NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
639046 | 6dri | 30479 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 -1.770 17.356 0.553 2 H2 GLU 1 HT2 GLU 1 -0.643 17.215 -0.698 3 H3 GLU 1 HT3 GLU 1 -0.334 16.541 0.827 4 HA GLU 1 HA GLU 1 -2.501 15.688 -0.956 5 HB2 GLU 1 HB2 GLU 1 -0.239 15.111 -1.813 6 HB3 GLU 1 HB1 GLU 1 0.131 14.352 -0.277 7 HG2 GLU 1 HG2 GLU 1 -0.411 12.664 -1.901 8 HG3 GLU 1 HG1 GLU 1 -1.678 12.724 -0.678 9 H HIS 2 H HIS 2 -4.112 15.307 0.508 10 HA HIS 2 HA HIS 2 -3.431 14.063 3.024 11 HB2 HIS 2 HB2 HIS 2 -6.129 14.847 1.865 12 HB3 HIS 2 HB1 HIS 2 -5.913 14.099 3.442 13 HD1 HIS 2 HD1 HIS 2 -6.450 17.340 2.076 14 HD2 HIS 2 HD2 HIS 2 -3.958 15.801 5.031 15 HE1 HIS 2 HE1 HIS 2 -5.763 19.290 3.489 16 H CYS 3 H CYS 3 -3.129 12.033 3.138 17 HA CYS 3 HA CYS 3 -3.644 10.410 0.834 18 HB2 CYS 3 HB2 CYS 3 -2.215 8.799 2.053 19 HB3 CYS 3 HB1 CYS 3 -1.464 10.375 1.802 20 H ALA 4 H ALA 4 -4.820 8.493 0.832 21 HA ALA 4 HA ALA 4 -6.106 7.588 3.246 22 HB1 ALA 4 HB1 ALA 4 -7.698 9.257 2.419 23 HB2 ALA 4 HB2 ALA 4 -8.353 7.631 2.227 24 HB3 ALA 4 HB3 ALA 4 -7.696 8.488 0.833 25 H ASP 5 H ASP 5 -6.140 5.433 3.189 26 HA ASP 5 HA ASP 5 -5.063 3.933 1.079 27 HB2 ASP 5 HB2 ASP 5 -7.021 2.898 3.136 28 HB3 ASP 5 HB1 ASP 5 -5.875 1.944 2.209 29 H GLU 6 H GLU 6 -5.914 2.802 -0.543 30 HA GLU 6 HA GLU 6 -8.277 3.775 -1.733 31 HB2 GLU 6 HB2 GLU 6 -6.000 2.587 -2.684 32 HB3 GLU 6 HB1 GLU 6 -7.118 1.240 -2.762 33 HG2 GLU 6 HG2 GLU 6 -7.415 3.912 -4.111 34 HG3 GLU 6 HG1 GLU 6 -7.047 2.367 -4.873 35 H LYS 7 H LYS 7 -10.116 2.556 -2.294 36 HA LYS 7 HA LYS 7 -11.087 0.954 -0.094 37 HB2 LYS 7 HB2 LYS 7 -13.274 1.339 -1.020 38 HB3 LYS 7 HB1 LYS 7 -12.378 2.845 -0.892 39 HG2 LYS 7 HG2 LYS 7 -11.794 2.515 -3.354 40 HG3 LYS 7 HG1 LYS 7 -13.038 1.268 -3.362 41 HD2 LYS 7 HD2 LYS 7 -14.122 3.230 -4.084 42 HD3 LYS 7 HD1 LYS 7 -14.551 2.990 -2.377 43 HE2 LYS 7 HE2 LYS 7 -14.011 5.343 -2.833 44 HE3 LYS 7 HE1 LYS 7 -12.897 4.625 -1.682 45 HZ1 LYS 7 HZ1 LYS 7 -12.361 5.105 -4.573 46 HZ2 LYS 7 HZ2 LYS 7 -11.268 4.357 -3.543 47 HZ3 LYS 7 HZ3 LYS 7 -11.716 5.952 -3.284 48 H ASN 8 H ASN 8 -10.360 0.551 -3.415 49 HA ASN 8 HA ASN 8 -11.584 -2.115 -3.464 50 HB2 ASN 8 HB2 ASN 8 -10.411 -0.472 -5.712 51 HB3 ASN 8 HB1 ASN 8 -11.050 -2.098 -5.915 52 HD21 ASN 8 HD21 ASN 8 -11.909 0.435 -7.095 53 HD22 ASN 8 HD22 ASN 8 -13.565 0.615 -6.675 54 H PHE 9 H PHE 9 -8.568 -0.624 -3.229 55 HA PHE 9 HA PHE 9 -7.010 -3.004 -3.902 56 HB2 PHE 9 HB2 PHE 9 -6.260 -0.543 -4.138 57 HB3 PHE 9 HB1 PHE 9 -6.089 -0.583 -2.386 58 HD1 PHE 9 HD1 PHE 9 -5.074 -2.345 -5.442 59 HD2 PHE 9 HD2 PHE 9 -4.146 -1.378 -1.431 60 HE1 PHE 9 HE1 PHE 9 -2.913 -3.352 -5.731 61 HE2 PHE 9 HE2 PHE 9 -1.931 -2.381 -1.689 62 HZ PHE 9 HZ PHE 9 -1.278 -3.365 -3.835 63 H ASP 10 H ASP 10 -6.600 -4.583 -2.413 64 HA ASP 10 HA ASP 10 -7.644 -4.081 0.237 65 HB2 ASP 10 HB2 ASP 10 -8.062 -6.286 -0.925 66 HB3 ASP 10 HB1 ASP 10 -6.354 -6.654 -0.670 67 H CYS 11 H CYS 11 -6.480 -3.059 1.544 68 HA CYS 11 HA CYS 11 -3.666 -2.798 1.348 69 HB2 CYS 11 HB2 CYS 11 -5.509 -1.877 3.576 70 HB3 CYS 11 HB1 CYS 11 -3.884 -1.311 3.227 71 H ARG 12 H ARG 12 -5.778 -4.894 3.136 72 HA ARG 12 HA ARG 12 -3.894 -5.382 5.273 73 HB2 ARG 12 HB2 ARG 12 -6.356 -6.967 4.548 74 HB3 ARG 12 HB1 ARG 12 -5.475 -7.030 6.067 75 HG2 ARG 12 HG2 ARG 12 -7.019 -4.688 4.991 76 HG3 ARG 12 HG1 ARG 12 -7.505 -5.748 6.314 77 HD2 ARG 12 HD2 ARG 12 -5.611 -4.979 7.636 78 HD3 ARG 12 HD1 ARG 12 -5.057 -3.986 6.290 79 HE ARG 12 HE ARG 12 -7.707 -3.358 6.929 80 HH11 ARG 12 HH11 ARG 12 -4.441 -2.952 8.281 81 HH12 ARG 12 HH12 ARG 12 -4.757 -1.429 8.963 82 HH21 ARG 12 HH21 ARG 12 -8.151 -1.266 7.952 83 HH22 ARG 12 HH22 ARG 12 -6.911 -0.457 8.771 84 H ARG 13 H ARG 13 -5.099 -7.124 2.493 85 HA ARG 13 HA ARG 13 -3.579 -9.459 2.732 86 HB2 ARG 13 HB2 ARG 13 -5.493 -9.103 1.199 87 HB3 ARG 13 HB1 ARG 13 -4.482 -8.041 0.236 88 HG2 ARG 13 HG2 ARG 13 -2.952 -9.966 -0.150 89 HG3 ARG 13 HG1 ARG 13 -4.140 -10.994 0.660 90 HD2 ARG 13 HD2 ARG 13 -4.586 -9.316 -1.785 91 HD3 ARG 13 HD1 ARG 13 -4.461 -11.080 -1.739 92 HE ARG 13 HE ARG 13 -6.468 -10.682 -0.090 93 HH11 ARG 13 HH11 ARG 13 -5.892 -9.092 -3.217 94 HH12 ARG 13 HH12 ARG 13 -7.530 -8.969 -3.621 95 HH21 ARG 13 HH21 ARG 13 -8.769 -10.538 -0.682 96 HH22 ARG 13 HH22 ARG 13 -9.207 -9.834 -2.151 97 H SER 14 H SER 14 -3.006 -6.468 0.933 98 HA SER 14 HA SER 14 -0.539 -7.189 -0.157 99 HB2 SER 14 HB2 SER 14 -1.526 -4.414 0.534 100 HB3 SER 14 HB1 SER 14 -0.252 -4.804 -0.625 101 HG SER 14 HG SER 14 -3.021 -5.114 -0.832 102 H LEU 15 H LEU 15 -1.305 -5.765 2.969 103 HA LEU 15 HA LEU 15 1.386 -5.219 3.704 104 HB2 LEU 15 HB2 LEU 15 -0.603 -4.150 4.736 105 HB3 LEU 15 HB1 LEU 15 -1.027 -5.686 5.453 106 HG LEU 15 HG LEU 15 1.084 -5.640 6.745 107 HD11 LEU 15 HD11 LEU 15 1.354 -2.865 5.606 108 HD12 LEU 15 HD12 LEU 15 2.394 -4.250 5.273 109 HD13 LEU 15 HD13 LEU 15 2.349 -3.555 6.894 110 HD21 LEU 15 HD21 LEU 15 -0.998 -4.865 7.733 111 HD22 LEU 15 HD22 LEU 15 -0.705 -3.240 7.109 112 HD23 LEU 15 HD23 LEU 15 0.370 -3.924 8.332 113 H ARG 16 H ARG 16 -0.865 -7.915 4.221 114 HA ARG 16 HA ARG 16 0.734 -9.445 5.882 115 HB2 ARG 16 HB2 ARG 16 -1.641 -9.662 5.774 116 HB3 ARG 16 HB1 ARG 16 -1.583 -10.018 4.060 117 HG2 ARG 16 HG2 ARG 16 -2.041 -11.961 5.351 118 HG3 ARG 16 HG1 ARG 16 -0.486 -12.057 4.493 119 HD2 ARG 16 HD2 ARG 16 -0.360 -12.949 6.838 120 HD3 ARG 16 HD1 ARG 16 0.730 -11.600 6.527 121 HE ARG 16 HE ARG 16 -1.761 -10.725 7.555 122 HH11 ARG 16 HH11 ARG 16 1.332 -12.134 8.555 123 HH12 ARG 16 HH12 ARG 16 1.241 -11.552 10.142 124 HH21 ARG 16 HH21 ARG 16 -1.860 -9.915 9.724 125 HH22 ARG 16 HH22 ARG 16 -0.607 -10.259 10.834 126 H ASN 17 H ASN 17 0.404 -9.222 2.393 127 HA ASN 17 HA ASN 17 1.914 -11.541 1.693 128 HB2 ASN 17 HB2 ASN 17 1.586 -8.963 0.140 129 HB3 ASN 17 HB1 ASN 17 2.256 -10.448 -0.493 130 HD21 ASN 17 HD21 ASN 17 0.080 -8.816 -1.322 131 HD22 ASN 17 HD22 ASN 17 -1.324 -9.833 -1.419 132 H GLY 18 H GLY 18 2.638 -8.153 2.053 133 HA2 GLY 18 HA2 GLY 18 4.761 -7.479 3.021 134 HA3 GLY 18 HA1 GLY 18 5.493 -8.822 2.138 135 H ASP 19 H ASP 19 3.017 -7.115 0.500 136 HA ASP 19 HA ASP 19 4.588 -6.393 -1.692 137 HB2 ASP 19 HB2 ASP 19 1.945 -5.258 -0.749 138 HB3 ASP 19 HB1 ASP 19 2.690 -4.823 -2.275 139 H CYS 20 H CYS 20 3.676 -4.659 1.166 140 HA CYS 20 HA CYS 20 4.746 -2.167 0.228 141 HB2 CYS 20 HB2 CYS 20 2.768 -2.330 1.746 142 HB3 CYS 20 HB1 CYS 20 3.838 -2.899 3.016 143 H ASP 21 H ASP 21 6.286 -4.891 1.338 144 HA ASP 21 HA ASP 21 8.393 -3.307 2.630 145 HB2 ASP 21 HB2 ASP 21 7.487 -5.491 3.632 146 HB3 ASP 21 HB1 ASP 21 8.314 -6.302 2.314 147 H ASN 22 H ASN 22 7.434 -4.463 -0.290 148 HA ASN 22 HA ASN 22 10.039 -5.007 -1.429 149 HB2 ASN 22 HB2 ASN 22 8.150 -6.338 -2.193 150 HB3 ASN 22 HB1 ASN 22 7.232 -4.905 -2.599 151 HD21 ASN 22 HD21 ASN 22 7.942 -7.238 -4.233 152 HD22 ASN 22 HD22 ASN 22 8.808 -6.615 -5.583 153 H ASP 23 H ASP 23 11.276 -3.489 -2.211 154 HA ASP 23 HA ASP 23 10.822 -0.776 -1.901 155 HB2 ASP 23 HB2 ASP 23 13.059 -1.649 -2.021 156 HB3 ASP 23 HB1 ASP 23 12.807 -2.176 -3.680 157 H ASP 24 H ASP 24 10.371 -2.731 -4.798 158 HA ASP 24 HA ASP 24 9.912 -0.378 -6.398 159 HB2 ASP 24 HB2 ASP 24 9.648 -3.310 -7.077 160 HB3 ASP 24 HB1 ASP 24 9.333 -2.008 -8.222 161 H LYS 25 H LYS 25 8.050 -2.331 -4.417 162 HA LYS 25 HA LYS 25 5.580 -1.470 -5.666 163 HB2 LYS 25 HB2 LYS 25 6.266 -3.414 -3.535 164 HB3 LYS 25 HB1 LYS 25 4.627 -2.794 -3.673 165 HG2 LYS 25 HG2 LYS 25 4.390 -3.675 -5.824 166 HG3 LYS 25 HG1 LYS 25 6.113 -4.063 -5.921 167 HD2 LYS 25 HD2 LYS 25 5.955 -5.761 -4.419 168 HD3 LYS 25 HD1 LYS 25 4.461 -5.133 -3.720 169 HE2 LYS 25 HE2 LYS 25 4.649 -6.137 -6.542 170 HE3 LYS 25 HE1 LYS 25 4.239 -7.203 -5.191 171 HZ1 LYS 25 HZ1 LYS 25 2.274 -6.186 -6.431 172 HZ2 LYS 25 HZ2 LYS 25 2.659 -4.709 -5.717 173 HZ3 LYS 25 HZ3 LYS 25 2.305 -6.056 -4.768 174 H LEU 26 H LEU 26 7.722 -0.360 -3.412 175 HA LEU 26 HA LEU 26 6.105 0.814 -1.477 176 HB2 LEU 26 HB2 LEU 26 8.668 1.816 -2.685 177 HB3 LEU 26 HB1 LEU 26 7.873 2.614 -1.337 178 HG LEU 26 HG LEU 26 8.898 -0.220 -1.312 179 HD11 LEU 26 HD11 LEU 26 10.027 2.306 -0.120 180 HD12 LEU 26 HD12 LEU 26 10.711 1.408 -1.475 181 HD13 LEU 26 HD13 LEU 26 10.660 0.679 0.134 182 HD21 LEU 26 HD21 LEU 26 8.543 -0.033 1.101 183 HD22 LEU 26 HD22 LEU 26 7.040 0.128 0.198 184 HD23 LEU 26 HD23 LEU 26 7.823 1.562 0.867 185 H LEU 27 H LEU 27 6.951 2.094 -4.694 186 HA LEU 27 HA LEU 27 5.679 4.524 -4.588 187 HB2 LEU 27 HB2 LEU 27 7.123 3.886 -6.368 188 HB3 LEU 27 HB1 LEU 27 6.121 2.500 -6.758 189 HG LEU 27 HG LEU 27 4.337 4.111 -7.226 190 HD11 LEU 27 HD11 LEU 27 5.046 6.391 -7.968 191 HD12 LEU 27 HD12 LEU 27 6.647 6.057 -7.306 192 HD13 LEU 27 HD13 LEU 27 5.245 6.115 -6.239 193 HD21 LEU 27 HD21 LEU 27 5.150 4.497 -9.536 194 HD22 LEU 27 HD22 LEU 27 5.369 2.863 -8.898 195 HD23 LEU 27 HD23 LEU 27 6.752 3.960 -8.990 196 H GLU 28 H GLU 28 4.552 1.346 -5.555 197 HA GLU 28 HA GLU 28 1.931 1.916 -6.342 198 HB2 GLU 28 HB2 GLU 28 3.074 -0.169 -6.908 199 HB3 GLU 28 HB1 GLU 28 3.204 -0.589 -5.218 200 HG2 GLU 28 HG2 GLU 28 0.828 -0.943 -5.069 201 HG3 GLU 28 HG1 GLU 28 0.609 -0.365 -6.723 202 H MET 29 H MET 29 3.372 1.282 -3.273 203 HA MET 29 HA MET 29 0.820 0.939 -1.950 204 HB2 MET 29 HB2 MET 29 3.641 0.850 -0.939 205 HB3 MET 29 HB1 MET 29 2.247 0.671 0.122 206 HG2 MET 29 HG2 MET 29 3.095 -1.127 -2.144 207 HG3 MET 29 HG1 MET 29 3.085 -1.486 -0.418 208 HE1 MET 29 HE1 MET 29 0.820 -1.523 1.022 209 HE2 MET 29 HE2 MET 29 -0.792 -1.444 0.293 210 HE3 MET 29 3HE MET 29 0.277 -0.028 0.253 211 H GLY 30 H GLY 30 3.066 3.357 -2.514 212 HA2 GLY 30 HA2 GLY 30 2.491 5.154 -0.401 213 HA3 GLY 30 HA1 GLY 30 3.209 5.586 -1.946 214 H TYR 31 H TYR 31 0.933 4.529 -3.436 215 HA TYR 31 HA TYR 31 -0.892 6.663 -2.751 216 HB2 TYR 31 HB2 TYR 31 -1.770 6.577 -5.078 217 HB3 TYR 31 HB1 TYR 31 -0.098 7.092 -4.855 218 HD1 TYR 31 HD1 TYR 31 -2.198 4.252 -5.907 219 HD2 TYR 31 HD2 TYR 31 1.595 6.120 -6.048 220 HE1 TYR 31 HE1 TYR 31 -1.531 2.732 -7.666 221 HE2 TYR 31 HE2 TYR 31 2.299 4.609 -7.798 222 HH TYR 31 HH TYR 31 0.034 2.579 -9.429 223 H TYR 32 H TYR 32 -0.830 3.321 -3.385 224 HA TYR 32 HA TYR 32 -3.660 3.057 -3.250 225 HB2 TYR 32 HB2 TYR 32 -1.505 0.980 -3.170 226 HB3 TYR 32 HB1 TYR 32 -3.152 0.545 -2.764 227 HD1 TYR 32 HD1 TYR 32 -0.972 0.299 -5.289 228 HD2 TYR 32 HD2 TYR 32 -4.835 1.888 -4.562 229 HE1 TYR 32 HE1 TYR 32 -1.509 0.070 -7.670 230 HE2 TYR 32 HE2 TYR 32 -5.395 1.680 -6.905 231 HH TYR 32 HH TYR 32 -4.296 1.513 -9.040 232 H CYS 33 H CYS 33 -1.270 2.087 -0.775 233 HA CYS 33 HA CYS 33 -3.398 2.669 1.140 234 HB2 CYS 33 HB2 CYS 33 -1.760 0.147 1.173 235 HB3 CYS 33 HB1 CYS 33 -2.949 0.633 2.383 236 HA PRO 34 HA PRO 34 0.713 4.409 2.190 237 HB2 PRO 34 HB2 PRO 34 -0.010 6.981 2.515 238 HB3 PRO 34 HB1 PRO 34 0.308 6.286 0.919 239 HG2 PRO 34 HG2 PRO 34 -2.313 6.743 2.289 240 HG3 PRO 34 HG1 PRO 34 -1.868 7.088 0.609 241 HD2 PRO 34 HD2 PRO 34 -3.247 4.890 1.369 242 HD3 PRO 34 HD1 PRO 34 -2.160 4.904 -0.036 243 H VAL 35 H VAL 35 -2.387 4.587 3.670 244 HA VAL 35 HA VAL 35 -1.338 5.668 6.092 245 HB VAL 35 HB VAL 35 -4.118 4.626 5.533 246 HG11 VAL 35 HG11 VAL 35 -4.785 5.971 7.478 247 HG12 VAL 35 HG12 VAL 35 -3.096 6.399 7.754 248 HG13 VAL 35 3HG1 VAL 35 -3.619 4.724 7.926 249 HG21 VAL 35 HG21 VAL 35 -4.700 6.993 5.180 250 HG22 VAL 35 HG22 VAL 35 -3.477 6.426 4.037 251 HG23 VAL 35 HG23 VAL 35 -3.000 7.420 5.402 252 H THR 36 H THR 36 -2.487 2.649 4.803 253 HA THR 36 HA THR 36 -2.209 1.021 7.072 254 HB THR 36 HB THR 36 -1.838 0.267 4.159 255 HG1 THR 36 HG1 THR 36 -3.825 1.254 4.464 256 HG21 THR 36 HG21 THR 36 -2.572 -1.993 4.866 257 HG22 THR 36 HG22 THR 36 -2.669 -1.443 6.535 258 HG23 THR 36 HG23 THR 36 -1.108 -1.517 5.721 259 H CYS 37 H CYS 37 0.156 2.077 4.658 260 HA CYS 37 HA CYS 37 2.238 0.485 5.857 261 HB2 CYS 37 HB2 CYS 37 2.289 2.514 3.635 262 HB3 CYS 37 HB1 CYS 37 3.717 1.657 4.203 263 H GLY 38 H GLY 38 0.789 3.163 6.906 264 HA2 GLY 38 HA2 GLY 38 1.292 4.570 8.621 265 HA3 GLY 38 HA1 GLY 38 2.787 3.678 8.826 266 H PHE 39 H PHE 39 2.059 5.251 5.770 267 HA PHE 39 HA PHE 39 4.430 6.862 6.044 268 HB2 PHE 39 HB2 PHE 39 2.258 7.032 3.935 269 HB3 PHE 39 HB1 PHE 39 3.816 7.833 3.868 270 HD1 PHE 39 HD1 PHE 39 5.703 5.741 4.557 271 HD2 PHE 39 HD2 PHE 39 2.160 5.567 2.267 272 HE1 PHE 39 HE1 PHE 39 6.630 3.827 3.308 273 HE2 PHE 39 HE2 PHE 39 3.059 3.627 1.000 274 HZ PHE 39 HZ PHE 39 5.303 2.767 1.528 275 HA CYS 40 HA CYS 40 1.265 9.616 7.830 276 HB2 CYS 40 HB2 CYS 40 -0.354 10.837 6.233 277 HB3 CYS 40 HB1 CYS 40 1.349 10.747 5.780 278 HN1 NH2 41 H1 CYS 40 0.298 8.339 9.366 279 HN2 NH2 41 H2 CYS 40 -1.344 7.814 9.296 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 -5.388 18.188 -0.003 2 H2 GLU 1 HT2 GLU 1 -4.588 17.380 1.269 3 H3 GLU 1 HT3 GLU 1 -6.143 17.979 1.492 4 HA GLU 1 HA GLU 1 -7.083 16.460 0.036 5 HB2 GLU 1 HB2 GLU 1 -5.686 14.646 -0.940 6 HB3 GLU 1 HB1 GLU 1 -5.286 16.224 -1.594 7 HG2 GLU 1 HG2 GLU 1 -3.345 16.324 -0.087 8 HG3 GLU 1 HG1 GLU 1 -3.746 14.712 0.505 9 H HIS 2 H HIS 2 -7.133 13.953 0.566 10 HA HIS 2 HA HIS 2 -6.610 13.758 3.439 11 HB2 HIS 2 HB2 HIS 2 -8.622 12.286 1.713 12 HB3 HIS 2 HB1 HIS 2 -8.331 11.926 3.403 13 HD1 HIS 2 HD1 HIS 2 -9.588 13.372 5.116 14 HD2 HIS 2 HD2 HIS 2 -9.863 14.793 1.224 15 HE1 HIS 2 HE1 HIS 2 -11.355 15.154 5.151 16 H CYS 3 H CYS 3 -4.746 12.664 3.801 17 HA CYS 3 HA CYS 3 -3.812 10.792 1.907 18 HB2 CYS 3 HB2 CYS 3 -2.051 10.257 3.588 19 HB3 CYS 3 HB1 CYS 3 -2.175 11.979 3.271 20 H ALA 4 H ALA 4 -4.959 9.053 1.546 21 HA ALA 4 HA ALA 4 -5.632 7.296 3.745 22 HB1 ALA 4 HB1 ALA 4 -7.605 8.735 3.522 23 HB2 ALA 4 HB2 ALA 4 -7.957 7.080 3.027 24 HB3 ALA 4 HB3 ALA 4 -7.707 8.329 1.807 25 H ASP 5 H ASP 5 -5.767 5.217 3.123 26 HA ASP 5 HA ASP 5 -4.415 4.371 0.783 27 HB2 ASP 5 HB2 ASP 5 -6.281 2.660 2.419 28 HB3 ASP 5 HB1 ASP 5 -4.876 2.150 1.494 29 H GLU 6 H GLU 6 -5.304 2.967 -0.879 30 HA GLU 6 HA GLU 6 -7.636 4.113 -2.066 31 HB2 GLU 6 HB2 GLU 6 -5.480 3.078 -3.149 32 HB3 GLU 6 HB1 GLU 6 -6.296 1.546 -2.936 33 HG2 GLU 6 HG2 GLU 6 -7.434 3.837 -4.533 34 HG3 GLU 6 HG1 GLU 6 -6.431 2.573 -5.219 35 H LYS 7 H LYS 7 -9.675 3.130 -2.251 36 HA LYS 7 HA LYS 7 -10.287 1.609 0.084 37 HB2 LYS 7 HB2 LYS 7 -12.603 2.129 -0.492 38 HB3 LYS 7 HB1 LYS 7 -11.573 3.551 -0.365 39 HG2 LYS 7 HG2 LYS 7 -11.343 3.436 -2.881 40 HG3 LYS 7 HG1 LYS 7 -12.643 2.251 -2.847 41 HD2 LYS 7 HD2 LYS 7 -12.748 5.028 -1.757 42 HD3 LYS 7 HD1 LYS 7 -13.472 4.505 -3.286 43 HE2 LYS 7 HE2 LYS 7 -14.873 2.925 -2.006 44 HE3 LYS 7 HE1 LYS 7 -14.157 3.558 -0.523 45 HZ1 LYS 7 HZ1 LYS 7 -15.044 5.725 -1.050 46 HZ2 LYS 7 HZ2 LYS 7 -16.300 4.603 -0.983 47 HZ3 LYS 7 HZ3 LYS 7 -15.735 5.143 -2.470 48 H ASN 8 H ASN 8 -10.095 1.045 -3.243 49 HA ASN 8 HA ASN 8 -11.638 -1.441 -3.070 50 HB2 ASN 8 HB2 ASN 8 -10.199 -0.228 -5.443 51 HB3 ASN 8 HB1 ASN 8 -11.212 -1.666 -5.496 52 HD21 ASN 8 HD21 ASN 8 -11.136 1.786 -5.206 53 HD22 ASN 8 HD22 ASN 8 -12.831 2.044 -5.437 54 H PHE 9 H PHE 9 -8.440 -0.298 -3.338 55 HA PHE 9 HA PHE 9 -7.143 -2.838 -3.659 56 HB2 PHE 9 HB2 PHE 9 -6.273 -0.484 -4.235 57 HB3 PHE 9 HB1 PHE 9 -6.012 -0.329 -2.498 58 HD1 PHE 9 HD1 PHE 9 -5.338 -2.726 -5.212 59 HD2 PHE 9 HD2 PHE 9 -3.954 -0.820 -1.701 60 HE1 PHE 9 HE1 PHE 9 -3.225 -3.843 -5.474 61 HE2 PHE 9 HE2 PHE 9 -1.788 -1.927 -1.943 62 HZ PHE 9 HZ PHE 9 -1.387 -3.431 -3.825 63 H ASP 10 H ASP 10 -7.088 -4.282 -2.060 64 HA ASP 10 HA ASP 10 -7.621 -3.385 0.636 65 HB2 ASP 10 HB2 ASP 10 -8.729 -5.456 -0.256 66 HB3 ASP 10 HB1 ASP 10 -7.146 -6.227 -0.292 67 H CYS 11 H CYS 11 -5.898 -2.382 1.345 68 HA CYS 11 HA CYS 11 -3.237 -3.212 0.848 69 HB2 CYS 11 HB2 CYS 11 -4.350 -1.227 2.813 70 HB3 CYS 11 HB1 CYS 11 -2.631 -1.501 2.554 71 H ARG 12 H ARG 12 -5.559 -4.142 3.147 72 HA ARG 12 HA ARG 12 -3.767 -4.948 5.209 73 HB2 ARG 12 HB2 ARG 12 -6.486 -6.040 4.502 74 HB3 ARG 12 HB1 ARG 12 -5.640 -6.327 6.017 75 HG2 ARG 12 HG2 ARG 12 -6.692 -3.697 5.002 76 HG3 ARG 12 HG1 ARG 12 -7.358 -4.681 6.306 77 HD2 ARG 12 HD2 ARG 12 -5.321 -4.357 7.593 78 HD3 ARG 12 HD1 ARG 12 -4.625 -3.403 6.283 79 HE ARG 12 HE ARG 12 -7.123 -2.403 7.238 80 HH11 ARG 12 HH11 ARG 12 -3.637 -2.354 7.808 81 HH12 ARG 12 HH12 ARG 12 -3.643 -0.868 8.641 82 HH21 ARG 12 HH21 ARG 12 -7.128 -0.356 8.433 83 HH22 ARG 12 HH22 ARG 12 -5.663 0.289 8.980 84 H ARG 13 H ARG 13 -5.263 -6.572 2.484 85 HA ARG 13 HA ARG 13 -3.967 -9.036 2.779 86 HB2 ARG 13 HB2 ARG 13 -5.938 -8.631 1.289 87 HB3 ARG 13 HB1 ARG 13 -4.896 -7.733 0.199 88 HG2 ARG 13 HG2 ARG 13 -3.614 -9.719 -0.287 89 HG3 ARG 13 HG1 ARG 13 -4.521 -10.633 0.915 90 HD2 ARG 13 HD2 ARG 13 -5.385 -11.205 -1.245 91 HD3 ARG 13 HD1 ARG 13 -6.587 -10.217 -0.429 92 HE ARG 13 HE ARG 13 -4.931 -8.596 -2.044 93 HH11 ARG 13 HH11 ARG 13 -7.619 -10.918 -2.301 94 HH12 ARG 13 HH12 ARG 13 -8.118 -10.375 -3.835 95 HH21 ARG 13 HH21 ARG 13 -5.610 -7.911 -4.210 96 HH22 ARG 13 HH22 ARG 13 -6.953 -8.633 -4.940 97 H SER 14 H SER 14 -3.091 -6.174 0.818 98 HA SER 14 HA SER 14 -0.780 -7.157 -0.352 99 HB2 SER 14 HB2 SER 14 -1.278 -4.311 0.517 100 HB3 SER 14 HB1 SER 14 -0.270 -4.860 -0.827 101 HG SER 14 HG SER 14 -1.983 -4.935 -2.014 102 H LEU 15 H LEU 15 -1.190 -5.564 2.787 103 HA LEU 15 HA LEU 15 1.519 -5.305 3.478 104 HB2 LEU 15 HB2 LEU 15 -0.361 -4.128 4.579 105 HB3 LEU 15 HB1 LEU 15 -0.875 -5.645 5.281 106 HG LEU 15 HG LEU 15 1.283 -5.746 6.523 107 HD11 LEU 15 HD11 LEU 15 1.634 -2.959 5.438 108 HD12 LEU 15 HD12 LEU 15 2.627 -4.378 5.082 109 HD13 LEU 15 HD13 LEU 15 2.611 -3.700 6.707 110 HD21 LEU 15 HD21 LEU 15 -0.396 -3.290 6.978 111 HD22 LEU 15 HD22 LEU 15 0.676 -4.044 8.162 112 HD23 LEU 15 HD23 LEU 15 -0.740 -4.916 7.568 113 H ARG 16 H ARG 16 -0.828 -7.853 4.030 114 HA ARG 16 HA ARG 16 1.009 -9.465 5.526 115 HB2 ARG 16 HB2 ARG 16 -1.716 -10.013 4.387 116 HB3 ARG 16 HB1 ARG 16 -0.798 -11.201 5.303 117 HG2 ARG 16 HG2 ARG 16 -0.810 -9.794 7.244 118 HG3 ARG 16 HG1 ARG 16 -1.586 -8.496 6.333 119 HD2 ARG 16 HD2 ARG 16 -2.787 -11.219 6.765 120 HD3 ARG 16 HD1 ARG 16 -3.139 -9.812 7.766 121 HE ARG 16 HE ARG 16 -3.811 -8.750 5.593 122 HH11 ARG 16 HH11 ARG 16 -4.128 -12.252 6.069 123 HH12 ARG 16 HH12 ARG 16 -5.602 -12.390 5.234 124 HH21 ARG 16 HH21 ARG 16 -5.902 -8.967 4.390 125 HH22 ARG 16 HH22 ARG 16 -6.601 -10.505 4.278 126 H ASN 17 H ASN 17 0.078 -9.167 2.239 127 HA ASN 17 HA ASN 17 1.163 -11.619 1.260 128 HB2 ASN 17 HB2 ASN 17 0.399 -9.044 -0.073 129 HB3 ASN 17 HB1 ASN 17 1.294 -10.254 -0.972 130 HD21 ASN 17 HD21 ASN 17 -1.058 -11.214 1.448 131 HD22 ASN 17 HD22 ASN 17 -2.233 -11.779 0.335 132 H GLY 18 H GLY 18 2.538 -8.598 2.060 133 HA2 GLY 18 HA2 GLY 18 4.882 -8.505 2.616 134 HA3 GLY 18 HA1 GLY 18 5.166 -9.728 1.392 135 H ASP 19 H ASP 19 2.993 -7.495 0.221 136 HA ASP 19 HA ASP 19 4.943 -6.531 -1.637 137 HB2 ASP 19 HB2 ASP 19 2.000 -5.974 -1.350 138 HB3 ASP 19 HB1 ASP 19 2.992 -5.060 -2.478 139 H CYS 20 H CYS 20 3.595 -5.336 1.260 140 HA CYS 20 HA CYS 20 4.449 -2.641 0.759 141 HB2 CYS 20 HB2 CYS 20 2.446 -3.022 2.099 142 HB3 CYS 20 HB1 CYS 20 3.362 -3.979 3.245 143 H ASP 21 H ASP 21 5.926 -5.474 1.673 144 HA ASP 21 HA ASP 21 8.102 -4.121 3.103 145 HB2 ASP 21 HB2 ASP 21 7.182 -6.170 4.137 146 HB3 ASP 21 HB1 ASP 21 7.540 -7.072 2.674 147 H ASN 22 H ASN 22 7.154 -4.976 0.078 148 HA ASN 22 HA ASN 22 9.773 -5.721 -0.927 149 HB2 ASN 22 HB2 ASN 22 7.658 -6.811 -1.776 150 HB3 ASN 22 HB1 ASN 22 7.211 -5.263 -2.473 151 HD21 ASN 22 HD21 ASN 22 7.656 -7.759 -3.815 152 HD22 ASN 22 HD22 ASN 22 8.942 -7.481 -4.940 153 H ASP 23 H ASP 23 11.143 -4.276 -1.599 154 HA ASP 23 HA ASP 23 10.766 -1.509 -1.518 155 HB2 ASP 23 HB2 ASP 23 12.914 -3.172 -2.820 156 HB3 ASP 23 HB1 ASP 23 12.938 -1.414 -2.850 157 H ASP 24 H ASP 24 10.474 -3.785 -4.099 158 HA ASP 24 HA ASP 24 10.395 -1.973 -6.269 159 HB2 ASP 24 HB2 ASP 24 10.917 -4.229 -6.740 160 HB3 ASP 24 HB1 ASP 24 9.502 -4.816 -5.883 161 H LYS 25 H LYS 25 7.978 -3.145 -4.057 162 HA LYS 25 HA LYS 25 5.853 -2.022 -5.683 163 HB2 LYS 25 HB2 LYS 25 5.689 -3.618 -3.117 164 HB3 LYS 25 HB1 LYS 25 4.334 -3.063 -4.101 165 HG2 LYS 25 HG2 LYS 25 6.437 -4.983 -4.950 166 HG3 LYS 25 HG1 LYS 25 4.798 -5.379 -4.425 167 HD2 LYS 25 HD2 LYS 25 3.970 -3.886 -6.239 168 HD3 LYS 25 HD1 LYS 25 5.628 -3.787 -6.826 169 HE2 LYS 25 HE2 LYS 25 4.617 -5.502 -8.063 170 HE3 LYS 25 HE1 LYS 25 5.694 -6.209 -6.838 171 HZ1 LYS 25 HZ1 LYS 25 3.578 -7.434 -6.967 172 HZ2 LYS 25 HZ2 LYS 25 2.733 -6.046 -6.600 173 HZ3 LYS 25 HZ3 LYS 25 3.745 -6.722 -5.453 174 H LEU 26 H LEU 26 7.938 -0.816 -3.431 175 HA LEU 26 HA LEU 26 6.247 0.454 -1.608 176 HB2 LEU 26 HB2 LEU 26 8.993 1.264 -2.516 177 HB3 LEU 26 HB1 LEU 26 8.129 2.057 -1.214 178 HG LEU 26 HG LEU 26 8.972 -0.829 -1.263 179 HD11 LEU 26 HD11 LEU 26 10.850 0.709 -1.013 180 HD12 LEU 26 HD12 LEU 26 10.544 -0.161 0.491 181 HD13 LEU 26 HD13 LEU 26 10.023 1.515 0.320 182 HD21 LEU 26 HD21 LEU 26 6.934 -0.563 0.010 183 HD22 LEU 26 HD22 LEU 26 7.628 0.800 0.883 184 HD23 LEU 26 HD23 LEU 26 8.289 -0.819 1.108 185 H LEU 27 H LEU 27 7.312 1.594 -4.797 186 HA LEU 27 HA LEU 27 6.369 4.163 -4.748 187 HB2 LEU 27 HB2 LEU 27 7.617 3.290 -6.577 188 HB3 LEU 27 HB1 LEU 27 6.409 2.042 -6.858 189 HG LEU 27 HG LEU 27 4.830 3.837 -7.282 190 HD11 LEU 27 HD11 LEU 27 7.325 5.522 -7.551 191 HD12 LEU 27 HD12 LEU 27 6.011 5.753 -6.399 192 HD13 LEU 27 HD13 LEU 27 5.729 6.011 -8.119 193 HD21 LEU 27 HD21 LEU 27 7.098 3.432 -9.198 194 HD22 LEU 27 HD22 LEU 27 5.498 4.068 -9.632 195 HD23 LEU 27 HD23 LEU 27 5.659 2.431 -8.986 196 H GLU 28 H GLU 28 4.767 1.151 -5.586 197 HA GLU 28 HA GLU 28 2.208 2.095 -6.236 198 HB2 GLU 28 HB2 GLU 28 2.959 -0.576 -5.037 199 HB3 GLU 28 HB1 GLU 28 1.529 -0.219 -5.991 200 HG2 GLU 28 HG2 GLU 28 4.344 -0.049 -7.040 201 HG3 GLU 28 HG1 GLU 28 3.309 -1.464 -7.198 202 H MET 29 H MET 29 3.780 1.191 -3.276 203 HA MET 29 HA MET 29 1.405 0.976 -1.664 204 HB2 MET 29 HB2 MET 29 4.290 1.261 -0.836 205 HB3 MET 29 HB1 MET 29 2.960 0.923 0.255 206 HG2 MET 29 HG2 MET 29 3.918 -0.875 -1.967 207 HG3 MET 29 HG1 MET 29 4.375 -1.016 -0.281 208 HE1 MET 29 HE1 MET 29 1.893 -1.974 -3.047 209 HE2 MET 29 HE2 MET 29 0.881 -0.686 -2.388 210 HE3 MET 29 3HE MET 29 0.403 -2.368 -2.207 211 H GLY 30 H GLY 30 3.521 3.546 -2.560 212 HA2 GLY 30 HA2 GLY 30 2.852 5.230 -0.385 213 HA3 GLY 30 HA1 GLY 30 3.572 5.786 -1.875 214 H TYR 31 H TYR 31 1.370 4.731 -3.516 215 HA TYR 31 HA TYR 31 -0.529 6.760 -2.715 216 HB2 TYR 31 HB2 TYR 31 -1.342 6.863 -5.013 217 HB3 TYR 31 HB1 TYR 31 0.358 7.303 -4.769 218 HD1 TYR 31 HD1 TYR 31 -1.979 5.164 -6.450 219 HD2 TYR 31 HD2 TYR 31 2.134 5.758 -5.607 220 HE1 TYR 31 HE1 TYR 31 -1.391 3.724 -8.311 221 HE2 TYR 31 HE2 TYR 31 2.739 4.332 -7.433 222 HH TYR 31 HH TYR 31 1.748 2.500 -8.769 223 H TYR 32 H TYR 32 -0.353 3.494 -3.409 224 HA TYR 