26 -7.004 7.811 3.323 173 HD2 LYS 26 1HD LYS 26 -6.383 5.979 4.811 174 HD3 LYS 26 2HD LYS 26 -4.698 6.114 4.305 175 HE2 LYS 26 1HE LYS 26 -4.995 7.198 6.447 176 HE3 LYS 26 2HE LYS 26 -4.638 8.408 5.217 177 HZ1 LYS 26 1HZ LYS 26 -7.043 8.856 5.083 178 HZ2 LYS 26 2HZ LYS 26 -6.400 9.185 6.611 179 HZ3 LYS 26 3HZ LYS 26 -7.302 7.777 6.360 180 H LEU 27 H LEU 27 -4.181 6.627 -0.052 181 HA LEU 27 HA LEU 27 -3.448 9.416 0.205 182 HB2 LEU 27 1HB LEU 27 -1.836 7.073 -0.825 183 HB3 LEU 27 2HB LEU 27 -1.204 8.662 -0.436 184 HG LEU 27 HG LEU 27 -2.390 6.698 1.534 185 HD11 LEU 27 1HD1 LEU 27 0.465 7.589 1.129 186 HD12 LEU 27 2HD1 LEU 27 -0.203 6.009 0.716 187 HD13 LEU 27 3HD1 LEU 27 -0.117 6.515 2.402 188 HD21 LEU 27 1HD2 LEU 27 -2.870 8.980 2.224 189 HD22 LEU 27 2HD2 LEU 27 -1.178 9.428 2.004 190 HD23 LEU 27 3HD2 LEU 27 -1.630 8.278 3.264 191 H GLY 28 H GLY 28 -4.541 7.281 -2.260 192 HA2 GLY 28 1HA GLY 28 -5.069 7.670 -4.466 193 HA3 GLY 28 2HA GLY 28 -4.615 9.354 -4.239 194 H VAL 29 H VAL 29 -2.869 6.284 -3.959 195 HA VAL 29 HA VAL 29 -0.561 7.466 -5.274 196 HB VAL 29 HB VAL 29 -0.897 4.701 -4.078 197 HG11 VAL 29 1HG1 VAL 29 0.889 4.765 -5.734 198 HG12 VAL 29 2HG1 VAL 29 1.560 4.620 -4.110 199 HG13 VAL 29 3HG1 VAL 29 1.598 6.175 -4.941 200 HG21 VAL 29 1HG2 VAL 29 0.367 5.581 -2.162 201 HG22 VAL 29 2HG2 VAL 29 -1.161 6.433 -2.382 202 HG23 VAL 29 3HG2 VAL 29 0.350 7.189 -2.890 203 H THR 30 H THR 30 0.314 6.766 -7.186 204 HA THR 30 HA THR 30 -1.399 5.508 -9.099 205 HB THR 30 HB THR 30 0.655 5.692 -10.569 206 HG1 THR 30 1HG THR 30 2.441 6.799 -9.682 207 HG21 THR 30 1HG2 THR 30 -1.002 7.498 -10.500 208 HG22 THR 30 2HG2 THR 30 0.626 8.149 -10.675 209 HG23 THR 30 3HG2 THR 30 -0.184 8.208 -9.109 210 H ASN 31 H ASN 31 1.853 4.683 -7.924 211 HA ASN 31 HA ASN 31 1.376 1.863 -8.611 212 HB2 ASN 31 1HB ASN 31 3.327 2.894 -9.678 213 HB3 ASN 31 2HB ASN 31 3.962 3.369 -8.106 214 HD21 ASN 31 1HD2 ASN 31 5.255 0.207 -7.312 215 HD22 ASN 31 2HD2 ASN 31 4.795 1.764 -6.720 216 H CYS 32 H CYS 32 0.507 0.871 -6.866 217 HA CYS 32 HA CYS 32 2.101 0.951 -4.379 218 HB2 CYS 32 2HB CYS 32 -0.131 0.285 -3.251 219 HB3 CYS 32 1HB CYS 32 0.094 1.966 -3.718 220 H ARG 33 H ARG 33 3.066 -0.909 -4.006 221 HA ARG 33 HA ARG 33 1.943 -3.398 -5.132 222 HB2 ARG 33 1HB ARG 33 4.088 -2.808 -6.128 223 HB3 ARG 33 2HB ARG 33 4.808 -2.599 -4.541 224 HG2 ARG 33 1HG ARG 33 5.530 -4.675 -5.579 225 HG3 ARG 33 2HG ARG 33 4.608 -4.988 -4.110 226 HD2 ARG 33 1HD ARG 33 2.761 -5.789 -5.290 227 HD3 ARG 33 2HD ARG 33 3.257 -4.999 -6.789 228 HE ARG 33 HE ARG 33 4.860 -6.694 -7.140 229 HH11 ARG 33 1HH1 ARG 33 2.911 -7.324 -4.289 230 HH12 ARG 33 2HH1 ARG 33 3.300 -9.013 -4.246 231 HH21 ARG 33 1HH2 ARG 33 5.350 -8.915 -7.087 232 HH22 ARG 33 2HH2 ARG 33 4.666 -9.921 -5.847 233 H VAL 34 H VAL 34 1.440 -4.999 -3.722 234 HA VAL 34 HA VAL 34 2.125 -4.551 -0.884 235 HB VAL 34 HB VAL 34 -0.278 -4.332 -1.286 236 HG11 VAL 34 1HG1 VAL 34 -0.141 -7.137 -2.400 237 HG12 VAL 34 2HG1 VAL 34 -0.488 -5.665 -3.307 238 HG13 VAL 34 3HG1 VAL 34 -1.626 -6.235 -2.085 239 HG21 VAL 34 1HG2 VAL 34 -1.096 -5.989 0.333 240 HG22 VAL 34 2HG2 VAL 34 0.448 -5.303 0.842 241 HG23 VAL 34 3HG2 VAL 34 0.390 -6.918 0.135 242 H HIS 35 H HIS 35 2.975 -6.202 0.285 243 HA HIS 35 HA HIS 35 2.959 -8.923 -0.706 244 HB2 HIS 35 1HB HIS 35 5.444 -9.160 -0.533 245 HB3 HIS 35 2HB HIS 35 4.936 -8.121 -1.859 246 HD1 HIS 35 HD1 HIS 35 7.099 -8.194 1.087 247 HD2 HIS 35 HD2 HIS 35 5.309 -5.279 -1.281 248 HE1 HIS 35 HE1 HIS 35 8.367 -6.073 1.549 249 HE2 HIS 35 HE2 HIS 35 7.369 -4.369 -0.015 250 H CYS 36 H CYS 36 2.655 -10.219 0.975 251 HA CYS 36 HA CYS 36 3.244 -9.174 3.673 252 HB2 CYS 36 2HB CYS 36 1.143 -11.255 3.052 253 HB3 CYS 36 1HB CYS 36 1.296 -10.251 4.489 254 H GLY 37 H GLY 37 4.768 -10.274 4.767 255 HA2 GLY 37 1HA GLY 37 4.959 -13.137 4.679 256 HA3 GLY 37 2HA GLY 37 6.277 -12.346 3.822 Start of MODEL 15 1 H1 ALA 1 1H ALA 1 0.246 -13.340 9.525 2 H2 ALA 1 2H ALA 1 1.235 -12.383 10.509 3 H3 ALA 1 3H ALA 1 1.712 -13.950 10.101 4 HA ALA 1 HA ALA 1 2.919 -12.276 8.848 5 HB1 ALA 1 1HB ALA 1 2.581 -13.287 6.642 6 HB2 ALA 1 2HB ALA 1 1.055 -13.983 7.189 7 HB3 ALA 1 3HB ALA 1 2.575 -14.514 7.908 8 HA PRO 2 HA PRO 2 -0.003 -8.920 7.880 9 HB2 PRO 2 2HB PRO 2 1.724 -6.890 8.152 10 HB3 PRO 2 1HB PRO 2 1.094 -7.743 9.568 11 HG2 PRO 2 2HG PRO 2 3.741 -8.061 8.193 12 HG3 PRO 2 1HG PRO 2 3.386 -7.985 9.929 13 HD2 PRO 2 2HD PRO 2 3.784 -10.329 8.545 14 HD3 PRO 2 1HD PRO 2 2.832 -10.206 10.037 15 H CYS 3 H CYS 3 0.981 -6.701 6.494 16 HA CYS 3 HA CYS 3 2.110 -7.836 4.024 17 HB2 CYS 3 2HB CYS 3 -0.223 -5.919 4.229 18 HB3 CYS 3 1HB CYS 3 0.588 -6.344 2.730 19 H GLU 4 H GLU 4 3.634 -6.635 3.062 20 HA GLU 4 HA GLU 4 4.365 -4.055 4.291 21 HB2 GLU 4 1HB GLU 4 6.143 -6.092 2.909 22 HB3 GLU 4 2HB GLU 4 6.681 -4.613 3.701 23 HG2 GLU 4 1HG GLU 4 6.090 -5.446 5.850 24 HG3 GLU 4 2HG GLU 4 5.218 -6.810 5.155 25 H CYS 5 H CYS 5 4.352 -2.312 2.951 26 HA CYS 5 HA CYS 5 3.674 -2.875 0.138 27 HB2 CYS 5 2HB CYS 5 2.456 -0.875 2.045 28 HB3 CYS 5 1HB CYS 5 2.130 -0.899 0.316 29 H ASP 6 H ASP 6 4.410 -1.609 -1.434 30 HA ASP 6 HA ASP 6 6.143 0.688 -0.783 31 HB2 ASP 6 1HB ASP 6 7.368 -1.081 -1.958 32 HB3 ASP 6 2HB ASP 6 6.133 -1.150 -3.207 33 H VAL 7 H VAL 7 4.785 2.391 -0.883 34 HA VAL 7 HA VAL 7 2.864 2.611 -3.102 35 HB VAL 7 HB VAL 7 2.730 3.973 -0.396 36 HG11 VAL 7 1HG1 VAL 7 0.695 3.765 -2.620 37 HG12 VAL 7 2HG1 VAL 7 1.589 5.212 -2.155 38 HG13 VAL 7 3HG1 VAL 7 0.418 4.506 -1.043 39 HG21 VAL 7 1HG2 VAL 7 2.455 1.563 -0.117 40 HG22 VAL 7 2HG2 VAL 7 1.205 1.546 -1.364 41 HG23 VAL 7 3HG2 VAL 7 0.927 2.400 0.155 42 H ASN 8 H ASN 8 3.694 3.923 -4.614 43 HA ASN 8 HA ASN 8 4.527 5.760 -5.653 44 HB2 ASN 8 1HB ASN 8 2.826 6.913 -4.202 45 HB3 ASN 8 2HB ASN 8 4.091 7.187 -3.010 46 HD21 ASN 8 1HD2 ASN 8 5.490 9.914 -4.666 47 HD22 ASN 8 2HD2 ASN 8 5.605 8.777 -3.370 48 H GLY 9 H GLY 9 6.208 3.922 -3.990 49 HA2 GLY 9 1HA GLY 9 8.575 3.806 -4.039 50 HA3 GLY 9 2HA GLY 9 8.645 5.565 -3.991 51 H GLU 10 H GLU 10 6.469 5.293 -1.805 52 HA GLU 10 HA GLU 10 8.298 5.361 0.418 53 HB2 GLU 10 1HB GLU 10 5.269 5.450 0.424 54 HB3 GLU 10 2HB GLU 10 6.330 5.911 1.750 55 HG2 GLU 10 1HG GLU 10 6.182 7.294 -0.925 56 HG3 GLU 10 2HG GLU 10 5.391 7.837 0.554 57 H THR 11 H THR 11 8.345 3.903 2.165 58 HA THR 11 HA THR 11 7.178 1.256 1.574 59 HB THR 11 HB THR 11 9.698 1.866 3.153 60 HG1 THR 11 1HG THR 11 9.711 2.210 0.774 61 HG21 THR 11 1HG2 THR 11 8.603 -0.207 3.872 62 HG22 THR 11 2HG2 THR 11 10.089 -0.563 2.990 63 HG23 THR 11 3HG2 THR 11 8.525 -0.757 2.198 64 H TYR 12 H TYR 12 5.520 0.814 2.853 65 HA TYR 12 HA TYR 12 5.647 1.557 5.706 66 HB2 TYR 12 2HB TYR 12 3.249 1.883 3.876 67 HB3 TYR 12 1HB TYR 12 3.187 2.044 5.623 68 HD1 TYR 12 1HD TYR 12 5.100 3.745 6.556 69 HD2 TYR 12 2HD TYR 12 3.323 3.871 2.683 70 HE1 TYR 12 1HE TYR 12 5.677 6.128 6.371 71 HE2 TYR 12 2HE TYR 12 3.898 6.252 2.492 72 HH TYR 12 HH TYR 12 6.071 7.793 4.568 73 H THR 13 H THR 13 4.208 0.255 7.056 74 HA THR 13 HA THR 13 3.733 -2.418 5.916 75 HB THR 13 HB THR 13 3.858 -3.170 8.359 76 HG1 THR 13 1HG THR 13 4.801 -1.793 9.809 77 HG21 THR 13 1HG2 THR 13 6.323 -3.255 8.343 78 HG22 THR 13 2HG2 THR 13 6.349 -2.057 7.050 79 HG23 THR 13 3HG2 THR 13 5.642 -3.649 6.765 80 H VAL 14 H VAL 14 1.745 -3.288 6.082 81 HA VAL 14 HA VAL 14 -0.343 -1.713 7.447 82 HB VAL 14 HB VAL 14 -1.878 -2.199 5.570 83 HG11 VAL 14 1HG1 VAL 14 0.651 -0.776 4.713 84 HG12 VAL 14 2HG1 VAL 14 -0.695 -0.059 5.603 85 HG13 VAL 14 3HG1 VAL 14 -0.932 -0.618 3.948 86 HG21 VAL 14 1HG2 VAL 14 -0.986 -3.036 3.443 87 HG22 VAL 14 2HG2 VAL 14 -0.821 -4.230 4.728 88 HG23 VAL 14 3HG2 VAL 14 0.582 -3.297 4.200 89 H SER 15 H SER 15 -2.392 -2.981 7.681 90 HA SER 15 HA SER 15 -1.758 -5.369 9.121 91 HB2 SER 15 1HB SER 15 -4.515 -4.268 8.533 92 HB3 SER 15 2HB SER 15 -4.023 -5.271 9.899 93 HG SER 15 HG SER 15 -3.479 -2.548 9.391 94 H SER 16 H SER 16 -3.399 -4.643 6.077 95 HA SER 16 HA SER 16 -3.397 -7.476 5.379 96 HB2 SER 16 1HB SER 16 -5.944 -5.831 5.219 97 HB3 SER 16 2HB SER 16 -5.755 -7.544 4.839 98 HG SER 16 HG SER 16 -6.198 -6.342 7.228 99 H SER 17 H SER 17 -3.781 -7.859 3.107 100 HA SER 17 HA SER 17 -2.507 -6.127 1.345 101 HB2 SER 17 1HB SER 17 -3.695 -7.562 -0.426 102 HB3 SER 17 2HB SER 17 -2.694 -8.423 0.746 103 HG SER 17 HG SER 17 -5.153 -8.951 0.230 104 H GLU 18 H GLU 18 -5.988 -6.703 1.779 105 HA GLU 18 HA GLU 18 -6.952 -4.842 -0.047 106 HB2 GLU 18 1HB GLU 18 -8.162 -5.777 2.567 107 HB3 GLU 18 2HB GLU 18 -9.039 -4.893 1.322 108 HG2 GLU 18 1HG GLU 18 -8.778 -6.691 -0.236 109 HG3 GLU 18 2HG GLU 18 -7.695 -7.547 0.860 110 H GLU 19 H GLU 19 -6.092 -4.429 3.364 111 HA GLU 19 HA GLU 19 -6.872 -1.747 3.633 112 HB2 GLU 19 1HB GLU 19 -6.290 -3.212 5.546 113 HB3 GLU 19 2HB GLU 19 -4.603 -3.171 5.049 114 HG2 GLU 19 1HG GLU 19 -4.539 -0.757 5.431 115 HG3 GLU 19 2HG GLU 19 -6.235 -0.783 5.908 116 H CYS 20 H CYS 20 -3.897 -3.237 2.468 117 HA CYS 20 HA CYS 20 -2.298 -0.971 2.153 118 HB2 CYS 20 2HB CYS 20 -1.615 -3.381 1.773 119 HB3 CYS 20 1HB CYS 20 -2.442 -3.305 0.224 120 H GLU 21 H GLU 21 -4.661 -2.426 -0.052 121 HA GLU 