32 HA TYR 32 -3.211 3.209 -3.214 225 HB2 TYR 32 HB2 TYR 32 -1.074 1.090 -3.456 226 HB3 TYR 32 HB1 TYR 32 -2.739 0.663 -3.139 227 HD1 TYR 32 HD1 TYR 32 -4.276 2.422 -4.819 228 HD2 TYR 32 HD2 TYR 32 -0.572 0.501 -5.644 229 HE1 TYR 32 HE1 TYR 32 -4.793 2.482 -7.206 230 HE2 TYR 32 HE2 TYR 32 -1.081 0.564 -8.054 231 HH TYR 32 HH TYR 32 -3.492 2.495 -9.330 232 H CYS 33 H CYS 33 -0.520 2.831 -0.960 233 HA CYS 33 HA CYS 33 -2.500 2.277 1.143 234 HB2 CYS 33 HB2 CYS 33 0.156 0.899 0.789 235 HB3 CYS 33 HB1 CYS 33 -0.979 0.634 2.104 236 HA PRO 34 HA PRO 34 0.904 5.672 2.072 237 HB2 PRO 34 HB2 PRO 34 -0.874 7.645 2.727 238 HB3 PRO 34 HB1 PRO 34 -0.099 7.452 1.146 239 HG2 PRO 34 HG2 PRO 34 -2.789 6.478 2.055 240 HG3 PRO 34 HG1 PRO 34 -2.387 7.344 0.563 241 HD2 PRO 34 HD2 PRO 34 -2.666 4.725 0.448 242 HD3 PRO 34 HD1 PRO 34 -1.272 5.477 -0.337 243 H VAL 35 H VAL 35 -2.135 4.773 3.607 244 HA VAL 35 HA VAL 35 -1.148 5.756 6.140 245 HB VAL 35 HB VAL 35 -3.769 4.370 5.559 246 HG11 VAL 35 HG11 VAL 35 -2.862 5.933 7.972 247 HG12 VAL 35 HG12 VAL 35 -3.108 4.189 7.902 248 HG13 VAL 35 3HG1 VAL 35 -4.485 5.283 7.723 249 HG21 VAL 35 HG21 VAL 35 -3.535 6.439 4.349 250 HG22 VAL 35 HG22 VAL 35 -3.074 7.278 5.821 251 HG23 VAL 35 HG23 VAL 35 -4.719 6.638 5.650 252 H THR 36 H THR 36 -2.057 2.691 4.686 253 HA THR 36 HA THR 36 -1.604 1.064 6.916 254 HB THR 36 HB THR 36 -1.287 0.269 4.020 255 HG1 THR 36 HG1 THR 36 -3.227 1.278 4.196 256 HG21 THR 36 HG21 THR 36 -2.182 -1.295 6.460 257 HG22 THR 36 HG22 THR 36 -0.623 -1.461 5.654 258 HG23 THR 36 HG23 THR 36 -2.103 -1.922 4.813 259 H CYS 37 H CYS 37 0.615 2.050 4.328 260 HA CYS 37 HA CYS 37 2.757 0.552 5.560 261 HB2 CYS 37 HB2 CYS 37 2.546 2.096 3.015 262 HB3 CYS 37 HB1 CYS 37 4.052 1.319 3.531 263 H GLY 38 H GLY 38 1.510 3.311 6.451 264 HA2 GLY 38 HA2 GLY 38 2.283 4.870 7.933 265 HA3 GLY 38 HA1 GLY 38 3.810 4.020 7.930 266 H PHE 39 H PHE 39 2.147 5.800 5.331 267 HA PHE 39 HA PHE 39 4.528 7.495 5.069 268 HB2 PHE 39 HB2 PHE 39 2.043 7.274 3.328 269 HB3 PHE 39 HB1 PHE 39 3.372 8.375 3.016 270 HD1 PHE 39 HD1 PHE 39 5.404 7.604 2.028 271 HD2 PHE 39 HD2 PHE 39 2.311 4.884 3.041 272 HE1 PHE 39 HE1 PHE 39 6.524 5.873 0.697 273 HE2 PHE 39 HE2 PHE 39 3.445 3.121 1.680 274 HZ PHE 39 HZ PHE 39 5.540 3.628 0.528 275 HA CYS 40 HA CYS 40 1.356 10.020 7.160 276 HB2 CYS 40 HB2 CYS 40 0.737 10.629 4.791 277 HB3 CYS 40 HB1 CYS 40 -0.695 9.624 4.985 278 HN1 NH2 41 H1 CYS 40 0.923 8.760 8.961 279 HN2 NH2 41 H2 CYS 40 -0.563 7.921 9.213 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 -2.482 16.869 -0.718 2 H2 GLU 1 HT2 GLU 1 -2.772 16.424 0.902 3 H3 GLU 1 HT3 GLU 1 -4.057 16.787 -0.103 4 HA GLU 1 HA GLU 1 -3.679 14.888 -1.430 5 HB2 GLU 1 HB2 GLU 1 -1.178 14.823 -1.091 6 HB3 GLU 1 HB1 GLU 1 -1.459 14.274 0.548 7 HG2 GLU 1 HG2 GLU 1 -0.856 12.455 -1.008 8 HG3 GLU 1 HG1 GLU 1 -2.416 12.228 -0.213 9 H HIS 2 H HIS 2 -4.746 12.974 -0.829 10 HA HIS 2 HA HIS 2 -5.969 13.189 1.821 11 HB2 HIS 2 HB2 HIS 2 -6.766 11.487 -0.553 12 HB3 HIS 2 HB1 HIS 2 -7.611 11.560 0.986 13 HD1 HIS 2 HD1 HIS 2 -7.856 12.870 -2.302 14 HD2 HIS 2 HD2 HIS 2 -8.409 14.426 1.503 15 HE1 HIS 2 HE1 HIS 2 -9.319 14.891 -2.585 16 H CYS 3 H CYS 3 -4.890 12.134 3.297 17 HA CYS 3 HA CYS 3 -3.392 9.779 2.607 18 HB2 CYS 3 HB2 CYS 3 -3.667 11.167 5.268 19 HB3 CYS 3 HB1 CYS 3 -2.526 9.885 4.860 20 H ALA 4 H ALA 4 -5.049 8.407 2.087 21 HA ALA 4 HA ALA 4 -6.118 6.957 4.350 22 HB1 ALA 4 HB1 ALA 4 -8.408 6.932 3.479 23 HB2 ALA 4 HB2 ALA 4 -7.926 8.009 2.170 24 HB3 ALA 4 HB3 ALA 4 -7.904 8.588 3.837 25 H ASP 5 H ASP 5 -6.048 4.848 3.929 26 HA ASP 5 HA ASP 5 -4.817 3.825 1.606 27 HB2 ASP 5 HB2 ASP 5 -6.609 2.290 3.498 28 HB3 ASP 5 HB1 ASP 5 -5.430 1.606 2.395 29 H GLU 6 H GLU 6 -5.575 2.862 -0.225 30 HA GLU 6 HA GLU 6 -7.990 3.782 -1.258 31 HB2 GLU 6 HB2 GLU 6 -6.066 3.424 -2.665 32 HB3 GLU 6 HB1 GLU 6 -6.005 1.730 -2.245 33 HG2 GLU 6 HG2 GLU 6 -6.846 2.185 -4.499 34 HG3 GLU 6 HG1 GLU 6 -7.980 1.289 -3.491 35 H LYS 7 H LYS 7 -9.859 2.807 -1.710 36 HA LYS 7 HA LYS 7 -10.682 0.693 0.066 37 HB2 LYS 7 HB2 LYS 7 -12.941 1.335 -0.583 38 HB3 LYS 7 HB1 LYS 7 -12.008 2.732 -0.078 39 HG2 LYS 7 HG2 LYS 7 -11.608 3.258 -2.477 40 HG3 LYS 7 HG1 LYS 7 -12.681 1.931 -2.902 41 HD2 LYS 7 HD2 LYS 7 -14.058 3.816 -2.998 42 HD3 LYS 7 HD1 LYS 7 -14.362 3.075 -1.416 43 HE2 LYS 7 HE2 LYS 7 -14.182 5.526 -1.225 44 HE3 LYS 7 HE1 LYS 7 -12.911 4.696 -0.333 45 HZ1 LYS 7 HZ1 LYS 7 -12.119 6.632 -1.601 46 HZ2 LYS 7 HZ2 LYS 7 -12.522 5.855 -3.050 47 HZ3 LYS 7 HZ3 LYS 7 -11.353 5.215 -2.041 48 H ASN 8 H ASN 8 -10.133 1.220 -3.234 49 HA ASN 8 HA ASN 8 -11.438 -1.258 -4.096 50 HB2 ASN 8 HB2 ASN 8 -9.836 0.753 -5.695 51 HB3 ASN 8 HB1 ASN 8 -10.639 -0.650 -6.385 52 HD21 ASN 8 HD21 ASN 8 -11.049 2.510 -5.018 53 HD22 ASN 8 HD22 ASN 8 -12.698 2.703 -5.478 54 H PHE 9 H PHE 9 -8.566 -0.463 -2.816 55 HA PHE 9 HA PHE 9 -7.009 -2.656 -4.076 56 HB2 PHE 9 HB2 PHE 9 -6.253 -0.190 -4.141 57 HB3 PHE 9 HB1 PHE 9 -6.046 -0.361 -2.403 58 HD1 PHE 9 HD1 PHE 9 -4.056 -1.162 -1.566 59 HD2 PHE 9 HD2 PHE 9 -5.112 -1.866 -5.602 60 HE1 PHE 9 HE1 PHE 9 -1.828 -2.084 -1.979 61 HE2 PHE 9 HE2 PHE 9 -2.950 -2.787 -6.045 62 HZ PHE 9 HZ PHE 9 -1.236 -2.891 -4.216 63 H ASP 10 H ASP 10 -6.213 -4.190 -2.502 64 HA ASP 10 HA ASP 10 -7.355 -3.645 0.123 65 HB2 ASP 10 HB2 ASP 10 -8.144 -5.776 -0.968 66 HB3 ASP 10 HB1 ASP 10 -6.500 -6.394 -0.802 67 H CYS 11 H CYS 11 -5.999 -2.579 1.177 68 HA CYS 11 HA CYS 11 -3.206 -2.805 1.029 69 HB2 CYS 11 HB2 CYS 11 -4.978 -1.495 3.078 70 HB3 CYS 11 HB1 CYS 11 -3.236 -1.256 2.943 71 H ARG 12 H ARG 12 -5.516 -4.586 2.765 72 HA ARG 12 HA ARG 12 -3.843 -5.236 5.016 73 HB2 ARG 12 HB2 ARG 12 -6.307 -6.756 4.135 74 HB3 ARG 12 HB1 ARG 12 -5.687 -6.552 5.769 75 HG2 ARG 12 HG2 ARG 12 -6.986 -4.409 4.074 76 HG3 ARG 12 HG1 ARG 12 -7.705 -5.230 5.455 77 HD2 ARG 12 HD2 ARG 12 -6.378 -4.102 6.977 78 HD3 ARG 12 HD1 ARG 12 -5.124 -3.755 5.785 79 HE ARG 12 HE ARG 12 -7.744 -2.467 5.505 80 HH11 ARG 12 HH11 ARG 12 -4.355 -2.176 6.446 81 HH12 ARG 12 HH12 ARG 12 -4.218 -0.534 6.071 82 HH21 ARG 12 HH21 ARG 12 -7.592 -0.120 5.054 83 HH22 ARG 12 HH22 ARG 12 -6.126 0.686 5.338 84 H ARG 13 H ARG 13 -5.051 -6.868 2.119 85 HA ARG 13 HA ARG 13 -3.550 -9.217 2.271 86 HB2 ARG 13 HB2 ARG 13 -5.454 -8.849 0.748 87 HB3 ARG 13 HB1 ARG 13 -4.507 -7.686 -0.153 88 HG2 ARG 13 HG2 ARG 13 -3.010 -9.431 -0.897 89 HG3 ARG 13 HG1 ARG 13 -3.858 -10.613 0.104 90 HD2 ARG 13 HD2 ARG 13 -4.599 -10.780 -2.210 91 HD3 ARG 13 HD1 ARG 13 -5.905 -10.229 -1.168 92 HE ARG 13 HE ARG 13 -4.363 -8.199 -2.553 93 HH11 ARG 13 HH11 ARG 13 -7.393 -10.028 -2.373 94 HH12 ARG 13 HH12 ARG 13 -8.216 -9.077 -3.522 95 HH21 ARG 13 HH21 ARG 13 -5.518 -6.885 -4.141 96 HH22 ARG 13 HH22 ARG 13 -7.120 -7.251 -4.565 97 H SER 14 H SER 14 -2.836 -6.074 0.861 98 HA SER 14 HA SER 14 -0.343 -6.748 -0.264 99 HB2 SER 14 HB2 SER 14 -1.328 -4.059 0.698 100 HB3 SER 14 HB1 SER 14 -0.013 -4.331 -0.448 101 HG SER 14 HG SER 14 -2.770 -4.546 -0.812 102 H LEU 15 H LEU 15 -1.275 -5.862 2.985 103 HA LEU 15 HA LEU 15 1.403 -5.429 3.904 104 HB2 LEU 15 HB2 LEU 15 -0.781 -4.471 4.884 105 HB3 LEU 15 HB1 LEU 15 -1.070 -6.054 5.550 106 HG LEU 15 HG LEU 15 -0.233 -4.413 7.205 107 HD11 LEU 15 HD11 LEU 15 1.504 -5.768 8.231 108 HD12 LEU 15 HD12 LEU 15 1.659 -6.693 6.734 109 HD13 LEU 15 HD13 LEU 15 0.154 -6.747 7.653 110 HD21 LEU 15 HD21 LEU 15 1.205 -3.085 5.754 111 HD22 LEU 15 HD22 LEU 15 2.303 -4.450 5.575 112 HD23 LEU 15 HD23 LEU 15 2.100 -3.684 7.145 113 H ARG 16 H ARG 16 -0.941 -8.034 3.860 114 HA ARG 16 HA ARG 16 0.549 -9.933 5.332 115 HB2 ARG 16 HB2 ARG 16 -1.703 -10.269 3.354 116 HB3 ARG 16 HB1 ARG 16 -1.052 -11.583 4.324 117 HG2 ARG 16 HG2 ARG 16 -1.767 -10.564 6.344 118 HG3 ARG 16 HG1 ARG 16 -2.167 -9.061 5.516 119 HD2 ARG 16 HD2 ARG 16 -4.182 -10.337 6.044 120 HD3 ARG 16 HD1 ARG 16 -3.942 -10.192 4.313 121 HE ARG 16 HE ARG 16 -3.106 -12.483 4.337 122 HH11 ARG 16 HH11 ARG 16 -5.024 -11.498 7.161 123 HH12 ARG 16 HH12 ARG 16 -5.669 -13.056 7.407 124 HH21 ARG 16 HH21 ARG 16 -3.969 -14.563 4.710 125 HH22 ARG 16 HH22 ARG 16 -5.048 -14.848 6.001 126 H ASN 17 H ASN 17 0.193 -9.442 1.812 127 HA ASN 17 HA ASN 17 1.906 -11.541 0.967 128 HB2 ASN 17 HB2 ASN 17 1.439 -8.866 -0.365 129 HB3 ASN 17 HB1 ASN 17 2.227 -10.243 -1.099 130 HD21 ASN 17 HD21 ASN 17 0.042 -8.752 -1.947 131 HD22 ASN 17 HD22 ASN 17 -1.307 -9.815 -2.171 132 H GLY 18 H GLY 18 2.389 -8.240 1.892 133 HA2 GLY 18 HA2 GLY 18 4.419 -7.588 2.978 134 HA3 GLY 18 HA1 GLY 18 5.265 -8.744 1.951 135 H ASP 19 H ASP 19 2.955 -7.225 0.127 136 HA ASP 19 HA ASP 19 4.705 -5.875 -1.634 137 HB2 ASP 19 HB2 ASP 19 1.783 -5.229 -1.136 138 HB3 ASP 19 HB1 ASP 19 2.724 -4.694 -2.513 139 H CYS 20 H CYS 20 2.884 -4.879 1.080 140 HA CYS 20 HA CYS 20 3.136 -2.091 0.946 141 HB2 CYS 20 HB2 CYS 20 1.498 -3.300 2.311 142 HB3 CYS 20 HB1 CYS 20 2.797 -3.890 3.331 143 H ASP 21 H ASP 21 5.429 -4.508 1.991 144 HA ASP 21 HA ASP 21 7.148 -2.363 3.064 145 HB2 ASP 21 HB2 ASP 21 6.534 -4.172 4.669 146 HB3 ASP 21 HB1 ASP 21 7.308 -5.338 3.606 147 H ASN 22 H ASN 22 6.637 -4.304 0.468 148 HA ASN 22 HA ASN 22 9.319 -5.047 -0.222 149 HB2 ASN 22 HB2 ASN 22 7.279 -6.321 -0.960 150 HB3 ASN 22 HB1 ASN 22 6.834 -4.950 -1.960 151 HD21 ASN 22 HD21 ASN 22 7.348 -7.665 -2.762 152 HD22 ASN 22 HD22 ASN 22 8.665 -7.640 -3.868 153 H ASP 23 H ASP 23 10.746 -3.708 -1.005 154 HA ASP 23 HA ASP 23 10.413 -0.994 -1.460 155 HB2 ASP 23 HB2 ASP 23 12.541 -2.850 -2.464 156 HB3 ASP 23 HB1 ASP 23 12.588 -1.113 -2.708 157 H ASP 24 H ASP 24 10.190 -3.637 -3.698 158 HA ASP 24 HA ASP 24 10.326 -2.015 -6.035 159 HB2 ASP 24 HB2 ASP 24 9.341 -4.839 -5.702 160 HB3 ASP 24 HB1 ASP 24 9.647 -4.043 -7.240 161 H LYS 25 H LYS 25 7.786 -2.875 -3.871 162 HA LYS 25 HA LYS 25 5.853 -1.923 -5.831 163 HB2 LYS 25 HB2 LYS 25 5.503 -3.594 -3.360 164 HB3 LYS 25 HB1 LYS 25 4.149 -2.739 -4.078 165 HG2 LYS 25 HG2 LYS 25 4.036 -4.930 -4.866 166 HG3 LYS 25 HG1 LYS 25 4.687 -3.965 -6.191 167 HD2 LYS 25 HD2 LYS 25 6.906 -4.780 -5.741 168 HD3 LYS 25 HD1 LYS 25 6.333 -5.661 -4.320 169 HE2 LYS 25 HE2 LYS 25 4.803 -6.922 -5.790 170 HE3 LYS 25 HE1 LYS 25 5.532 -6.129 -7.184 171 HZ1 LYS 25 HZ1 LYS 25 6.920 -7.907 -5.254 172 HZ2 LYS 25 HZ2 LYS 25 7.668 -7.143 -6.559 173 HZ3 LYS 25 HZ3 LYS 25 6.493 -8.312 -6.823 174 H LEU 26 H LEU 26 7.697 -0.705 -3.399 175 HA LEU 26 HA LEU 26 5.937 0.624 -1.747 176 HB2 LEU 26 HB2 LEU 26 8.726 1.377 -2.510 177 HB3 LEU 26 HB1 LEU 26 7.789 2.322 -1.371 178 HG LEU 26 HG LEU 26 8.551 -0.576 -1.048 179 HD11 LEU 26 HD11 LEU 26 9.984 0.241 0.755 180 HD12 LEU 26 HD12 LEU 26 9.495 1.897 0.397 181 HD13 LEU 26 HD13 LEU 26 10.432 0.985 -0.783 182 HD21 LEU 26 HD21 LEU 26 7.649 -0.305 1.233 183 HD22 LEU 26 HD22 LEU 26 6.417 -0.161 -0.012 184 HD23 LEU 26 HD23 LEU 26 7.039 1.289 0.779 185 H LEU 27 H LEU 27 7.011 1.772 -4.914 186 HA LEU 27 HA LEU 27 6.079 4.355 -4.813 187 HB2 LEU 27 HB2 LEU 27 7.342 3.539 -6.659 188 HB3 LEU 27 HB1 LEU 27 6.148 2.288 -6.977 189 HG LEU 27 HG LEU 27 4.557 4.045 -7.420 190 HD11 LEU 27 HD11 LEU 27 5.426 6.278 -8.156 191 HD12 LEU 27 HD12 LEU 27 7.004 5.816 -7.514 192 HD13 LEU 27 HD13 LEU 27 5.619 5.968 -6.431 193 HD21 LEU 27 HD21 LEU 27 5.347 4.430 -9.742 194 HD22 LEU 27 HD22 LEU 27 5.463 2.764 -9.162 195 HD23 LEU 27 HD23 LEU 27 6.915 3.767 -9.251 196 H GLU 28 H GLU 28 4.423 1.385 -5.757 197 HA GLU 28 HA GLU 28 1.922 2.588 -6.317 198 HB2 GLU 28 HB2 GLU 28 2.594 -0.274 -5.628 199 HB3 GLU 28 HB1 GLU 28 1.055 0.274 -6.271 200 HG2 GLU 28 HG2 GLU 28 2.159 0.991 -8.316 201 HG3 GLU 28 HG1 GLU 28 3.709 0.455 -7.670 202 H MET 29 H MET 29 3.471 1.354 -3.519 203 HA MET 29 HA MET 29 1.056 1.027 -2.004 204 HB2 MET 29 HB2 MET 29 3.923 1.007 -1.082 205 HB3 MET 29 HB1 MET 29 2.546 0.563 -0.093 206 HG2 MET 29 HG2 MET 29 3.597 -0.850 -2.524 207 HG3 MET 29 HG1 MET 29 3.595 -1.445 -0.873 208 HE1 MET 29 HE1 MET 29 1.156 -1.767 0.458 209 HE2 MET 29 HE2 MET 29 -0.394 -1.685 -0.391 210 HE3 MET 29 3HE MET 29 0.606 -0.237 -0.223 211 H GLY 30 H GLY 30 3.337 3.477 -2.571 212 HA2 GLY 30 HA2 GLY 30 2.901 5.062 -0.279 213 HA3 GLY 30 HA1 GLY 30 3.566 5.651 -1.789 214 H TYR 31 H TYR 31 1.320 4.948 -3.385 215 HA TYR 31 HA TYR 31 -0.423 7.022 -2.393 216 HB2 TYR 31 HB2 TYR 31 -1.375 7.212 -4.640 217 HB3 TYR 31 HB1 TYR 31 0.360 7.524 -4.536 218 HD1 TYR 31 HD1 TYR 31 -2.250 5.338 -5.806 219 HD2 TYR 31 HD2 TYR 31 1.932 6.077 -5.698 220 HE1 TYR 31 HE1 TYR 31 -1.947 3.852 -7.682 221 HE2 TYR 31 HE2 TYR 31 2.261 4.594 -7.567 222 HH TYR 31 HH TYR 31 1.123 2.720 -8.713 223 H TYR 32 H TYR 32 -0.556 3.728 -3.331 224 HA TYR 32 HA TYR 32 -3.374 3.545 -3.048 225 HB2 TYR 32 HB2 TYR 32 -1.275 1.399 -3.178 226 HB3 TYR 32 HB1 TYR 32 -2.914 0.988 -2.725 227 HD1 TYR 32 HD1 TYR 32 -4.678 2.300 -4.366 228 HD2 TYR 32 HD2 TYR 32 -0.784 0.951 -5.370 229 HE1 TYR 32 HE1 TYR 32 -5.357 2.150 -6.702 230 HE2 TYR 32 HE2 TYR 32 -1.441 0.802 -7.734 231 HH TYR 32 HH TYR 32 -4.360 2.147 -8.881 232 H CYS 33 H CYS 33 -0.780 2.741 -0.727 233 HA CYS 33 HA CYS 33 -2.895 2.791 1.291 234 HB2 CYS 33 HB2 CYS 33 -0.618 0.820 1.276 235 HB3 CYS 33 HB1 CYS 33 -1.985 0.885 2.388 236 HA PRO 34 HA PRO 34 0.701 5.620 2.208 237 HB2 PRO 34 HB2 PRO 34 -0.806 7.689 3.096 238 HB3 PRO 34 HB1 PRO 34 -0.334 7.452 1.407 239 HG2 PRO 34 HG2 PRO 34 -2.904 6.721 2.764 240 HG3 PRO 34 HG1 PRO 34 -2.677 7.526 1.206 241 HD2 PRO 34 HD2 PRO 34 -3.213 4.930 1.341 242 HD3 PRO 34 HD1 PRO 34 -2.069 5.556 0.138 243 H VAL 35 H VAL 35 -2.147 4.636 3.919 244 HA VAL 35 HA VAL 35 -1.116 5.587 6.432 245 HB VAL 35 HB VAL 35 -3.646 4.023 5.923 246 HG11 VAL 35 HG11 VAL 35 -4.336 4.896 8.115 247 HG12 VAL 35 HG12 VAL 35 -2.753 5.666 8.290 248 HG13 VAL 35 3HG1 VAL 35 -2.875 3.909 8.239 249 HG21 VAL 35 HG21 VAL 35 -4.755 6.218 6.021 250 HG22 VAL 35 HG22 VAL 35 -3.574 6.098 4.698 251 HG23 VAL 35 HG23 VAL 35 -3.160 6.979 6.155 252 H THR 36 H THR 36 -2.008 2.515 4.982 253 HA THR 36 HA THR 36 -1.387 0.778 7.052 254 HB THR 36 HB THR 36 -1.032 0.226 4.107 255 HG1 THR 36 HG1 THR 36 -3.092 1.108 4.592 256 HG21 THR 36 HG21 THR 36 -1.629 -2.082 4.731 257 HG22 THR 36 HG22 THR 36 -1.694 -1.598 6.428 258 HG23 THR 36 HG23 THR 36 -0.164 -1.545 5.555 259 H CYS 37 H CYS 37 0.779 1.699 4.365 260 HA CYS 37 HA CYS 37 2.923 0.205 5.486 261 HB2 CYS 37 HB2 CYS 37 2.930 2.214 3.270 262 HB3 CYS 37 HB1 CYS 37 4.222 1.062 3.609 263 H GLY 38 H GLY 38 1.741 3.267 6.210 264 HA2 GLY 38 HA2 GLY 38 2.515 4.554 7.986 265 HA3 GLY 38 HA1 GLY 38 4.045 3.703 7.905 266 H PHE 39 H PHE 39 2.301 5.550 5.422 267 HA PHE 39 HA PHE 39 4.712 7.176 5.042 268 HB2 PHE 39 HB2 PHE 39 2.183 6.983 3.379 269 HB3 PHE 39 HB1 PHE 39 3.571 7.987 3.006 270 HD1 PHE 39 HD1 PHE 39 5.671 6.944 2.316 271 HD2 PHE 39 HD2 PHE 39 2.123 4.702 2.860 272 HE1 PHE 39 HE1 PHE 39 6.644 5.129 0.961 273 HE2 PHE 39 HE2 PHE 39 3.084 2.868 1.478 274 HZ PHE 39 HZ PHE 39 5.340 3.088 0.548 275 HA CYS 40 HA CYS 40 1.400 9.923 6.779 276 HB2 CYS 40 HB2 CYS 40 1.510 10.701 4.403 277 HB3 CYS 40 HB1 CYS 40 0.001 9.848 4.100 278 HN1 NH2 41 H1 CYS 40 0.203 9.074 8.382 279 HN2 NH2 41 H2 CYS 40 -1.332 8.312 8.189 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 -4.059 17.511 0.889 2 H2 GLU 1 HT2 GLU 1 -2.667 17.795 -0.032 3 H3 GLU 1 HT3 GLU 1 -2.547 17.341 1.596 4 HA GLU 1 HA GLU 1 -3.622 15.658 -0.557 5 HB2 GLU 1 HB2 GLU 1 -1.162 15.958 -0.629 6 HB3 GLU 1 HB1 GLU 1 -1.068 15.474 1.060 7 HG2 GLU 1 HG2 GLU 1 -0.400 13.635 -0.280 8 HG3 GLU 1 HG1 GLU 1 -1.983 13.260 0.396 9 H HIS 2 H HIS 2 -5.338 14.615 0.442 10 HA HIS 2 HA HIS 2 -4.993 13.924 3.222 11 HB2 HIS 2 HB2 HIS 2 -7.330 13.087 3.207 12 HB3 HIS 2 HB1 HIS 2 -7.240 14.737 2.631 13 HD1 HIS 2 HD1 HIS 2 -8.280 11.289 1.600 14 HD2 HIS 2 HD2 HIS 2 -7.920 15.073 -0.079 15 HE1 HIS 2 HE1 HIS 2 -9.559 11.223 -0.560 16 H CYS 3 H CYS 3 -4.113 12.164 3.853 17 HA CYS 3 HA CYS 3 -3.410 10.197 1.886 18 HB2 CYS 3 HB2 CYS 3 -2.095 9.195 3.757 19 HB3 CYS 3 HB1 CYS 3 -1.678 10.871 3.424 20 H ALA 4 H ALA 4 -4.799 8.630 1.390 21 HA ALA 4 HA ALA 4 -6.139 7.224 3.553 22 HB1 ALA 4 HB1 ALA 4 -7.757 8.903 2.793 23 HB2 ALA 4 HB2 ALA 4 -8.283 7.273 2.372 24 HB3 ALA 4 HB3 ALA 4 -7.581 8.320 1.138 25 H ASP 5 H ASP 5 -6.142 5.089 3.209 26 HA ASP 5 HA ASP 5 -4.817 3.980 0.948 27 HB2 ASP 5 HB2 ASP 5 -6.682 2.513 2.849 28 HB3 ASP 5 HB1 ASP 5 -5.536 1.772 1.753 29 H GLU 6 H GLU 6 -5.639 2.771 -0.742 30 HA GLU 6 HA GLU 6 -7.887 3.877 -1.998 31 HB2 GLU 6 HB2 GLU 6 -5.944 3.081 -3.216 32 HB3 GLU 6 HB1 GLU 6 -6.203 1.449 -2.643 33 HG2 GLU 6 HG2 GLU 6 -6.887 1.749 -4.945 34 HG3 GLU 6 HG1 GLU 6 -8.250 1.317 -3.907 35 H LYS 7 H LYS 7 -9.864 2.930 -2.516 36 HA LYS 7 HA LYS 7 -10.854 1.241 -0.370 37 HB2 LYS 7 HB2 LYS 7 -13.081 1.856 -1.071 38 HB3 LYS 7 HB1 LYS 7 -12.081 3.288 -0.912 39 HG2 LYS 7 HG2 LYS 7 -11.831 3.401 -3.331 40 HG3 LYS 7 HG1 LYS 7 -12.786 1.928 -3.506 41 HD2 LYS 7 HD2 LYS 7 -14.332 3.666 -3.897 42 HD3 LYS 7 HD1 LYS 7 -14.587 3.142 -2.232 43 HE2 LYS 7 HE2 LYS 7 -14.640 5.569 -2.351 44 HE3 LYS 7 HE1 LYS 7 -13.246 5.034 -1.416 45 HZ1 LYS 7 HZ1 LYS 7 -13.198 5.914 -4.256 46 HZ2 LYS 7 HZ2 LYS 7 -11.854 5.434 -3.384 47 HZ3 LYS 7 HZ3 LYS 7 -12.677 6.830 -2.957 48 H ASN 8 H ASN 8 -10.143 1.001 -3.657 49 HA ASN 8 HA ASN 8 -11.543 -1.580 -3.846 50 HB2 ASN 8 HB2 ASN 8 -11.148 -1.565 -6.277 51 HB3 ASN 8 HB1 ASN 8 -11.966 -0.103 -5.764 52 HD21 ASN 8 HD21 ASN 8 -10.983 1.845 -6.145 53 HD22 ASN 8 HD22 ASN 8 -9.489 2.012 -6.989 54 H PHE 9 H PHE 9 -8.792 -0.712 -2.691 55 HA PHE 9 HA PHE 9 -7.212 -3.010 -3.731 56 HB2 PHE 9 HB2 PHE 9 -6.433 -0.595 -4.211 57 HB3 PHE 9 HB1 PHE 9 -6.170 -0.517 -2.468 58 HD1 PHE 9 HD1 PHE 9 -5.331 -2.425 -5.469 59 HD2 PHE 9 HD2 PHE 9 -4.232 -1.334 -1.532 60 HE1 PHE 9 HE1 PHE 9 -3.207 -3.484 -5.802 61 HE2 PHE 9 HE2 PHE 9 -2.055 -2.396 -1.837 62 HZ PHE 9 HZ PHE 9 -1.504 -3.469 -3.972 63 H ASP 10 H ASP 10 -6.424 -4.363 -2.087 64 HA ASP 10 HA ASP 10 -7.324 -3.503 0.542 65 HB2 ASP 10 HB2 ASP 10 -8.236 -5.701 -0.302 66 HB3 ASP 10 HB1 ASP 10 -6.592 -6.338 -0.165 67 H CYS 11 H CYS 11 -5.883 -2.590 1.591 68 HA CYS 11 HA CYS 11 -3.128 -3.004 1.084 69 HB2 CYS 11 HB2 CYS 11 -4.537 -1.227 3.062 70 HB3 CYS 11 HB1 CYS 11 -2.804 -1.244 2.745 71 H ARG 12 H ARG 12 -5.360 -4.269 3.374 72 HA ARG 12 HA ARG 12 -3.409 -4.975 5.332 73 HB2 ARG 12 HB2 ARG 12 -6.043 -6.335 4.760 74 HB3 ARG 12 HB1 ARG 12 -5.073 -6.558 6.205 75 HG2 ARG 12 HG2 ARG 12 -6.653 -4.152 5.356 76 HG3 ARG 12 HG1 ARG 12 -6.862 -5.161 6.775 77 HD2 ARG 12 HD2 ARG 12 -4.589 -3.247 6.226 78 HD3 ARG 12 HD1 ARG 12 -5.850 -3.071 7.439 79 HE ARG 12 HE ARG 12 -4.393 -5.468 7.830 80 HH11 ARG 12 HH11 ARG 12 -4.217 -1.978 8.372 81 HH12 ARG 12 HH12 ARG 12 -3.060 -2.072 9.610 82 HH21 ARG 12 HH21 ARG 12 -2.766 -5.614 9.463 83 HH22 ARG 12 HH22 ARG 12 -2.183 -4.229 10.245 84 H ARG 13 H ARG 13 -4.930 -6.644 2.685 85 HA ARG 13 HA ARG 13 -3.599 -9.094 2.717 86 HB2 ARG 13 HB2 ARG 13 -5.488 -8.460 1.254 87 HB3 ARG 13 HB1 ARG 13 -4.390 -7.461 0.324 88 HG2 ARG 13 HG2 ARG 13 -3.120 -9.431 -0.328 89 HG3 ARG 13 HG1 ARG 13 -4.202 -10.447 0.631 90 HD2 ARG 13 HD2 ARG 13 -4.958 -8.732 -1.716 91 HD3 ARG 13 HD1 ARG 13 -4.887 -10.499 -1.674 92 HE ARG 13 HE ARG 13 -6.562 -10.051 0.287 93 HH11 ARG 13 HH11 ARG 13 -6.513 -8.530 -2.920 94 HH12 ARG 13 HH12 ARG 13 -8.202 -8.344 -3.004 95 HH21 ARG 13 HH21 ARG 13 -8.885 -9.737 0.167 96 HH22 ARG 13 HH22 ARG 13 -9.593 -9.044 -1.210 97 H SER 14 H SER 14 -2.745 -6.128 1.031 98 HA SER 14 HA SER 14 -0.335 -6.968 -0.097 99 HB2 SER 14 HB2 SER 14 -1.131 -4.180 0.769 100 HB3 SER 14 HB1 SER 14 0.106 -4.581 -0.425 101 HG SER 14 HG SER 14 -2.694 -4.754 -0.620 102 H LEU 15 H LEU 15 -1.035 -5.674 3.095 103 HA LEU 15 HA LEU 15 1.673 -5.404 3.881 104 HB2 LEU 15 HB2 LEU 15 -0.244 -4.167 4.879 105 HB3 LEU 15 HB1 LEU 15 -0.802 -5.663 5.581 106 HG LEU 15 HG LEU 15 1.203 -5.775 6.993 107 HD11 LEU 15 HD11 LEU 15 1.889 -3.114 5.753 108 HD12 LEU 15 HD12 LEU 15 2.751 -4.629 5.495 109 HD13 LEU 15 HD13 LEU 15 2.742 -3.882 7.095 110 HD21 LEU 15 HD21 LEU 15 -0.792 -4.633 7.819 111 HD22 LEU 15 HD22 LEU 15 -0.207 -3.119 7.120 112 HD23 LEU 15 HD23 LEU 15 0.682 -3.883 8.437 113 H ARG 16 H ARG 16 -0.759 -7.889 4.265 114 HA ARG 16 HA ARG 16 0.743 -9.633 5.922 115 HB2 ARG 16 HB2 ARG 16 -1.516 -10.258 4.032 116 HB3 ARG 16 HB1 ARG 16 -0.869 -11.372 5.222 117 HG2 ARG 16 HG2 ARG 16 -1.604 -9.948 7.016 118 HG3 ARG 16 HG1 ARG 16 -2.146 -8.726 5.860 119 HD2 ARG 16 HD2 ARG 16 -3.716 -10.356 4.906 120 HD3 ARG 16 HD1 ARG 16 -3.204 -11.534 6.110 121 HE ARG 16 HE ARG 16 -3.976 -9.462 7.616 122 HH11 ARG 16 HH11 ARG 16 -5.578 -11.084 4.904 123 HH12 ARG 16 HH12 ARG 16 -7.143 -10.885 5.509 124 HH21 ARG 16 HH21 ARG 16 -6.161 -9.179 8.453 125 HH22 ARG 16 HH22 ARG 16 -7.485 -9.767 7.572 126 H ASN 17 H ASN 17 0.622 -9.249 2.449 127 HA ASN 17 HA ASN 17 2.075 -11.731 2.042 128 HB2 ASN 17 HB2 ASN 17 0.907 -9.764 0.119 129 HB3 ASN 17 HB1 ASN 17 2.005 -11.033 -0.410 130 HD21 ASN 17 HD21 ASN 17 -1.077 -10.302 0.900 131 HD22 ASN 17 HD22 ASN 17 -1.800 -11.854 0.628 132 H GLY 18 H GLY 18 2.806 -8.414 2.240 133 HA2 GLY 18 HA2 GLY 18 5.169 -7.944 2.753 134 HA3 GLY 18 HA1 GLY 18 5.574 -9.175 1.581 135 H ASP 19 H ASP 19 3.041 -7.417 0.378 136 HA ASP 19 HA ASP 19 4.673 -6.233 -1.671 137 HB2 ASP 19 HB2 ASP 19 1.728 -5.934 -1.047 138 HB3 ASP 19 HB1 ASP 19 2.505 -5.062 -2.357 139 H CYS 20 H CYS 20 3.199 -5.214 1.226 140 HA CYS 20 HA CYS 20 3.564 -2.399 0.832 141 HB2 CYS 20 HB2 CYS 20 1.714 -3.301 2.157 142 HB3 CYS 20 HB1 CYS 20 2.874 -4.064 3.230 143 H ASP 21 H ASP 21 5.569 -4.959 1.697 144 HA ASP 21 HA ASP 21 7.433 -3.254 3.228 145 HB2 ASP 21 HB2 ASP 21 6.753 -5.350 4.286 146 HB3 ASP 21 HB1 ASP 21 7.287 -6.251 2.879 147 H ASN 22 H ASN 22 6.831 -4.410 0.194 148 HA ASN 22 HA ASN 22 9.562 -4.986 -0.574 149 HB2 ASN 22 HB2 ASN 22 7.676 -6.336 -1.441 150 HB3 ASN 22 HB1 ASN 22 7.039 -4.902 -2.227 151 HD21 ASN 22 HD21 ASN 22 9.502 -7.308 -2.255 152 HD22 ASN 22 HD22 ASN 22 10.121 -6.943 -3.818 153 H ASP 23 H ASP 23 10.887 -3.505 -1.315 154 HA ASP 23 HA ASP 23 10.197 -0.797 -1.347 155 HB2 ASP 23 HB2 ASP 23 12.475 -1.632 -0.878 156 HB3 ASP 23 HB1 ASP 23 12.656 -2.035 -2.584 157 H ASP 24 H ASP 24 10.528 -3.079 -3.996 158 HA ASP 24 HA ASP 24 10.344 -1.186 -6.118 159 HB2 ASP 24 HB2 ASP 24 9.595 -4.118 -6.072 160 HB3 ASP 24 HB1 ASP 24 9.519 -3.127 -7.517 161 H LYS 25 H LYS 25 7.997 -2.761 -4.144 162 HA LYS 25 HA LYS 25 5.797 -1.911 -5.831 163 HB2 LYS 25 HB2 LYS 25 5.818 -3.456 -3.235 164 HB3 LYS 25 HB1 LYS 25 4.366 -3.091 -4.158 165 HG2 LYS 25 HG2 LYS 25 6.710 -4.736 -5.086 166 HG3 LYS 25 HG1 LYS 25 5.195 -5.379 -4.456 167 HD2 LYS 25 HD2 LYS 25 5.363 -3.590 -6.879 168 HD3 LYS 25 HD1 LYS 25 5.439 -5.350 -6.914 169 HE2 LYS 25 HE2 LYS 25 3.143 -3.857 -5.652 170 HE3 LYS 25 HE1 LYS 25 3.148 -4.316 -7.348 171 HZ1 LYS 25 HZ1 LYS 25 1.996 -5.964 -6.073 172 HZ2 LYS 25 HZ2 LYS 25 3.266 -6.214 -5.023 173 HZ3 LYS 25 HZ3 LYS 25 3.419 -6.637 -6.641 174 H LEU 26 H LEU 26 7.605 -0.560 -3.340 175 HA LEU 26 HA LEU 26 5.620 0.624 -1.814 176 HB2 LEU 26 HB2 LEU 26 8.468 1.458 -2.208 177 HB3 LEU 26 HB1 LEU 26 7.376 2.351 -1.169 178 HG LEU 26 HG LEU 26 8.189 -0.536 -0.818 179 HD11 LEU 26 HD11 LEU 26 9.975 1.030 -0.279 180 HD12 LEU 26 HD12 LEU 26 9.328 0.285 1.182 181 HD13 LEU 26 HD13 LEU 26 8.876 1.935 0.760 182 HD21 LEU 26 HD21 LEU 26 5.915 -0.200 -0.036 183 HD22 LEU 26 HD22 LEU 26 6.415 1.232 0.861 184 HD23 LEU 26 HD23 LEU 26 7.008 -0.358 1.339 185 H LEU 27 H LEU 27 6.859 1.750 -4.896 186 HA LEU 27 HA LEU 27 5.923 4.332 -4.896 187 HB2 LEU 27 HB2 LEU 27 7.228 3.438 -6.695 188 HB3 LEU 27 HB1 LEU 27 6.000 2.219 -7.022 189 HG LEU 27 HG LEU 27 4.471 4.019 -7.476 190 HD11 LEU 27 HD11 LEU 27 5.568 5.918 -6.497 191 HD12 LEU 27 HD12 LEU 27 5.440 6.223 -8.229 192 HD13 LEU 27 HD13 LEU 27 6.974 5.701 -7.534 193 HD21 LEU 27 HD21 LEU 27 6.819 3.680 -9.314 194 HD22 LEU 27 HD22 LEU 27 5.252 4.351 -9.801 195 HD23 LEU 27 HD23 LEU 27 5.364 2.689 -9.210 196 H GLU 28 H GLU 28 4.331 1.329 -5.821 197 HA GLU 28 HA GLU 28 1.813 2.469 -6.368 198 HB2 GLU 28 HB2 GLU 28 2.600 -0.372 -5.723 199 HB3 GLU 28 HB1 GLU 28 1.005 0.107 -6.271 200 HG2 GLU 28 HG2 GLU 28 1.985 0.927 -8.359 201 HG3 GLU 28 HG1 GLU 28 3.570 0.384 -7.806 202 H MET 29 H MET 29 3.410 1.331 -3.537 203 HA MET 29 HA MET 29 0.996 1.018 -1.970 204 HB2 MET 29 HB2 MET 29 3.855 1.216 -1.014 205 HB3 MET 29 HB1 MET 29 2.479 0.767 -0.042 206 HG2 MET 29 HG2 MET 29 3.535 -0.835 -2.365 207 HG3 MET 29 HG1 MET 29 3.936 -1.135 -0.688 208 HE1 MET 29 HE1 MET 29 0.013 -2.253 -2.852 209 HE2 MET 29 HE2 MET 29 1.555 -1.875 -3.614 210 HE3 MET 29 3HE MET 29 0.583 -0.589 -2.910 211 H GLY 30 H GLY 30 3.146 3.594 -2.750 212 HA2 GLY 30 HA2 GLY 30 2.460 5.198 -0.511 213 HA3 GLY 30 HA1 GLY 30 3.234 5.807 -1.951 214 H TYR 31 H TYR 31 0.953 4.611 -3.550 215 HA TYR 31 HA TYR 31 -0.916 6.672 -2.796 216 HB2 TYR 31 HB2 TYR 31 -1.819 6.687 -5.058 217 HB3 TYR 31 HB1 TYR 31 -0.117 7.147 -4.914 218 HD1 TYR 31 HD1 TYR 31 -2.491 4.714 -6.172 219 HD2 TYR 31 HD2 TYR 31 1.603 5.818 -6.014 220 HE1 TYR 31 HE1 TYR 31 -2.034 3.245 -8.029 221 HE2 TYR 31 HE2 TYR 31 2.089 4.358 -7.860 222 HH TYR 31 HH TYR 31 -0.365 3.111 -9.826 223 H TYR 32 H TYR 32 -0.769 3.352 -3.551 224 HA TYR 32 HA TYR 32 -3.572 2.978 -3.241 225 HB2 TYR 32 HB2 TYR 32 -1.310 0.992 -3.235 226 HB3 TYR 32 HB1 TYR 32 -2.934 0.495 -2.830 227 HD1 TYR 32 HD1 TYR 32 -0.667 0.479 -5.330 228 HD2 TYR 32 HD2 TYR 32 -4.706 1.546 -4.663 229 HE1 TYR 32 HE1 TYR 32 -1.144 0.106 -7.715 230 HE2 TYR 32 HE2 TYR 32 -5.219 1.192 -7.021 231 HH TYR 32 HH TYR 32 -3.046 -0.426 -9.101 232 H CYS 33 H CYS 33 -0.820 2.709 -0.982 233 HA CYS 33 HA CYS 33 -2.778 2.367 1.180 234 HB2 CYS 33 HB2 CYS 33 -0.225 0.781 0.916 235 HB3 CYS 33 HB1 CYS 33 -1.456 0.635 2.153 236 HA PRO 34 HA PRO 34 0.757 5.498 1.974 237 HB2 PRO 34 HB2 PRO 34 -0.808 7.615 2.616 238 HB3 PRO 34 HB1 PRO 34 -0.201 7.285 0.986 239 HG2 PRO 34 HG2 PRO 34 -2.881 6.643 2.164 240 HG3 PRO 34 HG1 PRO 34 -2.503 7.342 0.583 241 HD2 PRO 34 HD2 PRO 34 -3.079 4.756 0.844 242 HD3 PRO 34 HD1 PRO 34 -1.841 5.307 -0.303 243 H VAL 35 H VAL 35 -2.230 4.641 3.504 244 HA VAL 35 HA VAL 35 -1.402 5.670 6.060 245 HB VAL 35 HB VAL 35 -3.921 4.178 5.334 246 HG11 VAL 35 HG11 VAL 35 -4.782 5.087 7.458 247 HG12 VAL 35 HG12 VAL 35 -3.186 5.772 7.783 248 HG13 VAL 35 3HG1 VAL 35 -3.393 4.023 7.708 249 HG21 VAL 35 HG21 VAL 35 -4.958 6.392 5.338 250 HG22 VAL 35 HG22 VAL 35 -3.652 6.259 4.143 251 HG23 VAL 35 HG23 VAL 35 -3.371 7.111 5.650 252 H THR 36 H THR 36 -2.408 2.536 4.741 253 HA THR 36 HA THR 36 -1.800 1.029 7.018 254 HB THR 36 HB THR 36 -1.903 0.136 4.131 255 HG1 THR 36 HG1 THR 36 -3.889 1.054 5.014 256 HG21 THR 36 HG21 THR 36 -0.735 -1.530 5.518 257 HG22 THR 36 HG22 THR 36 -2.323 -2.124 5.031 258 HG23 THR 36 HG23 THR 36 -2.072 -1.516 6.668 259 H CYS 37 H CYS 37 0.282 1.802 4.270 260 HA CYS 37 HA CYS 37 2.410 0.202 5.303 261 HB2 CYS 37 HB2 CYS 37 2.236 2.089 2.998 262 HB3 CYS 37 HB1 CYS 37 3.716 1.212 3.401 263 H GLY 38 H GLY 38 1.290 3.034 6.408 264 HA2 GLY 38 HA2 GLY 38 2.178 4.302 8.094 265 HA3 GLY 38 HA1 GLY 38 3.666 3.393 7.945 266 H PHE 39 H PHE 39 2.434 5.014 5.120 267 HA PHE 39 HA PHE 39 4.736 6.736 5.049 268 HB2 PHE 39 HB2 PHE 39 2.177 6.849 3.410 269 HB3 PHE 39 HB1 PHE 39 3.608 7.815 3.100 270 HD1 PHE 39 HD1 PHE 39 5.563 6.820 2.094 271 HD2 PHE 39 HD2 PHE 39 2.068 4.551 2.832 272 HE1 PHE 39 HE1 PHE 39 6.411 5.078 0.587 273 HE2 PHE 39 HE2 PHE 39 2.918 2.782 1.298 274 HZ PHE 39 HZ PHE 39 5.083 3.055 0.193 275 HA CYS 40 HA CYS 40 1.723 9.531 7.068 276 HB2 CYS 40 HB2 CYS 40 0.797 10.086 4.851 277 HB3 CYS 40 HB1 CYS 40 -0.507 8.926 5.134 278 HN1 NH2 41 H1 CYS 40 1.585 8.365 8.964 279 HN2 NH2 41 H2 CYS 40 0.187 7.463 9.437 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 -1.585 15.630 -1.046 2 H2 GLU 1 HT2 GLU 1 -2.378 14.689 -2.199 3 H3 GLU 1 HT3 GLU 1 -0.724 14.884 -2.295 4 HA GLU 1 HA GLU 1 -1.333 12.730 -1.407 5 HB2 GLU 1 HB2 GLU 1 0.780 13.809 -0.637 6 HB3 GLU 1 HB1 GLU 1 -0.137 14.538 0.680 7 HG2 GLU 1 HG2 GLU 1 -0.631 12.374 1.602 8 HG3 GLU 1 HG1 GLU 1 0.187 11.589 0.253 9 H HIS 2 H HIS 2 -3.309 12.037 -0.898 10 HA HIS 2 HA HIS 2 -4.387 13.128 1.565 11 HB2 HIS 2 HB2 HIS 2 -6.603 12.253 0.944 12 HB3 HIS 2 HB1 HIS 2 -6.000 13.336 -0.293 13 HD1 HIS 2 HD1 HIS 2 -7.850 10.363 -0.045 14 HD2 HIS 2 HD2 HIS 2 -4.693 11.577 -2.453 15 HE1 HIS 2 HE1 HIS 2 -7.909 8.879 -2.078 16 H CYS 3 H CYS 3 -4.038 11.973 3.285 17 HA CYS 3 HA CYS 3 -3.058 9.315 2.940 18 HB2 CYS 3 HB2 CYS 3 -3.541 10.825 5.500 19 HB3 CYS 3 HB1 CYS 3 -2.699 9.288 5.341 20 H ALA 4 H ALA 4 -4.758 8.347 2.045 21 HA ALA 4 HA ALA 4 -6.515 7.076 3.939 22 HB1 ALA 4 HB1 ALA 4 -7.550 8.507 1.478 23 HB2 ALA 4 HB2 ALA 4 -7.872 8.965 3.150 24 HB3 ALA 4 HB3 ALA 4 -8.500 7.443 2.514 25 H ASP 5 H ASP 5 -5.975 5.039 3.573 26 HA ASP 5 HA ASP 5 -4.927 3.922 1.205 27 HB2 ASP 5 HB2 ASP 5 -6.651 2.463 3.210 28 HB3 ASP 5 HB1 ASP 5 -5.431 1.767 2.156 29 H GLU 6 H GLU 6 -5.875 2.787 -0.479 30 HA GLU 6 HA GLU 6 -8.405 3.742 -1.333 31 HB2 GLU 6 HB2 GLU 6 -6.557 3.380 -2.877 32 HB3 GLU 6 HB1 GLU 6 -6.508 1.682 -2.457 33 HG2 GLU 6 HG2 GLU 6 -7.510 2.058 -4.621 34 HG3 GLU 6 HG1 GLU 6 -8.656 1.333 -3.495 35 H LYS 7 H LYS 7 -10.306 2.677 -1.561 36 HA LYS 7 HA LYS 7 -10.801 0.429 0.188 37 HB2 LYS 7 HB2 LYS 7 -13.186 0.851 -0.498 38 HB3 LYS 7 HB1 LYS 7 -12.395 2.151 0.380 39 HG2 LYS 7 HG2 LYS 7 -12.102 3.412 -1.606 40 HG3 LYS 7 HG1 LYS 7 -12.619 2.063 -2.613 41 HD2 LYS 7 HD2 LYS 7 -14.334 3.320 -0.538 42 HD3 LYS 7 HD1 LYS 7 -14.321 3.899 -2.218 43 HE2 LYS 7 HE2 LYS 7 -14.865 1.542 -2.893 44 HE3 LYS 7 HE1 LYS 7 -15.080 1.165 -1.190 45 HZ1 LYS 7 HZ1 LYS 7 -16.657 3.150 -2.730 46 HZ2 LYS 7 HZ2 LYS 7 -16.861 2.822 -1.094 47 HZ3 LYS 7 HZ3 LYS 7 -17.181 1.627 -2.247 48 H ASN 8 H ASN 8 -10.534 1.161 -3.086 49 HA ASN 8 HA ASN 8 -11.722 -1.338 -4.031 50 HB2 ASN 8 HB2 ASN 8 -10.464 0.953 -5.552 51 HB3 ASN 8 HB1 ASN 8 -11.151 -0.477 -6.315 52 HD21 ASN 8 HD21 ASN 8 -13.384 -0.788 -6.220 53 HD22 ASN 8 HD22 ASN 8 -14.468 0.502 -5.888 54 H PHE 9 H PHE 9 -9.184 -0.972 -2.491 55 HA PHE 9 HA PHE 9 -7.531 -2.908 -3.923 56 HB2 PHE 9 HB2 PHE 9 -6.774 -0.465 -4.224 57 HB3 PHE 9 HB1 PHE 9 -6.514 -0.469 -2.484 58 HD1 PHE 9 HD1 PHE 9 -4.454 -1.045 -1.696 59 HD2 PHE 9 HD2 PHE 9 -5.717 -2.416 -5.492 60 HE1 PHE 9 HE1 PHE 9 -2.243 -2.020 -2.071 61 HE2 PHE 9 HE2 PHE 9 -3.564 -3.396 -5.890 62 HZ PHE 9 HZ PHE 9 -1.764 -3.193 -4.166 63 H ASP 10 H ASP 10 -6.708 -4.357 -2.295 64 HA ASP 10 HA ASP 10 -7.697 -3.625 0.355 65 HB2 ASP 10 HB2 ASP 10 -8.622 -5.773 -0.484 66 HB3 ASP 10 HB1 ASP 10 -6.984 -6.432 -0.521 67 H CYS 11 H CYS 11 -6.293 -2.631 1.407 68 HA CYS 11 HA CYS 11 -3.515 -2.964 1.078 69 HB2 CYS 11 HB2 CYS 11 -5.090 -1.446 3.130 70 HB3 CYS 11 HB1 CYS 11 -3.339 -1.338 2.931 71 H ARG 12 H ARG 12 -5.707 -4.720 2.987 72 HA ARG 12 HA ARG 12 -3.907 -5.375 5.137 73 HB2 ARG 12 HB2 ARG 12 -6.288 -6.969 4.119 74 HB3 ARG 12 HB1 ARG 12 -5.413 -7.296 5.597 75 HG2 ARG 12 HG2 ARG 12 -7.439 -6.281 6.184 76 HG3 ARG 12 HG1 ARG 12 -6.175 -5.060 6.413 77 HD2 ARG 12 HD2 ARG 12 -6.794 -3.996 4.346 78 HD3 ARG 12 HD1 ARG 12 -7.949 -5.277 3.989 79 HE ARG 12 HE ARG 12 -8.330 -3.769 6.428 80 HH11 ARG 12 HH11 ARG 12 -9.326 -4.408 3.077 81 HH12 ARG 12 HH12 ARG 12 -10.766 -3.521 3.188 82 HH21 ARG 12 HH21 ARG 12 -10.375 -2.549 6.570 83 HH22 ARG 12 HH22 ARG 12 -11.379 -2.453 5.202 84 H ARG 13 H ARG 13 -5.121 -6.942 2.307 85 HA ARG 13 HA ARG 13 -3.551 -9.201 2.040 86 HB2 ARG 13 HB2 ARG 13 -5.375 -8.594 0.527 87 HB3 ARG 13 HB1 ARG 13 -4.401 -7.291 -0.131 88 HG2 ARG 13 HG2 ARG 13 -2.770 -8.972 -0.927 89 HG3 ARG 13 HG1 ARG 13 -3.861 -10.240 -0.359 90 HD2 ARG 13 HD2 ARG 13 -4.520 -8.121 -2.381 91 HD3 ARG 13 HD1 ARG 13 -4.130 -9.806 -2.748 92 HE ARG 13 HE ARG 13 -6.185 -9.984 -1.016 93 HH11 ARG 13 HH11 ARG 13 -5.789 -8.279 -4.087 94 HH12 ARG 13 HH12 ARG 13 -7.421 -8.400 -4.545 95 HH21 ARG 13 HH21 ARG 13 -8.448 -10.128 -1.622 96 HH22 ARG 13 HH22 ARG 13 -8.979 -9.468 -3.102 97 H SER 14 H SER 14 -2.804 -5.980 0.715 98 HA SER 14 HA SER 14 -0.305 -6.468 -0.332 99 HB2 SER 14 HB2 SER 14 -1.186 -3.917 1.021 100 HB3 SER 14 HB1 SER 14 -0.015 -4.084 -0.291 101 HG SER 14 HG SER 14 -2.231 -3.451 -0.855 102 H LEU 15 H LEU 15 -1.172 -5.670 3.017 103 HA LEU 15 HA LEU 15 1.562 -5.411 3.848 104 HB2 LEU 15 HB2 LEU 15 -0.351 -4.152 4.851 105 HB3 LEU 15 HB1 LEU 15 -0.908 -5.652 5.547 106 HG LEU 15 HG LEU 15 1.162 -5.818 6.875 107 HD11 LEU 15 HD11 LEU 15 1.792 -3.118 5.697 108 HD12 LEU 15 HD12 LEU 15 2.662 -4.623 5.396 109 HD13 LEU 15 HD13 LEU 15 2.680 -3.901 7.007 110 HD21 LEU 15 HD21 LEU 15 0.664 -4.002 8.425 111 HD22 LEU 15 HD22 LEU 15 -0.820 -4.742 7.818 112 HD23 LEU 15 HD23 LEU 15 -0.277 -3.189 7.176 113 H ARG 16 H ARG 16 -0.918 -7.841 4.041 114 HA ARG 16 HA ARG 16 0.442 -9.703 5.684 115 HB2 ARG 16 HB2 ARG 16 -1.643 -10.150 3.552 116 HB3 ARG 16 HB1 ARG 16 -1.085 -11.385 4.665 117 HG2 ARG 16 HG2 ARG 16 -2.001 -10.168 6.536 118 HG3 ARG 16 HG1 ARG 16 -2.447 -8.828 5.475 119 HD2 ARG 16 HD2 ARG 16 -3.934 -10.293 4.230 120 HD3 ARG 16 HD1 ARG 16 -3.487 -11.649 5.259 121 HE ARG 16 HE ARG 16 -4.390 -9.856 7.025 122 HH11 ARG 16 HH11 ARG 16 -5.793 -11.000 3.974 123 HH12 ARG 16 HH12 ARG 16 -7.384 -10.911 4.495 124 HH21 ARG 16 HH21 ARG 16 -6.644 -9.719 7.752 125 HH22 ARG 16 HH22 ARG 16 -7.884 -10.151 6.664 126 H ASN 17 H ASN 17 0.401 -9.169 2.251 127 HA ASN 17 HA ASN 17 2.036 -11.446 1.610 128 HB2 ASN 17 HB2 ASN 17 1.259 -9.012 0.028 129 HB3 ASN 17 HB1 ASN 17 2.305 -10.275 -0.607 130 HD21 ASN 17 HD21 ASN 17 -0.301 -9.360 -1.420 131 HD22 ASN 17 HD22 ASN 17 -1.327 -10.760 -1.420 132 H GLY 18 H GLY 18 2.560 -8.035 1.926 133 HA2 GLY 18 HA2 GLY 18 4.616 -7.362 3.103 134 HA3 GLY 18 HA1 GLY 18 5.437 -8.655 2.238 135 H ASP 19 H ASP 19 3.241 -7.197 0.236 136 HA ASP 19 HA ASP 19 5.246 -5.980 -1.395 137 HB2 ASP 19 HB2 ASP 19 2.221 -5.703 -1.482 138 HB3 ASP 19 HB1 ASP 19 3.306 -5.062 -2.705 139 H CYS 20 H CYS 20 3.075 -5.001 1.015 140 HA CYS 20 HA CYS 20 3.177 -2.183 0.759 141 HB2 CYS 20 HB2 CYS 20 1.406 -3.522 1.874 142 HB3 CYS 20 HB1 CYS 20 2.576 -3.944 3.109 143 H ASP 21 H ASP 21 5.536 -4.397 1.805 144 HA ASP 21 HA ASP 21 6.934 -2.339 3.397 145 HB2 ASP 21 HB2 ASP 21 6.301 -4.332 4.729 146 HB3 ASP 21 HB1 ASP 21 7.160 -5.360 3.595 147 H ASN 22 H ASN 22 6.874 -3.901 0.500 148 HA ASN 22 HA ASN 22 9.740 -4.260 0.161 149 HB2 ASN 22 HB2 ASN 22 8.317 -6.007 -0.746 150 HB3 ASN 22 HB1 ASN 22 7.429 -4.830 -1.697 151 HD21 ASN 22 HD21 ASN 22 7.905 -5.942 -3.540 152 HD22 ASN 22 HD22 ASN 22 9.456 -5.806 -4.325 153 H ASP 23 H ASP 23 11.027 -2.940 -0.837 154 HA ASP 23 HA ASP 23 10.489 -0.272 -1.210 155 HB2 ASP 23 HB2 ASP 23 12.680 -0.042 -2.226 156 HB3 ASP 23 HB1 ASP 23 12.755 -1.145 -0.859 157 H ASP 24 H ASP 24 10.550 -2.757 -3.764 158 HA ASP 24 HA ASP 24 10.237 -0.750 -5.781 159 HB2 ASP 24 HB2 ASP 24 10.045 -2.490 -7.458 160 HB3 ASP 24 HB1 ASP 24 11.359 -2.876 -6.365 161 H LYS 25 H LYS 25 8.026 -2.144 -3.706 162 HA LYS 25 HA LYS 25 5.807 -1.655 -5.555 163 HB2 LYS 25 HB2 LYS 25 5.786 -2.854 -2.782 164 HB3 LYS 25 HB1 LYS 25 4.412 -2.708 -3.861 165 HG2 LYS 25 HG2 LYS 25 6.847 -4.382 -4.328 166 HG3 LYS 25 HG1 LYS 25 5.254 -4.950 -3.818 167 HD2 LYS 25 HD2 LYS 25 4.362 -3.869 -5.907 168 HD3 LYS 25 HD1 LYS 25 6.034 -3.685 -6.416 169 HE2 LYS 25 HE2 LYS 25 4.705 -6.264 -5.700 170 HE3 LYS 25 HE1 LYS 25 5.033 -5.727 -7.346 171 HZ1 LYS 25 HZ1 LYS 25 6.954 -6.568 -5.258 172 HZ2 LYS 25 HZ2 LYS 25 7.454 -5.628 -6.541 173 HZ3 LYS 25 HZ3 LYS 25 6.804 -7.168 -6.832 174 H LEU 26 H LEU 26 7.578 -0.115 -3.177 175 HA LEU 26 HA LEU 26 5.609 0.977 -1.578 176 HB2 LEU 26 HB2 LEU 26 8.375 1.966 -2.085 177 HB3 LEU 26 HB1 LEU 26 7.299 2.705 -0.916 178 HG LEU 26 HG LEU 26 8.319 -0.133 -0.855 179 HD11 LEU 26 HD11 LEU 26 9.992 1.569 -0.309 180 HD12 LEU 26 HD12 LEU 26 9.566 0.562 1.070 181 HD13 LEU 26 HD13 LEU 26 8.918 2.200 0.943 182 HD21 LEU 26 HD21 LEU 26 6.080 -0.036 0.074 183 HD22 LEU 26 HD22 LEU 26 6.525 1.351 1.063 184 HD23 LEU 26 HD23 LEU 26 7.257 -0.224 1.375 185 H LEU 27 H LEU 27 6.825 2.407 -4.630 186 HA LEU 27 HA LEU 27 5.668 4.898 -4.217 187 HB2 LEU 27 HB2 LEU 27 7.273 4.512 -5.953 188 HB3 LEU 27 HB1 LEU 27 6.226 3.311 -6.696 189 HG LEU 27 HG LEU 27 4.584 5.105 -6.896 190 HD11 LEU 27 HD11 LEU 27 7.029 6.844 -6.527 191 HD12 LEU 27 HD12 LEU 27 5.573 6.829 -5.531 192 HD13 LEU 27 HD13 LEU 27 5.498 7.418 -7.190 193 HD21 LEU 27 HD21 LEU 27 7.059 5.110 -8.581 194 HD22 LEU 27 HD22 LEU 27 5.502 5.817 -9.063 195 HD23 LEU 27 HD23 LEU 27 5.629 4.085 -8.722 196 H GLU 28 H GLU 28 4.491 1.921 -5.672 197 HA GLU 28 HA GLU 28 1.946 2.874 -6.457 198 HB2 GLU 28 HB2 GLU 28 2.966 0.825 -7.381 199 HB3 GLU 28 HB1 GLU 28 2.865 0.063 -5.803 200 HG2 GLU 28 HG2 GLU 28 0.440 0.187 -5.897 201 HG3 GLU 28 HG1 GLU 28 0.532 0.942 -7.492 202 H MET 29 H MET 29 3.304 1.601 -3.576 203 HA MET 29 HA MET 29 0.783 1.145 -2.204 204 HB2 MET 29 HB2 MET 29 3.586 1.301 -1.080 205 HB3 MET 29 HB1 MET 29 2.166 0.838 -0.178 206 HG2 MET 29 HG2 MET 29 3.299 -0.705 -2.505 207 HG3 MET 29 HG1 MET 29 3.661 -1.046 -0.827 208 HE1 MET 29 HE1 MET 29 -0.171 -2.132 -3.143 209 HE2 MET 29 HE2 MET 29 1.402 -1.742 -3.831 210 HE3 MET 29 3HE MET 29 0.397 -0.467 -3.153 211 H GLY 30 H GLY 30 2.954 3.735 -2.693 212 HA2 GLY 30 HA2 GLY 30 2.355 5.329 -0.487 213 HA3 GLY 30 HA1 GLY 30 2.929 5.917 -2.039 214 H TYR 31 H TYR 31 0.799 5.067 -3.610 215 HA TYR 31 HA TYR 31 -1.125 6.963 -2.626 216 HB2 TYR 31 HB2 TYR 31 -2.120 6.920 -4.945 217 HB3 TYR 31 HB1 TYR 31 -0.496 7.566 -4.728 218 HD1 TYR 31 HD1 TYR 31 1.441 6.458 -5.704 219 HD2 TYR 31 HD2 TYR 31 -2.488 4.896 -6.193 220 HE1 TYR 31 HE1 TYR 31 2.226 5.098 -7.508 221 HE2 TYR 31 HE2 TYR 31 -1.695 3.499 -8.015 222 HH TYR 31 HH TYR 31 1.614 3.020 -8.693 223 H TYR 32 H TYR 32 -0.984 3.666 -3.509 224 HA TYR 32 HA TYR 32 -3.788 3.268 -3.140 225 HB2 TYR 32 HB2 TYR 32 -1.554 1.337 -3.567 226 HB3 TYR 32 HB1 TYR 32 -3.077 0.729 -2.947 227 HD1 TYR 32 HD1 TYR 32 -1.292 1.245 -5.862 228 HD2 TYR 32 HD2 TYR 32 -5.178 1.760 -4.247 229 HE1 TYR 32 HE1 TYR 32 -2.242 1.215 -8.134 230 HE2 TYR 32 HE2 TYR 32 -6.135 1.733 -6.496 231 HH TYR 32 HH TYR 32 -5.413 2.211 -8.722 232 H CYS 33 H CYS 33 -1.063 2.756 -0.922 233 HA CYS 33 HA CYS 33 -3.050 2.454 1.205 234 HB2 CYS 33 HB2 CYS 33 -0.662 0.648 0.809 235 HB3 CYS 33 HB1 CYS 33 -1.797 0.594 2.153 236 HA PRO 34 HA PRO 34 0.683 5.324 1.974 237 HB2 PRO 34 HB2 PRO 34 -0.751 7.458 2.874 238 HB3 PRO 34 HB1 PRO 34 -0.270 7.218 1.190 239 HG2 PRO 34 HG2 PRO 34 -2.888 6.586 2.510 240 HG3 PRO 34 HG1 PRO 34 -2.602 7.370 0.950 241 HD2 PRO 34 HD2 PRO 34 -3.254 4.796 1.094 242 HD3 PRO 34 HD1 PRO 34 -2.065 5.362 -0.097 243 H VAL 35 H VAL 35 -2.204 4.552 3.746 244 HA VAL 35 HA VAL 35 -1.009 5.440 6.189 245 HB VAL 35 HB VAL 35 -3.741 4.252 5.766 246 HG11 VAL 35 HG11 VAL 35 -2.560 5.675 8.156 247 HG12 VAL 35 HG12 VAL 35 -2.932 3.955 8.068 248 HG13 VAL 35 3HG1 VAL 35 -4.238 5.143 8.000 249 HG21 VAL 35 HG21 VAL 35 -2.769 7.073 6.062 250 HG22 VAL 35 HG22 VAL 35 -4.471 6.598 5.946 251 HG23 VAL 35 HG23 VAL 35 -3.358 6.320 4.591 252 H THR 36 H THR 36 -2.183 2.432 4.786 253 HA THR 36 HA THR 36 -1.551 0.756 6.963 254 HB THR 36 HB THR 36 -1.647 -0.046 4.048 255 HG1 THR 36 HG1 THR 36 -3.501 1.100 4.596 256 HG21 THR 36 HG21 THR 36 -0.836 -1.788 5.576 257 HG22 THR 36 HG22 THR 36 -2.434 -2.201 4.950 258 HG23 THR 36 HG23 THR 36 -2.263 -1.573 6.589 259 H CYS 37 H CYS 37 0.339 1.735 4.136 260 HA CYS 37 HA CYS 37 2.520 0.037 4.899 261 HB2 CYS 37 HB2 CYS 37 2.233 2.050 2.703 262 HB3 CYS 37 HB1 CYS 37 3.643 1.001 2.902 263 H GLY 38 H GLY 38 1.537 2.882 6.133 264 HA2 GLY 38 HA2 GLY 38 2.615 4.006 7.839 265 HA3 GLY 38 HA1 GLY 38 4.069 3.118 7.452 266 H PHE 39 H PHE 39 2.602 4.910 4.876 267 HA PHE 39 HA PHE 39 4.846 6.712 4.758 268 HB2 PHE 39 HB2 PHE 39 2.194 6.797 3.276 269 HB3 PHE 39 HB1 PHE 39 3.570 7.836 2.934 270 HD1 PHE 39 HD1 PHE 39 5.493 6.998 1.779 271 HD2 PHE 39 HD2 PHE 39 2.206 4.491 2.696 272 HE1 PHE 39 HE1 PHE 39 6.378 5.322 0.221 273 HE2 PHE 39 HE2 PHE 39 3.096 2.778 1.106 274 HZ PHE 39 HZ PHE 39 5.172 3.207 -0.109 275 HA CYS 40 HA CYS 40 1.880 9.436 6.886 276 HB2 CYS 40 HB2 CYS 40 -0.674 8.008 6.128 277 HB3 CYS 40 HB1 CYS 40 -0.557 9.623 6.819 278 HN1 NH2 41 H1 CYS 40 2.640 8.842 8.850 279 HN2 NH2 41 H2 CYS 40 1.906 7.681 9.903 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 -4.103 17.573 -0.866 2 H2 GLU 1 HT2 GLU 1 -4.030 17.191 -2.510 3 H3 GLU 1 HT3 GLU 1 -2.946 16.492 -1.412 4 HA GLU 1 HA GLU 1 -5.859 16.104 -1.338 5 HB2 GLU 1 HB2 GLU 1 -5.392 13.790 -2.062 6 HB3 GLU 1 HB1 GLU 1 -4.945 14.955 -3.297 7 HG2 GLU 1 HG2 GLU 1 -2.616 14.679 -2.790 8 HG3 GLU 1 HG1 GLU 1 -2.997 13.692 -1.378 9 H HIS 2 H HIS 2 -6.445 14.401 0.159 10 HA HIS 2 HA HIS 2 -4.677 14.346 2.469 11 HB2 HIS 2 HB2 HIS 2 -7.035 14.930 2.894 12 HB3 HIS 2 HB1 HIS 2 -7.559 13.444 2.114 13 HD1 HIS 2 HD1 HIS 2 -7.909 11.474 3.665 14 HD2 HIS 2 HD2 HIS 2 -5.494 14.413 5.336 15 HE1 HIS 2 HE1 HIS 2 -7.437 10.734 6.010 16 H CYS 3 H CYS 3 -3.351 12.651 2.666 17 HA CYS 3 HA CYS 3 -3.684 10.443 0.908 18 HB2 CYS 3 HB2 CYS 3 -1.584 9.578 1.936 19 HB3 CYS 3 HB1 CYS 3 -1.434 11.198 1.278 20 H ALA 4 H ALA 4 -5.003 8.894 1.227 21 HA ALA 4 HA ALA 4 -5.149 7.597 3.813 22 HB1 ALA 4 HB1 ALA 4 -7.069 9.126 3.753 23 HB2 ALA 4 HB2 ALA 4 -7.600 7.450 3.609 24 HB3 ALA 4 HB3 ALA 4 -7.540 8.480 2.180 25 H ASP 5 H ASP 5 -5.839 5.409 3.558 26 HA ASP 5 HA ASP 5 -4.817 4.132 1.225 27 HB2 ASP 5 HB2 ASP 5 -6.730 2.874 3.176 28 HB3 ASP 5 HB1 ASP 5 -5.551 2.061 2.162 29 H GLU 6 H GLU 6 -5.916 2.835 -0.288 30 HA GLU 6 HA GLU 6 -8.356 4.051 -1.223 31 HB2 GLU 6 HB2 GLU 6 -6.162 3.140 -2.512 32 HB3 GLU 6 HB1 GLU 6 -7.120 1.675 -2.543 33 HG2 GLU 6 HG2 GLU 6 -7.926 4.343 -3.672 34 HG3 GLU 6 HG1 GLU 6 -7.357 2.936 -4.569 35 H LYS 7 H LYS 7 -10.247 2.787 -1.675 36 HA LYS 7 HA LYS 7 -10.800 0.977 0.516 37 HB2 LYS 7 HB2 LYS 7 -13.108 1.330 0.065 38 HB3 LYS 7 HB1 LYS 7 -12.283 2.880 0.032 39 HG2 LYS 7 HG2 LYS 7 -12.182 2.560 -2.506 40 HG3 LYS 7 HG1 LYS 7 -13.370 1.286 -2.262 41 HD2 LYS 7 HD2 LYS 7 -14.629 3.210 -2.737 42 HD3 LYS 7 HD1 LYS 7 -14.686 2.976 -0.979 43 HE2 LYS 7 HE2 LYS 7 -14.293 5.338 -1.621 44 HE3 LYS 7 HE1 LYS 7 -13.021 4.658 -0.615 45 HZ1 LYS 7 HZ1 LYS 7 -12.072 5.917 -2.384 46 HZ2 LYS 7 HZ2 LYS 7 -12.945 5.104 -3.552 47 HZ3 LYS 7 HZ3 LYS 7 -11.701 4.312 -2.736 48 H ASN 8 H ASN 8 -10.633 0.847 -2.899 49 HA ASN 8 HA ASN 8 -11.791 -1.835 -2.954 50 HB2 ASN 8 HB2 ASN 8 -10.779 -0.087 -5.211 51 HB3 ASN 8 HB1 ASN 8 -11.412 -1.710 -5.441 52 HD21 ASN 8 HD21 ASN 8 -12.356 0.827 -6.488 53 HD22 ASN 8 HD22 ASN 8 -13.990 0.969 -5.983 54 H PHE 9 H PHE 9 -8.797 -0.223 -3.149 55 HA PHE 9 HA PHE 9 -7.199 -2.457 -3.998 56 HB2 PHE 9 HB2 PHE 9 -6.559 0.042 -3.936 57 HB3 PHE 9 HB1 PHE 9 -6.238 -0.240 -2.221 58 HD1 PHE 9 HD1 PHE 9 -4.378 -1.545 -1.512 59 HD2 PHE 9 HD2 PHE 9 -5.312 -1.105 -5.610 60 HE1 PHE 9 HE1 PHE 9 -2.226 -2.529 -2.098 61 HE2 PHE 9 HE2 PHE 9 -3.199 -2.066 -6.226 62 HZ PHE 9 HZ PHE 9 -1.596 -2.790 -4.456 63 H ASP 10 H ASP 10 -6.318 -4.062 -2.768 64 HA ASP 10 HA ASP 10 -7.407 -4.262 -0.092 65 HB2 ASP 10 HB2 ASP 10 -7.579 -6.166 -1.721 66 HB3 ASP 10 HB1 ASP 10 -5.835 -6.340 -1.605 67 H CYS 11 H CYS 11 -6.194 -2.921 1.085 68 HA CYS 11 HA CYS 11 -3.364 -2.807 0.986 69 HB2 CYS 11 HB2 CYS 11 -5.275 -1.792 3.099 70 HB3 CYS 11 HB1 CYS 11 -3.580 -1.344 2.943 71 H ARG 12 H ARG 12 -5.688 -4.607 2.887 72 HA ARG 12 HA ARG 12 -3.909 -5.302 5.011 73 HB2 ARG 12 HB2 ARG 12 -6.453 -6.678 4.150 74 HB3 ARG 12 HB1 ARG 12 -5.632 -6.890 5.688 75 HG2 ARG 12 HG2 ARG 12 -6.875 -4.339 4.695 76 HG3 ARG 12 HG1 ARG 12 -7.577 -5.433 5.885 77 HD2 ARG 12 HD2 ARG 12 -5.743 -4.974 7.415 78 HD3 ARG 12 HD1 ARG 12 -4.947 -3.977 6.197 79 HE ARG 12 HE ARG 12 -7.272 -2.782 6.367 80 HH11 ARG 12 HH11 ARG 12 -5.150 -3.876 9.009 81 HH12 ARG 12 HH12 ARG 12 -5.612 -2.626 10.061 82 HH21 ARG 12 HH21 ARG 12 -7.894 -1.080 7.855 83 HH22 ARG 12 HH22 ARG 12 -7.180 -1.047 9.409 84 H ARG 13 H ARG 13 -5.116 -7.080 2.201 85 HA ARG 13 HA ARG 13 -3.548 -9.354 2.732 86 HB2 ARG 13 HB2 ARG 13 -5.481 -9.610 1.401 87 HB3 ARG 13 HB1 ARG 13 -4.969 -8.365 0.287 88 HG2 ARG 13 HG2 ARG 13 -3.299 -9.788 -0.636 89 HG3 ARG 13 HG1 ARG 13 -3.588 -11.013 0.602 90 HD2 ARG 13 HD2 ARG 13 -4.663 -11.464 -1.624 91 HD3 ARG 13 HD1 ARG 13 -5.754 -11.489 -0.244 92 HE ARG 13 HE ARG 13 -6.435 -9.218 -0.893 93 HH11 ARG 13 HH11 ARG 13 -5.024 -11.326 -3.349 94 HH12 ARG 13 HH12 ARG 13 -5.759 -10.529 -4.658 95 HH21 ARG 13 HH21 ARG 13 -7.487 -8.188 -2.661 96 HH22 ARG 13 HH22 ARG 13 -7.185 -8.666 -4.267 97 H SER 14 H SER 14 -2.964 -6.496 0.687 98 HA SER 14 HA SER 14 -0.534 -7.390 -0.393 99 HB2 SER 14 HB2 SER 14 -1.396 -4.552 0.246 100 HB3 SER 14 HB1 SER 14 -0.074 -4.983 -0.836 101 HG SER 14 HG SER 14 -2.800 -5.067 -1.209 102 H LEU 15 H LEU 15 -1.275 -5.831 2.664 103 HA LEU 15 HA LEU 15 1.354 -5.412 3.560 104 HB2 LEU 15 HB2 LEU 15 -0.629 -4.316 4.508 105 HB3 LEU 15 HB1 LEU 15 -1.204 -5.855 5.096 106 HG LEU 15 HG LEU 15 0.682 -5.970 6.670 107 HD11 LEU 15 HD11 LEU 15 1.365 -3.230 5.607 108 HD12 LEU 15 HD12 LEU 15 2.306 -4.705 5.375 109 HD13 LEU 15 HD13 LEU 15 2.119 -4.025 6.992 110 HD21 LEU 15 HD21 LEU 15 -1.440 -4.948 7.330 111 HD22 LEU 15 HD22 LEU 15 -0.837 -3.375 6.796 112 HD23 LEU 15 HD23 LEU 15 -0.068 -4.200 8.151 113 H ARG 16 H ARG 16 -0.922 -8.067 3.981 114 HA ARG 16 HA ARG 16 0.785 -9.660 5.592 115 HB2 ARG 16 HB2 ARG 16 -1.608 -10.391 3.929 116 HB3 ARG 16 HB1 ARG 16 -0.767 -11.536 4.961 117 HG2 ARG 16 HG2 ARG 16 -1.315 -10.159 6.909 118 HG3 