21 HA GLU 21 -4.361 -0.597 -2.176 122 HB2 GLU 21 1HB GLU 21 -6.800 -2.225 -1.409 123 HB3 GLU 21 2HB GLU 21 -6.501 -1.493 -2.980 124 HG2 GLU 21 1HG GLU 21 -4.572 -2.934 -3.311 125 HG3 GLU 21 2HG GLU 21 -4.811 -3.639 -1.712 126 H ARG 22 H ARG 22 -6.487 -0.644 0.657 127 HA ARG 22 HA ARG 22 -8.072 1.555 0.012 128 HB2 ARG 22 1HB ARG 22 -7.219 0.335 2.644 129 HB3 ARG 22 2HB ARG 22 -8.413 1.592 2.506 130 HG2 ARG 22 1HG ARG 22 -8.639 -1.113 1.224 131 HG3 ARG 22 2HG ARG 22 -9.401 -0.650 2.747 132 HD2 ARG 22 1HD ARG 22 -10.613 1.153 1.526 133 HD3 ARG 22 2HD ARG 22 -9.928 0.543 0.019 134 HE ARG 22 HE ARG 22 -11.111 -1.609 0.607 135 HH11 ARG 22 1HH1 ARG 22 -12.295 1.505 1.705 136 HH12 ARG 22 2HH1 ARG 22 -13.946 0.987 1.778 137 HH21 ARG 22 1HH2 ARG 22 -13.288 -2.285 0.733 138 HH22 ARG 22 2HH2 ARG 22 -14.511 -1.158 1.231 139 H LEU 23 H LEU 23 -5.058 1.293 1.889 140 HA LEU 23 HA LEU 23 -4.820 4.018 2.555 141 HB2 LEU 23 1HB LEU 23 -3.539 2.250 3.675 142 HB3 LEU 23 2HB LEU 23 -2.673 1.917 2.189 143 HG LEU 23 HG LEU 23 -1.643 4.159 2.284 144 HD11 LEU 23 1HD1 LEU 23 -1.867 5.532 4.300 145 HD12 LEU 23 2HD1 LEU 23 -3.074 4.411 4.934 146 HD13 LEU 23 3HD1 LEU 23 -3.415 5.343 3.474 147 HD21 LEU 23 1HD2 LEU 23 -0.475 2.257 3.275 148 HD22 LEU 23 2HD2 LEU 23 -1.288 2.545 4.814 149 HD23 LEU 23 3HD2 LEU 23 -0.153 3.738 4.177 150 H CYS 24 H CYS 24 -3.628 2.119 -0.175 151 HA CYS 24 HA CYS 24 -2.139 4.110 -1.465 152 HB2 CYS 24 2HB CYS 24 -2.051 1.708 -2.050 153 HB3 CYS 24 1HB CYS 24 -3.686 1.806 -2.693 154 H ARG 25 H ARG 25 -5.553 3.170 -1.831 155 HA ARG 25 HA ARG 25 -6.115 5.153 -3.803 156 HB2 ARG 25 1HB ARG 25 -8.240 4.279 -3.877 157 HB3 ARG 25 2HB ARG 25 -7.372 2.913 -3.199 158 HG2 ARG 25 1HG ARG 25 -8.187 3.386 -1.002 159 HG3 ARG 25 2HG ARG 25 -8.878 4.922 -1.534 160 HD2 ARG 25 1HD ARG 25 -9.760 2.141 -2.308 161 HD3 ARG 25 2HD ARG 25 -10.670 3.344 -1.393 162 HE ARG 25 HE ARG 25 -10.056 3.464 -4.275 163 HH11 ARG 25 1HH1 ARG 25 -12.012 4.460 -1.547 164 HH12 ARG 25 2HH1 ARG 25 -13.029 5.500 -2.494 165 HH21 ARG 25 1HH2 ARG 25 -11.385 4.815 -5.528 166 HH22 ARG 25 2HH2 ARG 25 -12.665 5.714 -4.768 167 H LYS 26 H LYS 26 -6.113 5.053 -0.354 168 HA LYS 26 HA LYS 26 -7.646 7.378 0.176 169 HB2 LYS 26 1HB LYS 26 -7.056 5.611 1.849 170 HB3 LYS 26 2HB LYS 26 -5.392 6.161 1.809 171 HG2 LYS 26 1HG LYS 26 -7.624 8.019 2.579 172 HG3 LYS 26 2HG LYS 26 -6.917 6.905 3.746 173 HD2 LYS 26 1HD LYS 26 -4.686 7.905 3.272 174 HD3 LYS 26 2HD LYS 26 -5.475 9.078 2.216 175 HE2 LYS 26 1HE LYS 26 -5.944 8.730 5.181 176 HE3 LYS 26 2HE LYS 26 -5.078 10.054 4.402 177 HZ1 LYS 26 1HZ LYS 26 -7.387 10.611 5.011 178 HZ2 LYS 26 2HZ LYS 26 -7.944 9.438 3.932 179 HZ3 LYS 26 3HZ LYS 26 -7.087 10.775 3.356 180 H LEU 27 H LEU 27 -4.182 6.783 -0.255 181 HA LEU 27 HA LEU 27 -3.448 9.550 -0.055 182 HB2 LEU 27 1HB LEU 27 -1.911 7.197 -1.181 183 HB3 LEU 27 2HB LEU 27 -1.236 8.782 -0.844 184 HG LEU 27 HG LEU 27 -2.351 6.869 1.220 185 HD11 LEU 27 1HD1 LEU 27 0.495 7.676 0.613 186 HD12 LEU 27 2HD1 LEU 27 -0.234 6.099 0.307 187 HD13 LEU 27 3HD1 LEU 27 -0.022 6.665 1.963 188 HD21 LEU 27 1HD2 LEU 27 -1.028 9.567 1.568 189 HD22 LEU 27 2HD2 LEU 27 -1.464 8.460 2.869 190 HD23 LEU 27 3HD2 LEU 27 -2.724 9.189 1.874 191 H GLY 28 H GLY 28 -4.525 7.436 -2.568 192 HA2 GLY 28 1HA GLY 28 -5.415 8.095 -4.622 193 HA3 GLY 28 2HA GLY 28 -4.718 9.693 -4.396 194 H VAL 29 H VAL 29 -3.182 6.513 -4.302 195 HA VAL 29 HA VAL 29 -1.362 7.375 -6.463 196 HB VAL 29 HB VAL 29 -0.825 5.303 -4.312 197 HG11 VAL 29 1HG1 VAL 29 1.042 6.616 -6.297 198 HG12 VAL 29 2HG1 VAL 29 0.453 4.953 -6.372 199 HG13 VAL 29 3HG1 VAL 29 1.505 5.459 -5.049 200 HG21 VAL 29 1HG2 VAL 29 -1.032 7.504 -3.284 201 HG22 VAL 29 2HG2 VAL 29 0.108 8.179 -4.449 202 HG23 VAL 29 3HG2 VAL 29 0.650 6.978 -3.276 203 H THR 30 H THR 30 -0.831 5.868 -8.086 204 HA THR 30 HA THR 30 -2.636 3.563 -8.341 205 HB THR 30 HB THR 30 -1.800 3.566 -10.740 206 HG1 THR 30 1HG THR 30 -0.533 5.207 -11.408 207 HG21 THR 30 1HG2 THR 30 -3.191 5.478 -11.419 208 HG22 THR 30 2HG2 THR 30 -3.187 6.076 -9.760 209 HG23 THR 30 3HG2 THR 30 -3.971 4.543 -10.145 210 H ASN 31 H ASN 31 0.742 4.506 -8.233 211 HA ASN 31 HA ASN 31 1.666 1.776 -8.618 212 HB2 ASN 31 1HB ASN 31 3.155 4.369 -8.145 213 HB3 ASN 31 2HB ASN 31 3.951 2.805 -8.293 214 HD21 ASN 31 1HD2 ASN 31 3.773 4.686 -11.564 215 HD22 ASN 31 2HD2 ASN 31 4.211 5.169 -9.962 216 H CYS 32 H CYS 32 1.019 0.621 -6.890 217 HA CYS 32 HA CYS 32 2.555 0.993 -4.450 218 HB2 CYS 32 2HB CYS 32 0.407 0.545 -3.093 219 HB3 CYS 32 1HB CYS 32 0.645 2.171 -3.722 220 H ARG 33 H ARG 33 3.433 -0.937 -4.039 221 HA ARG 33 HA ARG 33 2.091 -3.345 -5.103 222 HB2 ARG 33 1HB ARG 33 4.394 -2.534 -6.042 223 HB3 ARG 33 2HB ARG 33 5.047 -3.170 -4.539 224 HG2 ARG 33 1HG ARG 33 5.286 -4.844 -6.225 225 HG3 ARG 33 2HG ARG 33 4.029 -5.380 -5.105 226 HD2 ARG 33 1HD ARG 33 3.388 -5.778 -7.442 227 HD3 ARG 33 2HD ARG 33 2.302 -4.628 -6.660 228 HE ARG 33 HE ARG 33 4.503 -3.797 -8.453 229 HH11 ARG 33 1HH1 ARG 33 1.171 -3.529 -7.369 230 HH12 ARG 33 2HH1 ARG 33 0.798 -2.235 -8.465 231 HH21 ARG 33 1HH2 ARG 33 4.002 -2.091 -9.871 232 HH22 ARG 33 2HH2 ARG 33 2.399 -1.417 -9.880 233 H VAL 34 H VAL 34 1.781 -5.058 -3.732 234 HA VAL 34 HA VAL 34 2.500 -4.578 -0.910 235 HB VAL 34 HB VAL 34 0.102 -4.336 -1.277 236 HG11 VAL 34 1HG1 VAL 34 0.160 -7.174 -2.321 237 HG12 VAL 34 2HG1 VAL 34 -0.151 -5.720 -3.270 238 HG13 VAL 34 3HG1 VAL 34 -1.290 -6.214 -2.020 239 HG21 VAL 34 1HG2 VAL 34 -0.710 -5.957 0.379 240 HG22 VAL 34 2HG2 VAL 34 0.838 -5.262 0.855 241 HG23 VAL 34 3HG2 VAL 34 0.771 -6.893 0.188 242 H HIS 35 H HIS 35 3.502 -6.131 0.195 243 HA HIS 35 HA HIS 35 3.751 -8.825 -0.995 244 HB2 HIS 35 1HB HIS 35 5.664 -7.297 0.799 245 HB3 HIS 35 2HB HIS 35 5.833 -9.010 0.440 246 HD1 HIS 35 HD1 HIS 35 6.899 -9.642 -1.770 247 HD2 HIS 35 HD2 HIS 35 6.170 -5.562 -1.413 248 HE1 HIS 35 HE1 HIS 35 8.123 -8.563 -3.685 249 HE2 HIS 35 HE2 HIS 35 7.814 -6.086 -3.338 250 H CYS 36 H CYS 36 2.357 -10.151 0.047 251 HA CYS 36 HA CYS 36 1.990 -9.773 2.951 252 HB2 CYS 36 2HB CYS 36 0.075 -10.958 0.924 253 HB3 CYS 36 1HB CYS 36 -0.215 -10.874 2.659 254 H GLY 37 H GLY 37 3.212 -11.194 3.996 255 HA2 GLY 37 1HA GLY 37 2.816 -13.918 4.024 256 HA3 GLY 37 2HA GLY 37 4.103 -13.653 2.852 Start of MODEL 16 1 H1 ALA 1 1H ALA 1 2.354 -12.073 10.803 2 H2 ALA 1 2H ALA 1 3.803 -12.941 10.824 3 H3 ALA 1 3H ALA 1 2.794 -13.010 9.471 4 HA ALA 1 HA ALA 1 4.218 -10.615 10.447 5 HB1 ALA 1 1HB ALA 1 5.726 -12.258 9.447 6 HB2 ALA 1 2HB ALA 1 5.570 -10.838 8.413 7 HB3 ALA 1 3HB ALA 1 4.714 -12.326 8.005 8 HA PRO 2 HA PRO 2 0.847 -8.605 8.276 9 HB2 PRO 2 2HB PRO 2 2.489 -6.165 8.546 10 HB3 PRO 2 1HB PRO 2 0.884 -6.514 9.194 11 HG2 PRO 2 2HG PRO 2 3.038 -6.382 10.789 12 HG3 PRO 2 1HG PRO 2 1.722 -7.533 11.092 13 HD2 PRO 2 2HD PRO 2 4.400 -8.014 9.813 14 HD3 PRO 2 1HD PRO 2 3.534 -8.997 11.015 15 H CYS 3 H CYS 3 0.894 -6.641 6.560 16 HA CYS 3 HA CYS 3 2.606 -7.620 4.381 17 HB2 CYS 3 2HB CYS 3 -0.034 -6.141 4.324 18 HB3 CYS 3 1HB CYS 3 0.919 -6.509 2.889 19 H GLU 4 H GLU 4 3.744 -6.194 3.081 20 HA GLU 4 HA GLU 4 4.115 -3.467 4.151 21 HB2 GLU 4 1HB GLU 4 6.103 -5.222 2.680 22 HB3 GLU 4 2HB GLU 4 6.416 -3.599 3.283 23 HG2 GLU 4 1HG GLU 4 6.172 -4.344 5.561 24 HG3 GLU 4 2HG GLU 4 5.693 -5.953 5.020 25 H CYS 5 H CYS 5 3.628 -1.847 2.771 26 HA CYS 5 HA CYS 5 3.086 -2.572 -0.033 27 HB2 CYS 5 2HB CYS 5 1.755 -0.483 1.706 28 HB3 CYS 5 1HB CYS 5 1.363 -0.807 0.013 29 H ASP 6 H ASP 6 3.870 -1.344 -1.641 30 HA ASP 6 HA ASP 6 5.669 0.876 -0.907 31 HB2 ASP 6 1HB ASP 6 6.879 -1.049 -1.832 32 HB3 ASP 6 2HB ASP 6 5.838 -1.048 -3.248 33 H VAL 7 H VAL 7 4.645 2.694 -1.310 34 HA VAL 7 HA VAL 7 3.012 3.015 -3.707 35 HB VAL 7 HB VAL 7 2.060 4.982 -2.365 36 HG11 VAL 7 1HG1 VAL 7 0.840 2.877 -2.738 37 HG12 VAL 7 2HG1 VAL 7 0.489 3.566 -1.153 38 HG13 VAL 7 3HG1 VAL 7 1.595 2.198 -1.294 39 HG21 VAL 7 1HG2 VAL 7 3.832 5.117 -0.683 40 HG22 VAL 7 2HG2 VAL 7 3.385 3.519 -0.085 41 HG23 VAL 7 3HG2 VAL 7 2.255 4.865 0.065 42 H ASN 8 H ASN 8 4.301 3.871 -5.227 43 HA ASN 8 HA ASN 8 5.410 5.472 -6.401 44 HB2 ASN 8 1HB ASN 8 3.805 7.014 -5.292 45 HB3 ASN 8 2HB ASN 8 4.943 7.228 -3.969 46 HD21 ASN 8 1HD2 ASN 8 5.406 9.208 -7.481 47 HD22 ASN 8 2HD2 ASN 8 4.254 7.931 -7.306 48 H GLY 9 H GLY 9 6.622 3.978 -3.780 49 HA2 GLY 9 1HA GLY 9 9.085 3.598 -3.934 50 HA3 GLY 9 2HA GLY 9 9.240 5.349 -3.944 51 H GLU 10 H GLU 10 6.841 5.236 -1.966 52 HA GLU 10 HA GLU 10 8.440 5.013 0.458 53 HB2 GLU 10 1HB GLU 10 5.543 5.795 0.025 54 HB3 GLU 10 2HB GLU 10 6.365 5.830 1.576 55 HG2 GLU 10 1HG GLU 10 7.032 7.499 -0.842 56 HG3 GLU 10 2HG GLU 10 6.228 8.052 0.626 57 H THR 11 H THR 11 8.284 3.343 1.905 58 HA THR 11 HA THR 11 6.345 1.222 1.255 59 HB THR 11 HB THR 11 9.083 0.943 2.525 60 HG1 THR 11 1HG THR 11 8.312 1.045 -0.022 61 HG21 THR 11 1HG2 THR 11 7.512 -0.692 3.463 62 HG22 THR 11 2HG2 THR 11 8.671 -1.485 2.397 63 HG23 THR 11 3HG2 THR 11 7.029 -1.171 1.836 64 H TYR 12 H TYR 12 4.744 1.134 2.619 65 HA TYR 12 HA TYR 12 5.173 1.770 5.474 66 HB2 TYR 12 2HB TYR 12 2.609 1.928 3.849 67 HB3 TYR 12 1HB TYR 12 2.768 2.319 5.559 68 