ARG 16 HG1 ARG 16 -2.150 -9.017 5.854 119 HD2 ARG 16 HD2 ARG 16 -3.713 -10.555 6.937 120 HD3 ARG 16 HD1 ARG 16 -3.714 -10.745 5.183 121 HE ARG 16 HE ARG 16 -1.909 -12.555 6.381 122 HH11 ARG 16 HH11 ARG 16 -5.367 -12.062 5.868 123 HH12 ARG 16 HH12 ARG 16 -5.795 -13.701 6.059 124 HH21 ARG 16 HH21 ARG 16 -2.480 -14.858 6.602 125 HH22 ARG 16 HH22 ARG 16 -4.117 -15.313 6.477 126 H ASN 17 H ASN 17 0.374 -9.404 2.128 127 HA ASN 17 HA ASN 17 1.769 -11.784 1.403 128 HB2 ASN 17 HB2 ASN 17 1.468 -9.220 -0.163 129 HB3 ASN 17 HB1 ASN 17 2.114 -10.719 -0.793 130 HD21 ASN 17 HD21 ASN 17 -0.064 -9.119 -1.602 131 HD22 ASN 17 HD22 ASN 17 -1.482 -10.126 -1.631 132 H GLY 18 H GLY 18 2.738 -8.443 1.740 133 HA2 GLY 18 HA2 GLY 18 5.062 -8.124 2.613 134 HA3 GLY 18 HA1 GLY 18 5.526 -9.322 1.418 135 H ASP 19 H ASP 19 3.027 -7.375 0.285 136 HA ASP 19 HA ASP 19 4.659 -6.202 -1.750 137 HB2 ASP 19 HB2 ASP 19 1.813 -5.573 -0.937 138 HB3 ASP 19 HB1 ASP 19 2.589 -4.986 -2.400 139 H CYS 20 H CYS 20 3.352 -5.260 1.275 140 HA CYS 20 HA CYS 20 3.941 -2.455 0.986 141 HB2 CYS 20 HB2 CYS 20 1.949 -3.222 2.197 142 HB3 CYS 20 HB1 CYS 20 2.961 -4.104 3.324 143 H ASP 21 H ASP 21 5.795 -5.075 1.476 144 HA ASP 21 HA ASP 21 7.733 -3.652 3.187 145 HB2 ASP 21 HB2 ASP 21 6.945 -5.739 4.189 146 HB3 ASP 21 HB1 ASP 21 7.326 -6.621 2.719 147 H ASN 22 H ASN 22 7.005 -4.601 0.073 148 HA ASN 22 HA ASN 22 9.730 -5.167 -0.736 149 HB2 ASN 22 HB2 ASN 22 7.953 -6.548 -1.676 150 HB3 ASN 22 HB1 ASN 22 7.159 -5.134 -2.345 151 HD21 ASN 22 HD21 ASN 22 8.233 -7.602 -3.599 152 HD22 ASN 22 HD22 ASN 22 9.331 -7.044 -4.822 153 H ASP 23 H ASP 23 11.033 -3.760 -1.391 154 HA ASP 23 HA ASP 23 10.734 -1.034 -1.291 155 HB2 ASP 23 HB2 ASP 23 12.891 -2.064 -1.209 156 HB3 ASP 23 HB1 ASP 23 12.717 -2.660 -2.854 157 H ASP 24 H ASP 24 10.552 -3.064 -4.208 158 HA ASP 24 HA ASP 24 10.349 -0.892 -6.041 159 HB2 ASP 24 HB2 ASP 24 9.420 -3.758 -6.361 160 HB3 ASP 24 HB1 ASP 24 9.394 -2.570 -7.650 161 H LYS 25 H LYS 25 8.060 -2.689 -4.186 162 HA LYS 25 HA LYS 25 5.819 -1.567 -5.608 163 HB2 LYS 25 HB2 LYS 25 6.041 -3.615 -3.439 164 HB3 LYS 25 HB1 LYS 25 4.494 -2.848 -3.768 165 HG2 LYS 25 HG2 LYS 25 4.603 -4.940 -4.885 166 HG3 LYS 25 HG1 LYS 25 4.662 -3.658 -6.090 167 HD2 LYS 25 HD2 LYS 25 7.095 -3.950 -6.242 168 HD3 LYS 25 HD1 LYS 25 7.002 -5.256 -5.055 169 HE2 LYS 25 HE2 LYS 25 5.499 -6.471 -6.521 170 HE3 LYS 25 HE1 LYS 25 5.615 -5.170 -7.706 171 HZ1 LYS 25 HZ1 LYS 25 8.016 -5.631 -7.862 172 HZ2 LYS 25 HZ2 LYS 25 7.094 -6.946 -8.320 173 HZ3 LYS 25 HZ3 LYS 25 7.842 -6.934 -6.818 174 H LEU 26 H LEU 26 7.725 -0.602 -3.021 175 HA LEU 26 HA LEU 26 5.817 0.493 -1.318 176 HB2 LEU 26 HB2 LEU 26 8.640 1.416 -1.803 177 HB3 LEU 26 HB1 LEU 26 7.617 2.051 -0.530 178 HG LEU 26 HG LEU 26 8.606 -0.784 -0.798 179 HD11 LEU 26 HD11 LEU 26 9.224 1.356 1.223 180 HD12 LEU 26 HD12 LEU 26 10.310 0.758 -0.033 181 HD13 LEU 26 HD13 LEU 26 9.799 -0.310 1.274 182 HD21 LEU 26 HD21 LEU 26 6.374 -0.816 0.111 183 HD22 LEU 26 HD22 LEU 26 6.788 0.454 1.257 184 HD23 LEU 26 HD23 LEU 26 7.534 -1.140 1.399 185 H LEU 27 H LEU 27 7.153 1.843 -4.277 186 HA LEU 27 HA LEU 27 6.215 4.427 -4.092 187 HB2 LEU 27 HB2 LEU 27 7.672 3.788 -5.834 188 HB3 LEU 27 HB1 LEU 27 6.592 2.501 -6.351 189 HG LEU 27 HG LEU 27 4.975 4.206 -6.920 190 HD11 LEU 27 HD11 LEU 27 5.786 6.127 -5.704 191 HD12 LEU 27 HD12 LEU 27 5.811 6.515 -7.425 192 HD13 LEU 27 HD13 LEU 27 7.309 6.096 -6.592 193 HD21 LEU 27 HD21 LEU 27 7.565 4.166 -8.426 194 HD22 LEU 27 HD22 LEU 27 6.014 4.727 -9.087 195 HD23 LEU 27 HD23 LEU 27 6.204 3.050 -8.550 196 H GLU 28 H GLU 28 4.681 1.501 -5.403 197 HA GLU 28 HA GLU 28 2.222 2.678 -6.107 198 HB2 GLU 28 HB2 GLU 28 3.019 0.540 -7.058 199 HB3 GLU 28 HB1 GLU 28 2.893 -0.205 -5.478 200 HG2 GLU 28 HG2 GLU 28 0.518 0.020 -5.496 201 HG3 GLU 28 HG1 GLU 28 0.573 0.939 -7.003 202 H MET 29 H MET 29 3.531 1.400 -3.214 203 HA MET 29 HA MET 29 1.020 1.046 -1.877 204 HB2 MET 29 HB2 MET 29 3.841 1.102 -0.788 205 HB3 MET 29 HB1 MET 29 2.428 0.781 0.195 206 HG2 MET 29 HG2 MET 29 2.990 -0.923 -2.199 207 HG3 MET 29 HG1 MET 29 3.894 -1.181 -0.720 208 HE1 MET 29 HE1 MET 29 -0.688 -1.854 -1.063 209 HE2 MET 29 HE2 MET 29 0.288 -1.185 -2.379 210 HE3 MET 29 3HE MET 29 -0.056 -0.227 -0.929 211 H GLY 30 H GLY 30 3.357 3.563 -2.249 212 HA2 GLY 30 HA2 GLY 30 2.571 5.206 -0.114 213 HA3 GLY 30 HA1 GLY 30 3.420 5.737 -1.552 214 H TYR 31 H TYR 31 1.220 4.791 -3.305 215 HA TYR 31 HA TYR 31 -0.529 6.971 -2.610 216 HB2 TYR 31 HB2 TYR 31 -1.330 7.031 -4.973 217 HB3 TYR 31 HB1 TYR 31 0.349 7.460 -4.658 218 HD1 TYR 31 HD1 TYR 31 2.144 6.215 -5.631 219 HD2 TYR 31 HD2 TYR 31 -1.884 4.980 -6.145 220 HE1 TYR 31 HE1 TYR 31 2.843 4.762 -7.411 221 HE2 TYR 31 HE2 TYR 31 -1.201 3.494 -7.934 222 HH TYR 31 HH TYR 31 2.107 2.786 -8.600 223 H TYR 32 H TYR 32 -0.706 3.673 -3.420 224 HA TYR 32 HA TYR 32 -3.558 3.648 -3.217 225 HB2 TYR 32 HB2 TYR 32 -1.585 1.425 -3.441 226 HB3 TYR 32 HB1 TYR 32 -3.237 1.071 -2.955 227 HD1 TYR 32 HD1 TYR 32 -1.144 1.213 -5.691 228 HD2 TYR 32 HD2 TYR 32 -5.025 2.384 -4.460 229 HE1 TYR 32 HE1 TYR 32 -1.871 1.262 -8.044 230 HE2 TYR 32 HE2 TYR 32 -5.770 2.440 -6.766 231 HH TYR 32 HH TYR 32 -3.963 1.102 -9.315 232 H CYS 33 H CYS 33 -1.049 2.696 -0.870 233 HA CYS 33 HA CYS 33 -3.159 2.890 1.135 234 HB2 CYS 33 HB2 CYS 33 -1.154 0.624 1.077 235 HB3 CYS 33 HB1 CYS 33 -2.461 0.864 2.233 236 HA PRO 34 HA PRO 34 0.828 5.188 2.029 237 HB2 PRO 34 HB2 PRO 34 -0.345 7.510 2.825 238 HB3 PRO 34 HB1 PRO 34 0.055 7.154 1.140 239 HG2 PRO 34 HG2 PRO 34 -2.554 6.817 2.568 240 HG3 PRO 34 HG1 PRO 34 -2.255 7.565 0.997 241 HD2 PRO 34 HD2 PRO 34 -3.152 5.090 1.162 242 HD3 PRO 34 HD1 PRO 34 -1.928 5.514 -0.054 243 H VAL 35 H VAL 35 -2.130 4.663 3.757 244 HA VAL 35 HA VAL 35 -0.938 5.515 6.228 245 HB VAL 35 HB VAL 35 -3.695 4.385 5.737 246 HG11 VAL 35 HG11 VAL 35 -4.207 5.243 7.983 247 HG12 VAL 35 HG12 VAL 35 -2.517 5.729 8.168 248 HG13 VAL 35 3HG1 VAL 35 -2.931 4.021 8.038 249 HG21 VAL 35 HG21 VAL 35 -4.413 6.721 5.940 250 HG22 VAL 35 HG22 VAL 35 -3.234 6.501 4.626 251 HG23 VAL 35 HG23 VAL 35 -2.721 7.200 6.150 252 H THR 36 H THR 36 -2.211 2.554 4.814 253 HA THR 36 HA THR 36 -1.726 0.770 6.882 254 HB THR 36 HB THR 36 -1.478 0.194 3.923 255 HG1 THR 36 HG1 THR 36 -3.442 1.182 4.294 256 HG21 THR 36 HG21 THR 36 -0.749 -1.662 5.371 257 HG22 THR 36 HG22 THR 36 -2.256 -2.061 4.550 258 HG23 THR 36 HG23 THR 36 -2.277 -1.581 6.246 259 H CYS 37 H CYS 37 0.486 1.845 4.351 260 HA CYS 37 HA CYS 37 2.610 0.232 5.429 261 HB2 CYS 37 HB2 CYS 37 2.473 2.076 3.081 262 HB3 CYS 37 HB1 CYS 37 3.937 1.196 3.534 263 H GLY 38 H GLY 38 1.395 3.005 6.504 264 HA2 GLY 38 HA2 GLY 38 2.161 4.403 8.106 265 HA3 GLY 38 HA1 GLY 38 3.653 3.487 8.135 266 H PHE 39 H PHE 39 2.380 5.243 5.348 267 HA PHE 39 HA PHE 39 4.755 6.936 5.336 268 HB2 PHE 39 HB2 PHE 39 2.360 6.867 3.477 269 HB3 PHE 39 HB1 PHE 39 3.761 7.898 3.262 270 HD1 PHE 39 HD1 PHE 39 5.908 6.932 2.612 271 HD2 PHE 39 HD2 PHE 39 2.388 4.593 2.906 272 HE1 PHE 39 HE1 PHE 39 6.982 5.189 1.246 273 HE2 PHE 39 HE2 PHE 39 3.461 2.823 1.514 274 HZ PHE 39 HZ PHE 39 5.752 3.131 0.700 275 HA CYS 40 HA CYS 40 1.507 9.776 6.833 276 HB2 CYS 40 HB2 CYS 40 -0.851 8.313 5.623 277 HB3 CYS 40 HB1 CYS 40 -0.868 9.964 6.229 278 HN1 NH2 41 H1 CYS 40 1.990 9.117 8.927 279 HN2 NH2 41 H2 CYS 40 0.882 8.218 9.905 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 -6.880 16.544 0.327 2 H2 GLU 1 HT2 GLU 1 -6.474 18.178 0.343 3 H3 GLU 1 HT3 GLU 1 -6.980 17.429 1.758 4 HA GLU 1 HA GLU 1 -4.503 16.886 0.233 5 HB2 GLU 1 HB2 GLU 1 -4.483 19.005 1.576 6 HB3 GLU 1 HB1 GLU 1 -4.880 18.010 2.983 7 HG2 GLU 1 HG2 GLU 1 -2.517 18.580 2.933 8 HG3 GLU 1 HG1 GLU 1 -2.814 16.844 2.836 9 H HIS 2 H HIS 2 -6.570 16.067 3.018 10 HA HIS 2 HA HIS 2 -4.968 14.314 4.366 11 HB2 HIS 2 HB2 HIS 2 -7.090 15.108 5.233 12 HB3 HIS 2 HB1 HIS 2 -7.961 14.266 3.965 13 HD1 HIS 2 HD1 HIS 2 -9.095 12.265 4.873 14 HD2 HIS 2 HD2 HIS 2 -5.507 13.014 6.823 15 HE1 HIS 2 HE1 HIS 2 -8.860 10.473 6.614 16 H CYS 3 H CYS 3 -3.895 12.762 3.611 17 HA CYS 3 HA CYS 3 -4.643 11.206 1.357 18 HB2 CYS 3 HB2 CYS 3 -2.562 9.873 1.935 19 HB3 CYS 3 HB1 CYS 3 -2.305 11.594 1.663 20 H ALA 4 H ALA 4 -5.499 9.188 1.238 21 HA ALA 4 HA ALA 4 -5.962 7.694 3.681 22 HB1 ALA 4 HB1 ALA 4 -7.953 9.097 3.402 23 HB2 ALA 4 HB2 ALA 4 -8.323 7.393 3.130 24 HB3 ALA 4 HB3 ALA 4 -8.146 8.488 1.758 25 H ASP 5 H ASP 5 -6.122 5.548 3.334 26 HA ASP 5 HA ASP 5 -4.893 4.343 1.128 27 HB2 ASP 5 HB2 ASP 5 -6.868 3.038 3.000 28 HB3 ASP 5 HB1 ASP 5 -5.648 2.226 2.031 29 H GLU 6 H GLU 6 -5.596 3.329 -0.708 30 HA GLU 6 HA GLU 6 -8.042 4.113 -1.860 31 HB2 GLU 6 HB2 GLU 6 -6.024 3.763 -3.209 32 HB3 GLU 6 HB1 GLU 6 -5.954 2.086 -2.711 33 HG2 GLU 6 HG2 GLU 6 -6.762 2.391 -4.971 34 HG3 GLU 6 HG1 GLU 6 -7.938 1.587 -3.929 35 H LYS 7 H LYS 7 -9.891 3.024 -2.097 36 HA LYS 7 HA LYS 7 -10.340 0.738 -0.357 37 HB2 LYS 7 HB2 LYS 7 -12.706 1.099 -0.772 38 HB3 LYS 7 HB1 LYS 7 -11.913 2.571 -0.250 39 HG2 LYS 7 HG2 LYS 7 -11.855 3.361 -2.545 40 HG3 LYS 7 HG1 LYS 7 -12.666 1.887 -3.080 41 HD2 LYS 7 HD2 LYS 7 -14.356 3.563 -2.867 42 HD3 LYS 7 HD1 LYS 7 -14.487 2.427 -1.512 43 HE2 LYS 7 HE2 LYS 7 -14.784 4.731 -0.743 44 HE3 LYS 7 HE1 LYS 7 -13.344 4.012 -0.038 45 HZ1 LYS 7 HZ1 LYS 7 -13.402 5.897 -2.339 46 HZ2 LYS 7 HZ2 LYS 7 -12.012 5.228 -1.704 47 HZ3 LYS 7 HZ3 LYS 7 -12.944 6.266 -0.769 48 H ASN 8 H ASN 8 -9.851 1.399 -3.593 49 HA ASN 8 HA ASN 8 -11.088 -1.036 -4.635 50 HB2 ASN 8 HB2 ASN 8 -9.381 1.039 -6.039 51 HB3 ASN 8 HB1 ASN 8 -10.206 -0.290 -6.834 52 HD21 ASN 8 HD21 ASN 8 -12.639 0.022 -5.126 53 HD22 ASN 8 HD22 ASN 8 -13.414 1.424 -5.717 54 H PHE 9 H PHE 9 -8.729 -0.875 -2.758 55 HA PHE 9 HA PHE 9 -6.996 -2.865 -4.020 56 HB2 PHE 9 HB2 PHE 9 -6.148 -0.448 -4.254 57 HB3 PHE 9 HB1 PHE 9 -6.012 -0.463 -2.501 58 HD1 PHE 9 HD1 PHE 9 -4.077 -1.230 -1.528 59 HD2 PHE 9 HD2 PHE 9 -5.030 -2.331 -5.502 60 HE1 PHE 9 HE1 PHE 9 -1.872 -2.260 -1.758 61 HE2 PHE 9 HE2 PHE 9 -2.884 -3.360 -5.765 62 HZ PHE 9 HZ PHE 9 -1.235 -3.311 -3.872 63 H ASP 10 H ASP 10 -6.359 -4.333 -2.328 64 HA ASP 10 HA ASP 10 -7.537 -3.629 0.236 65 HB2 ASP 10 HB2 ASP 10 -8.235 -5.837 -0.714 66 HB3 ASP 10 HB1 ASP 10 -6.567 -6.389 -0.511 67 H CYS 11 H CYS 11 -6.293 -2.579 1.384 68 HA CYS 11 HA CYS 11 -3.516 -2.559 1.208 69 HB2 CYS 11 HB2 CYS 11 -5.328 -1.457 3.349 70 HB3 CYS 11 HB1 CYS 11 -3.648 -1.009 3.069 71 H ARG 12 H ARG 12 -5.694 -4.366 3.311 72 HA ARG 12 HA ARG 12 -3.770 -5.076 5.291 73 HB2 ARG 12 HB2 ARG 12 -6.195 -6.636 4.399 74 HB3 ARG 12 HB1 ARG 12 -5.289 -6.899 5.877 75 HG2 ARG 12 HG2 ARG 12 -6.795 -4.394 5.211 76 HG3 ARG 12 HG1 ARG 12 -7.421 -5.712 6.203 77 HD2 ARG 12 HD2 ARG 12 -5.667 -5.303 7.830 78 HD3 ARG 12 HD1 ARG 12 -4.981 -4.042 6.798 79 HE ARG 12 HE ARG 12 -7.625 -3.426 7.156 80 HH11 ARG 12 HH11 ARG 12 -4.813 -3.739 9.291 81 HH12 ARG 12 HH12 ARG 12 -5.323 -2.533 10.363 82 HH21 ARG 12 HH21 ARG 12 -8.318 -1.782 8.635 83 HH22 ARG 12 HH22 ARG 12 -7.360 -1.403 9.996 84 H ARG 13 H ARG 13 -5.030 -6.735 2.452 85 HA ARG 13 HA ARG 13 -3.656 -9.106 2.522 86 HB2 ARG 13 HB2 ARG 13 -5.511 -8.506 1.039 87 HB3 ARG 13 HB1 ARG 13 -4.429 -7.474 0.127 88 HG2 ARG 13 HG2 ARG 13 -3.169 -9.365 -0.625 89 HG3 ARG 13 HG1 ARG 13 -4.097 -10.445 0.425 90 HD2 ARG 13 HD2 ARG 13 -5.151 -8.826 -1.881 91 HD3 ARG 13 HD1 ARG 13 -4.970 -10.585 -1.818 92 HE ARG 13 HE ARG 13 -6.520 -10.078 0.306 93 HH11 ARG 13 HH11 ARG 13 -6.838 -9.193 -3.087 94 HH12 ARG 13 HH12 ARG 13 -8.537 -9.130 -3.061 95 HH21 ARG 13 HH21 ARG 13 -8.841 -9.875 0.373 96 HH22 ARG 13 HH22 ARG 13 -9.692 -9.465 -1.045 97 H SER 14 H SER 14 -2.711 -6.191 0.678 98 HA SER 14 HA SER 14 -0.312 -7.237 -0.259 99 HB2 SER 14 HB2 SER 14 -1.062 -4.357 0.227 100 HB3 SER 14 HB1 SER 14 0.188 -4.939 -0.877 101 HG SER 14 HG SER 14 -1.271 -5.242 -2.278 102 H LEU 15 H LEU 15 -1.056 -5.543 2.738 103 HA LEU 15 HA LEU 15 1.636 -5.092 3.546 104 HB2 LEU 15 HB2 LEU 15 -0.582 -4.012 4.401 105 HB3 LEU 15 HB1 LEU 15 -0.728 -5.426 5.407 106 HG LEU 15 HG LEU 15 0.098 -3.485 6.654 107 HD11 LEU 15 HD11 LEU 15 2.064 -4.434 7.721 108 HD12 LEU 15 HD12 LEU 15 2.208 -5.603 6.408 109 HD13 LEU 15 HD13 LEU 15 0.799 -5.637 7.469 110 HD21 LEU 15 HD21 LEU 15 2.306 -2.545 6.237 111 HD22 LEU 15 HD22 LEU 15 1.232 -2.316 4.857 112 HD23 LEU 15 HD23 LEU 15 2.477 -3.564 4.811 113 H ARG 16 H ARG 16 -0.748 -7.630 4.099 114 HA ARG 16 HA ARG 16 0.733 -9.265 5.850 115 HB2 ARG 16 HB2 ARG 16 -1.512 -9.894 3.943 116 HB3 ARG 16 HB1 ARG 16 -0.809 -11.096 5.008 117 HG2 ARG 16 HG2 ARG 16 -1.545 -9.875 6.949 118 HG3 ARG 16 HG1 ARG 16 -2.109 -8.542 5.935 119 HD2 ARG 16 HD2 ARG 16 -3.940 -10.038 6.682 120 HD3 ARG 16 HD1 ARG 16 -3.783 -9.951 4.929 121 HE ARG 16 HE ARG 16 -2.357 -12.142 6.134 122 HH11 ARG 16 HH11 ARG 16 -5.517 -11.156 4.885 123 HH12 ARG 16 HH12 ARG 16 -5.993 -12.727 4.441 124 HH21 ARG 16 HH21 ARG 16 -3.005 -14.274 5.536 125 HH22 ARG 16 HH22 ARG 16 -4.535 -14.543 4.794 126 H ASN 17 H ASN 17 0.378 -9.348 2.318 127 HA ASN 17 HA ASN 17 1.868 -11.678 1.769 128 HB2 ASN 17 HB2 ASN 17 1.697 -9.201 0.054 129 HB3 ASN 17 HB1 ASN 17 2.195 -10.794 -0.475 130 HD21 ASN 17 HD21 ASN 17 0.149 -9.034 -1.349 131 HD22 ASN 17 HD22 ASN 17 -1.344 -9.918 -1.313 132 H GLY 18 H GLY 18 2.807 -8.409 2.319 133 HA2 GLY 18 HA2 GLY 18 5.020 -7.891 3.174 134 HA3 GLY 18 HA1 GLY 18 5.615 -9.275 2.266 135 H ASP 19 H ASP 19 3.291 -7.355 0.703 136 HA ASP 19 HA ASP 19 5.077 -6.776 -1.433 137 HB2 ASP 19 HB2 ASP 19 2.255 -5.805 -0.930 138 HB3 ASP 19 HB1 ASP 19 3.180 -5.425 -2.373 139 H CYS 20 H CYS 20 4.020 -5.058 1.382 140 HA CYS 20 HA CYS 20 4.985 -2.532 0.334 141 HB2 CYS 20 HB2 CYS 20 2.968 -2.690 1.876 142 HB3 CYS 20 HB1 CYS 20 4.079 -3.131 3.162 143 H ASP 21 H ASP 21 6.345 -5.233 1.626 144 HA ASP 21 HA ASP 21 8.591 -3.745 2.762 145 HB2 ASP 21 HB2 ASP 21 7.793 -5.664 4.063 146 HB3 ASP 21 HB1 ASP 21 7.981 -6.714 2.667 147 H ASN 22 H ASN 22 7.475 -4.998 -0.097 148 HA ASN 22 HA ASN 22 10.063 -5.655 -1.207 149 HB2 ASN 22 HB2 ASN 22 8.202 -7.089 -1.848 150 HB3 ASN 22 HB1 ASN 22 7.297 -5.701 -2.428 151 HD21 ASN 22 HD21 ASN 22 7.126 -6.731 -4.440 152 HD22 ASN 22 HD22 ASN 22 8.442 -6.776 -5.554 153 H ASP 23 H ASP 23 11.275 -4.241 -2.205 154 HA ASP 23 HA ASP 23 10.697 -1.514 -2.306 155 HB2 ASP 23 HB2 ASP 23 12.985 -2.319 -2.242 156 HB3 ASP 23 HB1 ASP 23 12.809 -3.033 -3.838 157 H ASP 24 H ASP 24 10.379 -3.970 -4.754 158 HA ASP 24 HA ASP 24 9.869 -2.326 -6.983 159 HB2 ASP 24 HB2 ASP 24 10.397 -4.687 -7.259 160 HB3 ASP 24 HB1 ASP 24 8.923 -5.143 -6.416 161 H LYS 25 H LYS 25 7.843 -3.185 -4.299 162 HA LYS 25 HA LYS 25 5.526 -2.100 -5.697 163 HB2 LYS 25 HB2 LYS 25 5.671 -4.095 -3.448 164 HB3 LYS 25 HB1 LYS 25 4.182 -3.335 -3.989 165 HG2 LYS 25 HG2 LYS 25 5.971 -5.146 -5.586 166 HG3 LYS 25 HG1 LYS 25 4.340 -5.491 -4.989 167 HD2 LYS 25 HD2 LYS 25 3.637 -3.423 -6.283 168 HD3 LYS 25 HD1 LYS 25 5.197 -3.527 -7.066 169 HE2 LYS 25 HE2 LYS 25 4.732 -5.717 -7.914 170 HE3 LYS 25 HE1 LYS 25 3.185 -5.752 -7.059 171 HZ1 LYS 25 HZ1 LYS 25 2.859 -5.166 -9.373 172 HZ2 LYS 25 HZ2 LYS 25 3.948 -3.892 -9.234 173 HZ3 LYS 25 HZ3 LYS 25 2.486 -3.827 -8.397 174 H LEU 26 H LEU 26 7.759 -0.913 -3.831 175 HA LEU 26 HA LEU 26 6.376 0.094 -1.620 176 HB2 LEU 26 HB2 LEU 26 8.858 1.057 -2.988 177 HB3 LEU 26 HB1 LEU 26 8.167 1.898 -1.615 178 HG LEU 26 HG LEU 26 9.040 -0.978 -1.565 179 HD11 LEU 26 HD11 LEU 26 10.404 1.514 -0.521 180 HD12 LEU 26 HD12 LEU 26 10.954 0.537 -1.878 181 HD13 LEU 26 HD13 LEU 26 10.952 -0.139 -0.248 182 HD21 LEU 26 HD21 LEU 26 8.210 0.930 0.614 183 HD22 LEU 26 HD22 LEU 26 8.869 -0.684 0.868 184 HD23 LEU 26 HD23 LEU 26 7.317 -0.488 0.060 185 H LEU 27 H LEU 27 6.828 1.561 -4.833 186 HA LEU 27 HA LEU 27 5.548 3.992 -4.065 187 HB2 LEU 27 HB2 LEU 27 5.780 2.832 -6.862 188 HB3 LEU 27 HB1 LEU 27 5.182 4.421 -6.481 189 HG LEU 27 HG LEU 27 7.369 4.656 -7.326 190 HD11 LEU 27 HD11 LEU 27 8.558 5.733 -5.497 191 HD12 LEU 27 HD12 LEU 27 7.455 4.982 -4.345 192 HD13 LEU 27 HD13 LEU 27 6.844 6.144 -5.521 193 HD21 LEU 27 HD21 LEU 27 9.315 3.543 -6.361 194 HD22 LEU 27 HD22 LEU 27 8.088 2.397 -6.965 195 HD23 LEU 27 HD23 LEU 27 8.222 2.710 -5.236 196 H GLU 28 H GLU 28 4.549 1.024 -5.498 197 HA GLU 28 HA GLU 28 1.893 1.637 -6.067 198 HB2 GLU 28 HB2 GLU 28 3.069 -0.386 -6.864 199 HB3 GLU 28 HB1 GLU 28 3.077 -1.013 -5.226 200 HG2 GLU 28 HG2 GLU 28 0.656 -1.111 -5.234 201 HG3 GLU 28 HG1 GLU 28 0.622 -0.445 -6.869 202 H MET 29 H MET 29 3.488 0.647 -3.109 203 HA MET 29 HA MET 29 0.994 0.282 -1.762 204 HB2 MET 29 HB2 MET 29 3.853 0.079 -0.941 205 HB3 MET 29 HB1 MET 29 2.567 0.026 0.272 206 HG2 MET 29 HG2 MET 29 3.069 -1.847 -2.025 207 HG3 MET 29 HG1 MET 29 3.168 -2.202 -0.305 208 HE1 MET 29 HE1 MET 29 0.523 -0.524 0.636 209 HE2 MET 29 HE2 MET 29 0.962 -2.084 1.338 210 HE3 MET 29 3HE MET 29 -0.670 -1.821 0.714 211 H GLY 30 H GLY 30 3.285 2.717 -2.207 212 HA2 GLY 30 HA2 GLY 30 2.404 4.388 -0.057 213 HA3 GLY 30 HA1 GLY 30 3.426 4.885 -1.398 214 H TYR 31 H TYR 31 1.799 4.316 -3.561 215 HA TYR 31 HA TYR 31 -0.003 6.478 -3.205 216 HB2 TYR 31 HB2 TYR 31 -0.528 6.426 -5.536 217 HB3 TYR 31 HB1 TYR 31 1.216 6.467 -5.224 218 HD1 TYR 31 HD1 TYR 31 2.645 4.867 -6.423 219 HD2 TYR 31 HD2 TYR 31 -1.589 4.324 -6.221 220 HE1 TYR 31 HE1 TYR 31 2.788 3.148 -8.075 221 HE2 TYR 31 HE2 TYR 31 -1.441 2.582 -7.849 222 HH TYR 31 HH TYR 31 0.028 1.862 -9.651 223 H TYR 32 H TYR 32 -0.381 3.145 -3.462 224 HA TYR 32 HA TYR 32 -3.219 3.419 -3.502 225 HB2 TYR 32 HB2 TYR 32 -1.544 0.925 -3.230 226 HB3 TYR 32 HB1 TYR 32 -3.251 0.874 -2.867 227 HD1 TYR 32 HD1 TYR 32 -4.585 2.378 -4.793 228 HD2 TYR 32 HD2 TYR 32 -1.080 0.048 -5.279 229 HE1 TYR 32 HE1 TYR 32 -5.132 2.094 -7.139 230 HE2 TYR 32 HE2 TYR 32 -1.600 -0.247 -7.663 231 HH TYR 32 HH TYR 32 -3.580 -0.184 -9.089 232 H CYS 33 H CYS 33 -0.988 2.414 -0.874 233 HA CYS 33 HA CYS 33 -3.201 3.062 0.932 234 HB2 CYS 33 HB2 CYS 33 -1.359 0.696 1.224 235 HB3 CYS 33 HB1 CYS 33 -2.695 1.141 2.285 236 HA PRO 34 HA PRO 34 0.749 5.335 1.937 237 HB2 PRO 34 HB2 PRO 34 -0.436 7.712 2.533 238 HB3 PRO 34 HB1 PRO 34 0.034 7.246 0.894 239 HG2 PRO 34 HG2 PRO 34 -2.645 7.040 2.219 240 HG3 PRO 34 HG1 PRO 34 -2.255 7.665 0.611 241 HD2 PRO 34 HD2 PRO 34 -3.200 5.209 0.929 242 HD3 PRO 34 HD1 PRO 34 -1.937 5.539 -0.274 243 H VAL 35 H VAL 35 -2.293 4.974 3.554 244 HA VAL 35 HA VAL 35 -1.199 5.953 6.011 245 HB VAL 35 HB VAL 35 -3.967 4.841 5.559 246 HG11 VAL 35 HG11 VAL 35 -4.506 6.060 7.635 247 HG12 VAL 35 HG12 VAL 35 -2.807 6.514 7.789 248 HG13 VAL 35 3HG1 VAL 35 -3.277 4.821 7.908 249 HG21 VAL 35 HG21 VAL 35 -3.546 6.744 4.143 250 HG22 VAL 35 HG22 VAL 35 -2.909 7.654 5.501 251 HG23 VAL 35 HG23 VAL 35 -4.629 7.230 5.456 252 H THR 36 H THR 36 -2.322 2.942 4.636 253 HA THR 36 HA THR 36 -2.130 1.247 6.829 254 HB THR 36 HB THR 36 -1.559 0.573 3.943 255 HG1 THR 36 HG1 THR 36 -3.580 1.568 4.234 256 HG21 THR 36 HG21 THR 36 -2.525 -1.191 6.210 257 HG22 THR 36 HG22 THR 36 -0.902 -1.217 5.530 258 HG23 THR 36 HG23 THR 36 -2.275 -1.702 4.540 259 H CYS 37 H CYS 37 0.426 2.103 4.494 260 HA CYS 37 HA CYS 37 2.286 0.498 6.023 261 HB2 CYS 37 HB2 CYS 37 2.669 2.201 3.594 262 HB3 CYS 37 HB1 CYS 37 3.959 1.282 4.359 263 H GLY 38 H GLY 38 0.991 3.304 6.709 264 HA2 GLY 38 HA2 GLY 38 1.548 4.963 8.154 265 HA3 GLY 38 HA1 GLY 38 2.939 3.989 8.589 266 H PHE 39 H PHE 39 2.137 5.541 5.490 267 HA PHE 39 HA PHE 39 4.713 6.892 5.525 268 HB2 PHE 39 HB2 PHE 39 2.437 6.990 3.521 269 HB3 PHE 39 HB1 PHE 39 3.961 7.837 3.332 270 HD1 PHE 39 HD1 PHE 39 6.039 6.527 3.016 271 HD2 PHE 39 HD2 PHE 39 2.196 4.749 2.954 272 HE1 PHE 39 HE1 PHE 39 6.974 4.600 1.813 273 HE2 PHE 39 HE2 PHE 39 3.121 2.799 1.728 274 HZ PHE 39 HZ PHE 39 5.511 2.729 1.169 275 HA CYS 40 HA CYS 40 1.839 10.001 6.971 276 HB2 CYS 40 HB2 CYS 40 0.224 11.331 5.607 277 HB3 CYS 40 HB1 CYS 40 1.682 10.897 4.726 278 HN1 NH2 41 H1 CYS 40 1.064 8.968 8.724 279 HN2 NH2 41 H2 CYS 40 -0.584 8.470 8.906 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 -2.606 18.771 1.634 2 H2 GLU 1 HT2 GLU 1 -1.950 17.668 2.745 3 H3 GLU 1 HT3 GLU 1 -3.461 18.305 3.003 4 HA GLU 1 HA GLU 1 -4.368 17.167 1.137 5 HB2 GLU 1 HB2 GLU 1 -2.233 17.198 -0.203 6 HB3 GLU 1 HB1 GLU 1 -1.594 16.002 0.920 7 HG2 GLU 1 HG2 GLU 1 -3.234 14.388 0.215 8 HG3 GLU 1 HG1 GLU 1 -3.966 15.571 -0.868 9 H HIS 2 H HIS 2 -5.419 15.289 1.747 10 HA HIS 2 HA HIS 2 -4.282 13.837 4.028 11 HB2 HIS 2 HB2 HIS 2 -7.144 14.110 3.103 12 HB3 HIS 2 HB1 HIS 2 -6.642 12.847 4.212 13 HD1 HIS 2 HD1 HIS 2 -5.980 13.615 6.657 14 HD2 HIS 2 HD2 HIS 2 -7.390 16.630 4.165 15 HE1 HIS 2 HE1 HIS 2 -6.590 15.527 8.159 16 H CYS 3 H CYS 3 -3.533 11.898 3.687 17 HA CYS 3 HA CYS 3 -3.911 10.645 1.129 18 HB2 CYS 3 HB2 CYS 3 -2.325 8.971 2.043 19 HB3 CYS 3 HB1 CYS 3 -1.708 10.619 2.063 20 H ALA 4 H ALA 4 -4.799 8.518 0.848 21 HA ALA 4 HA ALA 4 -6.096 7.268 3.113 22 HB1 ALA 4 HB1 ALA 4 -8.254 7.131 1.954 23 HB2 ALA 4 HB2 ALA 4 -7.614 8.118 0.642 24 HB3 ALA 4 HB3 ALA 4 -7.802 8.810 2.253 25 H ASP 5 H ASP 5 -6.028 5.118 2.905 26 HA ASP 5 HA ASP 5 -4.716 3.808 0.737 27 HB2 ASP 5 HB2 ASP 5 -6.687 2.499 2.622 28 HB3 ASP 5 HB1 ASP 5 -5.426 1.708 1.703 29 H GLU 6 H GLU 6 -5.559 2.530 -0.908 30 HA GLU 6 HA GLU 6 -7.939 3.476 -2.092 31 HB2 GLU 6 HB2 GLU 6 -6.011 2.791 -3.428 32 HB3 GLU 6 HB1 GLU 6 -6.079 1.174 -2.765 33 HG2 GLU 6 HG2 GLU 6 -6.924 1.362 -5.046 34 HG3 GLU 6 HG1 GLU 6 -8.116 0.729 -3.908 35 H LYS 7 H LYS 7 -9.936 2.640 -2.028 36 HA LYS 7 HA LYS 7 -10.414 0.585 -0.040 37 HB2 LYS 7 HB2 LYS 7 -12.737 1.194 -0.124 38 HB3 LYS 7 HB1 LYS 7 -11.762 2.646 0.007 39 HG2 LYS 7 HG2 LYS 7 -12.066 3.068 -2.379 40 HG3 LYS 7 HG1 LYS 7 -13.024 1.593 -2.517 41 HD2 LYS 7 HD2 LYS 7 -14.612 3.337 -2.315 42 HD3 LYS 7 HD1 LYS 7 -14.493 2.549 -0.737 43 HE2 LYS 7 HE2 LYS 7 -14.580 4.956 -0.474 44 HE3 LYS 7 HE1 LYS 7 -13.022 4.333 0.055 45 HZ1 LYS 7 HZ1 LYS 7 -13.585 5.600 -2.567 46 HZ2 LYS 7 HZ2 LYS 7 -12.089 5.022 -2.092 47 HZ3 LYS 7 HZ3 LYS 7 -12.766 6.337 -1.300 48 H ASN 8 H ASN 8 -10.255 0.908 -3.365 49 HA ASN 8 HA ASN 8 -11.838 -1.454 -4.011 50 HB2 ASN 8 HB2 ASN 8 -10.008 0.244 -5.737 51 HB3 ASN 8 HB1 ASN 8 -10.964 -1.099 -6.335 52 HD21 ASN 8 HD21 ASN 8 -10.962 1.689 -7.069 53 HD22 ASN 8 HD22 ASN 8 -12.573 2.267 -6.876 54 H PHE 9 H PHE 9 -9.064 -1.135 -2.517 55 HA PHE 9 HA PHE 9 -7.656 -3.427 -3.764 56 HB2 PHE 9 HB2 PHE 9 -6.690 -1.144 -4.229 57 HB3 PHE 9 HB1 PHE 9 -6.487 -0.962 -2.493 58 HD1 PHE 9 HD1 PHE 9 -5.766 -3.436 -5.132 59 HD2 PHE 9 HD2 PHE 9 -4.423 -1.388 -1.678 60 HE1 PHE 9 HE1 PHE 9 -3.647 -4.530 -5.345 61 HE2 PHE 9 HE2 PHE 9 -2.248 -2.478 -1.865 62 HZ PHE 9 HZ PHE 9 -1.817 -4.039 -3.687 63 H ASP 10 H ASP 10 -6.559 -4.739 -2.108 64 HA ASP 10 HA ASP 10 -7.643 -4.128 0.536 65 HB2 ASP 10 HB2 ASP 10 -8.168 -6.416 -0.489 66 HB3 ASP 10 HB1 ASP 10 -6.474 -6.799 -0.170 67 H CYS 11 H CYS 11 -6.319 -2.924 1.510 68 HA CYS 11 HA CYS 11 -3.521 -3.079 1.172 69 HB2 CYS 11 HB2 CYS 11 -5.245 -1.534 3.079 70 HB3 CYS 11 HB1 CYS 11 -3.491 -1.371 2.986 71 H ARG 12 H ARG 12 -5.717 -4.589 3.326 72 HA ARG 12 HA ARG 12 -3.844 -5.049 5.426 73 HB2 ARG 12 HB2 ARG 12 -6.386 -6.542 4.786 74 HB3 ARG 12 HB1 ARG 12 -5.482 -6.659 6.288 75 HG2 ARG 12 HG2 ARG 12 -6.996 -4.283 5.235 76 HG3 ARG 12 HG1 ARG 12 -7.373 -5.259 6.655 77 HD2 ARG 12 HD2 ARG 12 -5.003 -3.437 6.267 78 HD3 ARG 12 HD1 ARG 12 -6.364 -3.180 7.352 79 HE ARG 12 HE ARG 12 -5.315 -5.565 8.119 80 HH11 ARG 12 HH11 ARG 12 -4.105 -2.248 7.852 81 HH12 ARG 12 HH12 ARG 12 -2.893 -2.448 9.027 82 HH21 ARG 12 HH21 ARG 12 -3.625 -5.855 9.726 83 HH22 ARG 12 HH22 ARG 12 -2.632 -4.537 10.137 84 H ARG 13 H ARG 13 -5.193 -7.119 2.905 85 HA ARG 13 HA ARG 13 -3.529 -9.319 3.406 86 HB2 ARG 13 HB2 ARG 13 -5.624 -9.442 2.147 87 HB3 ARG 13 HB1 ARG 13 -4.938 -8.450 0.879 88 HG2 ARG 13 HG2 ARG 13 -3.394 -10.213 0.288 89 HG3 ARG 13 HG1 ARG 13 -3.971 -11.188 1.646 90 HD2 ARG 13 HD2 ARG 13 -4.994 -11.871 -0.498 91 HD3 ARG 13 HD1 ARG 13 -6.178 -11.309 0.683 92 HE ARG 13 HE ARG 13 -5.151 -9.474 -1.347 93 HH11 ARG 13 HH11 ARG 13 -7.899 -11.290 -0.036 94 HH12 ARG 13 HH12 ARG 13 -9.079 -10.388 -0.861 95 HH21 ARG 13 HH21 ARG 13 -6.787 -8.264 -2.530 96 HH22 ARG 13 HH22 ARG 13 -8.428 -8.679 -2.331 97 H SER 14 H SER 14 -3.128 -6.490 1.318 98 HA SER 14 HA SER 14 -0.758 -7.323 0.049 99 HB2 SER 14 HB2 SER 14 -1.708 -4.524 0.692 100 HB3 SER 14 HB1 SER 14 -0.437 -4.922 -0.466 101 HG SER 14 HG SER 14 -3.201 -5.262 -0.646 102 H LEU 15 H LEU 15 -1.340 -5.830 3.161 103 HA LEU 15 HA LEU 15 1.361 -5.255 3.777 104 HB2 LEU 15 HB2 LEU 15 -0.584 -4.198 4.887 105 HB3 LEU 15 HB1 LEU 15 -1.003 -5.740 5.594 106 HG LEU 15 HG LEU 15 1.127 -5.698 6.866 107 HD11 LEU 15 HD11 LEU 15 1.363 -2.910 5.744 108 HD12 LEU 15 HD12 LEU 15 2.398 -4.287 5.375 109 HD13 LEU 15 HD13 LEU 15 2.383 -3.612 7.006 110 HD21 LEU 15 HD21 LEU 15 -0.663 -3.306 7.247 111 HD22 LEU 15 HD22 LEU 15 0.419 -3.991 8.462 112 HD23 LEU 15 HD23 LEU 15 -0.954 -4.931 7.869 113 H ARG 16 H ARG 16 -0.809 -7.944 4.329 114 HA ARG 16 HA ARG 16 0.942 -9.476 5.956 115 HB2 ARG 16 HB2 ARG 16 -1.366 -10.435 4.268 116 HB3 ARG 16 HB1 ARG 16 -0.623 -11.285 5.616 117 HG2 ARG 16 HG2 ARG 16 -2.150 -8.688 5.790 118 HG3 ARG 16 HG1 ARG 16 -2.754 -10.275 6.256 119 HD2 ARG 16 HD2 ARG 16 -0.378 -8.889 7.497 120 HD3 ARG 16 HD1 ARG 16 -2.001 -8.913 8.177 121 HE ARG 16 HE ARG 16 -1.380 -11.510 7.746 122 HH11 ARG 16 HH11 ARG 16 0.105 -8.871 9.612 123 HH12 ARG 16 HH12 ARG 16 0.708 -9.867 10.839 124 HH21 ARG 16 HH21 ARG 16 -0.560 -12.903 9.499 125 HH22 ARG 16 HH22 ARG 16 0.314 -12.220 10.784 126 H ASN 17 H ASN 17 0.398 -9.277 2.506 127 HA ASN 17 HA ASN 17 1.864 -11.620 1.763 128 HB2 ASN 17 HB2 ASN 17 1.309 -9.136 0.151 129 HB3 ASN 17 HB1 ASN 17 2.036 -10.598 -0.479 130 HD21 ASN 17 HD21 ASN 17 -0.241 -9.227 -1.282 131 HD22 ASN 17 HD22 ASN 17 -1.588 -10.325 -1.191 132 H GLY 18 H GLY 18 2.608 -8.278 2.150 133 HA2 GLY 18 HA2 GLY 18 4.898 -7.717 2.885 134 HA3 GLY 18 HA1 GLY 18 5.444 -8.940 1.754 135 H ASP 19 H ASP 19 2.850 -7.310 0.464 136 HA ASP 19 HA ASP 19 4.384 -6.180 -1.647 137 HB2 ASP 19 HB2 ASP 19 1.487 -5.734 -0.880 138 HB3 ASP 19 HB1 ASP 19 2.223 -5.108 -2.346 139 H CYS 20 H CYS 20 2.907 -4.966 1.227 140 HA CYS 20 HA CYS 20 3.327 -2.187 0.698 141 HB2 CYS 20 HB2 CYS 20 1.505 -2.928 2.111 142 HB3 CYS 20 HB1 CYS 20 2.615 -3.747 3.184 143 H ASP 21 H ASP 21 5.331 -4.701 1.697 144 HA ASP 21 HA ASP 21 7.287 -2.836 2.854 145 HB2 ASP 21 HB2 ASP 21 6.689 -4.616 4.391 146 HB3 ASP 21 HB1 ASP 21 6.990 -5.838 3.168 147 H ASN 22 H ASN 22 6.530 -4.276 0.028 148 HA ASN 22 HA ASN 22 9.140 -5.165 -0.803 149 HB2 ASN 22 HB2 ASN 22 7.104 -6.234 -1.713 150 HB3 ASN 22 HB1 ASN 22 6.613 -4.705 -2.419 151 HD21 ASN 22 HD21 ASN 22 7.156 -7.313 -3.626 152 HD22 ASN 22 HD22 ASN 22 8.354 -7.033 -4.840 153 H ASP 23 H ASP 23 10.654 -3.907 -1.373 154 HA ASP 23 HA ASP 23 10.530 -1.125 -1.329 155 HB2 ASP 23 HB2 ASP 23 12.687 -2.805 -2.615 156 HB3 ASP 23 HB1 ASP 23 12.835 -1.124 -2.131 157 H ASP 24 H ASP 24 10.588 -3.315 -4.115 158 HA ASP 24 HA ASP 24 10.813 -1.255 -6.054 159 HB2 ASP 24 HB2 ASP 24 11.390 -3.590 -6.590 160 HB3 ASP 24 HB1 ASP 24 9.704 -4.053 -6.395 161 H LYS 25 H LYS 25 8.116 -2.667 -4.390 162 HA LYS 25 HA LYS 25 6.233 -1.357 -6.178 163 HB2 LYS 25 HB2 LYS 25 5.752 -3.160 -3.838 164 HB3 LYS 25 HB1 LYS 25 4.536 -2.563 -4.961 165 HG2 LYS 25 HG2 LYS 25 5.586 -3.730 -6.776 166 HG3 LYS 25 HG1 LYS 25 6.877 -4.281 -5.705 167 HD2 LYS 25 HD2 LYS 25 5.375 -6.062 -5.903 168 HD3 LYS 25 HD1 LYS 25 5.173 -5.290 -4.318 169 HE2 LYS 25 HE2 LYS 25 3.144 -4.235 -4.925 170 HE3 LYS 25 HE1 LYS 25 3.388 -4.567 -6.638 171 HZ1 LYS 25 HZ1 LYS 25 3.009 -6.892 -6.212 172 HZ2 LYS 25 HZ2 LYS 25 1.706 -6.000 -5.669 173 HZ3 LYS 25 HZ3 LYS 25 2.790 -6.638 -4.558 174 H LEU 26 H LEU 26 7.888 -0.586 -3.460 175 HA LEU 26 HA LEU 26 6.084 0.531 -1.715 176 HB2 LEU 26 HB2 LEU 26 8.854 1.459 -2.322 177 HB3 LEU 26 HB1 LEU 26 7.861 2.287 -1.139 178 HG LEU 26 HG LEU 26 8.677 -0.611 -1.022 179 HD11 LEU 26 HD11 LEU 26 9.596 1.783 0.570 180 HD12 LEU 26 HD12 LEU 26 10.546 0.929 -0.643 181 HD13 LEU 26 HD13 LEU 26 10.086 0.113 0.853 182 HD21 LEU 26 HD21 LEU 26 6.530 -0.268 0.044 183 HD22 LEU 26 HD22 LEU 26 7.164 1.116 0.929 184 HD23 LEU 26 HD23 LEU 26 7.772 -0.503 1.273 185 H LEU 27 H LEU 27 7.301 2.298 -4.582 186 HA LEU 27 HA LEU 27 6.043 4.713 -4.047 187 HB2 LEU 27 HB2 LEU 27 7.656 4.538 -5.777 188 HB3 LEU 27 HB1 LEU 27 6.751 3.264 -6.573 189 HG LEU 27 HG LEU 27 4.960 4.890 -6.851 190 HD11 LEU 27 HD11 LEU 27 7.145 6.885 -6.234 191 HD12 LEU 27 HD12 LEU 27 5.645 6.647 -5.337 192 HD13 LEU 27 HD13 LEU 27 5.599 7.300 -6.975 193 HD21 LEU 27 HD21 LEU 27 6.222 4.099 -8.635 194 HD22 LEU 27 HD22 LEU 27 7.540 5.239 -8.320 195 HD23 LEU 27 HD23 LEU 27 5.966 5.827 -8.901 196 H GLU 28 H GLU 28 5.003 1.825 -5.740 197 HA GLU 28 HA GLU 28 2.466 2.701 -6.583 198 HB2 GLU 28 HB2 GLU 28 3.631 0.791 -7.563 199 HB3 GLU 28 HB1 GLU 28 3.531 -0.074 -6.039 200 HG2 GLU 28 HG2 GLU 28 1.143 -0.192 -6.232 201 HG3 GLU 28 HG1 GLU 28 1.185 0.763 -7.722 202 H MET 29 H MET 29 3.706 1.288 -3.723 203 HA MET 29 HA MET 29 1.117 0.699 -2.597 204 HB2 MET 29 HB2 MET 29 3.869 0.597 -1.376 205 HB3 MET 29 HB1 MET 29 2.409 0.125 -0.525 206 HG2 MET 29 HG2 MET 29 3.585 -1.155 -2.980 207 HG3 MET 29 HG1 MET 29 3.507 -1.844 -1.363 208 HE1 MET 29 HE1 MET 29 -0.442 -2.147 -0.968 209 HE2 MET 29 HE2 MET 29 0.490 -0.667 -0.728 210 HE3 MET 29 3HE MET 29 1.117 -2.201 -0.127 211 H GLY 30 H GLY 30 3.231 3.245 -2.735 212 HA2 GLY 30 HA2 GLY 30 2.405 4.702 -0.445 213 HA3 GLY 30 HA1 GLY 30 3.247 5.376 -1.830 214 H TYR 31 H TYR 31 1.055 4.284 -3.586 215 HA TYR 31 HA TYR 31 -0.867 6.287 -2.802 216 HB2 TYR 31 HB2 TYR 31 -1.728 6.290 -5.170 217 HB3 TYR 31 HB1 TYR 31 -0.132 6.952 -4.846 218 HD1 TYR 31 HD1 TYR 31 1.774 6.130 -5.944 219 HD2 TYR 31 HD2 TYR 31 -1.938 4.105 -6.296 220 HE1 TYR 31 HE1 TYR 31 2.678 4.845 -7.764 221 HE2 TYR 31 HE2 TYR 31 -1.053 2.787 -8.125 222 HH TYR 31 HH TYR 31 0.726 3.078 -9.840 223 H TYR 32 H TYR 32 -0.633 3.027 -3.718 224 HA TYR 32 HA TYR 32 -3.405 2.524 -3.469 225 HB2 TYR 32 HB2 TYR 32 -1.058 0.661 -3.416 226 HB3 TYR 32 HB1 TYR 32 -2.635 0.057 -2.949 227 HD1 TYR 32 HD1 TYR 32 -0.483 0.778 -5.644 228 HD2 TYR 32 HD2 TYR 32 -4.558 0.438 -4.575 229 HE1 TYR 32 HE1 TYR 32 -1.068 0.470 -8.011 230 HE2 TYR 32 HE2 TYR 32 -5.174 0.136 -6.908 231 HH TYR 32 HH TYR 32 -2.788 -0.443 -9.330 232 H CYS 33 H CYS 33 -0.814 2.266 -1.032 233 HA CYS 33 HA CYS 33 -2.948 2.394 0.941 234 HB2 CYS 33 HB2 CYS 33 -0.707 0.375 1.095 235 HB3 CYS 33 HB1 CYS 33 -2.063 0.587 2.203 236 HA PRO 34 HA PRO 34 0.846 5.171 1.691 237 HB2 PRO 34 HB2 PRO 34 -0.625 7.408 2.284 238 HB3 PRO 34 HB1 PRO 34 -0.040 7.018 0.663 239 HG2 PRO 34 HG2 PRO 34 -2.731 6.502 1.872 240 HG3 PRO 34 HG1 PRO 34 -2.346 7.155 0.274 241 HD2 PRO 34 HD2 PRO 34 -3.030 4.619 0.556 242 HD3 PRO 34 HD1 PRO 34 -1.729 5.071 -0.561 243 H VAL 35 H VAL 35 -2.159 4.570 3.293 244 HA VAL 35 HA VAL 35 -1.263 5.696 5.764 245 HB VAL 35 HB VAL 35 -3.828 4.248 5.103 246 HG11 VAL 35 HG11 VAL 35 -3.058 5.897 7.499 247 HG12 VAL 35 HG12 VAL 35 -3.288 4.149 7.478 248 HG13 VAL 35 3HG1 VAL 35 -4.661 5.225 7.187 249 HG21 VAL 35 HG21 VAL 35 -3.199 7.179 5.348 250 HG22 VAL 35 HG22 VAL 35 -4.799 6.492 5.020 251 HG23 VAL 35 HG23 VAL 35 -3.479 6.300 3.855 252 H THR 36 H THR 36 -2.166 2.552 4.478 253 HA THR 36 HA THR 36 -1.662 0.975 6.731 254 HB THR 36 HB THR 36 -1.231 0.145 3.869 255 HG1 THR 36 HG1 THR 36 -3.294 1.142 4.140 256 HG21 THR 36 HG21 THR 36 -0.518 -1.513 5.526 257 HG22 THR 36 HG22 THR 36 -1.965 -2.069 4.687 258 HG23 THR 36 HG23 THR 36 -2.088 -1.415 6.319 259 H CYS 37 H CYS 37 0.535 1.904 4.084 260 HA CYS 37 HA CYS 37 2.728 0.498 5.248 261 HB2 CYS 37 HB2 CYS 37 2.607 2.464 2.983 262 HB3 CYS 37 HB1 CYS 37 4.048 1.535 3.409 263 H GLY 38 H GLY 38 1.315 3.417 6.008 264 HA2 GLY 38 HA2 GLY 38 1.874 4.827 7.720 265 HA3 GLY 38 HA1 GLY 38 3.360 3.923 7.922 266 H PHE 39 H PHE 39 2.294 5.634 5.012 267 HA PHE 39 HA PHE 39 4.740 7.177 4.964 268 HB2 PHE 39 HB2 PHE 39 2.240 7.282 3.251 269 HB3 PHE 39 HB1 PHE 39 3.625 8.328 2.996 270 HD1 PHE 39 HD1 PHE 39 2.388 4.890 2.824 271 HD2 PHE 39 HD2 PHE 39 5.592 7.527 1.953 272 HE1 PHE 39 HE1 PHE 39 3.417 3.172 1.339 273 HE2 PHE 39 HE2 PHE 39 6.618 5.837 0.499 274 HZ PHE 39 HZ PHE 39 5.527 3.656 0.193 275 HA CYS 40 HA CYS 40 1.972 10.003 7.254 276 HB2 CYS 40 HB2 CYS 40 -0.255 10.823 6.144 277 HB3 CYS 40 HB1 CYS 40 1.270 11.000 5.274 278 HN1 NH2 41 H1 CYS 40 1.634 8.817 9.109 279 HN2 NH2 41 H2 CYS 40 0.115 8.116 9.543 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 -2.451 15.829 0.278 2 H2 GLU 1 HT2 GLU 1 -3.362 17.117 0.824 3 H3 GLU 1 HT3 GLU 1 -2.993 17.002 -0.799 4 HA GLU 1 HA GLU 1 -5.260 16.378 -0.340 5 HB2 GLU 1 HB2 GLU 1 -5.247 14.123 -1.382 6 HB3 GLU 1 HB1 GLU 1 -4.254 15.284 -2.258 7 HG2 GLU 1 HG2 GLU 1 -2.257 14.275 -1.259 8 HG3 GLU 1 HG1 GLU 1 -3.276 13.134 -0.378 9 H HIS 2 H HIS 2 -6.425 14.152 0.304 10 HA HIS 2 HA HIS 2 -5.790 13.829 3.104 11 HB2 HIS 2 HB2 HIS 2 -8.150 14.168 2.532 12 HB3 HIS 2 HB1 HIS 2 -8.108 12.786 1.447 13 HD1 HIS 2 HD1 HIS 2 -9.357 10.888 2.512 14 HD2 HIS 2 HD2 HIS 2 -7.188 13.088 5.284 15 HE1 HIS 2 HE1 HIS 2 -9.682 9.741 4.721 16 H CYS 3 H CYS 3 -4.339 12.375 3.580 17 HA CYS 3 HA CYS 3 -3.638 10.252 1.837 18 HB2 CYS 3 HB2 CYS 3 -2.118 9.544 3.662 19 HB3 CYS 3 HB1 CYS 3 -1.928 11.239 3.233 20 H ALA 4 H ALA 4 -5.050 8.678 1.492 21 HA ALA 4 HA ALA 4 -6.008 7.184 3.800 22 HB1 ALA 4 HB1 ALA 4 -7.746 8.071 1.509 23 HB2 ALA 4 HB2 ALA 4 -7.838 8.683 3.164 24 HB3 ALA 4 HB3 ALA 4 -8.225 6.995 2.815 25 H ASP 5 H ASP 5 -6.107 5.054 3.450 26 HA ASP 5 HA ASP 5 -4.741 3.872 1.262 27 HB2 ASP 5 HB2 ASP 5 -6.757 2.536 3.076 28 HB3 ASP 5 HB1 ASP 5 -5.536 1.736 2.105 29 H GLU 6 H GLU 6 -5.481 2.905 -0.551 30 HA GLU 6 HA GLU 6 -7.838 4.017 -1.655 31 HB2 GLU 6 HB2 GLU 6 -5.496 2.982 -2.697 32 HB3 GLU 6 HB1 GLU 6 -6.681 1.767 -3.139 33 HG2 GLU 6 HG2 GLU 6 -6.738 4.697 -3.843 34 HG3 GLU 6 HG1 GLU 6 -6.470 3.335 -4.925 35 H LYS 7 H LYS 7 -9.606 2.966 -2.446 36 HA LYS 7 HA LYS 7 -10.619 0.905 -0.690 37 HB2 LYS 7 HB2 LYS 7 -12.779 1.465 -1.623 38 HB3 LYS 7 HB1 LYS 7 -11.920 2.912 -1.120 39 HG2 LYS 7 HG2 LYS 7 -11.203 3.146 -3.548 40 HG3 LYS 7 HG1 LYS 7 -12.405 1.910 -3.907 41 HD2 LYS 7 HD2 LYS 7 -13.532 3.935 -4.245 42 HD3 LYS 7 HD1 LYS 7 -14.014 3.356 -2.638 43 HE2 LYS 7 HE2 LYS 7 -13.542 5.760 -2.593 44 HE3 LYS 7 HE1 LYS 7 -12.410 4.868 -1.581 45 HZ1 LYS 7 HZ1 LYS 7 -11.301 6.543 -2.880 46 HZ2 LYS 7 HZ2 LYS 7 -11.888 5.896 -4.316 47 HZ3 LYS 7 HZ3 LYS 7 -10.757 5.036 -3.414 48 H ASN 8 H ASN 8 -9.519 1.186 -3.894 49 HA ASN 8 HA ASN 8 -10.721 -1.374 -4.705 50 HB2 ASN 8 HB2 ASN 8 -9.095 0.590 -6.340 51 HB3 ASN 8 HB1 ASN 8 -9.797 -0.894 -6.964 52 HD21 ASN 8 HD21 ASN 8 -10.375 2.312 -5.898 53 HD22 ASN 8 HD22 ASN 8 -12.016 2.437 -6.450 54 H PHE 9 H PHE 9 -8.167 -0.536 -3.028 55 HA PHE 9 HA PHE 9 -6.434 -2.650 -4.144 56 HB2 PHE 9 HB2 PHE 9 -5.669 -0.208 -4.303 57 HB3 PHE 9 HB1 PHE 9 -5.543 -0.276 -2.545 58 HD1 PHE 9 HD1 PHE 9 -4.440 -1.876 -5.644 59 HD2 PHE 9 HD2 PHE 9 -3.689 -1.219 -1.531 60 HE1 PHE 9 HE1 PHE 9 -2.285 -2.907 -5.902 61 HE2 PHE 9 HE2 PHE 9 -1.489 -2.250 -1.761 62 HZ PHE 9 HZ PHE 9 -0.753 -3.085 -3.931 63 H ASP 10 H ASP 10 -5.843 -4.174 -2.607 64 HA ASP 10 HA ASP 10 -7.204 -3.836 -0.050 65 HB2 ASP 10 HB2 ASP 10 -7.436 -5.977 -1.438 66 HB3 ASP 10 HB1 ASP 10 -5.791 -6.346 -0.922 67 H CYS 11 H CYS 11 -6.067 -2.771 1.311 68 HA CYS 11 HA CYS 11 -3.232 -2.690 1.265 69 HB2 CYS 11 HB2 CYS 11 -5.246 -1.485 3.135 70 HB3 CYS 11 HB1 CYS 11 -3.513 -1.156 3.184 71 H ARG 12 H ARG 12 -5.556 -4.497 3.080 72 HA ARG 12 HA ARG 12 -3.751 -5.071 5.249 73 HB2 ARG 12 HB2 ARG 12 -6.254 -6.565 4.447 74 HB3 ARG 12 HB1 ARG 12 -5.419 -6.694 5.984 75 HG2 ARG 12 HG2 ARG 12 -6.849 -4.263 4.929 76 HG3 ARG 12 HG1 ARG 12 -7.427 -5.364 6.176 77 HD2 ARG 12 HD2 ARG 12 -5.544 -4.698 7.618 78 HD3 ARG 12 HD1 ARG 12 -4.964 -3.609 6.357 79 HE ARG 12 HE ARG 12 -7.678 -3.224 7.295 80 HH11 ARG 12 HH11 ARG 12 -4.318 -2.193 7.676 81 HH12 ARG 12 HH12 ARG 12 -4.687 -0.604 8.165 82 HH21 ARG 12 HH21 ARG 12 -8.202 -1.033 8.002 83 HH22 ARG 12 HH22 ARG 12 -6.952 0.074 8.334 84 H ARG 13 H ARG 13 -4.925 -6.745 2.395 85 HA ARG 13 HA ARG 13 -3.498 -9.136 2.627 86 HB2 ARG 13 HB2 ARG 13 -5.337 -8.632 1.036 87 HB3 ARG 13 HB1 ARG 13 -4.219 -7.636 0.126 88 HG2 ARG 13 HG2 ARG 13 -2.834 -9.614 -0.301 89 HG3 ARG 13 HG1 ARG 13 -4.009 -10.597 0.572 90 HD2 ARG 13 HD2 ARG 13 -4.509 -8.983 -1.910 91 HD3 ARG 13 HD1 ARG 13 -4.439 -10.743 -1.787 92 HE ARG 13 HE ARG 13 -6.344 -10.122 -0.035 93 HH11 ARG 13 HH11 ARG 13 -5.871 -9.183 -3.416 94 HH12 ARG 13 HH12 ARG 13 -7.519 -9.057 -3.772 95 HH21 ARG 13 HH21 ARG 13 -8.682 -9.889 -0.518 96 HH22 ARG 13 HH22 ARG 13 -9.139 -9.467 -2.097 97 H SER 14 H SER 14 -2.699 -6.114 0.989 98 HA SER 14 HA SER 14 -0.203 -6.877 -0.007 99 HB2 SER 14 HB2 SER 14 -1.173 -4.119 0.754 100 HB3 SER 14 HB1 SER 14 0.196 -4.470 -0.304 101 HG SER 14 HG SER 14 -2.555 -4.785 -0.763 102 H LEU 15 H LEU 15 -1.105 -5.614 3.143 103 HA LEU 15 HA LEU 15 1.575 -5.173 3.952 104 HB2 LEU 15 HB2 LEU 15 -0.316 -4.022 4.979 105 HB3 LEU 15 HB1 LEU 15 -0.904 -5.543 5.607 106 HG LEU 15 HG LEU 15 1.066 -5.758 7.033 107 HD11 LEU 15 HD11 LEU 15 2.653 -3.912 7.242 108 HD12 LEU 15 HD12 LEU 15 1.840 -3.070 5.916 109 HD13 LEU 15 HD13 LEU 15 2.659 -4.604 5.617 110 HD21 LEU 15 HD21 LEU 15 -0.255 -3.072 7.280 111 HD22 LEU 15 HD22 LEU 15 0.536 -3.982 8.576 112 HD23 LEU 15 HD23 LEU 15 -0.930 -4.607 7.817 113 H ARG 16 H ARG 16 -0.730 -7.775 4.424 114 HA ARG 16 HA ARG 16 0.966 -9.312 6.100 115 HB2 ARG 16 HB2 ARG 16 -1.462 -10.120 4.532 116 HB3 ARG 16 HB1 ARG 16 -0.665 -11.135 5.727 117 HG2 ARG 16 HG2 ARG 16 -1.133 -9.477 7.455 118 HG3 ARG 16 HG1 ARG 16 -1.909 -8.444 6.256 119 HD2 ARG 16 HD2 ARG 16 -2.776 -11.192 7.099 120 HD3 ARG 16 HD1 ARG 16 -3.571 -9.673 7.518 121 HE ARG 16 HE ARG 16 -3.329 -10.691 4.775 122 HH11 ARG 16 HH11 ARG 16 -5.300 -9.150 7.300 123 HH12 ARG 16 HH12 ARG 16 -6.679 -9.041 6.321 124 HH21 ARG 16 HH21 ARG 16 -5.233 -10.548 3.465 125 HH22 ARG 16 HH22 ARG 16 -6.630 -9.819 4.090 126 H ASN 17 H ASN 17 0.445 -9.302 2.646 127 HA ASN 17 HA ASN 17 2.061 -11.658 2.234 128 HB2 ASN 17 HB2 ASN 17 0.928 -9.637 0.334 129 HB3 ASN 17 HB1 ASN 17 2.094 -10.835 -0.206 130 HD21 ASN 17 HD21 ASN 17 -1.086 -10.280 0.956 131 HD22 ASN 17 HD22 ASN 17 -1.721 -11.836 0.553 132 H GLY 18 H GLY 18 2.659 -8.306 2.470 133 HA2 GLY 18 HA2 GLY 18 4.877 -7.617 3.087 134 HA3 GLY 18 HA1 GLY 18 5.506 -8.935 2.113 135 H ASP 19 H ASP 19 3.000 -7.482 0.533 136 HA ASP 19 HA ASP 19 4.611 -6.390 -1.546 137 HB2 ASP 19 HB2 ASP 19 1.675 -5.978 -0.907 138 HB3 ASP 19 HB1 ASP 19 2.453 -5.318 -2.337 139 H CYS 20 H CYS 20 3.006 -5.151 1.214 140 HA CYS 20 HA CYS 20 3.189 -2.399 0.870 141 HB2 CYS 20 HB2 CYS 20 1.883 -3.383 2.629 142 HB3 CYS 20 HB1 CYS 20 3.320 -4.089 3.353 143 H ASP 21 H ASP 21 5.619 -4.709 1.778 144 HA ASP 21 HA ASP 21 7.540 -2.585 2.448 145 HB2 ASP 21 HB2 ASP 21 7.203 -4.182 4.223 146 HB3 ASP 21 HB1 ASP 21 7.440 -5.528 3.122 147 H ASN 22 H ASN 22 6.674 -4.578 -0.078 148 HA ASN 22 HA ASN 22 9.311 -5.418 -0.879 149 HB2 ASN 22 HB2 ASN 22 7.339 -6.834 -1.364 150 HB3 ASN 22 HB1 ASN 22 6.714 -5.577 -2.426 151 HD21 ASN 22 HD21 ASN 22 6.742 -7.084 -4.117 152 HD22 ASN 22 HD22 ASN 22 8.195 -7.521 -4.936 153 H ASP 23 H ASP 23 10.631 -4.551 -2.277 154 HA ASP 23 HA ASP 23 10.673 -1.816 -2.628 155 HB2 ASP 23 HB2 ASP 23 12.685 -3.158 -2.714 156 HB3 ASP 23 HB1 ASP 23 12.178 -3.877 -4.238 157 H ASP 24 H ASP 24 9.817 -4.232 -5.075 158 HA ASP 24 HA ASP 24 9.355 -2.440 -7.195 159 HB2 ASP 24 HB2 ASP 24 9.573 -4.816 -7.604 160 HB3 ASP 24 HB1 ASP 24 8.114 -5.150 -6.679 161 H LYS 25 H LYS 25 7.447 -3.038 -4.411 162 HA LYS 25 HA LYS 25 5.047 -2.058 -5.776 163 HB2 LYS 25 HB2 LYS 25 5.219 -3.236 -3.006 164 HB3 LYS 25 HB1 LYS 25 3.778 -2.972 -3.974 165 HG2 LYS 25 HG2 LYS 25 5.951 -4.973 -4.465 166 HG3 LYS 25 HG1 LYS 25 4.304 -5.291 -3.921 167 HD2 LYS 25 HD2 LYS 25 3.441 -4.460 -6.032 168 HD3 LYS 25 HD1 LYS 25 5.085 -4.092 -6.566 169 HE2 LYS 25 HE2 LYS 25 5.631 -6.485 -6.215 170 HE3 LYS 25 HE1 LYS 25 3.908 -6.765 -5.947 171 HZ1 LYS 25 HZ1 LYS 25 3.465 -5.897 -8.151 172 HZ2 LYS 25 HZ2 LYS 25 4.506 -7.215 -8.244 173 HZ3 LYS 25 HZ3 LYS 25 5.127 -5.638 -8.392 174 H LEU 26 H LEU 26 7.522 -1.028 -3.711 175 HA LEU 26 HA LEU 26 6.296 0.419 -1.751 176 HB2 LEU 26 HB2 LEU 26 8.914 0.972 -3.089 177 HB3 LEU 26 HB1 LEU 26 8.351 1.862 -1.690 178 HG LEU 26 HG LEU 26 8.877 -1.109 -1.788 179 HD11 LEU 26 HD11 LEU 26 10.917 0.218 -1.861 180 HD12 LEU 26 HD12 LEU 26 10.743 -0.593 -0.304 181 HD13 LEU 26 HD13 LEU 26 10.381 1.128 -0.448 182 HD21 LEU 26 HD21 LEU 26 8.038 0.683 0.486 183 HD22 LEU 26 HD22 LEU 26 8.565 -0.990 0.654 184 HD23 LEU 26 HD23 LEU 26 7.088 -0.622 -0.232 185 H LEU 27 H LEU 27 7.113 1.859 -4.966 186 HA LEU 27 HA LEU 27 6.340 4.432 -4.337 187 HB2 LEU 27 HB2 LEU 27 7.581 3.319 -6.337 188 HB3 LEU 27 HB1 LEU 27 5.967 3.094 -6.964 189 HG LEU 27 HG LEU 27 7.286 4.912 -7.846 190 HD11 LEU 27 HD11 LEU 27 5.399 6.576 -7.894 191 HD12 LEU 27 HD12 LEU 27 4.651 5.687 -6.567 192 HD13 LEU 27 HD13 LEU 27 4.851 4.915 -8.141 193 HD21 LEU 27 HD21 LEU 27 7.411 7.052 -6.618 194 HD22 LEU 27 HD22 LEU 27 8.334 5.747 -5.864 195 HD23 LEU 27 HD23 LEU 27 6.774 6.228 -5.198 196 H GLU 28 H GLU 28 4.612 1.676 -5.627 197 HA GLU 28 HA GLU 28 2.124 2.927 -6.036 198 HB2 GLU 28 HB2 GLU 28 3.018 0.081 -5.830 199 HB3 GLU 28 HB1 GLU 28 1.306 0.430 -5.846 200 HG2 GLU 28 HG2 GLU 28 2.163 -0.160 -8.052 201 HG3 GLU 28 HG1 GLU 28 1.509 1.473 -8.014 202 H MET 29 H MET 29 3.629 1.409 -3.314 203 HA MET 29 HA MET 29 1.244 1.139 -1.793 204 HB2 MET 29 HB2 MET 29 4.119 1.152 -0.871 205 HB3 MET 29 HB1 MET 29 2.749 0.707 0.136 206 HG2 MET 29 HG2 MET 29 3.858 -0.716 -2.257 207 HG3 MET 29 HG1 MET 29 3.791 -1.296 -0.602 208 HE1 MET 29 HE1 MET 29 0.744 -0.122 -0.084 209 HE2 MET 29 HE2 MET 29 1.299 -1.638 0.627 210 HE3 MET 29 3HE MET 29 -0.218 -1.587 -0.281 211 H GLY 30 H GLY 30 3.452 3.630 -2.392 212 HA2 GLY 30 HA2 GLY 30 2.937 5.232 -0.098 213 HA3 GLY 30 HA1 GLY 30 3.651 5.820 -1.584 214 H TYR 31 H TYR 31 1.254 4.796 -3.091 215 HA TYR 31 HA TYR 31 -0.517 6.903 -2.198 216 HB2 TYR 31 HB2 TYR 31 -1.432 7.049 -4.516 217 HB3 TYR 31 HB1 TYR 31 0.223 7.584 -4.241 218 HD1 TYR 31 HD1 TYR 31 1.971 6.737 -5.493 219 HD2 TYR 31 HD2 TYR 31 -1.800 4.828 -5.651 220 HE1 TYR 31 HE1 TYR 31 2.736 5.455 -7.379 221 HE2 TYR 31 HE2 TYR 31 -1.056 3.512 -7.554 222 HH TYR 31 HH TYR 31 2.238 3.382 -8.554 223 H TYR 32 H TYR 32 -0.467 3.659 -3.217 224 HA TYR 32 HA TYR 32 -3.277 3.312 -3.036 225 HB2 TYR 32 HB2 TYR 32 -1.064 1.268 -3.038 226 HB3 TYR 32 HB1 TYR 32 -2.718 0.797 -2.753 227 HD1 TYR 32 HD1 TYR 32 -0.419 0.678 -5.103 228 HD2 TYR 32 HD2 TYR 32 -4.304 2.271 -4.597 229 HE1 TYR 32 HE1 TYR 32 -0.787 0.523 -7.535 230 HE2 TYR 32 HE2 TYR 32 -4.704 2.136 -6.995 231 HH TYR 32 HH TYR 32 -3.420 2.035 -9.061 232 H CYS 33 H CYS 33 -0.712 2.700 -0.633 233 HA CYS 33 HA CYS 33 -2.881 2.758 1.310 234 HB2 CYS 33 HB2 CYS 33 -0.695 0.680 1.395 235 HB3 CYS 33 HB1 CYS 33 -2.064 0.850 2.488 236 HA PRO 34 HA PRO 34 0.781 5.382 2.402 237 HB2 PRO 34 HB2 PRO 34 -0.600 7.618 3.029 238 HB3 PRO 34 HB1 PRO 34 -0.068 7.237 1.385 239 HG2 PRO 34 HG2 PRO 34 -2.752 6.829 2.644 240 HG3 PRO 34 HG1 PRO 34 -2.372 7.477 1.045 241 HD2 PRO 34 HD2 PRO 34 -3.146 4.943 1.418 242 HD3 PRO 34 HD1 PRO 34 -1.985 5.385 0.149 243 H VAL 35 H VAL 35 -2.240 4.641 3.850 244 HA VAL 35 HA VAL 35 -1.426 5.581 6.433 245 HB VAL 35 HB VAL 35 -3.967 4.177 5.619 246 HG11 VAL 35 HG11 VAL 35 -4.842 5.051 7.731 247 HG12 VAL 35 HG12 VAL 35 -3.245 5.724 8.092 248 HG13 VAL 35 3HG1 VAL 35 -3.461 3.979 7.998 249 HG21 VAL 35 HG21 VAL 35 -3.336 7.084 6.014 250 HG22 VAL 35 HG22 VAL 35 -4.930 6.421 5.606 251 HG23 VAL 35 HG23 VAL 35 -3.565 6.269 4.479 252 H THR 36 H THR 36 -2.389 2.503 4.973 253 HA THR 36 HA THR 36 -1.869 0.896 7.205 254 HB THR 36 HB THR 36 -1.808 0.100 4.288 255 HG1 THR 36 HG1 THR 36 -3.787 1.142 5.056 256 HG21 THR 36 HG21 THR 36 -2.308 -1.553 6.772 257 HG22 THR 36 HG22 THR 36 -0.869 -1.631 5.754 258 HG23 THR 36 HG23 THR 36 -2.432 -2.134 5.111 259 H CYS 37 H CYS 37 0.297 1.913 4.614 260 HA CYS 37 HA CYS 37 2.410 0.280 5.714 261 HB2 CYS 37 HB2 CYS 37 2.247 2.031 3.309 262 HB3 CYS 37 HB1 CYS 37 3.742 1.209 3.778 263 H GLY 38 H GLY 38 1.233 3.129 6.676 264 HA2 GLY 38 HA2 GLY 38 2.055 4.599 8.229 265 HA3 GLY 38 HA1 GLY 38 3.528 3.654 8.253 266 H PHE 39 H PHE 39 2.070 5.508 5.598 267 HA PHE 39 HA PHE 39 4.551 7.071 5.387 268 HB2 PHE 39 HB2 PHE 39 2.099 6.967 3.600 269 HB3 PHE 39 HB1 PHE 39 3.487 8.002 3.315 270 HD1 PHE 39 HD1 PHE 39 2.219 4.586 3.253 271 HD2 PHE 39 HD2 PHE 39 5.528 7.116 2.464 272 HE1 PHE 39 HE1 PHE 39 3.300 2.789 1.890 273 HE2 PHE 39 HE2 PHE 39 6.603 5.349 1.144 274 HZ PHE 39 HZ PHE 39 5.480 3.181 0.858 275 HA CYS 40 HA CYS 40 1.467 9.911 7.155 276 HB2 CYS 40 HB2 CYS 40 0.777 10.326 4.802 277 HB3 CYS 40 HB1 CYS 40 -0.605 9.265 5.070 278 HN1 NH2 41 H1 CYS 40 1.011 9.105 9.122 279 HN2 NH2 41 H2 CYS 40 -0.410 8.216 9.533 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 -7.067 18.322 1.475 2 H2 GLU 1 HT2 GLU 1 -5.943 18.031 2.709 3 H3 GLU 1 HT3 GLU 1 -7.492 17.382 2.812 4 HA GLU 1 HA GLU 1 -7.067 15.996 0.907 5 HB2 GLU 1 HB2 GLU 1 -5.381 17.651 -0.074 6 HB3 GLU 1 HB1 GLU 1 -4.255 17.038 1.137 7 HG2 GLU 1 HG2 GLU 1 -3.841 16.003 -0.994 8 HG3 GLU 1 HG1 GLU 1 -4.405 14.820 0.192 9 H HIS 2 H HIS 2 -7.360 14.267 