HD1 TYR 12 1HD TYR 12 4.404 4.226 6.176 69 HD2 TYR 12 2HD TYR 12 2.899 3.626 2.226 70 HE1 TYR 12 1HE TYR 12 4.942 6.555 5.619 71 HE2 TYR 12 2HE TYR 12 3.439 5.959 1.672 72 HH TYR 12 HH TYR 12 5.436 7.886 3.589 73 H THR 13 H THR 13 3.468 0.538 6.879 74 HA THR 13 HA THR 13 3.273 -2.234 5.870 75 HB THR 13 HB THR 13 3.296 -2.911 8.302 76 HG1 THR 13 1HG THR 13 2.996 -0.445 8.829 77 HG21 THR 13 1HG2 THR 13 5.747 -2.704 8.536 78 HG22 THR 13 2HG2 THR 13 5.764 -1.518 7.230 79 HG23 THR 13 3HG2 THR 13 5.283 -3.183 6.904 80 H VAL 14 H VAL 14 1.355 -3.200 5.885 81 HA VAL 14 HA VAL 14 -0.937 -1.838 7.143 82 HB VAL 14 HB VAL 14 -2.325 -2.625 5.211 83 HG11 VAL 14 1HG1 VAL 14 -0.050 -0.756 4.514 84 HG12 VAL 14 2HG1 VAL 14 -1.563 -0.312 5.305 85 HG13 VAL 14 3HG1 VAL 14 -1.574 -0.886 3.638 86 HG21 VAL 14 1HG2 VAL 14 -0.806 -4.424 4.460 87 HG22 VAL 14 2HG2 VAL 14 0.348 -3.201 3.921 88 HG23 VAL 14 3HG2 VAL 14 -1.233 -3.322 3.152 89 H SER 15 H SER 15 -2.827 -3.312 7.413 90 HA SER 15 HA SER 15 -1.877 -5.679 8.771 91 HB2 SER 15 1HB SER 15 -3.499 -4.129 9.838 92 HB3 SER 15 2HB SER 15 -4.688 -4.554 8.609 93 HG SER 15 HG SER 15 -3.967 -6.849 9.509 94 H SER 16 H SER 16 -3.135 -5.036 5.682 95 HA SER 16 HA SER 16 -3.170 -7.749 4.921 96 HB2 SER 16 1HB SER 16 -5.273 -7.847 6.192 97 HB3 SER 16 2HB SER 16 -5.908 -6.483 5.274 98 HG SER 16 HG SER 16 -6.079 -9.034 4.673 99 H SER 17 H SER 17 -4.251 -8.002 2.701 100 HA SER 17 HA SER 17 -3.162 -6.132 0.905 101 HB2 SER 17 1HB SER 17 -3.541 -8.466 0.273 102 HB3 SER 17 2HB SER 17 -5.282 -8.252 0.443 103 HG SER 17 HG SER 17 -5.067 -6.599 -1.239 104 H GLU 18 H GLU 18 -6.499 -6.650 2.031 105 HA GLU 18 HA GLU 18 -7.714 -4.672 0.452 106 HB2 GLU 18 1HB GLU 18 -9.554 -4.721 2.051 107 HB3 GLU 18 2HB GLU 18 -9.001 -6.354 1.718 108 HG2 GLU 18 1HG GLU 18 -7.826 -6.434 3.827 109 HG3 GLU 18 2HG GLU 18 -8.224 -4.748 4.150 110 H GLU 19 H GLU 19 -6.231 -4.549 3.646 111 HA GLU 19 HA GLU 19 -6.716 -1.849 4.248 112 HB2 GLU 19 1HB GLU 19 -5.897 -3.653 5.830 113 HB3 GLU 19 2HB GLU 19 -4.309 -3.491 5.092 114 HG2 GLU 19 1HG GLU 19 -4.403 -2.261 7.166 115 HG3 GLU 19 2HG GLU 19 -4.224 -1.146 5.811 116 H CYS 20 H CYS 20 -4.244 -3.482 2.403 117 HA CYS 20 HA CYS 20 -2.429 -1.358 2.067 118 HB2 CYS 20 2HB CYS 20 -2.029 -3.817 1.567 119 HB3 CYS 20 1HB CYS 20 -2.956 -3.591 0.088 120 H GLU 21 H GLU 21 -4.896 -2.632 -0.151 121 HA GLU 21 HA GLU 21 -4.588 -0.696 -2.140 122 HB2 GLU 21 1HB GLU 21 -7.023 -2.360 -1.438 123 HB3 GLU 21 2HB GLU 21 -6.779 -1.511 -2.963 124 HG2 GLU 21 1HG GLU 21 -4.908 -2.901 -3.523 125 HG3 GLU 21 2HG GLU 21 -4.918 -3.646 -1.928 126 H ARG 22 H ARG 22 -6.654 -0.772 0.739 127 HA ARG 22 HA ARG 22 -8.141 1.530 0.296 128 HB2 ARG 22 1HB ARG 22 -7.162 0.106 2.761 129 HB3 ARG 22 2HB ARG 22 -8.103 1.567 2.869 130 HG2 ARG 22 1HG ARG 22 -8.978 -1.010 1.597 131 HG3 ARG 22 2HG ARG 22 -9.523 -0.372 3.148 132 HD2 ARG 22 1HD ARG 22 -10.317 1.670 1.818 133 HD3 ARG 22 2HD ARG 22 -10.089 0.668 0.383 134 HE ARG 22 HE ARG 22 -11.842 -0.174 2.601 135 HH11 ARG 22 1HH1 ARG 22 -11.326 0.381 -0.826 136 HH12 ARG 22 2HH1 ARG 22 -12.910 -0.175 -1.270 137 HH21 ARG 22 1HH2 ARG 22 -13.896 -0.917 2.004 138 HH22 ARG 22 2HH2 ARG 22 -14.361 -0.913 0.330 139 H LEU 23 H LEU 23 -5.072 1.118 2.080 140 HA LEU 23 HA LEU 23 -4.715 3.830 2.726 141 HB2 LEU 23 1HB LEU 23 -3.518 2.015 3.861 142 HB3 LEU 23 2HB LEU 23 -2.647 1.647 2.385 143 HG LEU 23 HG LEU 23 -1.561 3.882 2.491 144 HD11 LEU 23 1HD1 LEU 23 -3.263 5.096 3.735 145 HD12 LEU 23 2HD1 LEU 23 -1.708 5.194 4.560 146 HD13 LEU 23 3HD1 LEU 23 -2.956 4.103 5.161 147 HD21 LEU 23 1HD2 LEU 23 -0.059 3.373 4.359 148 HD22 LEU 23 2HD2 LEU 23 -0.418 1.933 3.407 149 HD23 LEU 23 3HD2 LEU 23 -1.207 2.180 4.966 150 H CYS 24 H CYS 24 -3.434 1.904 0.033 151 HA CYS 24 HA CYS 24 -1.850 3.889 -1.130 152 HB2 CYS 24 2HB CYS 24 -3.270 1.552 -2.448 153 HB3 CYS 24 1HB CYS 24 -1.988 2.504 -3.196 154 H ARG 25 H ARG 25 -5.275 3.061 -1.704 155 HA ARG 25 HA ARG 25 -5.610 5.161 -3.641 156 HB2 ARG 25 1HB ARG 25 -7.649 3.476 -2.169 157 HB3 ARG 25 2HB ARG 25 -8.051 4.640 -3.427 158 HG2 ARG 25 1HG ARG 25 -6.564 3.349 -4.978 159 HG3 ARG 25 2HG ARG 25 -6.422 2.121 -3.718 160 HD2 ARG 25 1HD ARG 25 -8.140 1.517 -5.340 161 HD3 ARG 25 2HD ARG 25 -8.848 1.806 -3.750 162 HE ARG 25 HE ARG 25 -9.443 4.077 -4.641 163 HH11 ARG 25 1HH1 ARG 25 -8.976 1.385 -6.828 164 HH12 ARG 25 2HH1 ARG 25 -10.073 1.998 -8.026 165 HH21 ARG 25 1HH2 ARG 25 -10.869 4.909 -6.212 166 HH22 ARG 25 2HH2 ARG 25 -11.145 4.019 -7.679 167 H LYS 26 H LYS 26 -5.754 4.952 -0.198 168 HA LYS 26 HA LYS 26 -7.329 7.268 0.299 169 HB2 LYS 26 1HB LYS 26 -6.592 5.376 1.933 170 HB3 LYS 26 2HB LYS 26 -5.114 6.305 2.115 171 HG2 LYS 26 1HG LYS 26 -7.866 7.411 2.665 172 HG3 LYS 26 2HG LYS 26 -6.852 6.656 3.889 173 HD2 LYS 26 1HD LYS 26 -5.122 8.368 3.501 174 HD3 LYS 26 2HD LYS 26 -6.157 9.127 2.289 175 HE2 LYS 26 1HE LYS 26 -6.777 8.812 5.229 176 HE3 LYS 26 2HE LYS 26 -6.313 10.305 4.414 177 HZ1 LYS 26 1HZ LYS 26 -8.675 10.264 4.700 178 HZ2 LYS 26 2HZ LYS 26 -8.802 8.746 3.968 179 HZ3 LYS 26 3HZ LYS 26 -8.342 10.090 3.048 180 H LEU 27 H LEU 27 -3.834 6.690 0.047 181 HA LEU 27 HA LEU 27 -3.094 9.438 0.180 182 HB2 LEU 27 1HB LEU 27 -1.617 7.096 -1.046 183 HB3 LEU 27 2HB LEU 27 -0.918 8.671 -0.712 184 HG LEU 27 HG LEU 27 -1.936 6.704 1.352 185 HD11 LEU 27 1HD1 LEU 27 0.159 5.996 0.339 186 HD12 LEU 27 2HD1 LEU 27 0.424 6.525 2.001 187 HD13 LEU 27 3HD1 LEU 27 0.870 7.579 0.658 188 HD21 LEU 27 1HD2 LEU 27 -1.020 8.258 3.014 189 HD22 LEU 27 2HD2 LEU 27 -2.314 9.005 2.080 190 HD23 LEU 27 3HD2 LEU 27 -0.633 9.407 1.731 191 H GLY 28 H GLY 28 -4.028 7.237 -2.374 192 HA2 GLY 28 1HA GLY 28 -5.099 7.945 -4.363 193 HA3 GLY 28 2HA GLY 28 -4.339 9.521 -4.194 194 H VAL 29 H VAL 29 -2.464 6.647 -3.756 195 HA VAL 29 HA VAL 29 -0.989 7.263 -6.226 196 HB VAL 29 HB VAL 29 -0.098 5.643 -3.826 197 HG11 VAL 29 1HG1 VAL 29 2.139 5.768 -4.822 198 HG12 VAL 29 2HG1 VAL 29 1.473 6.617 -6.218 199 HG13 VAL 29 3HG1 VAL 29 1.005 4.947 -5.894 200 HG21 VAL 29 1HG2 VAL 29 1.330 7.559 -3.274 201 HG22 VAL 29 2HG2 VAL 29 -0.376 8.009 -3.260 202 HG23 VAL 29 3HG2 VAL 29 0.645 8.463 -4.624 203 H THR 30 H THR 30 -1.295 5.946 -7.896 204 HA THR 30 HA THR 30 -2.616 3.398 -7.591 205 HB THR 30 HB THR 30 -2.265 3.264 -10.113 206 HG1 THR 30 1HG THR 30 -0.816 4.633 -10.831 207 HG21 THR 30 1HG2 THR 30 -3.974 4.957 -10.603 208 HG22 THR 30 2HG2 THR 30 -3.699 5.697 -9.027 209 HG23 THR 30 3HG2 THR 30 -4.364 4.066 -9.130 210 H ASN 31 H ASN 31 0.623 4.598 -8.059 211 HA ASN 31 HA ASN 31 1.828 2.071 -8.665 212 HB2 ASN 31 1HB ASN 31 3.025 4.655 -7.611 213 HB3 ASN 31 2HB ASN 31 3.975 3.248 -8.072 214 HD21 ASN 31 1HD2 ASN 31 4.306 4.859 -11.151 215 HD22 ASN 31 2HD2 ASN 31 5.062 4.426 -9.657 216 H CYS 32 H CYS 32 0.647 0.892 -7.034 217 HA CYS 32 HA CYS 32 1.874 1.044 -4.342 218 HB2 CYS 32 2HB CYS 32 -0.401 1.777 -4.141 219 HB3 CYS 32 1HB CYS 32 -0.989 0.493 -5.185 220 H ARG 33 H ARG 33 2.950 -0.752 -3.817 221 HA ARG 33 HA ARG 33 2.451 -3.237 -5.339 222 HB2 ARG 33 1HB ARG 33 4.709 -1.952 -5.548 223 HB3 ARG 33 2HB ARG 33 5.031 -2.549 -3.929 224 HG2 ARG 33 1HG ARG 33 6.098 -4.023 -5.430 225 HG3 ARG 33 2HG ARG 33 4.677 -4.873 -4.819 226 HD2 ARG 33 1HD ARG 33 4.978 -5.172 -7.245 227 HD3 ARG 33 2HD ARG 33 3.460 -4.365 -6.853 228 HE ARG 33 HE ARG 33 5.179 -2.304 -7.312 229 HH11 ARG 33 1HH1 ARG 33 4.278 -5.142 -9.160 230 HH12 ARG 33 2HH1 ARG 33 4.488 -4.367 -10.698 231 HH21 ARG 33 1HH2 ARG 33 5.454 -1.275 -9.333 232 HH22 ARG 33 2HH2 ARG 33 5.139 -2.158 -10.797 233 H VAL 34 H VAL 34 2.352 -5.193 -4.151 234 HA VAL 34 HA VAL 34 1.890 -4.769 -1.263 235 HB VAL 34 HB VAL 34 0.578 -6.810 -3.076 236 HG11 VAL 34 1HG1 VAL 34 -0.905 -7.232 -1.151 237 HG12 VAL 34 2HG1 VAL 34 0.066 -6.128 -0.175 238 HG13 VAL 34 3HG1 VAL 34 0.778 -7.621 -0.788 239 HG21 VAL 34 1HG2 VAL 34 -0.177 -4.540 -3.583 240 HG22 VAL 34 2HG2 VAL 34 -0.545 -4.269 -1.879 241 HG23 VAL 34 3HG2 VAL 34 -1.460 -5.465 -2.800 242 H HIS 35 H HIS 35 3.298 -5.695 0.015 243 HA HIS 35 HA HIS 35 4.445 -8.334 -0.688 244 HB2 HIS 35 1HB HIS 35 5.485 -6.339 1.359 245 HB3 HIS 35 2HB HIS 35 6.238 -7.863 0.918 246 HD1 HIS 35 HD1 HIS 35 8.357 -7.251 -0.181 247 HD2 HIS 35 HD2 HIS 35 5.212 -4.850 -1.467 248 HE1 HIS 35 HE1 HIS 35 9.336 -5.727 -1.925 249 HE2 HIS 35 HE2 HIS 35 7.460 -4.172 -2.558 250 H CYS 36 H CYS 36 4.152 -9.992 0.868 251 HA CYS 36 HA CYS 36 2.908 -9.297 3.412 252 HB2 CYS 36 2HB CYS 36 1.600 -11.138 1.398 253 HB3 CYS 36 1HB CYS 36 1.155 -11.088 3.100 254 H GLY 37 H GLY 37 4.329 -10.127 4.762 255 HA2 GLY 37 1HA GLY 37 5.310 -11.860 5.974 256 HA3 GLY 37 2HA GLY 37 4.925 -12.975 4.670 Start of MODEL 17 1 H1 ALA 1 1H ALA 1 -1.687 -12.158 11.928 2 H2 ALA 1 2H ALA 1 -2.543 -11.336 10.725 3 H3 ALA 1 3H ALA 1 -1.650 -10.468 11.868 4 HA ALA 1 HA ALA 1 0.399 -11.319 11.022 5 HB1 ALA 1 1HB ALA 1 -1.324 -12.826 9.050 6 HB2 ALA 1 2HB ALA 1 -0.423 -13.534 10.390 7 HB3 ALA 1 3HB ALA 1 0.440 -12.774 9.051 8 HA PRO 2 HA PRO 2 -0.534 -7.756 8.405 9 HB2 PRO 2 2HB PRO 2 1.523 -6.239 9.116 10 HB3 PRO 2 1HB PRO 2 0.237 -6.594 10.278 11 HG2 PRO 2 2HG PRO 2 2.976 -7.783 10.058 12 HG3 PRO 2 1HG PRO 2 2.052 -7.356 11.511 13 HD2 PRO 2 2HD PRO 2 2.250 -9.920 10.368 14 HD3 PRO 2 1HD PRO 2 1.064 -9.407 11.583 15 H CYS 3 H CYS 3 0.635 -6.547 6.729 16 HA CYS 3 HA CYS 3 2.955 -7.898 5.559 17 HB2 CYS 3 2HB CYS 3 0.375 -7.255 4.101 18 HB3 CYS 3 1HB CYS 3 1.885 -7.638 3.285 19 H GLU 4 H GLU 4 3.424 -6.387 3.401 20 HA GLU 4 HA GLU 4 3.540 -3.636 4.454 21 HB2 GLU 4 1HB GLU 4 5.629 -3.346 3.278 22 HB3 GLU 4 2HB GLU 4 5.735 -4.794 4.267 23 HG2 GLU 4 1HG GLU 4 5.233 -6.144 2.253 24 HG3 GLU 4 2HG GLU 4 5.300 -4.669 1.295 25 H CYS 5 H CYS 5 3.763 -1.986 2.701 26 HA CYS 5 HA CYS 5 2.333 -2.616 0.235 27 HB2 CYS 5 2HB CYS 5 0.574 -1.999 1.860 28 HB3 CYS 5 1HB CYS 5 1.422 -0.500 2.220 29 H ASP 6 H ASP 6 3.158 -1.447 -1.439 30 HA ASP 6 HA ASP 6 5.170 0.603 -0.758 31 HB2 ASP 6 1HB ASP 6 6.197 -1.395 -1.720 32 HB3 ASP 6 2HB ASP 6 5.110 -1.313 -3.106 33 H VAL 7 H VAL 7 4.310 2.487 -1.096 34 HA VAL 7 HA VAL 7 2.638 3.002 -3.444 35 HB VAL 7 HB VAL 7 1.867 4.987 -1.991 36 HG11 VAL 7 1HG1 VAL 7 1.158 2.179 -1.147 37 HG12 VAL 7 2HG1 VAL 7 0.430 3.081 -2.476 38 HG13 VAL 7 3HG1 VAL 7 0.198 3.624 -0.814 39 HG21 VAL 7 1HG2 VAL 7 3.630 4.880 -0.313 40 HG22 VAL 7 2HG2 VAL 7 3.073 3.281 0.182 41 HG23 VAL 7 3HG2 VAL 7 2.044 4.693 0.427 42 H ASN 8 H ASN 8 3.921 3.884 -4.965 43 HA ASN 8 HA ASN 8 5.168 5.437 -6.074 44 HB2 ASN 8 1HB ASN 8 3.607 7.021 -4.904 45 HB3 ASN 8 2HB ASN 8 4.784 7.173 -3.608 46 HD21 ASN 8 1HD2 ASN 8 5.278 9.154 -7.122 47 HD22 ASN 8 2HD2 ASN 8 4.058 7.945 -6.928 48 H GLY 9 H GLY 9 6.417 3.493 -4.158 49 HA2 GLY 9 1HA GLY 9 8.739 3.013 -4.057 50 HA3 GLY 9 2HA GLY 9 9.082 4.737 -4.145 51 H GLU 10 H GLU 10 6.757 4.912 -2.072 52 HA GLU 10 HA GLU 10 8.406 4.674 0.305 53 HB2 GLU 10 1HB GLU 10 5.534 5.561 -0.105 54 HB3 GLU 10 2HB GLU 10 6.357 5.566 1.448 55 HG2 GLU 10 1HG GLU 10 7.302 7.133 -0.943 56 HG3 GLU 10 2HG GLU 10 6.232 7.783 0.300 57 H THR 11 H THR 11 8.351 2.931 1.649 58 HA THR 11 HA THR 11 6.262 0.915 1.123 59 HB THR 11 HB THR 11 9.048 0.436 2.213 60 HG1 THR 11 1HG THR 11 8.040 0.609 -0.366 61 HG21 THR 11 1HG2 THR 11 7.415 -1.233 2.970 62 HG22 THR 11 2HG2 THR 11 8.535 -1.939 1.805 63 HG23 THR 11 3HG2 THR 11 6.904 -1.498 1.303 64 H TYR 12 H TYR 12 4.786 0.949 2.629 65 HA TYR 12 HA TYR 12 5.532 1.430 5.443 66 HB2 TYR 12 2HB TYR 12 2.843 1.889 4.109 67 HB3 TYR 12 1HB TYR 12 3.247 2.260 5.782 68 HD1 TYR 12 1HD TYR 12 5.364 3.877 6.035 69 HD2 TYR 12 2HD TYR 12 2.872 3.655 2.577 70 HE1 TYR 12 1HE TYR 12 6.060 6.146 5.389 71 HE2 TYR 12 2HE TYR 12 3.571 5.916 1.928 72 HH TYR 12 HH TYR 12 6.203 7.474 3.184 73 H THR 13 H THR 13 3.786 0.358 6.939 74 HA THR 13 HA THR 13 3.380 -2.396 5.955 75 HB THR 13 HB THR 13 3.355 -2.932 8.499 76 HG1 THR 13 1HG THR 13 3.628 -0.393 8.749 77 HG21 THR 13 1HG2 THR 13 5.095 -3.704 6.961 78 HG22 THR 13 2HG2 THR 13 5.792 -3.232 8.509 79 HG23 THR 13 3HG2 THR 13 5.932 -2.160 7.115 80 H VAL 14 H VAL 14 1.435 -3.303 6.090 81 HA VAL 14 HA VAL 14 -0.768 -1.808 7.344 82 HB VAL 14 HB VAL 14 -2.205 -2.372 5.392 83 HG11 VAL 14 1HG1 VAL 14 -1.325 -0.662 3.866 84 HG12 VAL 14 2HG1 VAL 14 0.228 -0.722 4.698 85 HG13 VAL 14 3HG1 VAL 14 -1.205 -0.147 5.550 86 HG21 VAL 14 1HG2 VAL 14 -0.953 -4.291 4.543 87 HG22 VAL 14 2HG2 VAL 14 0.390 -3.238 4.095 88 HG23 VAL 14 3HG2 VAL 14 -1.166 -3.080 3.279 89 H SER 15 H SER 15 -2.778 -3.210 7.484 90 HA SER 15 HA SER 15 -2.127 -5.574 8.894 91 HB2 SER 15 1HB SER 15 -4.106 -4.177 9.408 92 HB3 SER 15 2HB SER 15 -4.836 -4.663 7.876 93 HG SER 15 HG SER 15 -4.007 -6.553 9.818 94 H SER 16 H SER 16 -3.378 -5.000 5.635 95 HA SER 16 HA SER 16 -2.582 -7.615 4.770 96 HB2 SER 16 1HB SER 16 -4.750 -8.099 5.927 97 HB3 SER 16 2HB SER 16 -5.557 -6.994 4.816 98 HG SER 16 HG SER 16 -5.379 -9.450 4.405 99 H SER 17 H SER 17 -3.568 -7.958 2.432 100 HA SER 17 HA SER 17 -2.515 -5.968 0.792 101 HB2 SER 17 1HB SER 17 -3.730 -7.189 -1.057 102 HB3 SER 17 2HB SER 17 -2.739 -8.225 -0.026 103 HG SER 17 HG SER 17 -5.435 -8.244 -0.438 104 H GLU 18 H GLU 18 -5.857 -6.595 1.759 105 HA GLU 18 HA GLU 18 -7.089 -4.633 0.164 106 HB2 GLU 18 1HB GLU 18 -8.007 -5.649 2.864 107 HB3 GLU 18 2HB GLU 18 -9.011 -4.901 1.627 108 HG2 GLU 18 1HG GLU 18 -8.474 -6.808 0.119 109 HG3 GLU 18 2HG GLU 18 -7.619 -7.572 1.458 110 H GLU 19 H GLU 19 -5.701 -4.531 3.403 111 HA GLU 19 HA GLU 19 -6.391 -1.895 4.077 112 HB2 GLU 19 1HB GLU 19 -5.363 -3.685 5.587 113 HB3 GLU 19 2HB GLU 19 -3.813 -3.278 4.863 114 HG2 GLU 19 1HG GLU 19 -3.923 -2.100 6.901 115 HG3 GLU 19 2HG GLU 19 -4.207 -0.906 5.636 116 H CYS 20 H CYS 20 -3.631 -3.251 2.311 117 HA CYS 20 HA CYS 20 -2.259 -0.838 1.818 118 HB2 CYS 20 2HB CYS 20 -1.153 -2.929 1.382 119 HB3 CYS 20 1HB CYS 20 -2.386 -3.404 0.223 120 H GLU 21 H GLU 21 -4.907 -2.432 0.064 121 HA GLU 21 HA GLU 21 -5.068 -0.700 -2.128 122 HB2 GLU 21 1HB GLU 21 -7.309 -2.132 -0.676 123 HB3 GLU 21 2HB GLU 21 -7.474 -1.355 -2.244 124 HG2 GLU 21 1HG GLU 21 -5.758 -2.912 -3.140 125 HG3 GLU 21 2HG GLU 21 -5.756 -3.739 -1.581 126 H ARG 22 H ARG 22 -6.681 -0.539 1.036 127 HA ARG 22 HA ARG 22 -8.118 1.788 0.689 128 HB2 ARG 22 1HB ARG 22 -6.832 0.627 3.166 129 HB3 ARG 22 2HB ARG 22 -8.063 1.860 3.151 130 HG2 ARG 22 1HG ARG 22 -9.651 0.328 2.140 131 HG3 ARG 22 2HG ARG 22 -8.407 -0.924 2.090 132 HD2 ARG 22 1HD ARG 22 -8.257 -0.844 4.549 133 HD3 ARG 22 2HD ARG 22 -9.538 0.370 4.574 134 HE ARG 22 HE ARG 22 -10.319 -2.008 3.194 135 HH11 ARG 22 1HH1 ARG 22 -9.970 -0.585 6.382 136 HH12 ARG 22 2HH1 ARG 22 -11.193 -1.590 7.095 137 HH21 ARG 22 1HH2 ARG 22 -11.893 -3.357 4.144 138 HH22 ARG 22 2HH2 ARG 22 -12.256 -3.190 5.835 139 H LEU 23 H LEU 23 -4.830 1.306 1.942 140 HA LEU 23 HA LEU 23 -4.219 3.985 2.507 141 HB2 LEU 23 1HB LEU 23 -2.876 2.031 3.242 142 HB3 LEU 23 2HB LEU 23 -2.357 1.776 1.586 143 HG LEU 23 HG LEU 23 -1.255 4.020 1.638 144 HD11 LEU 23 1HD1 LEU 23 -0.874 5.096 3.803 145 HD12 LEU 23 2HD1 LEU 23 -1.950 3.929 4.572 146 HD13 LEU 23 3HD1 LEU 23 -2.586 5.065 3.383 147 HD21 LEU 23 1HD2 LEU 23 0.038 1.986 2.031 148 HD22 LEU 23 2HD2 LEU 23 -0.338 2.061 3.752 149 HD23 LEU 23 3HD2 LEU 23 0.649 3.320 3.010 150 H CYS 24 H CYS 24 -3.714 2.053 -0.418 151 HA CYS 24 HA CYS 24 -2.398 3.922 -2.003 152 HB2 CYS 24 2HB CYS 24 -2.636 1.539 -2.590 153 HB3 CYS 24 1HB CYS 24 -4.353 1.774 -2.873 154 H ARG 25 H ARG 25 -5.866 3.313 -1.650 155 HA ARG 25 HA ARG 25 -6.723 5.279 -3.515 156 HB2 ARG 25 1HB ARG 25 -8.249 4.079 -1.184 157 HB3 ARG 25 2HB ARG 25 -8.958 4.949 -2.535 158 HG2 ARG 25 1HG ARG 25 -7.484 2.323 -2.723 159 HG3 ARG 25 2HG ARG 25 -9.236 2.526 -2.754 160 HD2 ARG 25 1HD ARG 25 -9.058 3.826 -4.816 161 HD3 ARG 25 2HD ARG 25 -7.300 3.680 -4.768 162 HE ARG 25 HE ARG 25 -8.350 1.098 -4.710 163 HH11 ARG 25 1HH1 ARG 25 -8.272 3.814 -6.936 164 HH12 ARG 25 2HH1 ARG 25 -8.322 2.806 -8.347 165 HH21 ARG 25 1HH2 ARG 25 -8.428 -0.207 -6.560 166 HH22 ARG 25 2HH2 ARG 25 -8.414 0.524 -8.139 167 H LYS 26 H LYS 26 -6.458 5.245 0.008 168 HA LYS 26 HA LYS 26 -7.556 7.742 0.568 169 HB2 LYS 26 1HB LYS 26 -7.111 5.980 2.243 170 HB3 LYS 26 2HB LYS 26 -5.384 6.250 2.071 171 HG2 LYS 26 1HG LYS 26 -5.623 8.501 2.975 172 HG3 LYS 26 2HG LYS 26 -7.372 8.279 3.096 173 HD2 LYS 26 1HD LYS 26 -7.016 6.414 4.668 174 HD3 LYS 26 2HD LYS 26 -5.272 6.666 4.559 175 HE2 LYS 26 1HE LYS 26 -5.525 8.905 5.503 176 HE3 LYS 26 2HE LYS 26 -7.276 8.690 5.572 177 HZ1 LYS 26 1HZ LYS 26 -5.283 7.051 7.053 178 HZ2 LYS 26 2HZ LYS 26 -6.964 6.883 7.137 179 HZ3 LYS 26 3HZ LYS 26 -6.228 8.289 7.719 180 H LEU 27 H LEU 27 -4.296 6.819 -0.355 181 HA LEU 27 HA LEU 27 -3.321 9.552 -0.085 182 HB2 LEU 27 1HB LEU 27 -1.914 7.055 -1.052 183 HB3 LEU 27 2HB LEU 27 -1.151 8.605 -0.745 184 HG LEU 27 HG LEU 27 -2.422 6.798 1.322 185 HD11 LEU 27 1HD1 LEU 27 0.462 7.554 0.851 186 HD12 LEU 27 2HD1 LEU 27 -0.272 5.984 0.529 187 HD13 LEU 27 3HD1 LEU 27 -0.144 6.572 2.186 188 HD21 LEU 27 1HD2 LEU 27 -1.578 8.405 2.979 189 HD22 LEU 27 2HD2 LEU 27 -2.793 9.124 1.925 190 HD23 LEU 27 3HD2 LEU 27 -1.084 9.484 1.674 191 H GLY 28 H GLY 28 -4.552 7.427 -2.520 192 HA2 GLY 28 1HA GLY 28 -5.129 7.872 -4.707 193 HA3 GLY 28 2HA GLY 28 -4.578 9.525 -4.470 194 H VAL 29 H VAL 29 -2.749 6.533 -4.054 195 HA VAL 29 HA VAL 29 -0.584 7.641 -5.643 196 HB VAL 29 HB VAL 29 -0.767 4.981 -4.204 197 HG11 VAL 29 1HG1 VAL 29 0.924 4.974 -5.978 198 HG12 VAL 29 2HG1 VAL 29 1.675 4.936 -4.384 199 HG13 VAL 29 3HG1 VAL 29 1.642 6.437 -5.306 200 HG21 VAL 29 1HG2 VAL 29 -0.982 6.851 -2.658 201 HG22 VAL 29 2HG2 VAL 29 0.475 7.591 -3.321 202 HG23 VAL 29 3HG2 VAL 29 0.579 6.058 -2.453 203 H THR 30 H THR 30 0.270 6.733 -7.522 204 HA THR 30 HA THR 30 -1.570 5.296 -9.208 205 HB THR 30 HB THR 30 0.348 5.447 -10.869 206 HG1 THR 30 1HG THR 30 2.006 7.006 -10.169 207 HG21 THR 30 1HG2 THR 30 -0.585 8.031 -9.595 208 HG22 THR 30 2HG2 THR 30 -1.445 7.120 -10.836 209 HG23 THR 30 3HG2 THR 30 0.105 7.874 -11.209 210 H ASN 31 H ASN 31 1.743 4.686 -8.050 211 HA ASN 31 HA ASN 31 1.422 1.827 -8.616 212 HB2 ASN 31 1HB ASN 31 3.450 2.835 -9.511 213 HB3 ASN 31 2HB ASN 31 3.886 3.454 -7.921 214 HD21 ASN 31 1HD2 ASN 31 5.960 0.637 -7.699 215 HD22 ASN 31 2HD2 ASN 31 5.860 