2.294 10 HA HIS 2 HA HIS 2 -5.208 13.839 4.219 11 HB2 HIS 2 HB2 HIS 2 -6.695 12.427 5.531 12 HB3 HIS 2 HB1 HIS 2 -7.528 13.929 5.197 13 HD1 HIS 2 HD1 HIS 2 -8.005 10.315 5.119 14 HD2 HIS 2 HD2 HIS 2 -9.540 13.567 3.033 15 HE1 HIS 2 HE1 HIS 2 -10.122 9.522 4.052 16 H CYS 3 H CYS 3 -3.746 12.416 3.716 17 HA CYS 3 HA CYS 3 -3.940 10.735 1.483 18 HB2 CYS 3 HB2 CYS 3 -1.889 9.629 2.331 19 HB3 CYS 3 HB1 CYS 3 -1.747 11.376 2.390 20 H ALA 4 H ALA 4 -4.952 8.860 1.198 21 HA ALA 4 HA ALA 4 -5.700 7.317 3.546 22 HB1 ALA 4 HB1 ALA 4 -8.012 7.136 2.778 23 HB2 ALA 4 HB2 ALA 4 -7.659 8.233 1.444 24 HB3 ALA 4 HB3 ALA 4 -7.581 8.814 3.106 25 H ASP 5 H ASP 5 -5.792 5.202 3.206 26 HA ASP 5 HA ASP 5 -4.565 4.031 0.973 27 HB2 ASP 5 HB2 ASP 5 -6.455 2.719 2.934 28 HB3 ASP 5 HB1 ASP 5 -5.416 1.865 1.807 29 H GLU 6 H GLU 6 -5.352 2.895 -0.770 30 HA GLU 6 HA GLU 6 -7.715 3.850 -1.944 31 HB2 GLU 6 HB2 GLU 6 -5.733 3.243 -3.249 32 HB3 GLU 6 HB1 GLU 6 -5.846 1.586 -2.696 33 HG2 GLU 6 HG2 GLU 6 -6.600 1.908 -4.988 34 HG3 GLU 6 HG1 GLU 6 -7.864 1.268 -3.932 35 H LYS 7 H LYS 7 -9.714 2.976 -2.041 36 HA LYS 7 HA LYS 7 -10.323 0.856 -0.180 37 HB2 LYS 7 HB2 LYS 7 -12.670 1.350 -0.646 38 HB3 LYS 7 HB1 LYS 7 -11.766 2.780 -0.181 39 HG2 LYS 7 HG2 LYS 7 -11.652 3.468 -2.525 40 HG3 LYS 7 HG1 LYS 7 -12.538 2.018 -2.986 41 HD2 LYS 7 HD2 LYS 7 -14.093 3.842 -2.884 42 HD3 LYS 7 HD1 LYS 7 -14.352 2.714 -1.540 43 HE2 LYS 7 HE2 LYS 7 -14.530 5.087 -0.837 44 HE3 LYS 7 HE1 LYS 7 -13.271 4.208 0.016 45 HZ1 LYS 7 HZ1 LYS 7 -11.611 5.260 -1.356 46 HZ2 LYS 7 HZ2 LYS 7 -12.580 6.450 -0.703 47 HZ3 LYS 7 HZ3 LYS 7 -12.777 6.004 -2.313 48 H ASN 8 H ASN 8 -9.916 1.256 -3.472 49 HA ASN 8 HA ASN 8 -11.210 -1.234 -4.260 50 HB2 ASN 8 HB2 ASN 8 -9.707 0.900 -5.774 51 HB3 ASN 8 HB1 ASN 8 -10.145 -0.625 -6.533 52 HD21 ASN 8 HD21 ASN 8 -12.239 -1.019 -7.002 53 HD22 ASN 8 HD22 ASN 8 -13.501 0.154 -6.929 54 H PHE 9 H PHE 9 -8.829 -0.968 -2.460 55 HA PHE 9 HA PHE 9 -7.026 -2.984 -3.655 56 HB2 PHE 9 HB2 PHE 9 -6.358 -0.428 -3.759 57 HB3 PHE 9 HB1 PHE 9 -6.096 -0.651 -2.038 58 HD1 PHE 9 HD1 PHE 9 -4.250 0.012 -4.449 59 HD2 PHE 9 HD2 PHE 9 -5.010 -3.475 -2.193 60 HE1 PHE 9 HE1 PHE 9 -2.012 -0.790 -4.966 61 HE2 PHE 9 HE2 PHE 9 -2.818 -4.301 -2.683 62 HZ PHE 9 HZ PHE 9 -1.241 -2.898 -4.103 63 H ASP 10 H ASP 10 -6.659 -4.518 -2.059 64 HA ASP 10 HA ASP 10 -7.517 -3.783 0.655 65 HB2 ASP 10 HB2 ASP 10 -8.519 -5.890 -0.353 66 HB3 ASP 10 HB1 ASP 10 -6.902 -6.583 -0.329 67 H CYS 11 H CYS 11 -5.704 -2.637 1.224 68 HA CYS 11 HA CYS 11 -3.182 -3.877 0.825 69 HB2 CYS 11 HB2 CYS 11 -3.879 -1.252 2.122 70 HB3 CYS 11 HB1 CYS 11 -2.229 -1.846 1.963 71 H ARG 12 H ARG 12 -5.467 -4.307 3.111 72 HA ARG 12 HA ARG 12 -3.863 -4.793 5.399 73 HB2 ARG 12 HB2 ARG 12 -6.439 -6.072 4.474 74 HB3 ARG 12 HB1 ARG 12 -5.717 -6.372 6.042 75 HG2 ARG 12 HG2 ARG 12 -6.712 -3.693 5.073 76 HG3 ARG 12 HG1 ARG 12 -7.636 -4.811 6.066 77 HD2 ARG 12 HD2 ARG 12 -6.776 -3.327 7.635 78 HD3 ARG 12 HD1 ARG 12 -5.641 -4.669 7.690 79 HE ARG 12 HE ARG 12 -4.879 -2.601 5.884 80 HH11 ARG 12 HH11 ARG 12 -4.640 -3.753 9.225 81 HH12 ARG 12 HH12 ARG 12 -3.488 -2.611 9.714 82 HH21 ARG 12 HH21 ARG 12 -3.271 -0.974 6.580 83 HH22 ARG 12 HH22 ARG 12 -2.665 -1.015 8.169 84 H ARG 13 H ARG 13 -5.129 -6.873 2.801 85 HA ARG 13 HA ARG 13 -3.674 -9.187 3.437 86 HB2 ARG 13 HB2 ARG 13 -5.585 -9.264 1.926 87 HB3 ARG 13 HB1 ARG 13 -4.752 -8.236 0.774 88 HG2 ARG 13 HG2 ARG 13 -3.116 -9.986 0.353 89 HG3 ARG 13 HG1 ARG 13 -3.884 -11.017 1.559 90 HD2 ARG 13 HD2 ARG 13 -4.543 -11.627 -0.721 91 HD3 ARG 13 HD1 ARG 13 -5.919 -11.085 0.237 92 HE ARG 13 HE ARG 13 -4.747 -8.961 -1.255 93 HH11 ARG 13 HH11 ARG 13 -6.879 -11.759 -1.647 94 HH12 ARG 13 HH12 ARG 13 -7.802 -11.037 -2.888 95 HH21 ARG 13 HH21 ARG 13 -6.013 -8.009 -2.951 96 HH22 ARG 13 HH22 ARG 13 -7.314 -8.887 -3.643 97 H SER 14 H SER 14 -2.925 -6.509 1.211 98 HA SER 14 HA SER 14 -0.526 -7.464 0.220 99 HB2 SER 14 HB2 SER 14 -1.226 -4.590 0.814 100 HB3 SER 14 HB1 SER 14 -0.095 -5.178 -0.405 101 HG SER 14 HG SER 14 -1.675 -5.554 -1.691 102 H LEU 15 H LEU 15 -1.230 -5.898 3.300 103 HA LEU 15 HA LEU 15 1.534 -5.550 3.981 104 HB2 LEU 15 HB2 LEU 15 -0.294 -4.073 4.791 105 HB3 LEU 15 HB1 LEU 15 -0.913 -5.413 5.727 106 HG LEU 15 HG LEU 15 1.179 -5.453 7.029 107 HD11 LEU 15 HD11 LEU 15 2.745 -3.573 6.840 108 HD12 LEU 15 HD12 LEU 15 1.835 -2.958 5.458 109 HD13 LEU 15 HD13 LEU 15 2.670 -4.504 5.342 110 HD21 LEU 15 HD21 LEU 15 0.724 -3.466 8.304 111 HD22 LEU 15 HD22 LEU 15 -0.800 -4.191 7.776 112 HD23 LEU 15 HD23 LEU 15 -0.161 -2.762 6.956 113 H ARG 16 H ARG 16 -1.048 -7.796 4.792 114 HA ARG 16 HA ARG 16 0.347 -9.388 6.646 115 HB2 ARG 16 HB2 ARG 16 -1.801 -10.200 4.679 116 HB3 ARG 16 HB1 ARG 16 -1.245 -11.198 6.005 117 HG2 ARG 16 HG2 ARG 16 -2.669 -8.551 6.222 118 HG3 ARG 16 HG1 ARG 16 -3.353 -10.144 6.543 119 HD2 ARG 16 HD2 ARG 16 -1.687 -10.435 8.357 120 HD3 ARG 16 HD1 ARG 16 -1.136 -8.786 8.049 121 HE ARG 16 HE ARG 16 -3.933 -8.970 8.525 122 HH11 ARG 16 HH11 ARG 16 -0.786 -8.601 10.048 123 HH12 ARG 16 HH12 ARG 16 -1.380 -8.031 11.540 124 HH21 ARG 16 HH21 ARG 16 -4.801 -8.158 10.605 125 HH22 ARG 16 HH22 ARG 16 -3.710 -7.785 11.857 126 H ASN 17 H ASN 17 0.200 -9.453 3.166 127 HA ASN 17 HA ASN 17 1.784 -11.841 2.930 128 HB2 ASN 17 HB2 ASN 17 0.826 -9.838 0.897 129 HB3 ASN 17 HB1 ASN 17 1.923 -11.139 0.472 130 HD21 ASN 17 HD21 ASN 17 -0.680 -11.517 2.823 131 HD22 ASN 17 HD22 ASN 17 -1.630 -12.572 1.845 132 H GLY 18 H GLY 18 2.414 -8.395 2.340 133 HA2 GLY 18 HA2 GLY 18 4.668 -7.734 3.257 134 HA3 GLY 18 HA1 GLY 18 5.288 -9.083 2.312 135 H ASP 19 H ASP 19 2.877 -7.856 0.544 136 HA ASP 19 HA ASP 19 4.522 -6.738 -1.474 137 HB2 ASP 19 HB2 ASP 19 1.546 -6.536 -1.009 138 HB3 ASP 19 HB1 ASP 19 2.345 -5.868 -2.419 139 H CYS 20 H CYS 20 2.638 -5.394 1.074 140 HA CYS 20 HA CYS 20 2.845 -2.650 0.331 141 HB2 CYS 20 HB2 CYS 20 1.003 -3.474 1.675 142 HB3 CYS 20 HB1 CYS 20 2.118 -4.032 2.903 143 H ASP 21 H ASP 21 5.148 -4.766 1.595 144 HA ASP 21 HA ASP 21 6.666 -2.523 2.759 145 HB2 ASP 21 HB2 ASP 21 6.076 -4.238 4.430 146 HB3 ASP 21 HB1 ASP 21 6.853 -5.468 3.446 147 H ASN 22 H ASN 22 6.422 -4.487 0.165 148 HA ASN 22 HA ASN 22 9.172 -5.147 -0.251 149 HB2 ASN 22 HB2 ASN 22 7.468 -6.616 -1.151 150 HB3 ASN 22 HB1 ASN 22 6.769 -5.299 -2.079 151 HD21 ASN 22 HD21 ASN 22 6.999 -6.525 -3.945 152 HD22 ASN 22 HD22 ASN 22 8.526 -6.757 -4.713 153 H ASP 23 H ASP 23 10.654 -3.882 -0.942 154 HA ASP 23 HA ASP 23 10.435 -1.160 -1.412 155 HB2 ASP 23 HB2 ASP 23 12.634 -2.993 -2.377 156 HB3 ASP 23 HB1 ASP 23 12.718 -1.243 -2.370 157 H ASP 24 H ASP 24 10.507 -3.773 -3.718 158 HA ASP 24 HA ASP 24 10.774 -2.284 -6.071 159 HB2 ASP 24 HB2 ASP 24 11.042 -4.708 -6.040 160 HB3 ASP 24 HB1 ASP 24 9.340 -4.908 -5.653 161 H LYS 25 H LYS 25 7.884 -3.056 -4.207 162 HA LYS 25 HA LYS 25 6.254 -1.782 -6.258 163 HB2 LYS 25 HB2 LYS 25 5.471 -3.525 -3.924 164 HB3 LYS 25 HB1 LYS 25 4.344 -2.788 -5.053 165 HG2 LYS 25 HG2 LYS 25 6.444 -4.834 -5.713 166 HG3 LYS 25 HG1 LYS 25 4.700 -5.097 -5.625 167 HD2 LYS 25 HD2 LYS 25 4.511 -3.278 -7.384 168 HD3 LYS 25 HD1 LYS 25 6.243 -3.434 -7.579 169 HE2 LYS 25 HE2 LYS 25 6.049 -5.771 -8.155 170 HE3 LYS 25 HE1 LYS 25 4.305 -5.706 -7.894 171 HZ1 LYS 25 HZ1 LYS 25 4.123 -4.167 -9.751 172 HZ2 LYS 25 HZ2 LYS 25 4.886 -5.566 -10.266 173 HZ3 LYS 25 HZ3 LYS 25 5.790 -4.185 -9.971 174 H LEU 26 H LEU 26 7.868 -0.731 -3.641 175 HA LEU 26 HA LEU 26 5.907 0.492 -2.090 176 HB2 LEU 26 HB2 LEU 26 8.791 1.201 -2.430 177 HB3 LEU 26 HB1 LEU 26 7.736 2.106 -1.364 178 HG LEU 26 HG LEU 26 8.455 -0.813 -1.124 179 HD11 LEU 26 HD11 LEU 26 10.254 0.734 -0.500 180 HD12 LEU 26 HD12 LEU 26 9.606 -0.116 0.903 181 HD13 LEU 26 HD13 LEU 26 9.151 1.561 0.601 182 HD21 LEU 26 HD21 LEU 26 7.232 -0.708 1.019 183 HD22 LEU 26 HD22 LEU 26 6.181 -0.478 -0.371 184 HD23 LEU 26 HD23 LEU 26 6.672 0.913 0.600 185 H LEU 27 H LEU 27 7.402 1.746 -5.074 186 HA LEU 27 HA LEU 27 6.607 4.339 -4.949 187 HB2 LEU 27 HB2 LEU 27 7.938 2.906 -6.658 188 HB3 LEU 27 HB1 LEU 27 6.370 2.611 -7.360 189 HG LEU 27 HG LEU 27 7.763 4.252 -8.432 190 HD11 LEU 27 HD11 LEU 27 5.330 4.303 -8.818 191 HD12 LEU 27 HD12 LEU 27 5.951 5.954 -8.809 192 HD13 LEU 27 HD13 LEU 27 5.118 5.319 -7.390 193 HD21 LEU 27 HD21 LEU 27 7.215 5.947 -6.016 194 HD22 LEU 27 HD22 LEU 27 7.941 6.539 -7.511 195 HD23 LEU 27 HD23 LEU 27 8.774 5.318 -6.544 196 H GLU 28 H GLU 28 4.869 1.496 -6.151 197 HA GLU 28 HA GLU 28 2.489 2.856 -6.834 198 HB2 GLU 28 HB2 GLU 28 2.970 -0.060 -6.236 199 HB3 GLU 28 HB1 GLU 28 1.457 0.584 -6.849 200 HG2 GLU 28 HG2 GLU 28 2.654 1.389 -8.839 201 HG3 GLU 28 HG1 GLU 28 4.122 0.613 -8.236 202 H MET 29 H MET 29 3.712 1.439 -3.931 203 HA MET 29 HA MET 29 1.142 1.295 -2.689 204 HB2 MET 29 HB2 MET 29 3.883 0.945 -1.493 205 HB3 MET 29 HB1 MET 29 2.379 0.662 -0.640 206 HG2 MET 29 HG2 MET 29 3.510 -0.870 -2.961 207 HG3 MET 29 HG1 MET 29 3.185 -1.452 -1.332 208 HE1 MET 29 HE1 MET 29 0.309 0.116 -1.042 209 HE2 MET 29 HE2 MET 29 0.599 -1.485 -0.354 210 HE3 MET 29 3HE MET 29 -0.817 -1.201 -1.384 211 H GLY 30 H GLY 30 3.555 3.622 -3.032 212 HA2 GLY 30 HA2 GLY 30 2.991 5.134 -0.702 213 HA3 GLY 30 HA1 GLY 30 3.823 5.767 -2.103 214 H TYR 31 H TYR 31 1.707 5.198 -3.950 215 HA TYR 31 HA TYR 31 -0.036 7.304 -3.081 216 HB2 TYR 31 HB2 TYR 31 -0.899 7.397 -5.433 217 HB3 TYR 31 HB1 TYR 31 0.803 7.772 -5.185 218 HD1 TYR 31 HD1 TYR 31 -1.558 5.335 -6.564 219 HD2 TYR 31 HD2 TYR 31 2.510 6.477 -6.206 220 HE1 TYR 31 HE1 TYR 31 -0.979 3.813 -8.359 221 HE2 TYR 31 HE2 TYR 31 3.121 4.960 -7.972 222 HH TYR 31 HH TYR 31 0.756 3.492 -9.985 223 H TYR 32 H TYR 32 -0.217 4.002 -3.981 224 HA TYR 32 HA TYR 32 -3.021 3.832 -3.814 225 HB2 TYR 32 HB2 TYR 32 -0.905 1.715 -3.822 226 HB3 TYR 32 HB1 TYR 32 -2.519 1.259 -3.354 227 HD1 TYR 32 HD1 TYR 32 -0.402 1.347 -6.041 228 HD2 TYR 32 HD2 TYR 32 -4.362 2.419 -4.965 229 HE1 TYR 32 HE1 TYR 32 -1.086 1.188 -8.400 230 HE2 TYR 32 HE2 TYR 32 -5.062 2.268 -7.278 231 HH TYR 32 HH TYR 32 -4.063 2.406 -9.463 232 H CYS 33 H CYS 33 -0.634 2.904 -1.308 233 HA CYS 33 HA CYS 33 -2.764 3.457 0.542 234 HB2 CYS 33 HB2 CYS 33 -1.241 0.863 0.513 235 HB3 CYS 33 HB1 CYS 33 -2.203 1.430 1.877 236 HA PRO 34 HA PRO 34 1.083 5.472 1.834 237 HB2 PRO 34 HB2 PRO 34 -0.057 7.771 2.634 238 HB3 PRO 34 HB1 PRO 34 0.296 7.441 0.931 239 HG2 PRO 34 HG2 PRO 34 -2.287 7.112 2.415 240 HG3 PRO 34 HG1 PRO 34 -2.007 7.897 0.857 241 HD2 PRO 34 HD2 PRO 34 -2.928 5.407 1.026 242 HD3 PRO 34 HD1 PRO 34 -1.807 5.885 -0.267 243 H VAL 35 H VAL 35 -1.907 4.764 3.361 244 HA VAL 35 HA VAL 35 -0.935 5.563 5.945 245 HB VAL 35 HB VAL 35 -3.528 4.158 5.314 246 HG11 VAL 35 HG11 VAL 35 -2.619 5.746 7.709 247 HG12 VAL 35 HG12 VAL 35 -2.838 4.000 7.649 248 HG13 VAL 35 3HG1 VAL 35 -4.236 5.072 7.487 249 HG21 VAL 35 HG21 VAL 35 -4.515 6.413 5.390 250 HG22 VAL 35 HG22 VAL 35 -3.315 6.223 4.095 251 HG23 VAL 35 HG23 VAL 35 -2.883 7.082 5.563 252 H THR 36 H THR 36 -2.115 2.592 4.455 253 HA THR 36 HA THR 36 -1.379 0.859 6.525 254 HB THR 36 HB THR 36 -1.806 0.319 3.587 255 HG1 THR 36 HG1 THR 36 -3.620 1.041 4.850 256 HG21 THR 36 HG21 THR 36 -0.412 -1.477 4.542 257 HG22 THR 36 HG22 THR 36 -2.041 -2.056 4.186 258 HG23 THR 36 HG23 THR 36 -1.583 -1.680 5.845 259 H CYS 37 H CYS 37 0.511 1.895 3.721 260 HA CYS 37 HA CYS 37 2.624 0.115 4.475 261 HB2 CYS 37 HB2 CYS 37 2.318 2.054 2.223 262 HB3 CYS 37 HB1 CYS 37 3.757 1.035 2.426 263 H GLY 38 H GLY 38 1.779 2.762 5.946 264 HA2 GLY 38 HA2 GLY 38 2.905 3.888 7.593 265 HA3 GLY 38 HA1 GLY 38 4.341 2.994 7.149 266 H PHE 39 H PHE 39 2.512 5.194 5.078 267 HA PHE 39 HA PHE 39 4.900 6.888 4.933 268 HB2 PHE 39 HB2 PHE 39 2.352 6.937 3.280 269 HB3 PHE 39 HB1 PHE 39 3.714 8.024 3.049 270 HD1 PHE 39 HD1 PHE 39 2.521 4.585 2.693 271 HD2 PHE 39 HD2 PHE 39 5.690 7.297 1.950 272 HE1 PHE 39 HE1 PHE 39 3.580 2.954 1.118 273 HE2 PHE 39 HE2 PHE 39 6.736 5.689 0.417 274 HZ PHE 39 HZ PHE 39 5.673 3.518 0.006 275 HA CYS 40 HA CYS 40 1.894 8.888 7.739 276 HB2 CYS 40 HB2 CYS 40 0.107 10.413 6.716 277 HB3 CYS 40 HB1 CYS 40 1.694 10.462 5.956 278 HN1 NH2 41 H1 CYS 40 -1.232 8.704 6.270 279 HN2 NH2 41 H2 CYS 40 -1.911 7.558 7.371 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 -5.978 17.081 0.275 2 H2 GLU 1 HT2 GLU 1 -6.704 17.615 1.683 3 H3 GLU 1 HT3 GLU 1 -7.630 17.485 0.272 4 HA GLU 1 HA GLU 1 -8.112 15.712 1.793 5 HB2 GLU 1 HB2 GLU 1 -7.658 13.797 0.413 6 HB3 GLU 1 HB1 GLU 1 -8.136 15.140 -0.636 7 HG2 GLU 1 HG2 GLU 1 -5.789 15.442 -1.250 8 HG3 GLU 1 HG1 GLU 1 -5.327 14.167 -0.124 9 H HIS 2 H HIS 2 -7.423 14.083 3.111 10 HA HIS 2 HA HIS 2 -4.627 14.200 3.840 11 HB2 HIS 2 HB2 HIS 2 -6.948 12.654 5.042 12 HB3 HIS 2 HB1 HIS 2 -5.309 12.660 5.676 13 HD1 HIS 2 HD1 HIS 2 -8.473 14.581 5.747 14 HD2 HIS 2 HD2 HIS 2 -4.487 15.139 6.775 15 HE1 HIS 2 HE1 HIS 2 -8.408 16.619 7.229 16 H CYS 3 H CYS 3 -3.241 12.704 3.200 17 HA CYS 3 HA CYS 3 -3.838 10.883 1.179 18 HB2 CYS 3 HB2 CYS 3 -1.564 9.890 1.726 19 HB3 CYS 3 HB1 CYS 3 -1.584 11.616 1.392 20 H ALA 4 H ALA 4 -4.999 9.129 1.257 21 HA ALA 4 HA ALA 4 -4.964 7.490 3.665 22 HB1 ALA 4 HB1 ALA 4 -7.430 8.352 2.154 23 HB2 ALA 4 HB2 ALA 4 -6.958 8.911 3.757 24 HB3 ALA 4 HB3 ALA 4 -7.396 7.220 3.506 25 H ASP 5 H ASP 5 -5.573 5.351 3.278 26 HA ASP 5 HA ASP 5 -4.505 4.166 0.944 27 HB2 ASP 5 HB2 ASP 5 -6.477 2.841 2.799 28 HB3 ASP 5 HB1 ASP 5 -5.252 2.075 1.806 29 H GLU 6 H GLU 6 -5.414 3.260 -0.809 30 HA GLU 6 HA GLU 6 -7.898 4.257 -1.775 31 HB2 GLU 6 HB2 GLU 6 -5.716 3.473 -3.059 32 HB3 GLU 6 HB1 GLU 6 -6.372 1.866 -2.884 33 HG2 GLU 6 HG2 GLU 6 -7.722 4.148 -4.304 34 HG3 GLU 6 HG1 GLU 6 -6.788 2.870 -5.066 35 H LYS 7 H LYS 7 -9.862 3.322 -1.441 36 HA LYS 7 HA LYS 7 -9.870 1.226 0.544 37 HB2 LYS 7 HB2 LYS 7 -12.209 1.581 0.952 38 HB3 LYS 7 HB1 LYS 7 -11.392 3.125 0.917 39 HG2 LYS 7 HG2 LYS 7 -12.879 2.058 -1.473 40 HG3 LYS 7 HG1 LYS 7 -13.696 2.919 -0.177 41 HD2 LYS 7 HD2 LYS 7 -11.436 4.037 -1.862 42 HD3 LYS 7 HD1 LYS 7 -13.144 4.355 -2.104 43 HE2 LYS 7 HE2 LYS 7 -11.558 5.080 0.369 44 HE3 LYS 7 HE1 LYS 7 -12.094 6.187 -0.880 45 HZ1 LYS 7 HZ1 LYS 7 -14.416 5.604 -0.297 46 HZ2 LYS 7 HZ2 LYS 7 -13.562 6.296 0.970 47 HZ3 LYS 7 HZ3 LYS 7 -13.848 4.662 0.979 48 H ASN 8 H ASN 8 -10.351 1.315 -2.772 49 HA ASN 8 HA ASN 8 -11.976 -1.102 -2.824 50 HB2 ASN 8 HB2 ASN 8 -10.573 0.329 -5.109 51 HB3 ASN 8 HB1 ASN 8 -11.711 -0.999 -5.291 52 HD21 ASN 8 HD21 ASN 8 -11.308 2.335 -4.535 53 HD22 ASN 8 HD22 ASN 8 -12.959 2.826 -4.656 54 H PHE 9 H PHE 9 -8.745 -0.173 -2.808 55 HA PHE 9 HA PHE 9 -7.562 -2.637 -3.752 56 HB2 PHE 9 HB2 PHE 9 -6.640 -0.238 -3.856 57 HB3 PHE 9 HB1 PHE 9 -6.273 -0.458 -2.149 58 HD1 PHE 9 HD1 PHE 9 -5.766 -1.905 -5.470 59 HD2 PHE 9 HD2 PHE 9 -4.330 -1.559 -1.504 60 HE1 PHE 9 HE1 PHE 9 -3.764 -3.038 -6.130 61 HE2 PHE 9 HE2 PHE 9 -2.268 -2.712 -2.151 62 HZ PHE 9 HZ PHE 9 -1.953 -3.448 -4.465 63 H ASP 10 H ASP 10 -6.793 -4.273 -2.403 64 HA ASP 10 HA ASP 10 -7.727 -4.039 0.336 65 HB2 ASP 10 HB2 ASP 10 -8.152 -6.152 -1.035 66 HB3 ASP 10 HB1 ASP 10 -6.434 -6.499 -0.844 67 H CYS 11 H CYS 11 -6.390 -2.835 1.390 68 HA CYS 11 HA CYS 11 -3.574 -2.858 0.989 69 HB2 CYS 11 HB2 CYS 11 -5.249 -1.524 3.119 70 HB3 CYS 11 HB1 CYS 11 -3.526 -1.259 2.876 71 H ARG 12 H ARG 12 -5.714 -4.649 2.968 72 HA ARG 12 HA ARG 12 -3.810 -5.162 5.063 73 HB2 ARG 12 HB2 ARG 12 -6.304 -6.732 4.411 74 HB3 ARG 12 HB1 ARG 12 -5.408 -6.771 5.919 75 HG2 ARG 12 HG2 ARG 12 -7.105 -4.549 4.820 76 HG3 ARG 12 HG1 ARG 12 -7.355 -5.497 6.281 77 HD2 ARG 12 HD2 ARG 12 -5.178 -3.460 5.774 78 HD3 ARG 12 HD1 ARG 12 -6.545 -3.279 6.862 79 HE ARG 12 HE ARG 12 -5.006 -5.534 7.583 80 HH11 ARG 12 HH11 ARG 12 -4.922 -1.973 7.723 81 HH12 ARG 12 HH12 ARG 12 -3.905 -1.936 9.070 82 HH21 ARG 12 HH21 ARG 12 -3.538 -5.430 9.419 83 HH22 ARG 12 HH22 ARG 12 -3.106 -3.919 10.047 84 H ARG 13 H ARG 13 -5.105 -6.897 2.329 85 HA ARG 13 HA ARG 13 -3.658 -9.277 2.374 86 HB2 ARG 13 HB2 ARG 13 -5.489 -8.627 0.784 87 HB3 ARG 13 HB1 ARG 13 -4.335 -7.599 -0.047 88 HG2 ARG 13 HG2 ARG 13 -2.966 -9.632 -0.487 89 HG3 ARG 13 HG1 ARG 13 -4.293 -10.595 0.167 90 HD2 ARG 13 HD2 ARG 13 -4.634 -10.571 -2.185 91 HD3 ARG 13 HD1 ARG 13 -5.778 -9.414 -1.514 92 HE ARG 13 HE ARG 13 -3.296 -8.212 -2.276 93 HH11 ARG 13 HH11 ARG 13 -6.485 -9.121 -3.473 94 HH12 ARG 13 HH12 ARG 13 -6.411 -8.142 -4.859 95 HH21 ARG 13 HH21 ARG 13 -3.161 -6.888 -4.162 96 HH22 ARG 13 HH22 ARG 13 -4.449 -6.830 -5.269 97 H SER 14 H SER 14 -2.921 -6.193 0.867 98 HA SER 14 HA SER 14 -0.438 -6.812 -0.207 99 HB2 SER 14 HB2 SER 14 -1.486 -4.150 0.736 100 HB3 SER 14 HB1 SER 14 -0.195 -4.404 -0.444 101 HG SER 14 HG SER 14 -2.956 -4.691 -0.747 102 H LEU 15 H LEU 15 -1.307 -5.778 3.034 103 HA LEU 15 HA LEU 15 1.415 -5.295 3.770 104 HB2 LEU 15 HB2 LEU 15 -0.544 -4.135 4.795 105 HB3 LEU 15 HB1 LEU 15 -0.977 -5.648 5.555 106 HG LEU 15 HG LEU 15 1.108 -5.643 6.829 107 HD11 LEU 15 HD11 LEU 15 2.514 -4.487 5.237 108 HD12 LEU 15 HD12 LEU 15 2.565 -3.662 6.798 109 HD13 LEU 15 HD13 LEU 15 1.607 -2.993 5.471 110 HD21 LEU 15 HD21 LEU 15 -0.881 -4.586 7.772 111 HD22 LEU 15 HD22 LEU 15 -0.415 -3.051 7.031 112 HD23 LEU 15 HD23 LEU 15 0.592 -3.763 8.294 113 H ARG 16 H ARG 16 -0.887 -7.878 4.151 114 HA ARG 16 HA ARG 16 0.756 -9.502 5.799 115 HB2 ARG 16 HB2 ARG 16 -1.602 -10.192 4.065 116 HB3 ARG 16 HB1 ARG 16 -0.812 -11.333 5.141 117 HG2 ARG 16 HG2 ARG 16 -1.382 -9.942 7.051 118 HG3 ARG 16 HG1 ARG 16 -2.149 -8.772 5.974 119 HD2 ARG 16 HD2 ARG 16 -3.775 -10.390 5.289 120 HD3 ARG 16 HD1 ARG 16 -2.961 -11.661 6.197 121 HE ARG 16 HE ARG 16 -3.934 -9.332 7.633 122 HH11 ARG 16 HH11 ARG 16 -4.338 -12.775 6.827 123 HH12 ARG 16 HH12 ARG 16 -5.376 -13.089 8.135 124 HH21 ARG 16 HH21 ARG 16 -5.392 -9.817 9.461 125 HH22 ARG 16 HH22 ARG 16 -6.003 -11.405 9.611 126 H ASN 17 H ASN 17 0.334 -9.264 2.325 127 HA ASN 17 HA ASN 17 1.898 -11.576 1.668 128 HB2 ASN 17 HB2 ASN 17 1.320 -9.103 0.035 129 HB3 ASN 17 HB1 ASN 17 2.175 -10.502 -0.568 130 HD21 ASN 17 HD21 ASN 17 -0.130 -9.287 -1.535 131 HD22 ASN 17 HD22 ASN 17 -1.408 -10.477 -1.535 132 H GLY 18 H GLY 18 2.514 -8.168 1.952 133 HA2 GLY 18 HA2 GLY 18 4.687 -7.517 2.884 134 HA3 GLY 18 HA1 GLY 18 5.397 -8.732 1.824 135 H ASP 19 H ASP 19 2.885 -7.376 0.195 136 HA ASP 19 HA ASP 19 4.442 -6.103 -1.797 137 HB2 ASP 19 HB2 ASP 19 1.543 -5.484 -1.129 138 HB3 ASP 19 HB1 ASP 19 2.349 -5.138 -2.644 139 H CYS 20 H CYS 20 2.710 -4.997 0.935 140 HA CYS 20 HA CYS 20 3.095 -2.163 0.559 141 HB2 CYS 20 HB2 CYS 20 1.085 -3.242 1.553 142 HB3 CYS 20 HB1 CYS 20 2.101 -3.788 2.870 143 H ASP 21 H ASP 21 5.162 -4.560 1.544 144 HA ASP 21 HA ASP 21 6.565 -2.794 3.441 145 HB2 ASP 21 HB2 ASP 21 5.526 -4.724 4.565 146 HB3 ASP 21 HB1 ASP 21 6.363 -5.813 3.475 147 H ASN 22 H ASN 22 6.640 -4.329 0.490 148 HA ASN 22 HA ASN 22 9.475 -4.918 0.402 149 HB2 ASN 22 HB2 ASN 22 7.739 -6.334 -0.755 150 HB3 ASN 22 HB1 ASN 22 7.417 -4.977 -1.821 151 HD21 ASN 22 HD21 ASN 22 8.222 -7.539 -2.599 152 HD22 ASN 22 HD22 ASN 22 9.768 -7.444 -3.363 153 H ASP 23 H ASP 23 10.901 -3.500 -0.199 154 HA ASP 23 HA ASP 23 10.463 -0.803 -0.680 155 HB2 ASP 23 HB2 ASP 23 12.591 -1.620 0.111 156 HB3 ASP 23 HB1 ASP 23 12.843 -2.522 -1.375 157 H ASP 24 H ASP 24 10.775 -3.445 -2.930 158 HA ASP 24 HA ASP 24 11.061 -1.886 -5.293 159 HB2 ASP 24 HB2 ASP 24 11.761 -4.227 -5.213 160 HB3 ASP 24 HB1 ASP 24 10.096 -4.730 -4.953 161 H LYS 25 H LYS 25 8.300 -2.955 -3.450 162 HA LYS 25 HA LYS 25 6.503 -2.145 -5.584 163 HB2 LYS 25 HB2 LYS 25 6.138 -3.869 -3.155 164 HB3 LYS 25 HB1 LYS 25 4.745 -3.146 -3.943 165 HG2 LYS 25 HG2 LYS 25 5.058 -5.411 -4.648 166 HG3 LYS 25 HG1 LYS 25 5.351 -4.309 -5.995 167 HD2 LYS 25 HD2 LYS 25 7.763 -4.563 -5.641 168 HD3 LYS 25 HD1 LYS 25 7.444 -5.691 -4.321 169 HE2 LYS 25 HE2 LYS 25 6.367 -7.205 -5.803 170 HE3 LYS 25 HE1 LYS 25 6.482 -6.052 -7.134 171 HZ1 LYS 25 HZ1 LYS 25 8.189 -7.701 -7.355 172 HZ2 LYS 25 HZ2 LYS 25 8.755 -7.439 -5.799 173 HZ3 LYS 25 HZ3 LYS 25 8.906 -6.215 -6.974 174 H LEU 26 H LEU 26 8.003 -0.597 -3.173 175 HA LEU 26 HA LEU 26 5.868 0.494 -1.729 176 HB2 LEU 26 HB2 LEU 26 8.686 1.435 -2.006 177 HB3 LEU 26 HB1 LEU 26 7.513 2.307 -1.043 178 HG LEU 26 HG LEU 26 8.445 -0.525 -0.589 179 HD11 LEU 26 HD11 LEU 26 9.420 0.379 1.453 180 HD12 LEU 26 HD12 LEU 26 8.876 1.994 0.999 181 HD13 LEU 26 HD13 LEU 26 10.091 1.168 0.024 182 HD21 LEU 26 HD21 LEU 26 7.119 -0.398 1.492 183 HD22 LEU 26 HD22 LEU 26 6.120 -0.347 0.049 184 HD23 LEU 26 HD23 LEU 26 6.445 1.139 0.946 185 H LEU 27 H LEU 27 7.342 1.745 -4.744 186 HA LEU 27 HA LEU 27 6.236 4.265 -4.633 187 HB2 LEU 27 HB2 LEU 27 7.953 3.131 -6.193 188 HB3 LEU 27 HB1 LEU 27 6.566 2.559 -7.067 189 HG LEU 27 HG LEU 27 7.757 4.421 -7.977 190 HD11 LEU 27 HD11 LEU 27 4.849 4.978 -7.308 191 HD12 LEU 27 HD12 LEU 27 5.433 4.023 -8.674 192 HD13 LEU 27 HD13 LEU 27 5.725 5.763 -8.623 193 HD21 LEU 27 HD21 LEU 27 7.378 6.712 -7.101 194 HD22 LEU 27 HD22 LEU 27 8.313 5.678 -6.015 195 HD23 LEU 27 HD23 LEU 27 6.608 5.993 -5.689 196 H GLU 28 H GLU 28 5.079 1.217 -5.928 197 HA GLU 28 HA GLU 28 2.610 2.150 -6.904 198 HB2 GLU 28 HB2 GLU 28 3.633 0.067 -7.657 199 HB3 GLU 28 HB1 GLU 28 3.448 -0.620 -6.052 200 HG2 GLU 28 HG2 GLU 28 1.073 -0.604 -6.260 201 HG3 GLU 28 HG1 GLU 28 1.165 0.252 -7.802 202 H MET 29 H MET 29 3.701 1.030 -3.814 203 HA MET 29 HA MET 29 1.015 0.730 -2.854 204 HB2 MET 29 HB2 MET 29 3.676 0.323 -1.538 205 HB3 MET 29 HB1 MET 29 2.153 0.146 -0.680 206 HG2 MET 29 HG2 MET 29 3.095 -1.447 -3.053 207 HG3 MET 29 HG1 MET 29 2.932 -2.033 -1.405 208 HE1 MET 29 HE1 MET 29 -1.035 -1.600 -1.008 209 HE2 MET 29 HE2 MET 29 0.137 -0.292 -0.875 210 HE3 MET 29 3HE MET 29 0.489 -1.858 -0.144 211 H GLY 30 H GLY 30 3.184 3.188 -3.131 212 HA2 GLY 30 HA2 GLY 30 2.397 4.705 -0.839 213 HA3 GLY 30 HA1 GLY 30 3.279 5.342 -2.215 214 H TYR 31 H TYR 31 1.376 4.568 -4.198 215 HA TYR 31 HA TYR 31 -0.565 6.570 -3.595 216 HB2 TYR 31 HB2 TYR 31 -1.404 6.263 -5.965 217 HB3 TYR 31 HB1 TYR 31 0.215 6.908 -5.690 218 HD1 TYR 31 HD1 TYR 31 2.106 5.849 -6.571 219 HD2 TYR 31 HD2 TYR 31 -1.682 3.963 -6.856 220 HE1 TYR 31 HE1 TYR 31 3.042 4.291 -8.166 221 HE2 TYR 31 HE2 TYR 31 -0.781 2.372 -8.465 222 HH TYR 31 HH TYR 31 2.621 2.086 -9.127 223 H TYR 32 H TYR 32 -0.456 3.270 -3.852 224 HA TYR 32 HA TYR 32 -3.298 2.988 -3.635 225 HB2 TYR 32 HB2 TYR 32 -1.141 0.919 -3.489 226 HB3 TYR 32 HB1 TYR 32 -2.782 0.517 -3.003 227 HD1 TYR 32 HD1 TYR 32 -0.646 0.275 -5.635 228 HD2 TYR 32 HD2 TYR 32 -4.558 1.633 -4.745 229 HE1 TYR 32 HE1 TYR 32 -1.282 -0.024 -7.994 230 HE2 TYR 32 HE2 TYR 32 -5.221 1.351 -7.038 231 HH TYR 32 HH TYR 32 -4.125 1.298 -9.236 232 H CYS 33 H CYS 33 -0.783 2.295 -1.144 233 HA CYS 33 HA CYS 33 -2.928 2.886 0.745 234 HB2 CYS 33 HB2 CYS 33 -1.033 0.559 1.052 235 HB3 CYS 33 