2.353 -7.894 216 H CYS 32 H CYS 32 0.396 0.861 -6.972 217 HA CYS 32 HA CYS 32 1.707 0.972 -4.336 218 HB2 CYS 32 2HB CYS 32 -0.627 0.536 -3.370 219 HB3 CYS 32 1HB CYS 32 -0.294 2.168 -3.939 220 H ARG 33 H ARG 33 2.496 -0.972 -3.841 221 HA ARG 33 HA ARG 33 1.230 -3.371 -5.020 222 HB2 ARG 33 1HB ARG 33 3.660 -2.410 -5.775 223 HB3 ARG 33 2HB ARG 33 4.148 -3.454 -4.449 224 HG2 ARG 33 1HG ARG 33 4.292 -4.687 -6.497 225 HG3 ARG 33 2HG ARG 33 2.949 -5.335 -5.553 226 HD2 ARG 33 1HD ARG 33 2.413 -5.076 -7.961 227 HD3 ARG 33 2HD ARG 33 1.351 -4.139 -6.911 228 HE ARG 33 HE ARG 33 3.399 -2.430 -7.632 229 HH11 ARG 33 1HH1 ARG 33 0.952 -4.271 -9.338 230 HH12 ARG 33 2HH1 ARG 33 0.789 -3.105 -10.615 231 HH21 ARG 33 1HH2 ARG 33 3.181 -0.901 -9.323 232 HH22 ARG 33 2HH2 ARG 33 2.063 -1.208 -10.616 233 H VAL 34 H VAL 34 1.960 -5.425 -3.805 234 HA VAL 34 HA VAL 34 2.095 -4.873 -0.905 235 HB VAL 34 HB VAL 34 0.593 -6.760 -0.482 236 HG11 VAL 34 1HG1 VAL 34 -0.393 -4.535 -0.692 237 HG12 VAL 34 2HG1 VAL 34 -1.503 -5.767 -1.295 238 HG13 VAL 34 3HG1 VAL 34 -0.588 -4.772 -2.429 239 HG21 VAL 34 1HG2 VAL 34 -0.617 -7.871 -2.308 240 HG22 VAL 34 2HG2 VAL 34 1.124 -8.119 -2.451 241 HG23 VAL 34 3HG2 VAL 34 0.313 -6.947 -3.490 242 H HIS 35 H HIS 35 3.077 -6.489 0.399 243 HA HIS 35 HA HIS 35 4.203 -8.876 -0.763 244 HB2 HIS 35 1HB HIS 35 5.897 -7.226 -1.445 245 HB3 HIS 35 2HB HIS 35 6.042 -6.661 0.211 246 HD1 HIS 35 HD1 HIS 35 7.934 -7.638 1.475 247 HD2 HIS 35 HD2 HIS 35 6.727 -10.097 -1.656 248 HE1 HIS 35 HE1 HIS 35 9.568 -9.544 1.443 249 HE2 HIS 35 HE2 HIS 35 8.801 -11.038 -0.431 250 H CYS 36 H CYS 36 4.912 -10.353 0.904 251 HA CYS 36 HA CYS 36 4.420 -9.466 3.673 252 HB2 CYS 36 2HB CYS 36 3.355 -12.045 2.495 253 HB3 CYS 36 1HB CYS 36 3.099 -11.456 4.134 254 H GLY 37 H GLY 37 6.255 -9.817 4.770 255 HA2 GLY 37 1HA GLY 37 7.994 -12.059 3.975 256 HA3 GLY 37 2HA GLY 37 8.487 -10.655 4.912 Start of MODEL 18 1 H1 ALA 1 1H ALA 1 -1.094 -12.183 9.591 2 H2 ALA 1 2H ALA 1 -1.410 -10.852 8.601 3 H3 ALA 1 3H ALA 1 -1.187 -10.635 10.266 4 HA ALA 1 HA ALA 1 1.096 -11.332 10.102 5 HB1 ALA 1 1HB ALA 1 2.116 -11.739 7.920 6 HB2 ALA 1 2HB ALA 1 0.556 -11.503 7.133 7 HB3 ALA 1 3HB ALA 1 0.798 -12.876 8.213 8 HA PRO 2 HA PRO 2 1.684 -6.938 9.454 9 HB2 PRO 2 2HB PRO 2 4.263 -6.724 10.123 10 HB3 PRO 2 1HB PRO 2 3.066 -7.207 11.336 11 HG2 PRO 2 2HG PRO 2 4.885 -8.949 9.690 12 HG3 PRO 2 1HG PRO 2 4.631 -8.969 11.447 13 HD2 PRO 2 2HD PRO 2 3.357 -10.684 9.779 14 HD3 PRO 2 1HD PRO 2 2.599 -10.070 11.266 15 H CYS 3 H CYS 3 1.334 -7.807 7.117 16 HA CYS 3 HA CYS 3 3.488 -8.284 5.373 17 HB2 CYS 3 2HB CYS 3 0.688 -7.311 4.747 18 HB3 CYS 3 1HB CYS 3 1.808 -8.045 3.600 19 H GLU 4 H GLU 4 3.708 -6.839 3.294 20 HA GLU 4 HA GLU 4 4.427 -4.169 4.339 21 HB2 GLU 4 1HB GLU 4 6.282 -4.252 2.620 22 HB3 GLU 4 2HB GLU 4 6.429 -5.367 3.959 23 HG2 GLU 4 1HG GLU 4 5.121 -6.393 1.510 24 HG3 GLU 4 2HG GLU 4 6.853 -6.089 1.435 25 H CYS 5 H CYS 5 4.322 -2.395 3.019 26 HA CYS 5 HA CYS 5 2.730 -2.620 0.549 27 HB2 CYS 5 2HB CYS 5 1.319 -1.880 2.466 28 HB3 CYS 5 1HB CYS 5 2.416 -0.533 2.735 29 H ASP 6 H ASP 6 3.220 -1.004 -1.028 30 HA ASP 6 HA ASP 6 5.730 0.480 -0.618 31 HB2 ASP 6 1HB ASP 6 6.407 -1.670 -1.533 32 HB3 ASP 6 2HB ASP 6 5.205 -1.550 -2.806 33 H VAL 7 H VAL 7 4.922 2.481 -0.919 34 HA VAL 7 HA VAL 7 3.232 3.009 -3.276 35 HB VAL 7 HB VAL 7 3.357 4.623 -0.711 36 HG11 VAL 7 1HG1 VAL 7 2.718 5.945 -2.649 37 HG12 VAL 7 2HG1 VAL 7 1.333 5.711 -1.583 38 HG13 VAL 7 3HG1 VAL 7 1.472 4.767 -3.066 39 HG21 VAL 7 1HG2 VAL 7 1.138 3.676 -0.203 40 HG22 VAL 7 2HG2 VAL 7 2.392 2.437 -0.250 41 HG23 VAL 7 3HG2 VAL 7 1.279 2.617 -1.607 42 H ASN 8 H ASN 8 4.314 3.993 -4.838 43 HA ASN 8 HA ASN 8 5.767 5.303 -5.994 44 HB2 ASN 8 1HB ASN 8 5.493 6.970 -3.486 45 HB3 ASN 8 2HB ASN 8 6.437 7.503 -4.871 46 HD21 ASN 8 1HD2 ASN 8 2.863 8.736 -4.909 47 HD22 ASN 8 2HD2 ASN 8 4.039 8.639 -3.644 48 H GLY 9 H GLY 9 6.765 3.191 -4.088 49 HA2 GLY 9 1HA GLY 9 8.954 2.316 -3.998 50 HA3 GLY 9 2HA GLY 9 9.596 3.929 -4.271 51 H GLU 10 H GLU 10 7.468 4.687 -2.099 52 HA GLU 10 HA GLU 10 9.276 4.476 0.148 53 HB2 GLU 10 1HB GLU 10 6.472 5.630 0.021 54 HB3 GLU 10 2HB GLU 10 7.623 5.842 1.335 55 HG2 GLU 10 1HG GLU 10 7.890 6.891 -1.479 56 HG3 GLU 10 2HG GLU 10 7.545 7.831 -0.029 57 H THR 11 H THR 11 8.530 3.596 2.248 58 HA THR 11 HA THR 11 7.088 1.076 1.704 59 HB THR 11 HB THR 11 9.263 1.513 3.769 60 HG1 THR 11 1HG THR 11 9.366 0.822 1.044 61 HG21 THR 11 1HG2 THR 11 8.043 -1.025 2.647 62 HG22 THR 11 2HG2 THR 11 7.747 -0.363 4.255 63 HG23 THR 11 3HG2 THR 11 9.354 -0.940 3.820 64 H TYR 12 H TYR 12 5.299 0.754 2.762 65 HA TYR 12 HA TYR 12 4.954 1.848 5.485 66 HB2 TYR 12 2HB TYR 12 2.823 1.424 3.360 67 HB3 TYR 12 1HB TYR 12 2.502 1.895 5.022 68 HD1 TYR 12 1HD TYR 12 2.816 4.169 5.751 69 HD2 TYR 12 2HD TYR 12 3.882 3.019 1.790 70 HE1 TYR 12 1HE TYR 12 2.993 6.537 5.117 71 HE2 TYR 12 2HE TYR 12 4.065 5.385 1.148 72 HH TYR 12 HH TYR 12 4.076 7.919 3.451 73 H THR 13 H THR 13 3.850 0.419 6.951 74 HA THR 13 HA THR 13 3.765 -2.382 6.038 75 HB THR 13 HB THR 13 3.835 -2.575 8.772 76 HG1 THR 13 1HG THR 13 4.783 -0.882 9.610 77 HG21 THR 13 1HG2 THR 13 6.203 -3.200 8.504 78 HG22 THR 13 2HG2 THR 13 6.210 -2.470 6.898 79 HG23 THR 13 3HG2 THR 13 5.200 -3.882 7.224 80 H VAL 14 H VAL 14 2.000 -3.603 6.476 81 HA VAL 14 HA VAL 14 -0.299 -2.392 7.834 82 HB VAL 14 HB VAL 14 -1.808 -3.045 5.948 83 HG11 VAL 14 1HG1 VAL 14 -1.290 -1.121 4.506 84 HG12 VAL 14 2HG1 VAL 14 0.311 -1.004 5.238 85 HG13 VAL 14 3HG1 VAL 14 -1.129 -0.715 6.214 86 HG21 VAL 14 1HG2 VAL 14 -0.841 -3.444 3.722 87 HG22 VAL 14 2HG2 VAL 14 -0.352 -4.692 4.870 88 HG23 VAL 14 3HG2 VAL 14 0.780 -3.415 4.417 89 H SER 15 H SER 15 -2.092 -4.013 8.067 90 HA SER 15 HA SER 15 -0.947 -6.603 8.747 91 HB2 SER 15 1HB SER 15 -2.402 -5.333 10.361 92 HB3 SER 15 2HB SER 15 -3.752 -5.567 9.253 93 HG SER 15 HG SER 15 -2.770 -7.947 9.574 94 H SER 16 H SER 16 -2.841 -5.130 6.270 95 HA SER 16 HA SER 16 -3.220 -7.739 5.013 96 HB2 SER 16 1HB SER 16 -5.537 -5.809 5.324 97 HB3 SER 16 2HB SER 16 -5.583 -7.423 4.613 98 HG SER 16 HG SER 16 -5.372 -6.651 7.305 99 H SER 17 H SER 17 -3.362 -7.729 2.825 100 HA SER 17 HA SER 17 -2.133 -5.788 1.296 101 HB2 SER 17 1HB SER 17 -3.359 -6.965 -0.632 102 HB3 SER 17 2HB SER 17 -2.371 -7.991 0.412 103 HG SER 17 HG SER 17 -4.469 -8.868 0.027 104 H GLU 18 H GLU 18 -5.608 -6.434 1.602 105 HA GLU 18 HA GLU 18 -6.573 -4.323 0.096 106 HB2 GLU 18 1HB GLU 18 -8.658 -4.556 1.476 107 HB3 GLU 18 2HB GLU 18 -8.060 -6.050 0.767 108 HG2 GLU 18 1HG GLU 18 -7.010 -6.610 2.944 109 HG3 GLU 18 2HG GLU 18 -7.761 -5.168 3.631 110 H GLU 19 H GLU 19 -5.485 -4.315 3.454 111 HA GLU 19 HA GLU 19 -6.357 -1.722 4.138 112 HB2 GLU 19 1HB GLU 19 -3.957 -3.300 5.092 113 HB3 GLU 19 2HB GLU 19 -4.455 -1.767 5.791 114 HG2 GLU 19 1HG GLU 19 -6.540 -2.724 6.526 115 HG3 GLU 19 2HG GLU 19 -6.173 -4.240 5.700 116 H CYS 20 H CYS 20 -3.212 -2.893 2.925 117 HA CYS 20 HA CYS 20 -1.986 -0.418 2.493 118 HB2 CYS 20 2HB CYS 20 -0.625 -2.324 2.201 119 HB3 CYS 20 1HB CYS 20 -1.738 -3.058 1.057 120 H GLU 21 H GLU 21 -3.966 -2.288 0.205 121 HA GLU 21 HA GLU 21 -3.848 -0.492 -1.936 122 HB2 GLU 21 1HB GLU 21 -6.095 -2.411 -1.263 123 HB3 GLU 21 2HB GLU 21 -5.767 -1.704 -2.843 124 HG2 GLU 21 1HG GLU 21 -3.627 -2.885 -2.935 125 HG3 GLU 21 2HG GLU 21 -3.942 -3.586 -1.350 126 H ARG 22 H ARG 22 -6.049 -0.688 0.803 127 HA ARG 22 HA ARG 22 -7.959 1.174 -0.123 128 HB2 ARG 22 1HB ARG 22 -8.378 -0.413 1.735 129 HB3 ARG 22 2HB ARG 22 -7.223 0.457 2.732 130 HG2 ARG 22 1HG ARG 22 -9.506 1.037 3.331 131 HG3 ARG 22 2HG ARG 22 -8.656 2.440 2.681 132 HD2 ARG 22 1HD ARG 22 -10.997 2.190 1.857 133 HD3 ARG 22 2HD ARG 22 -9.789 2.231 0.575 134 HE ARG 22 HE ARG 22 -10.149 -0.430 1.108 135 HH11 ARG 22 1HH1 ARG 22 -12.324 2.189 0.254 136 HH12 ARG 22 2HH1 ARG 22 -13.366 1.176 -0.696 137 HH21 ARG 22 1HH2 ARG 22 -11.512 -1.762 -0.116 138 HH22 ARG 22 2HH2 ARG 22 -12.903 -1.088 -0.906 139 H LEU 23 H LEU 23 -5.117 1.498 1.964 140 HA LEU 23 HA LEU 23 -5.290 4.241 2.489 141 HB2 LEU 23 1HB LEU 23 -3.746 2.738 3.665 142 HB3 LEU 23 2HB LEU 23 -2.833 2.497 2.188 143 HG LEU 23 HG LEU 23 -2.220 4.912 2.207 144 HD11 LEU 23 1HD1 LEU 23 -4.123 5.755 3.483 145 HD12 LEU 23 2HD1 LEU 23 -2.597 6.231 4.218 146 HD13 LEU 23 3HD1 LEU 23 -3.541 4.920 4.926 147 HD21 LEU 23 1HD2 LEU 23 -0.686 3.263 3.122 148 HD22 LEU 23 2HD2 LEU 23 -1.483 3.354 4.692 149 HD23 LEU 23 3HD2 LEU 23 -0.611 4.751 4.060 150 H CYS 24 H CYS 24 -3.546 2.508 -0.079 151 HA CYS 24 HA CYS 24 -2.492 4.746 -1.380 152 HB2 CYS 24 2HB CYS 24 -3.238 2.064 -2.570 153 HB3 CYS 24 1HB CYS 24 -2.131 3.238 -3.280 154 H ARG 25 H ARG 25 -5.562 3.017 -1.913 155 HA ARG 25 HA ARG 25 -6.288 4.564 -4.192 156 HB2 ARG 25 1HB ARG 25 -8.246 3.314 -4.271 157 HB3 ARG 25 2HB ARG 25 -7.159 2.222 -3.434 158 HG2 ARG 25 1HG ARG 25 -9.075 1.992 -2.199 159 HG3 ARG 25 2HG ARG 25 -8.224 3.232 -1.279 160 HD2 ARG 25 1HD ARG 25 -10.626 3.743 -1.582 161 HD3 ARG 25 2HD ARG 25 -9.580 4.972 -2.289 162 HE ARG 25 HE ARG 25 -10.994 2.891 -3.848 163 HH11 ARG 25 1HH1 ARG 25 -9.651 6.116 -3.572 164 HH12 ARG 25 2HH1 ARG 25 -10.292 6.656 -5.084 165 HH21 ARG 25 1HH2 ARG 25 -11.832 3.602 -5.856 166 HH22 ARG 25 2HH2 ARG 25 -11.543 5.231 -6.382 167 H LYS 26 H LYS 26 -6.742 4.888 -0.751 168 HA LYS 26 HA LYS 26 -8.655 6.980 -0.807 169 HB2 LYS 26 1HB LYS 26 -8.244 5.772 1.255 170 HB3 LYS 26 2HB LYS 26 -6.558 6.269 1.261 171 HG2 LYS 26 1HG LYS 26 -7.860 7.545 2.876 172 HG3 LYS 26 2HG LYS 26 -7.216 8.590 1.607 173 HD2 LYS 26 1HD LYS 26 -9.447 8.417 0.457 174 HD3 LYS 26 2HD LYS 26 -10.049 7.570 1.884 175 HE2 LYS 26 1HE LYS 26 -8.913 10.368 1.827 176 HE3 LYS 26 2HE LYS 26 -10.620 9.947 1.950 177 HZ1 LYS 26 1HZ LYS 26 -8.531 9.260 3.942 178 HZ2 LYS 26 2HZ LYS 26 -10.173 8.887 4.066 179 HZ3 LYS 26 3HZ LYS 26 -9.668 10.496 4.102 180 H LEU 27 H LEU 27 -5.112 7.030 -0.471 181 HA LEU 27 HA LEU 27 -4.783 9.820 -0.586 182 HB2 LEU 27 1HB LEU 27 -2.869 7.675 -1.540 183 HB3 LEU 27 2HB LEU 27 -2.448 9.334 -1.165 184 HG LEU 27 HG LEU 27 -3.406 7.260 0.819 185 HD11 LEU 27 1HD1 LEU 27 -0.680 8.493 0.408 186 HD12 LEU 27 2HD1 LEU 27 -1.138 6.824 0.064 187 HD13 LEU 27 3HD1 LEU 27 -1.131 7.411 1.726 188 HD21 LEU 27 1HD2 LEU 27 -4.167 9.489 1.439 189 HD22 LEU 27 2HD2 LEU 27 -2.527 10.115 1.257 190 HD23 LEU 27 3HD2 LEU 27 -2.890 8.942 2.524 191 H GLY 28 H GLY 28 -5.193 7.381 -3.050 192 HA2 GLY 28 1HA GLY 28 -5.933 7.711 -5.236 193 HA3 GLY 28 2HA GLY 28 -5.605 9.433 -5.075 194 H VAL 29 H VAL 29 -3.386 6.790 -4.371 195 HA VAL 29 HA VAL 29 -1.553 7.864 -6.413 196 HB VAL 29 HB VAL 29 -0.909 6.153 -3.993 197 HG11 VAL 29 1HG1 VAL 29 0.654 5.757 -5.815 198 HG12 VAL 29 2HG1 VAL 29 1.439 6.662 -4.521 199 HG13 VAL 29 3HG1 VAL 29 0.924 7.491 -5.989 200 HG21 VAL 29 1HG2 VAL 29 -0.452 9.105 -4.472 201 HG22 VAL 29 2HG2 VAL 29 0.133 8.190 -3.081 202 HG23 VAL 29 3HG2 VAL 29 -1.600 8.396 -3.335 203 H THR 30 H THR 30 -1.204 6.681 -8.175 204 HA THR 30 HA THR 30 -2.364 4.089 -8.504 205 HB THR 30 HB THR 30 -0.427 5.543 -10.326 206 HG1 THR 30 1HG THR 30 -3.278 5.596 -10.151 207 HG21 THR 30 1HG2 THR 30 -0.675 3.154 -10.870 208 HG22 THR 30 2HG2 THR 30 -1.420 4.167 -12.106 209 HG23 THR 30 3HG2 THR 30 -2.429 3.345 -10.916 210 H ASN 31 H ASN 31 0.919 5.312 -7.992 211 HA ASN 31 HA ASN 31 2.145 2.734 -8.371 212 HB2 ASN 31 1HB ASN 31 3.288 5.273 -7.177 213 HB3 ASN 31 2HB ASN 31 4.217 3.832 -7.577 214 HD21 ASN 31 1HD2 ASN 31 4.353 6.441 -10.278 215 HD22 ASN 31 2HD2 ASN 31 4.535 6.520 -8.561 216 H CYS 32 H CYS 32 1.206 1.340 -6.960 217 HA CYS 32 HA CYS 32 2.123 1.455 -4.203 218 HB2 CYS 32 2HB CYS 32 0.000 2.613 -3.986 219 HB3 CYS 32 1HB CYS 32 -0.825 1.394 -4.949 220 H ARG 33 H ARG 33 2.592 -0.531 -3.522 221 HA ARG 33 HA ARG 33 1.535 -2.893 -4.922 222 HB2 ARG 33 1HB ARG 33 4.447 -2.337 -4.255 223 HB3 ARG 33 2HB ARG 33 3.830 -3.872 -4.855 224 HG2 ARG 33 1HG ARG 33 3.397 -3.007 -6.983 225 HG3 ARG 33 2HG ARG 33 3.442 -1.336 -6.417 226 HD2 ARG 33 1HD ARG 33 5.435 -1.931 -7.727 227 HD3 ARG 33 2HD ARG 33 5.839 -1.485 -6.070 228 HE ARG 33 HE ARG 33 5.682 -4.290 -6.999 229 HH11 ARG 33 1HH1 ARG 33 7.218 -1.753 -5.126 230 HH12 ARG 33 2HH1 ARG 33 8.520 -2.770 -4.582 231 HH21 ARG 33 1HH2 ARG 33 7.383 -5.638 -6.256 232 HH22 ARG 33 2HH2 ARG 33 8.613 -4.974 -5.223 233 H VAL 34 H VAL 34 1.903 -4.889 -3.581 234 HA VAL 34 HA VAL 34 2.483 -4.455 -0.781 235 HB VAL 34 HB VAL 34 0.147 -3.770 -0.825 236 HG11 VAL 34 1HG1 VAL 34 -0.454 -6.478 -2.021 237 HG12 VAL 34 2HG1 VAL 34 -0.559 -4.932 -2.859 238 HG13 VAL 34 3HG1 VAL 34 -1.646 -5.279 -1.517 239 HG21 VAL 34 1HG2 VAL 34 -0.769 -5.338 0.821 240 HG22 VAL 34 2HG2 VAL 34 0.930 -4.998 1.139 241 HG23 VAL 34 3HG2 VAL 34 0.465 -6.523 0.385 242 H HIS 35 H HIS 35 3.429 -6.196 0.052 243 HA HIS 35 HA HIS 35 2.945 -8.796 -1.269 244 HB2 HIS 35 1HB HIS 35 5.292 -8.022 -1.482 245 HB3 HIS 35 2HB HIS 35 5.405 -7.902 0.268 246 HD1 HIS 35 HD1 HIS 35 5.319 -10.398 -2.524 247 HD2 HIS 35 HD2 HIS 35 5.786 -10.337 1.606 248 HE1 HIS 35 HE1 HIS 35 6.120 -12.695 -1.902 249 HE2 HIS 35 HE2 HIS 35 6.534 -12.593 0.584 250 H CYS 36 H CYS 36 1.891 -10.233 -0.059 251 HA CYS 36 HA CYS 36 2.038 -10.033 2.864 252 HB2 CYS 36 2HB CYS 36 0.030 -8.744 1.928 253 HB3 CYS 36 1HB CYS 36 -0.623 -10.306 1.447 254 H GLY 37 H GLY 37 3.038 -11.936 3.174 255 HA2 GLY 37 1HA GLY 37 2.283 -14.314 3.607 256 HA3 GLY 37 2HA GLY 37 1.900 -14.345 1.889 Start of MODEL 19 1 H1 ALA 1 1H ALA 1 -0.202 -13.424 9.270 2 H2 ALA 1 2H ALA 1 1.186 -14.369 9.487 3 H3 ALA 1 3H ALA 1 0.738 -13.865 7.940 4 HA ALA 1 HA ALA 1 1.537 -12.058 10.138 5 HB1 ALA 1 1HB ALA 1 3.630 -11.758 8.934 6 HB2 ALA 1 2HB ALA 1 3.110 -12.905 7.699 7 HB3 ALA 1 3HB ALA 1 3.405 -13.457 9.347 8 HA PRO 2 HA PRO 2 -0.379 -8.886 7.649 9 HB2 PRO 2 2HB PRO 2 1.206 -6.751 8.339 10 HB3 PRO 2 1HB PRO 2 -0.074 -7.398 9.374 11 HG2 PRO 2 2HG PRO 2 2.882 -7.905 9.474 12 HG3 PRO 2 1HG PRO 2 1.752 -7.599 10.809 13 HD2 PRO 2 2HD PRO 2 2.590 -10.082 10.213 14 HD3 PRO 2 1HD PRO 2 0.941 -9.769 10.791 15 H CYS 3 H CYS 3 0.676 -6.801 6.322 16 HA CYS 3 HA CYS 3 2.689 -7.999 4.536 17 HB2 CYS 3 2HB CYS 3 0.112 -6.654 3.684 18 HB3 CYS 3 1HB CYS 3 1.395 -7.162 2.590 19 H GLU 4 H GLU 4 3.685 -6.464 3.087 20 HA GLU 4 HA GLU 4 3.899 -3.739 4.194 21 HB2 GLU 4 1HB GLU 4 5.965 -5.236 2.550 22 HB3 GLU 4 2HB GLU 4 6.180 -3.699 3.380 23 HG2 GLU 4 1HG GLU 4 5.900 -4.853 5.541 24 HG3 GLU 4 2HG GLU 4 5.754 -6.386 4.683 25 H CYS 5 H CYS 5 4.255 -2.063 2.550 26 HA CYS 5 HA CYS 5 3.316 -2.756 -0.123 27 HB2 CYS 5 2HB CYS 5 2.073 -0.683 1.699 28 HB3 CYS 5 1HB CYS 5 1.692 -0.872 -0.004 29 H ASP 6 H ASP 6 4.000 -1.367 -1.741 30 HA ASP 6 HA ASP 6 6.055 0.577 -0.996 31 HB2 ASP 6 1HB ASP 6 5.655 -1.131 -3.459 32 HB3 ASP 6 2HB ASP 6 6.844 0.127 -3.333 33 H VAL 7 H VAL 7 5.151 2.522 -1.077 34 HA VAL 7 HA VAL 7 3.294 3.229 -3.235 35 HB VAL 7 HB VAL 7 3.615 4.469 -0.484 36 HG11 VAL 7 1HG1 VAL 7 1.617 5.108 -2.658 37 HG12 VAL 7 2HG1 VAL 7 2.954 6.134 -2.137 38 HG13 VAL 7 3HG1 VAL 7 1.628 5.788 -1.028 39 HG21 VAL 7 1HG2 VAL 7 1.370 2.778 -1.597 40 HG22 VAL 7 2HG2 VAL 7 1.412 3.529 0.001 41 HG23 VAL 7 3HG2 VAL 7 2.565 2.257 -0.407 42 H ASN 8 H ASN 8 4.280 4.352 -4.772 43 HA ASN 8 HA ASN 8 5.725 5.677 -5.908 44 HB2 ASN 8 1HB ASN 8 5.353 7.303 -3.392 45 HB3 ASN 8 2HB ASN 8 6.321 7.886 -4.741 46 HD21 ASN 8 1HD2 ASN 8 2.768 9.082 -4.937 47 HD22 ASN 8 2HD2 ASN 8 3.945 9.067 -3.670 48 H GLY 9 H GLY 9 6.819 3.560 -4.133 49 HA2 GLY 9 1HA GLY 9 9.077 2.816 -4.362 50 HA3 GLY 9 2HA GLY 9 9.608 4.489 -4.285 51 H GLU 10 H GLU 10 7.555 4.672 -1.913 52 HA GLU 10 HA GLU 10 9.558 3.960 0.090 53 HB2 GLU 10 1HB GLU 10 8.486 6.223 0.109 54 HB3 GLU 10 2HB GLU 10 6.942 5.453 0.457 55 HG2 GLU 10 1HG GLU 10 8.050 6.397 2.459 56 HG3 GLU 10 2HG GLU 10 7.738 4.667 2.582 57 H THR 11 H THR 11 9.015 2.685 1.954 58 HA THR 11 HA THR 11 6.966 0.668 1.283 59 HB THR 11 HB THR 11 9.542 0.244 2.825 60 HG1 THR 11 1HG THR 11 8.883 -0.562 0.164 61 HG21 THR 11 1HG2 THR 11 7.524 -1.733 1.724 62 HG22 THR 11 2HG2 THR 11 7.765 -1.351 3.427 63 HG23 THR 11 3HG2 THR 11 9.046 -2.147 2.515 64 H TYR 12 H TYR 12 5.311 0.642 2.596 65 HA TYR 12 HA TYR 12 5.649 1.386 5.440 66 HB2 TYR 12 2HB TYR 12 3.222 1.627 3.638 67 HB3 TYR 12 1HB TYR 12 3.201 1.924 5.371 68 HD1 TYR 12 1HD TYR 12 4.267 3.904 6.313 69 HD2 TYR 12 2HD TYR 12 4.236 3.228 2.111 70 HE1 TYR 12 1HE TYR 12 4.896 6.250 5.942 71 HE2 TYR 12 2HE TYR 12 4.875 5.574 1.724 72 HH TYR 12 HH TYR 12 4.769 7.726 2.869 73 H THR 13 H THR 13 4.133 0.235 6.911 74 HA THR 13 HA THR 13 3.548 -2.493 5.954 75 HB THR 13 HB THR 13 3.542 -3.056 8.466 76 HG1 THR 13 1HG THR 13 3.630 -1.099 9.461 77 HG21 THR 13 1HG2 THR 13 6.147 -2.271 7.131 78 HG22 THR 13 2HG2 THR 13 5.303 -3.810 6.943 79 HG23 THR 13 3HG2 THR 13 5.980 -3.362 8.508 80 H VAL 14 H VAL 14 1.540 -3.242 6.086 81 HA VAL 14 HA VAL 14 -0.526 -1.466 7.228 82 HB VAL 14 HB VAL 14 -2.011 -2.291 5.342 83 HG11 VAL 14 1HG1 VAL 14 0.421 -0.670 4.563 84 HG12 VAL 14 2HG1 VAL 14 -1.042 -0.044 5.327 85 HG13 VAL 14 3HG1 VAL 14 -1.115 -0.709 3.696 86 HG21 VAL 14 1HG2 VAL 14 -0.905 -3.154 3.329 87 HG22 VAL 14 2HG2 VAL 14 -0.678 -4.246 4.694 88 HG23 VAL 14 3HG2 VAL 14 0.636 -3.187 4.181 89 H SER 15 H SER 15 -2.565 -2.571 7.728 90 HA SER 15 HA SER 15 -2.125 -4.815 9.372 91 HB2 SER 15 1HB SER 15 -3.879 -3.128 9.804 92 HB3 SER 15 2HB SER 15 -4.755 -3.670 8.373 93 HG SER 15 HG SER 15 -4.314 -5.022 10.818 94 H SER 16 H SER 16 -3.715 -4.511 6.188 95 HA SER 16 HA SER 16 -3.253 -7.323 5.664 96 HB2 SER 16 1HB SER 16 -6.094 -6.255 5.680 97 HB3 SER 16 2HB SER 16 -5.587 -7.903 5.300 98 HG SER 16 HG SER 16 -4.593 -7.649 7.592 99 H SER 17 H SER 17 -4.291 -7.893 3.457 100 HA SER 17 HA SER 17 -3.167 -6.330 1.448 101 HB2 SER 17 1HB SER 17 -4.647 -7.737 -0.072 102 HB3 SER 17 2HB SER 17 -3.644 -8.653 1.055 103 HG SER 17 HG SER 17 -5.597 -9.531 1.357 104 H GLU 18 H GLU 18 -6.626 -6.747 2.171 105 HA GLU 18 HA GLU 18 -7.733 -4.818 0.559 106 HB2 GLU 18 1HB GLU 18 -8.566 -5.503 3.393 107 HB3 GLU 18 2HB GLU 18 -9.575 -4.698 2.197 108 HG2 GLU 18 1HG GLU 18 -9.571 -6.678 0.804 109 HG3 GLU 18 2HG GLU 18 -8.456 -7.485 1.905 110 H GLU 19 H GLU 19 -6.373 -4.401 3.796 111 HA GLU 19 HA GLU 19 -6.956 -1.697 4.167 