HB1 CYS 33 -2.386 0.991 2.096 236 HA PRO 34 HA PRO 34 1.041 5.243 1.565 237 HB2 PRO 34 HB2 PRO 34 -0.238 7.519 2.388 238 HB3 PRO 34 HB1 PRO 34 0.215 7.192 0.710 239 HG2 PRO 34 HG2 PRO 34 -2.404 6.723 2.079 240 HG3 PRO 34 HG1 PRO 34 -2.103 7.504 0.520 241 HD2 PRO 34 HD2 PRO 34 -2.892 5.001 0.578 242 HD3 PRO 34 HD1 PRO 34 -1.587 5.471 -0.525 243 H VAL 35 H VAL 35 -1.877 4.706 3.365 244 HA VAL 35 HA VAL 35 -0.615 5.569 5.802 245 HB VAL 35 HB VAL 35 -3.365 4.367 5.457 246 HG11 VAL 35 HG11 VAL 35 -2.488 4.168 7.739 247 HG12 VAL 35 HG12 VAL 35 -3.799 5.352 7.672 248 HG13 VAL 35 3HG1 VAL 35 -2.117 5.890 7.745 249 HG21 VAL 35 HG21 VAL 35 -3.043 6.410 4.208 250 HG22 VAL 35 HG22 VAL 35 -2.450 7.217 5.652 251 HG23 VAL 35 HG23 VAL 35 -4.139 6.687 5.571 252 H THR 36 H THR 36 -1.959 2.601 4.478 253 HA THR 36 HA THR 36 -1.335 0.857 6.576 254 HB THR 36 HB THR 36 -1.347 0.122 3.642 255 HG1 THR 36 HG1 THR 36 -3.229 1.300 4.166 256 HG21 THR 36 HG21 THR 36 -2.196 -2.035 4.476 257 HG22 THR 36 HG22 THR 36 -2.091 -1.435 6.130 258 HG23 THR 36 HG23 THR 36 -0.624 -1.658 5.177 259 H CYS 37 H CYS 37 0.610 1.882 3.830 260 HA CYS 37 HA CYS 37 2.782 0.157 4.584 261 HB2 CYS 37 HB2 CYS 37 2.544 2.195 2.394 262 HB3 CYS 37 HB1 CYS 37 3.876 1.049 2.572 263 H GLY 38 H GLY 38 1.797 2.822 6.018 264 HA2 GLY 38 HA2 GLY 38 2.856 4.004 7.651 265 HA3 GLY 38 HA1 GLY 38 4.333 3.163 7.236 266 H PHE 39 H PHE 39 2.808 4.966 4.693 267 HA PHE 39 HA PHE 39 5.035 6.820 4.655 268 HB2 PHE 39 HB2 PHE 39 2.512 6.768 2.968 269 HB3 PHE 39 HB1 PHE 39 3.872 7.844 2.704 270 HD1 PHE 39 HD1 PHE 39 5.951 6.992 1.803 271 HD2 PHE 39 HD2 PHE 39 2.573 4.499 2.337 272 HE1 PHE 39 HE1 PHE 39 6.962 5.336 0.288 273 HE2 PHE 39 HE2 PHE 39 3.583 2.816 0.798 274 HZ PHE 39 HZ PHE 39 5.769 3.246 -0.210 275 HA CYS 40 HA CYS 40 1.849 9.515 6.462 276 HB2 CYS 40 HB2 CYS 40 -0.611 8.105 5.412 277 HB3 CYS 40 HB1 CYS 40 -0.563 9.738 6.066 278 HN1 NH2 41 H1 CYS 40 2.558 8.665 8.438 279 HN2 NH2 41 H2 CYS 40 1.537 7.718 9.467 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 -4.500 16.889 0.087 2 H2 GLU 1 HT2 GLU 1 -5.939 17.731 -0.033 3 H3 GLU 1 HT3 GLU 1 -5.001 17.462 -1.418 4 HA GLU 1 HA GLU 1 -6.931 15.994 -1.316 5 HB2 GLU 1 HB2 GLU 1 -5.716 13.825 -1.513 6 HB3 GLU 1 HB1 GLU 1 -5.011 15.091 -2.496 7 HG2 GLU 1 HG2 GLU 1 -3.187 15.344 -0.999 8 HG3 GLU 1 HG1 GLU 1 -3.977 14.353 0.225 9 H HIS 2 H HIS 2 -7.468 13.761 -0.354 10 HA HIS 2 HA HIS 2 -7.353 13.979 2.549 11 HB2 HIS 2 HB2 HIS 2 -9.169 12.397 0.704 12 HB3 HIS 2 HB1 HIS 2 -9.202 12.245 2.454 13 HD1 HIS 2 HD1 HIS 2 -10.503 14.058 3.749 14 HD2 HIS 2 HD2 HIS 2 -10.145 14.855 -0.311 15 HE1 HIS 2 HE1 HIS 2 -12.049 15.974 3.280 16 H CYS 3 H CYS 3 -5.768 12.863 3.394 17 HA CYS 3 HA CYS 3 -4.471 10.843 1.813 18 HB2 CYS 3 HB2 CYS 3 -3.201 12.546 3.047 19 HB3 CYS 3 HB1 CYS 3 -3.816 11.841 4.555 20 H ALA 4 H ALA 4 -5.661 9.207 1.770 21 HA ALA 4 HA ALA 4 -5.961 7.549 4.144 22 HB1 ALA 4 HB1 ALA 4 -8.060 8.796 4.066 23 HB2 ALA 4 HB2 ALA 4 -8.328 7.092 3.703 24 HB3 ALA 4 HB3 ALA 4 -8.316 8.281 2.399 25 H ASP 5 H ASP 5 -6.007 5.396 3.652 26 HA ASP 5 HA ASP 5 -4.732 4.495 1.316 27 HB2 ASP 5 HB2 ASP 5 -6.571 2.821 3.021 28 HB3 ASP 5 HB1 ASP 5 -5.268 2.246 1.998 29 H GLU 6 H GLU 6 -5.485 3.337 -0.485 30 HA GLU 6 HA GLU 6 -7.861 4.438 -1.513 31 HB2 GLU 6 HB2 GLU 6 -5.816 4.090 -2.837 32 HB3 GLU 6 HB1 GLU 6 -6.013 2.354 -2.664 33 HG2 GLU 6 HG2 GLU 6 -6.731 3.242 -4.824 34 HG3 GLU 6 HG1 GLU 6 -8.003 2.380 -3.949 35 H LYS 7 H LYS 7 -9.661 3.401 -2.207 36 HA LYS 7 HA LYS 7 -10.592 1.307 -0.430 37 HB2 LYS 7 HB2 LYS 7 -12.781 1.873 -1.267 38 HB3 LYS 7 HB1 LYS 7 -11.909 3.327 -0.817 39 HG2 LYS 7 HG2 LYS 7 -11.301 3.504 -3.299 40 HG3 LYS 7 HG1 LYS 7 -12.569 2.307 -3.557 41 HD2 LYS 7 HD2 LYS 7 -13.611 4.401 -3.848 42 HD3 LYS 7 HD1 LYS 7 -14.048 3.804 -2.233 43 HE2 LYS 7 HE2 LYS 7 -13.481 6.196 -2.166 44 HE3 LYS 7 HE1 LYS 7 -12.369 5.236 -1.202 45 HZ1 LYS 7 HZ1 LYS 7 -11.170 6.862 -2.472 46 HZ2 LYS 7 HZ2 LYS 7 -11.863 6.360 -3.908 47 HZ3 LYS 7 HZ3 LYS 7 -10.762 5.360 -3.128 48 H ASN 8 H ASN 8 -9.643 1.714 -3.623 49 HA ASN 8 HA ASN 8 -10.877 -0.738 -4.649 50 HB2 ASN 8 HB2 ASN 8 -8.912 1.100 -6.034 51 HB3 ASN 8 HB1 ASN 8 -9.833 -0.186 -6.793 52 HD21 ASN 8 HD21 ASN 8 -12.053 0.150 -7.193 53 HD22 ASN 8 HD22 ASN 8 -12.720 1.742 -7.167 54 H PHE 9 H PHE 9 -8.439 -0.278 -2.689 55 HA PHE 9 HA PHE 9 -6.755 -2.395 -3.845 56 HB2 PHE 9 HB2 PHE 9 -5.903 0.047 -3.949 57 HB3 PHE 9 HB1 PHE 9 -5.726 -0.114 -2.204 58 HD1 PHE 9 HD1 PHE 9 -3.865 -1.165 -1.307 59 HD2 PHE 9 HD2 PHE 9 -4.805 -1.627 -5.407 60 HE1 PHE 9 HE1 PHE 9 -1.718 -2.277 -1.667 61 HE2 PHE 9 HE2 PHE 9 -2.704 -2.732 -5.796 62 HZ PHE 9 HZ PHE 9 -1.104 -3.052 -3.906 63 H ASP 10 H ASP 10 -6.100 -3.870 -2.244 64 HA ASP 10 HA ASP 10 -7.401 -3.433 0.344 65 HB2 ASP 10 HB2 ASP 10 -7.960 -5.560 -0.949 66 HB3 ASP 10 HB1 ASP 10 -6.300 -6.071 -0.649 67 H CYS 11 H CYS 11 -6.062 -2.415 1.550 68 HA CYS 11 HA CYS 11 -3.267 -2.605 1.257 69 HB2 CYS 11 HB2 CYS 11 -4.994 -1.194 3.252 70 HB3 CYS 11 HB1 CYS 11 -3.236 -1.020 3.160 71 H ARG 12 H ARG 12 -5.525 -4.233 3.308 72 HA ARG 12 HA ARG 12 -3.575 -4.949 5.291 73 HB2 ARG 12 HB2 ARG 12 -6.243 -6.223 4.684 74 HB3 ARG 12 HB1 ARG 12 -5.253 -6.565 6.094 75 HG2 ARG 12 HG2 ARG 12 -6.492 -3.900 5.440 76 HG3 ARG 12 HG1 ARG 12 -7.124 -5.075 6.591 77 HD2 ARG 12 HD2 ARG 12 -5.143 -4.826 7.973 78 HD3 ARG 12 HD1 ARG 12 -4.414 -3.749 6.782 79 HE ARG 12 HE ARG 12 -6.959 -2.850 7.708 80 HH11 ARG 12 HH11 ARG 12 -3.527 -2.877 8.560 81 HH12 ARG 12 HH12 ARG 12 -3.588 -1.420 9.414 82 HH21 ARG 12 HH21 ARG 12 -7.019 -0.780 8.862 83 HH22 ARG 12 HH22 ARG 12 -5.587 -0.193 9.557 84 H ARG 13 H ARG 13 -5.107 -6.644 2.592 85 HA ARG 13 HA ARG 13 -3.705 -9.060 2.839 86 HB2 ARG 13 HB2 ARG 13 -5.707 -8.832 1.449 87 HB3 ARG 13 HB1 ARG 13 -4.857 -7.739 0.374 88 HG2 ARG 13 HG2 ARG 13 -3.394 -9.549 -0.329 89 HG3 ARG 13 HG1 ARG 13 -4.197 -10.647 0.794 90 HD2 ARG 13 HD2 ARG 13 -5.073 -10.970 -1.442 91 HD3 ARG 13 HD1 ARG 13 -6.311 -10.289 -0.386 92 HE ARG 13 HE ARG 13 -4.787 -8.422 -2.007 93 HH11 ARG 13 HH11 ARG 13 -7.830 -10.241 -1.623 94 HH12 ARG 13 HH12 ARG 13 -8.673 -9.272 -2.751 95 HH21 ARG 13 HH21 ARG 13 -5.998 -7.160 -3.600 96 HH22 ARG 13 HH22 ARG 13 -7.628 -7.562 -3.887 97 H SER 14 H SER 14 -2.949 -6.131 1.040 98 HA SER 14 HA SER 14 -0.680 -7.171 -0.269 99 HB2 SER 14 HB2 SER 14 -1.321 -4.292 0.407 100 HB3 SER 14 HB1 SER 14 -0.241 -4.855 -0.873 101 HG SER 14 HG SER 14 -3.006 -4.780 -0.772 102 H LEU 15 H LEU 15 -1.109 -5.411 2.784 103 HA LEU 15 HA LEU 15 1.596 -5.081 3.449 104 HB2 LEU 15 HB2 LEU 15 -0.207 -3.870 4.540 105 HB3 LEU 15 HB1 LEU 15 -0.844 -5.362 5.192 106 HG LEU 15 HG LEU 15 1.236 -5.608 6.529 107 HD11 LEU 15 HD11 LEU 15 2.728 -4.270 5.167 108 HD12 LEU 15 HD12 LEU 15 2.682 -3.679 6.825 109 HD13 LEU 15 HD13 LEU 15 1.808 -2.815 5.557 110 HD21 LEU 15 HD21 LEU 15 -0.789 -4.697 7.503 111 HD22 LEU 15 HD22 LEU 15 -0.342 -3.080 6.955 112 HD23 LEU 15 HD23 LEU 15 0.638 -3.904 8.169 113 H ARG 16 H ARG 16 -0.733 -7.609 4.210 114 HA ARG 16 HA ARG 16 1.042 -9.138 5.808 115 HB2 ARG 16 HB2 ARG 16 -1.591 -9.828 4.526 116 HB3 ARG 16 HB1 ARG 16 -0.724 -10.912 5.604 117 HG2 ARG 16 HG2 ARG 16 -0.897 -9.281 7.411 118 HG3 ARG 16 HG1 ARG 16 -1.706 -8.156 6.326 119 HD2 ARG 16 HD2 ARG 16 -3.298 -9.328 7.778 120 HD3 ARG 16 HD1 ARG 16 -3.565 -9.688 6.074 121 HE ARG 16 HE ARG 16 -1.876 -11.627 7.121 122 HH11 ARG 16 HH11 ARG 16 -5.263 -10.611 7.510 123 HH12 ARG 16 HH12 ARG 16 -5.839 -12.158 7.880 124 HH21 ARG 16 HH21 ARG 16 -2.687 -13.780 7.687 125 HH22 ARG 16 HH22 ARG 16 -4.347 -13.986 8.009 126 H ASN 17 H ASN 17 0.368 -9.109 2.395 127 HA ASN 17 HA ASN 17 1.738 -11.603 1.910 128 HB2 ASN 17 HB2 ASN 17 0.558 -9.544 0.112 129 HB3 ASN 17 HB1 ASN 17 1.776 -10.642 -0.532 130 HD21 ASN 17 HD21 ASN 17 -1.333 -10.421 0.924 131 HD22 ASN 17 HD22 ASN 17 -1.913 -11.973 0.399 132 H GLY 18 H GLY 18 2.582 -8.304 1.884 133 HA2 GLY 18 HA2 GLY 18 4.952 -7.929 2.594 134 HA3 GLY 18 HA1 GLY 18 5.368 -9.200 1.462 135 H ASP 19 H ASP 19 2.929 -7.113 0.372 136 HA ASP 19 HA ASP 19 4.423 -6.205 -1.842 137 HB2 ASP 19 HB2 ASP 19 1.812 -5.303 -0.680 138 HB3 ASP 19 HB1 ASP 19 2.520 -4.506 -2.077 139 H CYS 20 H CYS 20 3.834 -4.783 1.286 140 HA CYS 20 HA CYS 20 4.892 -2.222 0.424 141 HB2 CYS 20 HB2 CYS 20 2.938 -2.528 2.062 142 HB3 CYS 20 HB1 CYS 20 4.131 -3.046 3.237 143 H ASP 21 H ASP 21 6.119 -5.107 1.279 144 HA ASP 21 HA ASP 21 8.592 -4.033 2.476 145 HB2 ASP 21 HB2 ASP 21 7.494 -5.926 3.661 146 HB3 ASP 21 HB1 ASP 21 7.600 -6.887 2.195 147 H ASN 22 H ASN 22 7.185 -4.844 -0.365 148 HA ASN 22 HA ASN 22 9.456 -6.084 -1.658 149 HB2 ASN 22 HB2 ASN 22 7.106 -6.826 -2.089 150 HB3 ASN 22 HB1 ASN 22 6.757 -5.242 -2.750 151 HD21 ASN 22 HD21 ASN 22 6.520 -7.829 -3.987 152 HD22 ASN 22 HD22 ASN 22 7.565 -7.840 -5.357 153 H ASP 23 H ASP 23 11.023 -4.786 -2.376 154 HA ASP 23 HA ASP 23 10.888 -1.999 -2.437 155 HB2 ASP 23 HB2 ASP 23 12.855 -3.872 -3.712 156 HB3 ASP 23 HB1 ASP 23 12.979 -2.129 -3.914 157 H ASP 24 H ASP 24 10.306 -4.282 -4.985 158 HA ASP 24 HA ASP 24 10.217 -2.352 -7.082 159 HB2 ASP 24 HB2 ASP 24 9.056 -5.139 -6.961 160 HB3 ASP 24 HB1 ASP 24 8.967 -4.108 -8.377 161 H LYS 25 H LYS 25 7.930 -3.331 -4.695 162 HA LYS 25 HA LYS 25 5.818 -1.939 -6.146 163 HB2 LYS 25 HB2 LYS 25 5.754 -4.088 -4.067 164 HB3 LYS 25 HB1 LYS 25 4.359 -3.049 -4.307 165 HG2 LYS 25 HG2 LYS 25 4.064 -5.091 -5.485 166 HG3 LYS 25 HG1 LYS 25 4.295 -3.768 -6.634 167 HD2 LYS 25 HD2 LYS 25 6.578 -4.489 -7.024 168 HD3 LYS 25 HD1 LYS 25 6.404 -5.764 -5.813 169 HE2 LYS 25 HE2 LYS 25 4.658 -6.790 -7.099 170 HE3 LYS 25 HE1 LYS 25 4.740 -5.497 -8.294 171 HZ1 LYS 25 HZ1 LYS 25 5.889 -7.466 -9.051 172 HZ2 LYS 25 HZ2 LYS 25 6.926 -7.459 -7.728 173 HZ3 LYS 25 HZ3 LYS 25 6.968 -6.201 -8.870 174 H LEU 26 H LEU 26 8.060 -0.964 -4.092 175 HA LEU 26 HA LEU 26 6.655 0.010 -1.879 176 HB2 LEU 26 HB2 LEU 26 9.210 0.947 -3.120 177 HB3 LEU 26 HB1 LEU 26 8.533 1.716 -1.696 178 HG LEU 26 HG LEU 26 9.283 -1.186 -1.893 179 HD11 LEU 26 HD11 LEU 26 10.674 1.121 -0.525 180 HD12 LEU 26 HD12 LEU 26 11.240 0.301 -1.980 181 HD13 LEU 26 HD13 LEU 26 11.170 -0.570 -0.446 182 HD21 LEU 26 HD21 LEU 26 9.030 -1.134 0.559 183 HD22 LEU 26 HD22 LEU 26 7.523 -0.833 -0.294 184 HD23 LEU 26 HD23 LEU 26 8.406 0.511 0.435 185 H LEU 27 H LEU 27 7.317 1.727 -4.944 186 HA LEU 27 HA LEU 27 6.181 4.161 -4.244 187 HB2 LEU 27 HB2 LEU 27 7.508 3.886 -6.224 188 HB3 LEU 27 HB1 LEU 27 6.418 2.654 -6.834 189 HG LEU 27 HG LEU 27 4.684 4.381 -6.789 190 HD11 LEU 27 HD11 LEU 27 5.435 6.743 -7.096 191 HD12 LEU 27 HD12 LEU 27 7.066 6.235 -6.657 192 HD13 LEU 27 HD13 LEU 27 5.756 6.103 -5.484 193 HD21 LEU 27 HD21 LEU 27 5.329 5.232 -9.027 194 HD22 LEU 27 HD22 LEU 27 5.520 3.491 -8.780 195 HD23 LEU 27 HD23 LEU 27 6.941 4.542 -8.755 196 H GLU 28 H GLU 28 4.957 1.276 -5.751 197 HA GLU 28 HA GLU 28 2.336 1.959 -6.424 198 HB2 GLU 28 HB2 GLU 28 3.717 -0.131 -6.984 199 HB3 GLU 28 HB1 GLU 28 3.256 -0.734 -5.406 200 HG2 GLU 28 HG2 GLU 28 1.772 -1.750 -6.874 201 HG3 GLU 28 HG1 GLU 28 0.844 -0.410 -6.203 202 H MET 29 H MET 29 3.803 0.878 -3.460 203 HA MET 29 HA MET 29 1.256 0.401 -2.161 204 HB2 MET 29 HB2 MET 29 4.091 -0.013 -1.337 205 HB3 MET 29 HB1 MET 29 2.786 -0.161 -0.166 206 HG2 MET 29 HG2 MET 29 3.163 -1.744 -2.695 207 HG3 MET 29 HG1 MET 29 3.391 -2.327 -1.050 208 HE1 MET 29 HE1 MET 29 1.325 -2.345 0.750 209 HE2 MET 29 HE2 MET 29 -0.346 -1.995 0.290 210 HE3 MET 29 3HE MET 29 0.868 -0.714 0.257 211 H GLY 30 H GLY 30 3.653 2.798 -2.257 212 HA2 GLY 30 HA2 GLY 30 2.905 4.006 0.206 213 HA3 GLY 30 HA1 GLY 30 3.944 4.777 -0.956 214 H TYR 31 H TYR 31 1.872 4.479 -3.124 215 HA TYR 31 HA TYR 31 0.271 6.642 -2.086 216 HB2 TYR 31 HB2 TYR 31 -0.502 7.156 -4.267 217 HB3 TYR 31 HB1 TYR 31 1.269 7.084 -4.232 218 HD1 TYR 31 HD1 TYR 31 2.378 5.273 -5.464 219 HD2 TYR 31 HD2 TYR 31 -1.819 5.808 -5.580 220 HE1 TYR 31 HE1 TYR 31 2.285 3.917 -7.460 221 HE2 TYR 31 HE2 TYR 31 -1.968 4.449 -7.566 222 HH TYR 31 HH TYR 31 0.480 2.467 -8.615 223 H TYR 32 H TYR 32 -0.206 3.445 -3.209 224 HA TYR 32 HA TYR 32 -3.019 3.615 -3.047 225 HB2 TYR 32 HB2 TYR 32 -1.197 1.224 -3.106 226 HB3 TYR 32 HB1 TYR 32 -2.887 1.006 -2.720 227 HD1 TYR 32 HD1 TYR 32 -0.597 0.886 -5.274 228 HD2 TYR 32 HD2 TYR 32 -4.493 2.338 -4.446 229 HE1 TYR 32 HE1 TYR 32 -1.126 0.791 -7.657 230 HE2 TYR 32 HE2 TYR 32 -5.038 2.258 -6.831 231 HH TYR 32 HH TYR 32 -2.934 0.706 -9.106 232 H CYS 33 H CYS 33 -0.588 2.699 -0.629 233 HA CYS 33 HA CYS 33 -2.735 2.798 1.366 234 HB2 CYS 33 HB2 CYS 33 -0.484 0.806 1.300 235 HB3 CYS 33 HB1 CYS 33 -1.780 0.899 2.489 236 HA PRO 34 HA PRO 34 1.019 5.443 2.418 237 HB2 PRO 34 HB2 PRO 34 -0.366 7.713 3.025 238 HB3 PRO 34 HB1 PRO 34 0.252 7.341 1.412 239 HG2 PRO 34 HG2 PRO 34 -2.509 6.986 2.509 240 HG3 PRO 34 HG1 PRO 34 -2.003 7.595 0.926 241 HD2 PRO 34 HD2 PRO 34 -2.873 5.080 1.283 242 HD3 PRO 34 HD1 PRO 34 -1.625 5.487 0.089 243 H VAL 35 H VAL 35 -2.100 4.916 3.852 244 HA VAL 35 HA VAL 35 -1.226 5.855 6.427 245 HB VAL 35 HB VAL 35 -3.932 4.807 5.590 246 HG11 VAL 35 HG11 VAL 35 -3.053 6.237 8.098 247 HG12 VAL 35 HG12 VAL 35 -3.539 4.545 7.987 248 HG13 VAL 35 3HG1 VAL 35 -4.721 5.825 7.688 249 HG21 VAL 35 HG21 VAL 35 -2.905 7.599 5.992 250 HG22 VAL 35 HG22 VAL 35 -4.571 7.168 5.574 251 HG23 VAL 35 HG23 VAL 35 -3.234 6.826 4.451 252 H THR 36 H THR 36 -2.461 2.850 5.010 253 HA THR 36 HA THR 36 -2.268 1.292 7.320 254 HB THR 36 HB THR 36 -2.091 0.432 4.425 255 HG1 THR 36 HG1 THR 36 -4.057 1.502 5.300 256 HG21 THR 36 HG21 THR 36 -2.732 -1.829 5.198 257 HG22 THR 36 HG22 THR 36 -2.637 -1.285 6.871 258 HG23 THR 36 HG23 THR 36 -1.181 -1.346 5.879 259 H CYS 37 H CYS 37 0.280 1.959 4.906 260 HA CYS 37 HA CYS 37 2.054 0.174 6.274 261 HB2 CYS 37 HB2 CYS 37 2.574 2.214 4.132 262 HB3 CYS 37 HB1 CYS 37 3.834 1.204 4.827 263 H GLY 38 H GLY 38 1.163 3.451 6.714 264 HA2 GLY 38 HA2 GLY 38 1.661 4.607 8.698 265 HA3 GLY 38 HA1 GLY 38 3.061 3.575 8.921 266 H PHE 39 H PHE 39 2.211 5.416 6.035 267 HA PHE 39 HA PHE 39 4.714 6.940 6.286 268 HB2 PHE 39 HB2 PHE 39 2.662 6.912 4.060 269 HB3 PHE 39 HB1 PHE 39 4.203 7.739 4.026 270 HD1 PHE 39 HD1 PHE 39 6.290 6.345 3.997 271 HD2 PHE 39 HD2 PHE 39 2.428 4.725 3.355 272 HE1 PHE 39 HE1 PHE 39 7.306 4.418 2.866 273 HE2 PHE 39 HE2 PHE 39 3.432 2.774 2.220 274 HZ PHE 39 HZ PHE 39 5.872 2.621 1.975 275 HA CYS 40 HA CYS 40 1.276 10.055 6.536 276 HB2 CYS 40 HB2 CYS 40 0.161 9.079 4.532 277 HB3 CYS 40 HB1 CYS 40 -0.889 8.184 5.616 278 HN1 NH2 41 H1 CYS 40 1.461 10.104 8.754 279 HN2 NH2 41 H2 CYS 40 0.371 9.332 9.846 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 -4.670 15.314 -1.248 2 H2 GLU 1 HT2 GLU 1 -3.655 14.065 -1.705 3 H3 GLU 1 HT3 GLU 1 -3.233 15.659 -2.057 4 HA GLU 1 HA GLU 1 -1.899 14.885 -0.281 5 HB2 GLU 1 HB2 GLU 1 -2.354 16.575 1.362 6 HB3 GLU 1 HB1 GLU 1 -2.709 17.251 -0.227 7 HG2 GLU 1 HG2 GLU 1 -5.067 16.962 0.137 8 HG3 GLU 1 HG1 GLU 1 -4.737 16.078 1.628 9 H HIS 2 H HIS 2 -5.349 14.134 0.083 10 HA HIS 2 HA HIS 2 -5.372 13.608 2.812 11 HB2 HIS 2 HB2 HIS 2 -7.171 12.646 0.594 12 HB3 HIS 2 HB1 HIS 2 -7.447 12.273 2.287 13 HD1 HIS 2 HD1 HIS 2 -9.145 13.827 3.316 14 HD2 HIS 2 HD2 HIS 2 -6.958 15.675 0.303 15 HE1 HIS 2 HE1 HIS 2 -10.132 16.103 3.029 16 H CYS 3 H CYS 3 -4.291 12.274 3.760 17 HA CYS 3 HA CYS 3 -3.230 9.921 2.489 18 HB2 CYS 3 HB2 CYS 3 -2.020 11.363 4.148 19 HB3 CYS 3 HB1 CYS 3 -3.096 10.657 5.368 20 H ALA 4 H ALA 4 -4.762 8.597 2.087 21 HA ALA 4 HA ALA 4 -5.995 7.079 4.232 22 HB1 ALA 4 HB1 ALA 4 -7.689 8.804 3.770 23 HB2 ALA 4 HB2 ALA 4 -8.253 7.215 3.251 24 HB3 ALA 4 HB3 ALA 4 -7.664 8.374 2.059 25 H ASP 5 H ASP 5 -6.106 4.985 3.694 26 HA ASP 5 HA ASP 5 -4.861 4.016 1.320 27 HB2 ASP 5 HB2 ASP 5 -6.618 2.453 3.226 28 HB3 ASP 5 HB1 ASP 5 -5.508 1.780 2.048 29 H GLU 6 H GLU 6 -5.647 3.103 -0.491 30 HA GLU 6 HA GLU 6 -8.149 3.914 -1.501 31 HB2 GLU 6 HB2 GLU 6 -6.230 3.622 -2.943 32 HB3 GLU 6 HB1 GLU 6 -6.047 1.955 -2.441 33 HG2 GLU 6 HG2 GLU 6 -6.931 2.159 -4.702 34 HG3 GLU 6 HG1 GLU 6 -8.058 1.343 -3.623 35 H LYS 7 H LYS 7 -10.040 2.732 -1.805 36 HA LYS 7 HA LYS 7 -10.410 0.530 -0.003 37 HB2 LYS 7 HB2 LYS 7 -12.783 0.805 -0.624 38 HB3 LYS 7 HB1 LYS 7 -12.049 2.246 0.068 39 HG2 LYS 7 HG2 LYS 7 -11.749 3.108 -2.264 40 HG3 LYS 7 HG1 LYS 7 -12.679 1.723 -2.829 41 HD2 LYS 7 HD2 LYS 7 -13.602 3.743 -0.840 42 HD3 LYS 7 HD1 LYS 7 -14.041 3.768 -2.557 43 HE2 LYS 7 HE2 LYS 7 -15.043 1.544 -2.266 44 HE3 LYS 7 HE1 LYS 7 -14.635 1.619 -0.553 45 HZ1 LYS 7 HZ1 LYS 7 -16.931 2.236 -0.908 46 HZ2 LYS 7 HZ2 LYS 7 -16.469 3.454 -1.988 47 HZ3 LYS 7 HZ3 LYS 7 -16.062 3.582 -0.367 48 H ASN 8 H ASN 8 -9.962 1.118 -3.265 49 HA ASN 8 HA ASN 8 -11.089 -1.394 -4.271 50 HB2 ASN 8 HB2 ASN 8 -9.585 0.829 -5.661 51 HB3 ASN 8 HB1 ASN 8 -10.194 -0.605 -6.480 52 HD21 ASN 8 HD21 ASN 8 -11.038 2.369 -4.878 53 HD22 ASN 8 HD22 ASN 8 -12.666 2.413 -5.410 54 H PHE 9 H PHE 9 -8.664 -1.036 -2.478 55 HA PHE 9 HA PHE 9 -6.907 -2.951 -3.819 56 HB2 PHE 9 HB2 PHE 9 -6.217 -0.427 -3.936 57 HB3 PHE 9 HB1 PHE 9 -5.868 -0.646 -2.224 58 HD1 PHE 9 HD1 PHE 9 -5.131 -1.838 -5.583 59 HD2 PHE 9 HD2 PHE 9 -3.930 -1.768 -1.528 60 HE1 PHE 9 HE1 PHE 9 -3.025 -2.793 -6.224 61 HE2 PHE 9 HE2 PHE 9 -1.771 -2.735 -2.152 62 HZ PHE 9 HZ PHE 9 -1.281 -3.229 -4.495 63 H ASP 10 H ASP 10 -6.471 -4.517 -2.240 64 HA ASP 10 HA ASP 10 -7.552 -3.904 0.405 65 HB2 ASP 10 HB2 ASP 10 -8.055 -6.118 -0.779 66 HB3 ASP 10 HB1 ASP 10 -6.394 -6.568 -0.412 67 H CYS 11 H CYS 11 -6.154 -2.667 1.411 68 HA CYS 11 HA CYS 11 -3.375 -2.890 1.110 69 HB2 CYS 11 HB2 CYS 11 -4.915 -1.407 3.239 70 HB3 CYS 11 HB1 CYS 11 -3.235 -1.171 2.794 71 H ARG 12 H ARG 12 -5.600 -4.302 3.385 72 HA ARG 12 HA ARG 12 -3.604 -5.000 5.296 73 HB2 ARG 12 HB2 ARG 12 -6.333 -6.204 4.834 74 HB3 ARG 12 HB1 ARG 12 -5.300 -6.553 6.213 75 HG2 ARG 12 HG2 ARG 12 -6.516 -3.892 5.515 76 HG3 ARG 12 HG1 ARG 12 -7.019 -4.993 6.798 77 HD2 ARG 12 HD2 ARG 12 -4.843 -4.690 7.914 78 HD3 ARG 12 HD1 ARG 12 -4.314 -3.641 6.604 79 HE ARG 12 HE ARG 12 -6.701 -2.844 8.025 80 HH11 ARG 12 HH11 ARG 12 -3.220 -2.404 7.631 81 HH12 ARG 12 HH12 ARG 12 -3.182 -0.888 8.419 82 HH21 ARG 12 HH21 ARG 12 -6.625 -0.782 9.121 83 HH22 ARG 12 HH22 ARG 12 -5.140 0.047 9.263 84 H ARG 13 H ARG 13 -5.228 -6.769 2.739 85 HA ARG 13 HA ARG 13 -3.815 -9.179 2.919 86 HB2 ARG 13 HB2 ARG 13 -5.807 -8.829 1.485 87 HB3 ARG 13 HB1 ARG 13 -4.850 -7.805 0.436 88 HG2 ARG 13 HG2 ARG 13 -3.471 -9.693 -0.198 89 HG3 ARG 13 HG1 ARG 13 -4.371 -10.738 0.903 90 HD2 ARG 13 HD2 ARG 13 -5.175 -11.015 -1.381 91 HD3 ARG 13 HD1 ARG 13 -6.421 -10.298 -0.362 92 HE ARG 13 HE ARG 13 -4.764 -8.465 -1.884 93 HH11 ARG 13 HH11 ARG 13 -7.881 -10.169 -1.709 94 HH12 ARG 13 HH12 ARG 13 -8.650 -9.116 -2.810 95 HH21 ARG 13 HH21 ARG 13 -5.865 -7.067 -3.419 96 HH22 ARG 13 HH22 ARG 13 -7.507 -7.355 -3.779 97 H SER 14 H SER 14 -3.049 -6.221 1.173 98 HA SER 14 HA SER 14 -0.702 -7.139 -0.073 99 HB2 SER 14 HB2 SER 14 -1.450 -4.327 0.747 100 HB3 SER 14 HB1 SER 14 -0.246 -4.756 -0.467 101 HG SER 14 HG SER 14 -3.032 -4.904 -0.565 102 H LEU 15 H LEU 15 -1.318 -5.808 3.114 103 HA LEU 15 HA LEU 15 1.423 -5.463 3.777 104 HB2 LEU 15 HB2 LEU 15 -0.493 -4.220 4.821 105 HB3 LEU 15 HB1 LEU 15 -0.942 -5.702 5.636 106 HG LEU 15 HG LEU 15 1.246 -5.676 6.813 107 HD11 LEU 15 HD11 LEU 15 2.511 -4.404 5.182 108 HD12 LEU 15 HD12 LEU 15 2.585 -3.628 6.765 109 HD13 LEU 15 HD13 LEU 15 1.536 -2.974 5.506 110 HD21 LEU 15 HD21 LEU 15 0.688 -3.849 8.330 111 HD22 LEU 15 HD22 LEU 15 -0.761 -4.745 7.860 112 HD23 LEU 15 HD23 LEU 15 -0.410 -3.178 7.125 113 H ARG 16 H ARG 16 -1.027 -7.896 4.367 114 HA ARG 16 HA ARG 16 0.454 -9.634 6.004 115 HB2 ARG 16 HB2 ARG 16 -1.893 -10.155 4.172 116 HB3 ARG 16 HB1 ARG 16 -1.264 -11.333 5.316 117 HG2 ARG 16 HG2 ARG 16 -1.865 -9.965 7.178 118 HG3 ARG 16 HG1 ARG 16 -2.237 -8.605 6.123 119 HD2 ARG 16 HD2 ARG 16 -4.268 -9.675 6.925 120 HD3 ARG 16 HD1 ARG 16 -4.119 -9.844 5.180 121 HE ARG 16 HE ARG 16 -3.022 -12.099 6.429 122 HH11 ARG 16 HH11 ARG 16 -6.200 -10.592 5.979 123 HH12 ARG 16 HH12 ARG 16 -7.065 -12.051 5.961 124 HH21 ARG 16 HH21 ARG 16 -4.170 -14.089 6.442 125 HH22 ARG 16 HH22 ARG 16 -5.878 -14.123 6.243 126 H ASN 17 H ASN 17 0.323 -9.298 2.536 127 HA ASN 17 HA ASN 17 1.823 -11.741 2.115 128 HB2 ASN 17 HB2 ASN 17 0.742 -9.685 0.225 129 HB3 ASN 17 HB1 ASN 17 1.906 -10.883 -0.319 130 HD21 ASN 17 HD21 ASN 17 -1.288 -10.365 0.895 131 HD22 ASN 17 HD22 ASN 17 -1.938 -11.894 0.445 132 H GLY 18 H GLY 18 2.497 -8.270 1.913 133 HA2 GLY 18 HA2 GLY 18 4.880 -7.881 2.749 134 HA3 GLY 18 HA1 GLY 18 5.317 -9.024 1.500 135 H ASP 19 H ASP 19 2.819 -7.458 0.204 136 HA ASP 19 HA ASP 19 4.297 -6.135 -1.806 137 HB2 ASP 19 HB2 ASP 19 1.417 -5.800 -0.962 138 HB3 ASP 19 HB1 ASP 19 2.099 -5.112 -2.426 139 H CYS 20 H CYS 20 2.797 -5.079 1.110 140 HA CYS 20 HA CYS 20 2.954 -2.272 0.537 141 HB2 CYS 20 HB2 CYS 20 1.116 -3.301 1.805 142 HB3 CYS 20 HB1 CYS 20 2.260 -3.792 3.036 143 H ASP 21 H ASP 21 5.180 -4.534 1.687 144 HA ASP 21 HA ASP 21 6.719 -2.434 3.086 145 HB2 ASP 21 HB2 ASP 21 6.061 -4.283 4.532 146 HB3 ASP 21 HB1 ASP 21 6.788 -5.436 3.423 147 H ASN 22 H ASN 22 6.511 -4.096 0.290 148 HA ASN 22 HA ASN 22 9.299 -4.678 -0.161 149 HB2 ASN 22 HB2 ASN 22 7.390 -5.987 -1.168 150 HB3 ASN 22 HB1 ASN 22 7.054 -4.589 -2.181 151 HD21 ASN 22 HD21 ASN 22 9.143 -7.224 -1.579 152 HD22 ASN 22 HD22 ASN 22 10.085 -7.125 -3.014 153 H ASP 23 H ASP 23 10.706 -3.163 -0.630 154 HA ASP 23 HA ASP 23 10.194 -0.454 -0.957 155 HB2 ASP 23 HB2 ASP 23 12.332 -1.319 -0.205 156 HB3 ASP 23 HB1 ASP 23 12.646 -1.997 -1.798 157 H ASP 24 H ASP 24 10.702 -2.900 -3.385 158 HA ASP 24 HA ASP 24 10.927 -1.054 -5.552 159 HB2 ASP 24 HB2 ASP 24 10.605 -4.029 -5.461 160 HB3 ASP 24 HB1 ASP 24 10.550 -3.150 -6.981 161 H LYS 25 H LYS 25 8.244 -2.206 -3.855 162 HA LYS 25 HA LYS 25 6.503 -1.514 -6.124 163 HB2 LYS 25 HB2 LYS 25 5.769 -3.044 -3.640 164 HB3 LYS 25 HB1 LYS 25 4.819 -2.875 -5.114 165 HG2 LYS 25 HG2 LYS 25 6.449 -4.137 -6.357 166 HG3 LYS 25 HG1 LYS 25 7.484 -4.240 -4.936 167 HD2 LYS 25 HD2 LYS 25 6.424 -6.279 -4.976 168 HD3 LYS 25 HD1 LYS 25 5.526 -5.294 -3.812 169 HE2 LYS 25 HE2 LYS 25 3.755 -4.888 -5.339 170 HE3 LYS 25 HE1 LYS 25 4.671 -5.543 -6.691 171 HZ1 LYS 25 HZ1 LYS 25 4.541 -7.736 -5.537 172 HZ2 LYS 25 HZ2 LYS 25 3.084 -7.136 -6.075 173 HZ3 LYS 25 HZ3 LYS 25 3.434 -7.067 -4.446 174 H LEU 26 H LEU 26 7.785 -0.292 -3.438 175 HA LEU 26 HA LEU 26 5.686 0.800 -2.005 176 HB2 LEU 26 HB2 LEU 26 8.490 1.780 -2.225 177 HB3 LEU 26 HB1 LEU 26 7.297 2.619 -1.255 178 HG LEU 26 HG LEU 26 8.230 -0.219 -0.863 179 HD11 LEU 26 HD11 LEU 26 9.856 1.491 -0.200 180 HD12 LEU 26 HD12 LEU 26 9.187 0.651 1.201 181 HD13 LEU 26 HD13 LEU 26 8.622 2.269 0.790 182 