112 HB2 GLU 19 1HB GLU 19 -6.151 -3.236 5.939 113 HB3 GLU 19 2HB GLU 19 -4.562 -3.240 5.191 114 HG2 GLU 19 1HG GLU 19 -4.556 -1.759 7.079 115 HG3 GLU 19 2HG GLU 19 -4.381 -0.822 5.597 116 H CYS 20 H CYS 20 -4.165 -3.281 2.659 117 HA CYS 20 HA CYS 20 -2.579 -1.025 2.180 118 HB2 CYS 20 2HB CYS 20 -1.896 -3.427 1.835 119 HB3 CYS 20 1HB CYS 20 -2.840 -3.429 0.355 120 H GLU 21 H GLU 21 -4.907 -2.618 0.015 121 HA GLU 21 HA GLU 21 -4.745 -0.849 -2.122 122 HB2 GLU 21 1HB GLU 21 -7.143 -2.444 -1.177 123 HB3 GLU 21 2HB GLU 21 -6.987 -1.698 -2.763 124 HG2 GLU 21 1HG GLU 21 -5.218 -3.875 -1.658 125 HG3 GLU 21 2HG GLU 21 -6.517 -4.092 -2.831 126 H ARG 22 H ARG 22 -6.827 -0.742 0.754 127 HA ARG 22 HA ARG 22 -8.364 1.469 0.004 128 HB2 ARG 22 1HB ARG 22 -7.629 0.237 2.662 129 HB3 ARG 22 2HB ARG 22 -8.743 1.569 2.512 130 HG2 ARG 22 1HG ARG 22 -10.243 0.221 1.159 131 HG3 ARG 22 2HG ARG 22 -9.098 -1.123 1.232 132 HD2 ARG 22 1HD ARG 22 -10.938 -1.395 2.840 133 HD3 ARG 22 2HD ARG 22 -9.375 -1.260 3.645 134 HE ARG 22 HE ARG 22 -11.248 1.017 3.412 135 HH11 ARG 22 1HH1 ARG 22 -9.063 -0.956 5.311 136 HH12 ARG 22 2HH1 ARG 22 -9.241 0.004 6.741 137 HH21 ARG 22 1HH2 ARG 22 -11.476 2.276 5.310 138 HH22 ARG 22 2HH2 ARG 22 -10.604 1.823 6.743 139 H LEU 23 H LEU 23 -5.349 1.175 1.857 140 HA LEU 23 HA LEU 23 -5.124 3.854 2.664 141 HB2 LEU 23 1HB LEU 23 -3.744 2.022 3.573 142 HB3 LEU 23 2HB LEU 23 -2.928 1.870 2.029 143 HG LEU 23 HG LEU 23 -2.011 4.166 2.310 144 HD11 LEU 23 1HD1 LEU 23 -3.280 4.015 5.045 145 HD12 LEU 23 2HD1 LEU 23 -3.736 5.110 3.739 146 HD13 LEU 23 3HD1 LEU 23 -2.153 5.257 4.499 147 HD21 LEU 23 1HD2 LEU 23 -0.383 3.599 4.056 148 HD22 LEU 23 2HD2 LEU 23 -0.677 2.238 2.973 149 HD23 LEU 23 3HD2 LEU 23 -1.412 2.261 4.580 150 H CYS 24 H CYS 24 -3.748 2.175 -0.147 151 HA CYS 24 HA CYS 24 -2.524 4.472 -1.249 152 HB2 CYS 24 2HB CYS 24 -3.308 1.871 -2.588 153 HB3 CYS 24 1HB CYS 24 -2.194 3.067 -3.248 154 H ARG 25 H ARG 25 -5.698 2.963 -1.780 155 HA ARG 25 HA ARG 25 -6.391 4.607 -3.994 156 HB2 ARG 25 1HB ARG 25 -8.564 3.681 -3.886 157 HB3 ARG 25 2HB ARG 25 -7.489 2.398 -3.373 158 HG2 ARG 25 1HG ARG 25 -9.249 2.184 -1.919 159 HG3 ARG 25 2HG ARG 25 -8.099 3.128 -0.983 160 HD2 ARG 25 1HD ARG 25 -10.488 3.898 -0.842 161 HD3 ARG 25 2HD ARG 25 -9.329 5.134 -1.321 162 HE ARG 25 HE ARG 25 -10.273 5.202 -3.433 163 HH11 ARG 25 1HH1 ARG 25 -11.711 2.564 -1.612 164 HH12 ARG 25 2HH1 ARG 25 -13.080 2.437 -2.672 165 HH21 ARG 25 1HH2 ARG 25 -12.091 5.053 -4.774 166 HH22 ARG 25 2HH2 ARG 25 -13.304 3.850 -4.453 167 H LYS 26 H LYS 26 -6.687 4.914 -0.536 168 HA LYS 26 HA LYS 26 -8.365 7.214 -0.533 169 HB2 LYS 26 1HB LYS 26 -8.032 5.686 1.424 170 HB3 LYS 26 2HB LYS 26 -6.405 6.324 1.599 171 HG2 LYS 26 1HG LYS 26 -7.921 7.360 3.189 172 HG3 LYS 26 2HG LYS 26 -7.311 8.552 2.041 173 HD2 LYS 26 1HD LYS 26 -9.719 8.834 2.474 174 HD3 LYS 26 2HD LYS 26 -9.395 8.447 0.783 175 HE2 LYS 26 1HE LYS 26 -11.338 7.211 1.675 176 HE3 LYS 26 2HE LYS 26 -10.043 6.133 1.155 177 HZ1 LYS 26 1HZ LYS 26 -10.624 6.932 3.956 178 HZ2 LYS 26 2HZ LYS 26 -9.360 5.923 3.471 179 HZ3 LYS 26 3HZ LYS 26 -10.961 5.429 3.260 180 H LEU 27 H LEU 27 -4.858 6.741 -0.272 181 HA LEU 27 HA LEU 27 -4.205 9.509 -0.246 182 HB2 LEU 27 1HB LEU 27 -2.535 7.114 -1.042 183 HB3 LEU 27 2HB LEU 27 -1.908 8.731 -0.776 184 HG LEU 27 HG LEU 27 -3.197 6.972 1.324 185 HD11 LEU 27 1HD1 LEU 27 -0.956 6.853 2.294 186 HD12 LEU 27 2HD1 LEU 27 -0.314 7.776 0.933 187 HD13 LEU 27 3HD1 LEU 27 -0.995 6.170 0.668 188 HD21 LEU 27 1HD2 LEU 27 -2.495 8.693 2.922 189 HD22 LEU 27 2HD2 LEU 27 -3.641 9.336 1.748 190 HD23 LEU 27 3HD2 LEU 27 -1.922 9.701 1.591 191 H GLY 28 H GLY 28 -5.068 7.269 -2.712 192 HA2 GLY 28 1HA GLY 28 -5.693 7.730 -4.898 193 HA3 GLY 28 2HA GLY 28 -5.168 9.393 -4.665 194 H VAL 29 H VAL 29 -3.042 6.776 -3.889 195 HA VAL 29 HA VAL 29 -1.256 7.668 -6.044 196 HB VAL 29 HB VAL 29 -0.587 5.980 -3.628 197 HG11 VAL 29 1HG1 VAL 29 1.750 6.474 -4.229 198 HG12 VAL 29 2HG1 VAL 29 1.190 7.327 -5.667 199 HG13 VAL 29 3HG1 VAL 29 0.914 5.593 -5.508 200 HG21 VAL 29 1HG2 VAL 29 0.489 8.006 -2.731 201 HG22 VAL 29 2HG2 VAL 29 -1.249 8.233 -2.949 202 HG23 VAL 29 3HG2 VAL 29 -0.116 8.930 -4.110 203 H THR 30 H THR 30 -1.235 6.493 -7.803 204 HA THR 30 HA THR 30 -2.321 3.850 -7.927 205 HB THR 30 HB THR 30 -0.782 5.385 -10.039 206 HG1 THR 30 1HG THR 30 -3.486 5.397 -9.212 207 HG21 THR 30 1HG2 THR 30 -2.021 3.931 -11.618 208 HG22 THR 30 2HG2 THR 30 -2.667 3.026 -10.249 209 HG23 THR 30 3HG2 THR 30 -0.934 3.015 -10.574 210 H ASN 31 H ASN 31 0.897 5.244 -7.748 211 HA ASN 31 HA ASN 31 2.305 2.801 -8.261 212 HB2 ASN 31 1HB ASN 31 3.245 5.319 -6.851 213 HB3 ASN 31 2HB ASN 31 4.284 4.003 -7.384 214 HD21 ASN 31 1HD2 ASN 31 4.092 6.899 -9.826 215 HD22 ASN 31 2HD2 ASN 31 4.208 6.863 -8.100 216 H CYS 32 H CYS 32 1.310 1.291 -6.913 217 HA CYS 32 HA CYS 32 2.141 1.340 -4.109 218 HB2 CYS 32 2HB CYS 32 -0.003 2.438 -3.956 219 HB3 CYS 32 1HB CYS 32 -0.761 1.258 -5.015 220 H ARG 33 H ARG 33 3.135 -0.554 -3.946 221 HA ARG 33 HA ARG 33 2.013 -2.929 -5.298 222 HB2 ARG 33 1HB ARG 33 4.886 -2.411 -4.476 223 HB3 ARG 33 2HB ARG 33 4.297 -3.842 -5.303 224 HG2 ARG 33 1HG ARG 33 4.226 -1.048 -6.439 225 HG3 ARG 33 2HG ARG 33 5.455 -2.263 -6.798 226 HD2 ARG 33 1HD ARG 33 2.496 -2.502 -7.371 227 HD3 ARG 33 2HD ARG 33 3.762 -2.190 -8.558 228 HE ARG 33 HE ARG 33 4.618 -4.482 -7.520 229 HH11 ARG 33 1HH1 ARG 33 1.434 -3.548 -8.645 230 HH12 ARG 33 2HH1 ARG 33 0.953 -5.181 -8.998 231 HH21 ARG 33 1HH2 ARG 33 4.004 -6.604 -8.021 232 HH22 ARG 33 2HH2 ARG 33 2.410 -6.914 -8.642 233 H VAL 34 H VAL 34 2.553 -5.016 -4.096 234 HA VAL 34 HA VAL 34 2.355 -4.594 -1.177 235 HB VAL 34 HB VAL 34 0.771 -6.626 -2.780 236 HG11 VAL 34 1HG1 VAL 34 -0.386 -7.104 -0.678 237 HG12 VAL 34 2HG1 VAL 34 0.645 -5.950 0.165 238 HG13 VAL 34 3HG1 VAL 34 1.343 -7.411 -0.527 239 HG21 VAL 34 1HG2 VAL 34 -0.044 -4.343 -3.152 240 HG22 VAL 34 2HG2 VAL 34 -0.193 -4.106 -1.409 241 HG23 VAL 34 3HG2 VAL 34 -1.205 -5.297 -2.228 242 H HIS 35 H HIS 35 3.313 -6.141 0.124 243 HA HIS 35 HA HIS 35 4.592 -8.473 -1.101 244 HB2 HIS 35 1HB HIS 35 6.402 -6.890 -1.134 245 HB3 HIS 35 2HB HIS 35 6.031 -6.340 0.495 246 HD1 HIS 35 HD1 HIS 35 8.032 -6.994 1.834 247 HD2 HIS 35 HD2 HIS 35 6.746 -10.065 -0.655 248 HE1 HIS 35 HE1 HIS 35 9.469 -8.972 2.401 249 HE2 HIS 35 HE2 HIS 35 8.453 -10.875 1.109 250 H CYS 36 H CYS 36 3.708 -10.105 0.016 251 HA CYS 36 HA CYS 36 3.364 -9.808 2.938 252 HB2 CYS 36 2HB CYS 36 1.884 -11.658 1.042 253 HB3 CYS 36 1HB CYS 36 1.591 -11.496 2.771 254 H GLY 37 H GLY 37 4.480 -11.161 4.235 255 HA2 GLY 37 1HA GLY 37 5.805 -12.913 4.917 256 HA3 GLY 37 2HA GLY 37 5.379 -13.753 3.431 Start of MODEL 20 1 H1 ALA 1 1H ALA 1 7.675 -13.329 9.349 2 H2 ALA 1 2H ALA 1 6.293 -13.119 10.303 3 H3 ALA 1 3H ALA 1 7.273 -11.795 9.931 4 HA ALA 1 HA ALA 1 6.715 -11.922 7.631 5 HB1 ALA 1 1HB ALA 1 6.487 -14.372 7.536 6 HB2 ALA 1 2HB ALA 1 5.115 -13.547 6.799 7 HB3 ALA 1 3HB ALA 1 4.959 -14.254 8.407 8 HA PRO 2 HA PRO 2 3.313 -9.596 9.668 9 HB2 PRO 2 2HB PRO 2 4.510 -7.160 8.697 10 HB3 PRO 2 1HB PRO 2 4.388 -7.717 10.365 11 HG2 PRO 2 2HG PRO 2 6.760 -7.485 8.982 12 HG3 PRO 2 1HG PRO 2 6.513 -8.568 10.365 13 HD2 PRO 2 2HD PRO 2 6.447 -9.199 7.426 14 HD3 PRO 2 1HD PRO 2 7.174 -10.121 8.762 15 H CYS 3 H CYS 3 3.771 -7.108 7.496 16 HA CYS 3 HA CYS 3 2.893 -8.105 5.050 17 HB2 CYS 3 2HB CYS 3 0.828 -8.484 6.653 18 HB3 CYS 3 1HB CYS 3 0.592 -6.754 6.434 19 H GLU 4 H GLU 4 3.996 -6.592 3.960 20 HA GLU 4 HA GLU 4 3.822 -3.781 4.834 21 HB2 GLU 4 1HB GLU 4 6.054 -5.107 3.265 22 HB3 GLU 4 2HB GLU 4 6.028 -3.442 3.825 23 HG2 GLU 4 1HG GLU 4 7.432 -4.547 5.319 24 HG3 GLU 4 2HG GLU 4 5.902 -4.402 6.180 25 H CYS 5 H CYS 5 4.346 -2.251 2.960 26 HA CYS 5 HA CYS 5 3.293 -3.123 0.390 27 HB2 CYS 5 2HB CYS 5 2.051 -1.000 2.143 28 HB3 CYS 5 1HB CYS 5 1.784 -1.065 0.408 29 H ASP 6 H ASP 6 3.330 -1.170 -1.143 30 HA ASP 6 HA ASP 6 5.701 0.491 -0.692 31 HB2 ASP 6 1HB ASP 6 6.381 -1.527 -1.987 32 HB3 ASP 6 2HB ASP 6 5.178 -1.130 -3.210 33 H VAL 7 H VAL 7 5.670 2.424 -1.803 34 HA VAL 7 HA VAL 7 3.354 3.152 -3.417 35 HB VAL 7 HB VAL 7 4.209 4.650 -0.912 36 HG11 VAL 7 1HG1 VAL 7 3.696 6.232 -2.686 37 HG12 VAL 7 2HG1 VAL 7 2.427 6.259 -1.462 38 HG13 VAL 7 3HG1 VAL 7 2.160 5.424 -2.991 39 HG21 VAL 7 1HG2 VAL 7 1.587 3.301 -1.595 40 HG22 VAL 7 2HG2 VAL 7 1.906 4.247 -0.140 41 HG23 VAL 7 3HG2 VAL 7 2.775 2.737 -0.418 42 H ASN 8 H ASN 8 4.592 3.509 -5.218 43 HA ASN 8 HA ASN 8 5.913 4.658 -6.674 44 HB2 ASN 8 1HB ASN 8 6.198 6.688 -4.441 45 HB3 ASN 8 2HB ASN 8 6.592 6.953 -6.135 46 HD21 ASN 8 1HD2 ASN 8 3.183 8.264 -5.180 47 HD22 ASN 8 2HD2 ASN 8 4.725 8.368 -4.403 48 H GLY 9 H GLY 9 7.084 3.215 -3.955 49 HA2 GLY 9 1HA GLY 9 9.433 2.348 -4.363 50 HA3 GLY 9 2HA GLY 9 9.880 4.045 -4.449 51 H GLU 10 H GLU 10 7.742 4.441 -2.203 52 HA GLU 10 HA GLU 10 9.604 3.898 -0.014 53 HB2 GLU 10 1HB GLU 10 8.235 5.417 1.315 54 HB3 GLU 10 2HB GLU 10 8.690 6.172 -0.204 55 HG2 GLU 10 1HG GLU 10 6.427 5.518 -1.082 56 HG3 GLU 10 2HG GLU 10 6.011 5.043 0.561 57 H THR 11 H THR 11 8.736 3.027 2.049 58 HA THR 11 HA THR 11 6.895 0.803 1.423 59 HB THR 11 HB THR 11 9.138 0.808 3.460 60 HG1 THR 11 1HG THR 11 9.096 0.279 0.721 61 HG21 THR 11 1HG2 THR 11 7.464 -1.439 2.313 62 HG22 THR 11 2HG2 THR 11 7.366 -0.807 3.957 63 HG23 THR 11 3HG2 THR 11 8.824 -1.643 3.417 64 H TYR 12 H TYR 12 5.316 0.232 2.861 65 HA TYR 12 HA TYR 12 5.157 1.608 5.456 66 HB2 TYR 12 2HB TYR 12 2.946 1.469 3.386 67 HB3 TYR 12 1HB TYR 12 2.630 1.788 5.088 68 HD1 TYR 12 1HD TYR 12 3.361 3.895 6.119 69 HD2 TYR 12 2HD TYR 12 3.923 3.162 1.961 70 HE1 TYR 12 1HE TYR 12 3.768 6.291 5.759 71 HE2 TYR 12 2HE TYR 12 4.332 5.559 1.592 72 HH TYR 12 HH TYR 12 4.142 7.628 2.530 73 H THR 13 H THR 13 3.489 0.509 6.877 74 HA THR 13 HA THR 13 3.458 -2.397 6.354 75 HB THR 13 HB THR 13 3.234 -2.564 8.902 76 HG1 THR 13 1HG THR 13 2.926 -0.072 8.881 77 HG21 THR 13 1HG2 THR 13 5.302 -3.153 7.723 78 HG22 THR 13 2HG2 THR 13 5.657 -2.371 9.262 79 HG23 THR 13 3HG2 THR 13 5.811 -1.462 7.757 80 H VAL 14 H VAL 14 1.562 -3.468 6.459 81 HA VAL 14 HA VAL 14 -0.871 -2.005 7.251 82 HB VAL 14 HB VAL 14 -2.048 -2.959 5.278 83 HG11 VAL 14 1HG1 VAL 14 -1.232 -0.658 5.193 84 HG12 VAL 14 2HG1 VAL 14 -1.136 -1.413 3.603 85 HG13 VAL 14 3HG1 VAL 14 0.322 -1.216 4.576 86 HG21 VAL 14 1HG2 VAL 14 -0.752 -3.882 3.407 87 HG22 VAL 14 2HG2 VAL 14 -0.551 -4.864 4.861 88 HG23 VAL 14 3HG2 VAL 14 0.729 -3.756 4.360 89 H SER 15 H SER 15 -2.787 -3.590 7.283 90 HA SER 15 HA SER 15 -2.003 -5.972 8.744 91 HB2 SER 15 1HB SER 15 -3.866 -4.536 9.552 92 HB3 SER 15 2HB SER 15 -4.778 -4.926 8.096 93 HG SER 15 HG SER 15 -4.213 -6.483 10.333 94 H SER 16 H SER 16 -3.461 -5.109 5.658 95 HA SER 16 HA SER 16 -3.025 -7.763 4.611 96 HB2 SER 16 1HB SER 16 -5.423 -8.087 3.989 97 HB3 SER 16 2HB SER 16 -5.165 -8.097 5.735 98 HG SER 16 HG SER 16 -6.522 -6.516 5.841 99 H SER 17 H SER 17 -3.961 -7.873 2.288 100 HA SER 17 HA SER 17 -3.004 -5.701 0.748 101 HB2 SER 17 1HB SER 17 -3.158 -8.071 -0.062 102 HB3 SER 17 2HB SER 17 -4.911 -7.906 -0.113 103 HG SER 17 HG SER 17 -2.983 -6.943 -1.832 104 H GLU 18 H GLU 18 -6.097 -6.570 2.086 105 HA GLU 18 HA GLU 18 -7.812 -4.796 0.775 106 HB2 GLU 18 1HB GLU 18 -8.576 -6.536 2.341 107 HB3 GLU 18 2HB GLU 18 -7.814 -5.681 3.673 108 HG2 GLU 18 1HG GLU 18 -10.159 -5.262 3.746 109 HG3 GLU 18 2HG GLU 18 -9.342 -3.773 3.270 110 H GLU 19 H GLU 19 -6.125 -4.357 3.867 111 HA GLU 19 HA GLU 19 -6.685 -1.643 4.230 112 HB2 GLU 19 1HB GLU 19 -4.207 -3.131 5.143 113 HB3 GLU 19 2HB GLU 19 -4.827 -1.631 5.822 114 HG2 GLU 19 1HG GLU 19 -6.222 -4.303 5.892 115 HG3 GLU 19 2HG GLU 19 -5.338 -3.565 7.225 116 H CYS 20 H CYS 20 -4.121 -3.268 2.484 117 HA CYS 20 HA CYS 20 -2.412 -1.104 2.014 118 HB2 CYS 20 2HB CYS 20 -2.032 -3.616 1.601 119 HB3 CYS 20 1HB CYS 20 -2.844 -3.367 0.060 120 H GLU 21 H GLU 21 -4.876 -2.511 -0.144 121 HA GLU 21 HA GLU 21 -4.823 -0.554 -2.129 122 HB2 GLU 21 1HB GLU 21 -6.985 -2.429 -1.172 123 HB3 GLU 21 2HB GLU 21 -7.280 -1.290 -2.480 124 HG2 GLU 21 1HG GLU 21 -5.092 -3.362 -2.488 125 HG3 GLU 21 2HG GLU 21 -6.679 -3.575 -3.228 126 H ARG 22 H ARG 22 -6.904 -0.825 0.731 127 HA ARG 22 HA ARG 22 -8.539 1.360 0.374 128 HB2 ARG 22 1HB ARG 22 -8.733 -0.351 2.167 129 HB3 ARG 22 2HB ARG 22 -7.373 0.397 2.993 130 HG2 ARG 22 1HG ARG 22 -8.663 2.451 3.280 131 HG3 ARG 22 2HG ARG 22 -10.027 1.718 2.428 132 HD2 ARG 22 1HD ARG 22 -10.061 -0.069 4.170 133 HD3 ARG 22 2HD ARG 22 -8.821 0.824 5.047 134 HE ARG 22 HE ARG 22 -10.661 2.698 4.871 135 HH11 ARG 22 1HH1 ARG 22 -11.068 -0.703 5.613 136 HH12 ARG 22 2HH1 ARG 22 -12.497 -0.447 6.564 137 HH21 ARG 22 1HH2 ARG 22 -12.523 3.031 6.110 138 HH22 ARG 22 2HH2 ARG 22 -13.338 1.679 6.832 139 H LEU 23 H LEU 23 -5.466 1.297 2.175 140 HA LEU 23 HA LEU 23 -5.330 4.023 2.778 141 HB2 LEU 23 1HB LEU 23 -3.932 2.316 3.851 142 HB3 LEU 23 2HB LEU 23 -3.083 2.043 2.340 143 HG LEU 23 HG LEU 23 -2.234 4.389 2.439 144 HD11 LEU 23 1HD1 LEU 23 -3.480 4.392 5.187 145 HD12 LEU 23 2HD1 LEU 23 -3.977 5.377 3.810 146 HD13 LEU 23 3HD1 LEU 23 -2.393 5.624 4.544 147 HD21 LEU 23 1HD2 LEU 23 -1.569 2.662 4.827 148 HD22 LEU 23 2HD2 LEU 23 -0.583 3.988 4.206 149 HD23 LEU 23 3HD2 LEU 23 -0.844 2.549 3.222 150 H CYS 24 H CYS 24 -3.918 2.206 0.075 151 HA CYS 24 HA CYS 24 -2.520 4.298 -1.133 152 HB2 CYS 24 2HB CYS 24 -2.186 1.943 -1.716 153 HB3 CYS 24 1HB CYS 24 -3.792 1.875 -2.425 154 H ARG 25 H ARG 25 -5.805 3.122 -1.779 155 HA ARG 25 HA ARG 25 -6.281 4.930 -3.925 156 HB2 ARG 25 1HB ARG 25 -8.367 3.485 -2.272 157 HB3 ARG 25 2HB ARG 25 -8.566 4.138 -3.895 158 HG2 ARG 25 1HG ARG 25 -6.900 1.777 -3.053 159 HG3 ARG 25 2HG ARG 25 -8.329 1.777 -4.083 160 HD2 ARG 25 1HD ARG 25 -7.173 2.751 -5.879 161 HD3 ARG 25 2HD ARG 25 -5.842 3.283 -4.851 162 HE ARG 25 HE ARG 25 -6.248 0.407 -5.065 163 HH11 ARG 25 1HH1 ARG 25 -4.484 3.219 -6.186 164 HH12 ARG 25 2HH1 ARG 25 -3.134 2.298 -6.760 165 HH21 ARG 25 1HH2 ARG 25 -4.458 -0.809 -5.797 166 HH22 ARG 25 2HH2 ARG 25 -3.111 0.016 -6.540 167 H LYS 26 H LYS 26 -6.949 4.992 -0.462 168 HA LYS 26 HA LYS 26 -8.497 7.349 -0.419 169 HB2 LYS 26 1HB LYS 26 -8.349 5.904 1.539 170 HB3 LYS 26 2HB LYS 26 -6.622 6.210 1.674 171 HG2 LYS 26 1HG LYS 26 -7.814 7.503 3.325 172 HG3 LYS 26 2HG LYS 26 -7.091 8.586 2.134 173 HD2 LYS 26 1HD LYS 26 -9.330 8.637 0.973 174 HD3 LYS 26 2HD LYS 26 -9.990 7.758 2.352 175 HE2 LYS 26 1HE LYS 26 -8.704 10.489 2.397 176 HE3 LYS 26 2HE LYS 26 -10.416 10.128 2.600 177 HZ1 LYS 26 1HZ LYS 26 -9.348 10.535 4.719 178 HZ2 LYS 26 2HZ LYS 26 -8.240 9.289 4.442 179 HZ3 LYS 26 3HZ LYS 26 -9.883 8.932 4.634 180 H LEU 27 H LEU 27 -4.994 6.827 -0.180 181 HA LEU 27 HA LEU 27 -4.332 9.593 0.026 182 HB2 LEU 27 1HB LEU 27 -2.622 7.262 -0.866 183 HB3 LEU 27 2HB LEU 27 -2.024 8.858 -0.450 184 HG LEU 27 HG LEU 27 -3.326 6.876 1.432 185 HD11 LEU 27 1HD1 LEU 27 -0.500 7.931 1.327 186 HD12 LEU 27 2HD1 LEU 27 -1.020 6.327 0.809 187 HD13 LEU 27 3HD1 LEU 27 -1.151 6.789 2.506 188 HD21 LEU 27 1HD2 LEU 27 -3.989 9.117 2.062 189 HD22 LEU 27 2HD2 LEU 27 -2.317 9.673 1.969 190 HD23 LEU 27 3HD2 LEU 27 -2.792 8.509 3.207 191 H GLY 28 H GLY 28 -5.028 7.440 -2.584 192 HA2 GLY 28 1HA GLY 28 -5.626 8.022 -4.753 193 HA3 GLY 28 2HA GLY 28 -5.065 9.660 -4.449 194 H VAL 29 H VAL 29 -3.200 6.732 -3.911 195 HA VAL 29 HA VAL 29 -1.054 7.770 -5.561 196 HB VAL 29 HB VAL 29 -1.229 5.153 -4.043 197 HG11 VAL 29 1HG1 VAL 29 1.159 6.586 -5.218 198 HG12 VAL 29 2HG1 VAL 29 0.446 5.089 -5.817 199 HG13 VAL 29 3HG1 VAL 29 1.217 5.122 -4.233 200 HG21 VAL 29 1HG2 VAL 29 0.041 7.771 -3.227 201 HG22 VAL 29 2HG2 VAL 29 0.092 6.262 -2.313 202 HG23 VAL 29 3HG2 VAL 29 -1.444 7.093 -2.561 203 H THR 30 H THR 30 -0.370 6.975 -7.506 204 HA THR 30 HA THR 30 -2.264 5.405 -9.019 205 HB THR 30 HB THR 30 0.435 6.479 -9.891 206 HG1 THR 30 1HG THR 30 -1.833 7.773 -9.283 207 HG21 THR 30 1HG2 THR 30 -0.453 4.729 -11.371 208 HG22 THR 30 2HG2 THR 30 -0.496 6.308 -12.156 209 HG23 THR 30 3HG2 THR 30 -1.977 5.610 -11.501 210 H ASN 31 H ASN 31 1.204 5.056 -8.183 211 HA ASN 31 HA ASN 31 0.969 2.181 -8.816 212 HB2 ASN 31 1HB ASN 31 2.497 3.415 -10.313 213 HB3 ASN 31 2HB ASN 31 3.446 3.925 -8.919 214 HD21 ASN 31 1HD2 ASN 31 5.498 1.217 -9.756 215 HD22 ASN 31 2HD2 ASN 31 5.281 2.931 -9.797 216 H CYS 32 H CYS 32 0.483 1.321 -6.904 217 HA CYS 32 HA CYS 32 2.530 1.437 -4.773 218 HB2 CYS 32 2HB CYS 32 0.722 1.389 -3.087 219 HB3 CYS 32 1HB CYS 32 0.622 2.846 -4.071 220 H ARG 33 H ARG 33 2.943 -0.591 -3.893 221 HA ARG 33 HA ARG 33 1.340 -2.840 -4.926 222 HB2 ARG 33 1HB ARG 33 4.355 -2.624 -4.903 223 HB3 ARG 33 2HB ARG 33 3.489 -4.130 -5.166 224 HG2 ARG 33 1HG ARG 33 3.134 -1.695 -6.908 225 HG3 ARG 33 2HG ARG 33 4.314 -2.960 -7.234 226 HD2 ARG 33 1HD ARG 33 2.336 -3.353 -8.566 227 HD3 ARG 33 2HD ARG 33 2.473 -4.612 -7.343 228 HE ARG 33 HE ARG 33 0.770 -3.192 -6.079 229 HH11 ARG 33 1HH1 ARG 33 0.885 -3.334 -9.577 230 HH12 ARG 33 2HH1 ARG 33 -0.811 -3.022 -9.756 231 HH21 ARG 33 1HH2 ARG 33 -1.448 -2.795 -6.324 232 HH22 ARG 33 2HH2 ARG 33 -2.134 -2.731 -7.918 233 H VAL 34 H VAL 34 2.238 -4.965 -3.752 234 HA VAL 34 HA VAL 34 2.293 -4.331 -0.871 235 HB VAL 34 HB VAL 34 0.021 -4.998 -1.534 236 HG11 VAL 34 1HG1 VAL 34 1.273 -7.604 -2.428 237 HG12 VAL 34 2HG1 VAL 34 0.541 -6.385 -3.470 238 HG13 VAL 34 3HG1 VAL 34 -0.458 -7.271 -2.323 239 HG21 VAL 34 1HG2 VAL 34 1.424 -7.098 0.129 240 HG22 VAL 34 2HG2 VAL 34 -0.312 -6.787 0.113 241 HG23 VAL 34 3HG2 VAL 34 0.800 -5.556 0.711 242 H HIS 35 H HIS 35 3.598 -5.524 0.378 243 HA HIS 35 HA HIS 35 4.860 -7.946 -0.741 244 HB2 HIS 35 1HB HIS 35 6.189 -5.792 0.944 245 HB3 HIS 35 2HB HIS 35 6.915 -7.349 0.572 246 HD1 HIS 35 HD1 HIS 35 8.129 -7.561 -1.622 247 HD2 HIS 35 HD2 HIS 35 5.935 -4.040 -1.326 248 HE1 HIS 35 HE1 HIS 35 8.818 -6.163 -3.595 249 HE2 HIS 35 HE2 HIS 35 7.655 -3.958 -3.253 250 H CYS 36 H CYS 36 3.709 -9.461 0.381 251 HA CYS 36 HA CYS 36 3.521 -9.135 3.304 252 HB2 CYS 36 2HB CYS 36 1.390 -8.548 1.998 253 HB3 CYS 36 1HB CYS 36 1.278 -10.260 1.616 254 H GLY 37 H GLY 37 4.859 -10.687 4.011 255 HA2 GLY 37 1HA GLY 37 4.360 -13.311 4.220 256 HA3 GLY 37 2HA GLY 37 5.090 -13.225 2.621
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