HD21 LEU 26 HD21 LEU 26 5.891 -0.045 -0.246 183 HD22 LEU 26 HD22 LEU 26 6.215 1.421 0.671 184 HD23 LEU 26 HD23 LEU 26 6.880 -0.120 1.213 185 H LEU 27 H LEU 27 7.061 2.222 -4.980 186 HA LEU 27 HA LEU 27 5.966 4.734 -4.757 187 HB2 LEU 27 HB2 LEU 27 7.565 3.616 -6.453 188 HB3 LEU 27 HB1 LEU 27 6.108 3.059 -7.227 189 HG LEU 27 HG LEU 27 7.250 4.927 -8.204 190 HD11 LEU 27 HD11 LEU 27 5.183 6.251 -8.713 191 HD12 LEU 27 HD12 LEU 27 4.403 5.485 -7.331 192 HD13 LEU 27 HD13 LEU 27 4.873 4.512 -8.727 193 HD21 LEU 27 HD21 LEU 27 6.941 7.195 -7.294 194 HD22 LEU 27 HD22 LEU 27 7.911 6.156 -6.243 195 HD23 LEU 27 HD23 LEU 27 6.223 6.483 -5.854 196 H GLU 28 H GLU 28 4.753 1.744 -6.136 197 HA GLU 28 HA GLU 28 2.191 2.668 -6.833 198 HB2 GLU 28 HB2 GLU 28 3.266 0.714 -7.845 199 HB3 GLU 28 HB1 GLU 28 3.205 -0.126 -6.308 200 HG2 GLU 28 HG2 GLU 28 0.815 -0.217 -6.401 201 HG3 GLU 28 HG1 GLU 28 0.795 0.780 -7.858 202 H MET 29 H MET 29 3.569 1.403 -3.903 203 HA MET 29 HA MET 29 1.009 0.802 -2.750 204 HB2 MET 29 HB2 MET 29 3.778 0.708 -1.601 205 HB3 MET 29 HB1 MET 29 2.343 0.322 -0.677 206 HG2 MET 29 HG2 MET 29 3.376 -1.109 -3.109 207 HG3 MET 29 HG1 MET 29 3.335 -1.718 -1.456 208 HE1 MET 29 HE1 MET 29 -0.629 -1.798 -0.901 209 HE2 MET 29 HE2 MET 29 0.388 -0.370 -0.765 210 HE3 MET 29 3HE MET 29 0.948 -1.905 -0.111 211 H GLY 30 H GLY 30 2.991 3.481 -2.976 212 HA2 GLY 30 HA2 GLY 30 2.100 4.686 -0.537 213 HA3 GLY 30 HA1 GLY 30 3.002 5.540 -1.757 214 H TYR 31 H TYR 31 1.188 4.986 -3.929 215 HA TYR 31 HA TYR 31 -0.826 6.825 -3.126 216 HB2 TYR 31 HB2 TYR 31 -1.685 6.722 -5.489 217 HB3 TYR 31 HB1 TYR 31 -0.049 7.319 -5.222 218 HD1 TYR 31 HD1 TYR 31 -1.971 4.370 -6.353 219 HD2 TYR 31 HD2 TYR 31 1.732 6.428 -6.372 220 HE1 TYR 31 HE1 TYR 31 -1.166 2.884 -8.092 221 HE2 TYR 31 HE2 TYR 31 2.574 4.952 -8.089 222 HH TYR 31 HH TYR 31 0.482 2.743 -9.766 223 H TYR 32 H TYR 32 -0.688 3.532 -3.747 224 HA TYR 32 HA TYR 32 -3.499 3.217 -3.474 225 HB2 TYR 32 HB2 TYR 32 -1.301 1.200 -3.660 226 HB3 TYR 32 HB1 TYR 32 -2.835 0.676 -3.000 227 HD1 TYR 32 HD1 TYR 32 -1.048 0.798 -5.927 228 HD2 TYR 32 HD2 TYR 32 -4.893 1.728 -4.399 229 HE1 TYR 32 HE1 TYR 32 -2.008 0.558 -8.183 230 HE2 TYR 32 HE2 TYR 32 -5.860 1.492 -6.632 231 HH TYR 32 HH TYR 32 -5.135 1.635 -8.904 232 H CYS 33 H CYS 33 -0.894 2.569 -1.077 233 HA CYS 33 HA CYS 33 -3.020 2.872 0.892 234 HB2 CYS 33 HB2 CYS 33 -0.933 0.700 1.025 235 HB3 CYS 33 HB1 CYS 33 -2.288 0.965 2.120 236 HA PRO 34 HA PRO 34 0.731 5.428 1.892 237 HB2 PRO 34 HB2 PRO 34 -0.636 7.621 2.735 238 HB3 PRO 34 HB1 PRO 34 -0.231 7.332 1.037 239 HG2 PRO 34 HG2 PRO 34 -2.786 6.761 2.491 240 HG3 PRO 34 HG1 PRO 34 -2.565 7.542 0.921 241 HD2 PRO 34 HD2 PRO 34 -3.251 4.982 1.106 242 HD3 PRO 34 HD1 PRO 34 -2.134 5.532 -0.160 243 H VAL 35 H VAL 35 -2.161 4.598 3.595 244 HA VAL 35 HA VAL 35 -1.086 5.464 6.118 245 HB VAL 35 HB VAL 35 -3.700 4.044 5.578 246 HG11 VAL 35 HG11 VAL 35 -4.324 4.803 7.830 247 HG12 VAL 35 HG12 VAL 35 -2.706 5.480 8.040 248 HG13 VAL 35 3HG1 VAL 35 -2.915 3.737 7.877 249 HG21 VAL 35 HG21 VAL 35 -3.063 6.947 6.029 250 HG22 VAL 35 HG22 VAL 35 -4.689 6.268 5.835 251 HG23 VAL 35 HG23 VAL 35 -3.521 6.206 4.503 252 H THR 36 H THR 36 -2.152 2.437 4.644 253 HA THR 36 HA THR 36 -1.372 0.757 6.752 254 HB THR 36 HB THR 36 -1.621 0.061 3.821 255 HG1 THR 36 HG1 THR 36 -3.505 1.036 4.925 256 HG21 THR 36 HG21 THR 36 -0.474 -1.684 5.127 257 HG22 THR 36 HG22 THR 36 -2.082 -2.213 4.631 258 HG23 THR 36 HG23 THR 36 -1.802 -1.680 6.288 259 H CYS 37 H CYS 37 0.442 1.876 3.934 260 HA CYS 37 HA CYS 37 2.681 0.249 4.655 261 HB2 CYS 37 HB2 CYS 37 2.312 2.278 2.470 262 HB3 CYS 37 HB1 CYS 37 3.780 1.310 2.670 263 H GLY 38 H GLY 38 1.570 2.870 6.078 264 HA2 GLY 38 HA2 GLY 38 2.482 4.092 7.755 265 HA3 GLY 38 HA1 GLY 38 3.967 3.198 7.521 266 H PHE 39 H PHE 39 2.282 5.418 5.302 267 HA PHE 39 HA PHE 39 4.746 6.934 5.172 268 HB2 PHE 39 HB2 PHE 39 2.127 7.221 3.672 269 HB3 PHE 39 HB1 PHE 39 3.476 8.334 3.472 270 HD1 PHE 39 HD1 PHE 39 5.431 7.703 2.243 271 HD2 PHE 39 HD2 PHE 39 2.288 4.915 2.875 272 HE1 PHE 39 HE1 PHE 39 6.423 6.228 0.553 273 HE2 PHE 39 HE2 PHE 39 3.287 3.423 1.166 274 HZ PHE 39 HZ PHE 39 5.348 4.081 0.014 275 HA CYS 40 HA CYS 40 2.261 9.713 7.722 276 HB2 CYS 40 HB2 CYS 40 -0.544 8.711 7.234 277 HB3 CYS 40 HB1 CYS 40 -0.046 10.328 7.718 278 HN1 NH2 41 H1 CYS 40 3.298 8.159 9.269 279 HN2 NH2 41 H2 CYS 40 2.314 7.457 10.503 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 -5.226 16.740 -2.234 2 H2 GLU 1 HT2 GLU 1 -5.724 16.648 -0.634 3 H3 GLU 1 HT3 GLU 1 -5.949 15.331 -1.674 4 HA GLU 1 HA GLU 1 -3.587 15.025 -1.895 5 HB2 GLU 1 HB2 GLU 1 -2.009 16.302 -0.647 6 HB3 GLU 1 HB1 GLU 1 -3.026 17.453 -1.501 7 HG2 GLU 1 HG2 GLU 1 -4.274 17.903 0.533 8 HG3 GLU 1 HG1 GLU 1 -3.352 16.648 1.366 9 H HIS 2 H HIS 2 -6.092 14.781 0.258 10 HA HIS 2 HA HIS 2 -4.778 13.993 2.603 11 HB2 HIS 2 HB2 HIS 2 -7.162 14.656 2.551 12 HB3 HIS 2 HB1 HIS 2 -7.530 13.261 1.549 13 HD1 HIS 2 HD1 HIS 2 -8.655 11.471 2.917 14 HD2 HIS 2 HD2 HIS 2 -5.866 13.619 5.134 15 HE1 HIS 2 HE1 HIS 2 -8.740 10.538 5.237 16 H CYS 3 H CYS 3 -3.419 12.442 2.629 17 HA CYS 3 HA CYS 3 -3.684 10.208 0.825 18 HB2 CYS 3 HB2 CYS 3 -1.491 9.452 1.722 19 HB3 CYS 3 HB1 CYS 3 -1.450 11.094 1.102 20 H ALA 4 H ALA 4 -5.011 8.652 1.269 21 HA ALA 4 HA ALA 4 -4.932 7.392 3.876 22 HB1 ALA 4 HB1 ALA 4 -7.468 8.248 2.481 23 HB2 ALA 4 HB2 ALA 4 -6.835 8.940 3.975 24 HB3 ALA 4 HB3 ALA 4 -7.384 7.262 3.941 25 H ASP 5 H ASP 5 -5.768 5.232 3.754 26 HA ASP 5 HA ASP 5 -4.789 3.812 1.532 27 HB2 ASP 5 HB2 ASP 5 -6.799 2.792 3.525 28 HB3 ASP 5 HB1 ASP 5 -5.736 1.829 2.515 29 H GLU 6 H GLU 6 -5.679 3.017 -0.277 30 HA GLU 6 HA GLU 6 -8.143 4.018 -1.168 31 HB2 GLU 6 HB2 GLU 6 -6.276 3.526 -2.673 32 HB3 GLU 6 HB1 GLU 6 -6.360 1.829 -2.242 33 HG2 GLU 6 HG2 GLU 6 -7.343 2.283 -4.406 34 HG3 GLU 6 HG1 GLU 6 -8.525 1.636 -3.264 35 H LYS 7 H LYS 7 -10.080 3.198 -0.956 36 HA LYS 7 HA LYS 7 -10.421 0.784 0.599 37 HB2 LYS 7 HB2 LYS 7 -12.767 1.422 0.723 38 HB3 LYS 7 HB1 LYS 7 -11.700 2.727 1.214 39 HG2 LYS 7 HG2 LYS 7 -11.985 3.721 -1.047 40 HG3 LYS 7 HG1 LYS 7 -13.178 2.469 -1.390 41 HD2 LYS 7 HD2 LYS 7 -14.404 4.357 -0.668 42 HD3 LYS 7 HD1 LYS 7 -14.358 3.187 0.662 43 HE2 LYS 7 HE2 LYS 7 -12.598 4.439 1.772 44 HE3 LYS 7 HE1 LYS 7 -12.536 5.581 0.431 45 HZ1 LYS 7 HZ1 LYS 7 -14.815 5.154 2.276 46 HZ2 LYS 7 HZ2 LYS 7 -14.825 6.222 0.972 47 HZ3 LYS 7 HZ3 LYS 7 -13.791 6.489 2.257 48 H ASN 8 H ASN 8 -10.337 1.662 -2.599 49 HA ASN 8 HA ASN 8 -11.941 -0.610 -3.535 50 HB2 ASN 8 HB2 ASN 8 -10.333 1.428 -5.116 51 HB3 ASN 8 HB1 ASN 8 -11.347 0.183 -5.823 52 HD21 ASN 8 HD21 ASN 8 -13.467 0.604 -3.737 53 HD22 ASN 8 HD22 ASN 8 -14.232 2.074 -4.200 54 H PHE 9 H PHE 9 -9.343 -0.658 -2.013 55 HA PHE 9 HA PHE 9 -7.844 -2.570 -3.675 56 HB2 PHE 9 HB2 PHE 9 -6.909 -0.167 -3.548 57 HB3 PHE 9 HB1 PHE 9 -6.612 -0.521 -1.851 58 HD1 PHE 9 HD1 PHE 9 -5.966 -1.709 -5.248 59 HD2 PHE 9 HD2 PHE 9 -4.671 -1.628 -1.224 60 HE1 PHE 9 HE1 PHE 9 -3.923 -2.755 -5.920 61 HE2 PHE 9 HE2 PHE 9 -2.565 -2.690 -1.873 62 HZ PHE 9 HZ PHE 9 -2.154 -3.256 -4.228 63 H ASP 10 H ASP 10 -6.818 -4.160 -2.233 64 HA ASP 10 HA ASP 10 -7.888 -4.067 0.506 65 HB2 ASP 10 HB2 ASP 10 -8.279 -6.158 -0.963 66 HB3 ASP 10 HB1 ASP 10 -6.566 -6.491 -0.727 67 H CYS 11 H CYS 11 -6.502 -2.854 1.572 68 HA CYS 11 HA CYS 11 -3.734 -2.749 1.047 69 HB2 CYS 11 HB2 CYS 11 -5.329 -1.720 3.388 70 HB3 CYS 11 HB1 CYS 11 -3.652 -1.308 3.036 71 H ARG 12 H ARG 12 -5.687 -4.592 3.250 72 HA ARG 12 HA ARG 12 -3.596 -5.383 4.995 73 HB2 ARG 12 HB2 ARG 12 -6.177 -6.755 4.322 74 HB3 ARG 12 HB1 ARG 12 -5.086 -7.249 5.603 75 HG2 ARG 12 HG2 ARG 12 -6.612 -4.666 5.427 76 HG3 ARG 12 HG1 ARG 12 -6.943 -6.044 6.481 77 HD2 ARG 12 HD2 ARG 12 -4.544 -4.213 6.539 78 HD3 ARG 12 HD1 ARG 12 -5.813 -4.328 7.749 79 HE ARG 12 HE ARG 12 -4.747 -6.841 7.610 80 HH11 ARG 12 HH11 ARG 12 -3.639 -3.600 8.469 81 HH12 ARG 12 HH12 ARG 12 -2.304 -4.113 9.372 82 HH21 ARG 12 HH21 ARG 12 -2.854 -7.591 8.861 83 HH22 ARG 12 HH22 ARG 12 -1.831 -6.436 9.566 84 H ARG 13 H ARG 13 -5.049 -6.811 2.154 85 HA ARG 13 HA ARG 13 -3.589 -9.179 2.074 86 HB2 ARG 13 HB2 ARG 13 -5.550 -8.666 0.623 87 HB3 ARG 13 HB1 ARG 13 -4.528 -7.595 -0.321 88 HG2 ARG 13 HG2 ARG 13 -3.108 -9.490 -0.927 89 HG3 ARG 13 HG1 ARG 13 -4.145 -10.554 0.016 90 HD2 ARG 13 HD2 ARG 13 -4.715 -10.707 -2.339 91 HD3 ARG 13 HD1 ARG 13 -6.045 -9.977 -1.440 92 HE ARG 13 HE ARG 13 -4.324 -8.003 -2.468 93 HH11 ARG 13 HH11 ARG 13 -6.847 -10.256 -3.557 94 HH12 ARG 13 HH12 ARG 13 -7.315 -9.255 -4.857 95 HH21 ARG 13 HH21 ARG 13 -4.979 -6.714 -4.241 96 HH22 ARG 13 HH22 ARG 13 -6.253 -7.247 -5.251 97 H SER 14 H SER 14 -2.790 -6.045 0.551 98 HA SER 14 HA SER 14 -0.343 -6.962 -0.491 99 HB2 SER 14 HB2 SER 14 -1.248 -4.157 0.152 100 HB3 SER 14 HB1 SER 14 0.173 -4.564 -0.815 101 HG SER 14 HG SER 14 -1.090 -5.446 -2.340 102 H LEU 15 H LEU 15 -1.192 -5.761 2.671 103 HA LEU 15 HA LEU 15 1.501 -5.361 3.493 104 HB2 LEU 15 HB2 LEU 15 -0.409 -4.232 4.569 105 HB3 LEU 15 HB1 LEU 15 -0.984 -5.775 5.151 106 HG LEU 15 HG LEU 15 0.967 -6.001 6.601 107 HD11 LEU 15 HD11 LEU 15 2.600 -4.829 5.219 108 HD12 LEU 15 HD12 LEU 15 2.561 -4.158 6.848 109 HD13 LEU 15 HD13 LEU 15 1.775 -3.300 5.521 110 HD21 LEU 15 HD21 LEU 15 -0.375 -3.319 6.847 111 HD22 LEU 15 HD22 LEU 15 0.469 -4.167 8.138 112 HD23 LEU 15 HD23 LEU 15 -1.005 -4.851 7.450 113 H ARG 16 H ARG 16 -0.840 -7.949 3.884 114 HA ARG 16 HA ARG 16 0.851 -9.639 5.387 115 HB2 ARG 16 HB2 ARG 16 -1.516 -10.362 3.659 116 HB3 ARG 16 HB1 ARG 16 -0.741 -11.440 4.811 117 HG2 ARG 16 HG2 ARG 16 -1.326 -9.865 6.621 118 HG3 ARG 16 HG1 ARG 16 -2.174 -8.871 5.441 119 HD2 ARG 16 HD2 ARG 16 -2.814 -11.739 6.104 120 HD3 ARG 16 HD1 ARG 16 -3.698 -10.336 6.682 121 HE ARG 16 HE ARG 16 -4.242 -9.889 4.309 122 HH11 ARG 16 HH11 ARG 16 -3.358 -13.197 5.265 123 HH12 ARG 16 HH12 ARG 16 -4.309 -13.948 4.084 124 HH21 ARG 16 HH21 ARG 16 -5.574 -10.944 2.669 125 HH22 ARG 16 HH22 ARG 16 -5.592 -12.643 2.577 126 H ASN 17 H ASN 17 0.358 -9.257 1.952 127 HA ASN 17 HA ASN 17 2.006 -11.462 1.153 128 HB2 ASN 17 HB2 ASN 17 0.931 -9.072 -0.259 129 HB3 ASN 17 HB1 ASN 17 2.245 -9.969 -1.001 130 HD21 ASN 17 HD21 ASN 17 -1.026 -10.045 0.014 131 HD22 ASN 17 HD22 ASN 17 -1.494 -11.451 -0.883 132 H GLY 18 H GLY 18 2.600 -8.191 1.987 133 HA2 GLY 18 HA2 GLY 18 4.737 -7.595 2.911 134 HA3 GLY 18 HA1 GLY 18 5.472 -8.772 1.830 135 H ASP 19 H ASP 19 3.237 -7.274 0.013 136 HA ASP 19 HA ASP 19 5.113 -5.874 -1.603 137 HB2 ASP 19 HB2 ASP 19 2.100 -5.571 -1.505 138 HB3 ASP 19 HB1 ASP 19 3.138 -4.915 -2.761 139 H CYS 20 H CYS 20 3.042 -4.989 0.930 140 HA CYS 20 HA CYS 20 3.121 -2.168 0.784 141 HB2 CYS 20 HB2 CYS 20 1.526 -3.632 2.060 142 HB3 CYS 20 HB1 CYS 20 2.834 -3.924 3.194 143 H ASP 21 H ASP 21 5.482 -4.499 1.919 144 HA ASP 21 HA ASP 21 7.050 -2.308 3.106 145 HB2 ASP 21 HB2 ASP 21 6.430 -4.067 4.744 146 HB3 ASP 21 HB1 ASP 21 7.198 -5.274 3.725 147 H ASN 22 H ASN 22 6.798 -4.145 0.423 148 HA ASN 22 HA ASN 22 9.563 -4.779 0.005 149 HB2 ASN 22 HB2 ASN 22 7.847 -6.193 -1.022 150 HB3 ASN 22 HB1 ASN 22 7.216 -4.814 -1.911 151 HD21 ASN 22 HD21 ASN 22 9.786 -7.120 -1.683 152 HD22 ASN 22 HD22 ASN 22 10.493 -6.791 -3.228 153 H ASP 23 H ASP 23 11.051 -3.499 -0.856 154 HA ASP 23 HA ASP 23 10.622 -0.755 -1.106 155 HB2 ASP 23 HB2 ASP 23 12.950 -2.468 -1.853 156 HB3 ASP 23 HB1 ASP 23 12.933 -0.756 -2.266 157 H ASP 24 H ASP 24 10.798 -3.145 -3.652 158 HA ASP 24 HA ASP 24 10.722 -1.259 -5.784 159 HB2 ASP 24 HB2 ASP 24 11.514 -3.522 -6.197 160 HB3 ASP 24 HB1 ASP 24 9.962 -4.188 -5.716 161 H LYS 25 H LYS 25 8.292 -2.703 -3.782 162 HA LYS 25 HA LYS 25 6.167 -1.753 -5.539 163 HB2 LYS 25 HB2 LYS 25 5.896 -3.391 -3.005 164 HB3 LYS 25 HB1 LYS 25 4.665 -3.078 -4.219 165 HG2 LYS 25 HG2 LYS 25 7.158 -4.668 -4.643 166 HG3 LYS 25 HG1 LYS 25 5.533 -5.308 -4.387 167 HD2 LYS 25 HD2 LYS 25 4.787 -4.128 -6.407 168 HD3 LYS 25 HD1 LYS 25 6.438 -3.564 -6.654 169 HE2 LYS 25 HE2 LYS 25 5.641 -6.414 -6.446 170 HE3 LYS 25 HE1 LYS 25 5.845 -5.576 -7.995 171 HZ1 LYS 25 HZ1 LYS 25 7.971 -6.077 -5.939 172 HZ2 LYS 25 HZ2 LYS 25 8.184 -5.154 -7.345 173 HZ3 LYS 25 HZ3 LYS 25 7.847 -6.796 -7.456 174 H LEU 26 H LEU 26 7.966 -0.416 -3.114 175 HA LEU 26 HA LEU 26 6.065 0.594 -1.348 176 HB2 LEU 26 HB2 LEU 26 8.754 1.699 -2.090 177 HB3 LEU 26 HB1 LEU 26 7.727 2.445 -0.885 178 HG LEU 26 HG LEU 26 8.813 -0.354 -0.745 179 HD11 LEU 26 HD11 LEU 26 9.587 2.147 0.769 180 HD12 LEU 26 HD12 LEU 26 10.553 1.369 -0.480 181 HD13 LEU 26 HD13 LEU 26 10.245 0.535 1.043 182 HD21 LEU 26 HD21 LEU 26 6.691 -0.162 0.404 183 HD22 LEU 26 HD22 LEU 26 7.255 1.279 1.248 184 HD23 LEU 26 HD23 LEU 26 8.006 -0.283 1.571 185 H LEU 27 H LEU 27 7.228 2.108 -4.360 186 HA LEU 27 HA LEU 27 5.846 4.481 -4.094 187 HB2 LEU 27 HB2 LEU 27 7.523 4.125 -5.775 188 HB3 LEU 27 HB1 LEU 27 6.563 2.849 -6.510 189 HG LEU 27 HG LEU 27 4.808 4.525 -6.754 190 HD11 LEU 27 HD11 LEU 27 5.628 6.298 -5.361 191 HD12 LEU 27 HD12 LEU 27 5.507 6.890 -7.013 192 HD13 LEU 27 HD13 LEU 27 7.085 6.459 -6.347 193 HD21 LEU 27 HD21 LEU 27 7.295 4.708 -8.412 194 HD22 LEU 27 HD22 LEU 27 5.721 5.366 -8.899 195 HD23 LEU 27 HD23 LEU 27 5.905 3.633 -8.598 196 H GLU 28 H GLU 28 4.985 1.394 -5.471 197 HA GLU 28 HA GLU 28 2.468 1.934 -6.574 198 HB2 GLU 28 HB2 GLU 28 3.410 -0.619 -5.264 199 HB3 GLU 28 HB1 GLU 28 2.118 -0.466 -6.439 200 HG2 GLU 28 HG2 GLU 28 5.016 0.127 -6.972 201 HG3 GLU 28 HG1 GLU 28 4.196 -1.378 -7.378 202 H MET 29 H MET 29 3.563 1.188 -3.404 203 HA MET 29 HA MET 29 0.867 0.742 -2.459 204 HB2 MET 29 HB2 MET 29 3.533 0.330 -1.169 205 HB3 MET 29 HB1 MET 29 2.020 0.129 -0.293 206 HG2 MET 29 HG2 MET 29 2.944 -1.392 -2.714 207 HG3 MET 29 HG1 MET 29 2.784 -2.034 -1.088 208 HE1 MET 29 HE1 MET 29 0.306 -1.914 0.187 209 HE2 MET 29 HE2 MET 29 -1.197 -1.591 -0.688 210 HE3 MET 29 3HE MET 29 -0.007 -0.307 -0.467 211 H GLY 30 H GLY 30 3.090 3.198 -2.573 212 HA2 GLY 30 HA2 GLY 30 2.261 4.646 -0.263 213 HA3 GLY 30 HA1 GLY 30 3.155 5.324 -1.613 214 H TYR 31 H TYR 31 1.311 4.735 -3.665 215 HA TYR 31 HA TYR 31 -0.609 6.724 -2.969 216 HB2 TYR 31 HB2 TYR 31 -1.407 6.588 -5.355 217 HB3 TYR 31 HB1 TYR 31 0.234 7.144 -5.030 218 HD1 TYR 31 HD1 TYR 31 -1.685 4.158 -6.110 219 HD2 TYR 31 HD2 TYR 31 1.999 6.249 -6.175 220 HE1 TYR 31 HE1 TYR 31 -0.855 2.617 -7.790 221 HE2 TYR 31 HE2 TYR 31 2.868 4.721 -7.843 222 HH TYR 31 HH TYR 31 2.466 2.437 -8.726 223 H TYR 32 H TYR 32 -0.606 3.438 -3.428 224 HA TYR 32 HA TYR 32 -3.466 3.245 -3.299 225 HB2 TYR 32 HB2 TYR 32 -1.369 1.129 -3.342 226 HB3 TYR 32 HB1 TYR 32 -2.961 0.702 -2.735 227 HD1 TYR 32 HD1 TYR 32 -4.876 1.908 -4.301 228 HD2 TYR 32 HD2 TYR 32 -1.064 0.512 -5.562 229 HE1 TYR 32 HE1 TYR 32 -5.742 1.638 -6.565 230 HE2 TYR 32 HE2 TYR 32 -1.936 0.238 -7.855 231 HH TYR 32 HH TYR 32 -4.060 -0.056 -8.989 232 H CYS 33 H CYS 33 -1.047 2.268 -0.816 233 HA CYS 33 HA CYS 33 -3.179 2.833 1.093 234 HB2 CYS 33 HB2 CYS 33 -1.425 0.387 1.194 235 HB3 CYS 33 HB1 CYS 33 -2.694 0.828 2.336 236 HA PRO 34 HA PRO 34 0.846 4.910 2.033 237 HB2 PRO 34 HB2 PRO 34 -0.232 7.267 2.857 238 HB3 PRO 34 HB1 PRO 34 0.109 6.895 1.162 239 HG2 PRO 34 HG2 PRO 34 -2.469 6.639 2.665 240 HG3 PRO 34 HG1 PRO 34 -2.190 7.379 1.085 241 HD2 PRO 34 HD2 PRO 34 -3.159 4.931 1.280 242 HD3 PRO 34 HD1 PRO 34 -1.965 5.321 0.025 243 H VAL 35 H VAL 35 -2.072 4.458 3.825 244 HA VAL 35 HA VAL 35 -0.836 5.298 6.293 245 HB VAL 35 HB VAL 35 -3.614 4.203 5.828 246 HG11 VAL 35 HG11 VAL 35 -2.419 5.630 8.196 247 HG12 VAL 35 HG12 VAL 35 -2.839 3.919 8.139 248 HG13 VAL 35 3HG1 VAL 35 -4.109 5.148 8.034 249 HG21 VAL 35 HG21 VAL 35 -3.150 6.264 4.638 250 HG22 VAL 35 HG22 VAL 35 -2.610 7.018 6.131 251 HG23 VAL 35 HG23 VAL 35 -4.310 6.549 5.945 252 H THR 36 H THR 36 -2.095 2.384 4.835 253 HA THR 36 HA THR 36 -1.521 0.604 6.928 254 HB THR 36 HB THR 36 -1.552 0.019 3.957 255 HG1 THR 36 HG1 THR 36 -3.448 1.059 4.573 256 HG21 THR 36 HG21 THR 36 -2.287 -2.228 4.662 257 HG22 THR 36 HG22 THR 36 -2.133 -1.747 6.351 258 HG23 THR 36 HG23 THR 36 -0.701 -1.838 5.324 259 H CYS 37 H CYS 37 0.461 1.698 4.209 260 HA CYS 37 HA CYS 37 2.642 0.008 4.995 261 HB2 CYS 37 HB2 CYS 37 2.373 2.038 2.803 262 HB3 CYS 37 HB1 CYS 37 3.790 1.004 3.026 263 H GLY 38 H GLY 38 1.625 2.728 6.373 264 HA2 GLY 38 HA2 GLY 38 2.628 3.978 8.000 265 HA3 GLY 38 HA1 GLY 38 4.087 3.050 7.739 266 H PHE 39 H PHE 39 2.409 5.153 5.438 267 HA PHE 39 HA PHE 39 4.793 6.894 5.398 268 HB2 PHE 39 HB2 PHE 39 2.442 6.785 3.483 269 HB3 PHE 39 HB1 PHE 39 3.841 7.830 3.321 270 HD1 PHE 39 HD1 PHE 39 6.024 6.863 2.730 271 HD2 PHE 39 HD2 PHE 39 2.478 4.556 2.818 272 HE1 PHE 39 HE1 PHE 39 7.123 5.160 1.339 273 HE2 PHE 39 HE2 PHE 39 3.578 2.825 1.401 274 HZ PHE 39 HZ PHE 39 5.896 3.139 0.676 275 HA CYS 40 HA CYS 40 1.323 9.513 6.754 276 HB2 CYS 40 HB2 CYS 40 -0.933 8.033 5.386 277 HB3 CYS 40 HB1 CYS 40 -1.006 9.683 6.004 278 HN1 NH2 41 H1 CYS 40 1.417 9.225 8.860 279 HN2 NH2 41 H2 CYS 40 0.487 8.118 9.797 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 -1.640 10.044 -2.460 2 H2 GLU 1 HT2 GLU 1 -1.350 11.000 -3.818 3 H3 GLU 1 HT3 GLU 1 -2.751 11.195 -2.910 4 HA GLU 1 HA GLU 1 -0.016 11.646 -1.875 5 HB2 GLU 1 HB2 GLU 1 -0.718 13.406 -3.482 6 HB3 GLU 1 HB1 GLU 1 -2.152 13.623 -2.455 7 HG2 GLU 1 HG2 GLU 1 -0.873 14.336 -0.627 8 HG3 GLU 1 HG1 GLU 1 0.638 13.981 -1.444 9 H HIS 2 H HIS 2 -3.430 12.554 -1.377 10 HA HIS 2 HA HIS 2 -3.141 13.055 1.355 11 HB2 HIS 2 HB2 HIS 2 -5.613 12.270 -0.212 12 HB3 HIS 2 HB1 HIS 2 -5.613 12.941 1.412 13 HD1 HIS 2 HD1 HIS 2 -5.869 13.946 -2.075 14 HD2 HIS 2 HD2 HIS 2 -4.484 15.654 1.450 15 HE1 HIS 2 HE1 HIS 2 -5.790 16.418 -2.484 16 H CYS 3 H CYS 3 -2.492 11.653 2.594 17 HA CYS 3 HA CYS 3 -2.610 8.909 2.229 18 HB2 CYS 3 HB2 CYS 3 -1.803 8.537 4.495 19 HB3 CYS 3 HB1 CYS 3 -0.927 9.835 3.710 20 H ALA 4 H ALA 4 -4.528 8.257 1.670 21 HA ALA 4 HA ALA 4 -6.196 7.332 3.851 22 HB1 ALA 4 HB1 ALA 4 -8.216 7.825 2.487 23 HB2 ALA 4 HB2 ALA 4 -7.200 8.673 1.322 24 HB3 ALA 4 HB3 ALA 4 -7.372 9.301 2.961 25 H ASP 5 H ASP 5 -6.250 5.193 3.599 26 HA ASP 5 HA ASP 5 -5.092 3.872 1.391 27 HB2 ASP 5 HB2 ASP 5 -7.049 2.666 3.361 28 HB3 ASP 5 HB1 ASP 5 -5.897 1.796 2.359 29 H GLU 6 H GLU 6 -5.883 2.936 -0.393 30 HA GLU 6 HA GLU 6 -8.153 4.121 -1.585 31 HB2 GLU 6 HB2 GLU 6 -5.895 3.031 -2.524 32 HB3 GLU 6 HB1 GLU 6 -6.934 1.630 -2.686 33 HG2 GLU 6 HG2 GLU 6 -7.333 4.322 -3.986 34 HG3 GLU 6 HG1 GLU 6 -6.793 2.852 -4.777 35 H LYS 7 H LYS 7 -10.147 3.314 -1.941 36 HA LYS 7 HA LYS 7 -11.078 1.423 -0.029 37 HB2 LYS 7 HB2 LYS 7 -13.318 1.951 -0.918 38 HB3 LYS 7 HB1 LYS 7 -12.402 3.313 -0.290 39 HG2 LYS 7 HG2 LYS 7 -11.810 3.940 -2.591 40 HG3 LYS 7 HG1 LYS 7 -12.778 2.591 -3.186 41 HD2 LYS 7 HD2 LYS 7 -14.093 4.595 -3.320 42 HD3 LYS 7 HD1 LYS 7 -14.701 3.521 -2.046 43 HE2 LYS 7 HE2 LYS 7 -14.702 5.886 -1.360 44 HE3 LYS 7 HE1 LYS 7 -13.687 4.895 -0.325 45 HZ1 LYS 7 HZ1 LYS 7 -11.740 5.767 -1.461 46 HZ2 LYS 7 HZ2 LYS 7 -12.675 7.054 -0.948 47 HZ3 LYS 7 HZ3 LYS 7 -12.690 6.596 -2.554 48 H ASN 8 H ASN 8 -10.416 1.161 -3.348 49 HA ASN 8 HA ASN 8 -11.883 -1.376 -3.378 50 HB2 ASN 8 HB2 ASN 8 -10.784 0.278 -5.650 51 HB3 ASN 8 HB1 ASN 8 -11.366 -1.366 -5.882 52 HD21 ASN 8 HD21 ASN 8 -13.552 -1.770 -5.745 53 HD22 ASN 8 HD22 ASN 8 -14.744 -0.523 -5.758 54 H PHE 9 H PHE 9 -8.958 -0.336 -2.611 55 HA PHE 9 HA PHE 9 -7.495 -2.634 -3.725 56 HB2 PHE 9 HB2 PHE 9 -6.681 -0.166 -3.799 57 HB3 PHE 9 HB1 PHE 9 -6.343 -0.403 -2.084 58 HD1 PHE 9 HD1 PHE 9 -4.334 -1.380 -1.435 59 HD2 PHE 9 HD2 PHE 9 -5.735 -1.833 -5.407 60 HE1 PHE 9 HE1 PHE 9 -2.220 -2.457 -2.054 61 HE2 PHE 9 HE2 PHE 9 -3.672 -2.902 -6.047 62 HZ PHE 9 HZ PHE 9 -1.861 -3.220 -4.366 63 H ASP 10 H ASP 10 -6.628 -4.162 -2.272 64 HA ASP 10 HA ASP 10 -7.754 -3.878 0.414 65 HB2 ASP 10 HB2 ASP 10 -8.431 -5.919 -0.843 66 HB3 ASP 10 HB1 ASP 10 -6.741 -6.431 -0.831 67 H CYS 11 H CYS 11 -6.411 -2.907 1.631 68 HA CYS 11 HA CYS 11 -3.619 -2.956 1.307 69 HB2 CYS 11 HB2 CYS 11 -5.260 -1.949 3.634 70 HB3 CYS 11 HB1 CYS 11 -3.584 -1.553 3.276 71 H ARG 12 H ARG 12 -5.813 -4.850 3.193 72 HA ARG 12 HA ARG 12 -4.020 -5.848 5.151 73 HB2 ARG 12 HB2 ARG 12 -6.393 -7.263 3.910 74 HB3 ARG 12 HB1 ARG 12 -5.600 -7.730 5.402 75 HG2 ARG 12 HG2 ARG 12 -7.130 -5.176 4.925 76 HG3 ARG 12 HG1 ARG 12 -7.711 -6.584 5.806 77 HD2 ARG 12 HD2 ARG 12 -5.954 -6.277 7.473 78 HD3 ARG 12 HD1 ARG 12 -5.336 -4.891 6.575 79 HE ARG 12 HE ARG 12 -8.052 -4.510 7.139 80 HH11 ARG 12 HH11 ARG 12 -4.968 -4.594 8.873 81 HH12 ARG 12 HH12 ARG 12 -5.442 -3.455 10.034 82 HH21 ARG 12 HH21 ARG 12 -8.688 -2.930 8.743 83 HH22 ARG 12 HH22 ARG 12 -7.586 -2.489 9.963 84 H ARG 13 H ARG 13 -5.028 -7.118 2.011 85 HA ARG 13 HA ARG 13 -3.430 -9.402 1.930 86 HB2 ARG 13 HB2 ARG 13 -5.268 -9.018 0.353 87 HB3 ARG 13 HB1 ARG 13 -4.402 -7.666 -0.356 88 HG2 ARG 13 HG2 ARG 13 -2.646 -9.191 -1.123 89 HG3 ARG 13 HG1 ARG 13 -3.519 -10.546 -0.420 90 HD2 ARG 13 HD2 ARG 13 -3.914 -10.436 -2.816 91 HD3 ARG 13 HD1 ARG 13 -5.397 -10.110 -1.931 92 HE ARG 13 HE ARG 13 -5.067 -7.741 -2.439 93 HH11 ARG 13 HH11 ARG 13 -3.090 -9.966 -4.410 94 HH12 ARG 13 HH12 ARG 13 -3.130 -8.944 -5.770 95 HH21 ARG 13 HH21 ARG 13 -5.074 -6.401 -4.315 96 HH22 ARG 13 HH22 ARG 13 -4.283 -6.886 -5.737 97 H SER 14 H SER 14 -2.760 -6.173 0.576 98 HA SER 14 HA SER 14 -0.242 -6.833 -0.428 99 HB2 SER 14 HB2 SER 14 -1.316 -4.149 0.415 100 HB3 SER 14 HB1 SER 14 0.048 -4.421 -0.672 101 HG SER 14 HG SER 14 -1.264 -5.033 -2.217 102 H LEU 15 H LEU 15 -1.226 -5.684 2.765 103 HA LEU 15 HA LEU 15 1.375 -5.105 3.705 104 HB2 LEU 15 HB2 LEU 15 -0.883 -4.343 4.657 105 HB3 LEU 15 HB1 LEU 15 -1.031 -5.933 5.351 106 HG LEU 15 HG LEU 15 -0.360 -4.197 6.983 107 HD11 LEU 15 HD11 LEU 15 0.250 -6.471 7.475 108 HD12 LEU 15 HD12 LEU 15 1.503 -5.358 8.034 109 HD13 LEU 15 HD13 LEU 15 1.742 -6.289 6.554 110 HD21 LEU 15 HD21 LEU 15 0.954 -2.765 5.508 111 HD22 LEU 15 HD22 LEU 15 2.177 -4.022 5.374 112 HD23 LEU 15 HD23 LEU 15 1.880 -3.245 6.926 113 H ARG 16 H ARG 16 -0.709 -7.954 3.846 114 HA ARG 16 HA ARG 16 1.091 -9.525 5.367 115 HB2 ARG 16 HB2 ARG 16 -1.290 -10.251 3.698 116 HB3 ARG 16 HB1 ARG 16 -0.349 -11.446 4.574 117 HG2 ARG 16 HG2 ARG 16 -0.866 -10.323 6.677 118 HG3 ARG 16 HG1 ARG 16 -1.793 -9.104 5.799 119 HD2 ARG 16 HD2 ARG 16 -3.228 -10.850 6.791 120 HD3 ARG 16 HD1 ARG 16 -3.344 -10.783 5.033 121 HE ARG 16 HE ARG 16 -1.392 -12.624 5.630 122 HH11 ARG 16 HH11 ARG 16 -4.882 -12.337 6.250 123 HH12 ARG 16 HH12 ARG 16 -5.160 -14.012 6.202 124 HH21 ARG 16 HH21 ARG 16 -1.788 -14.941 5.588 125 HH22 ARG 16 HH22 ARG 16 -3.377 -15.520 5.811 126 H ASN 17 H ASN 17 0.596 -9.204 1.900 127 HA ASN 17 HA ASN 17 2.351 -11.341 1.213 128 HB2 ASN 17 HB2 ASN 17 1.192 -9.083 -0.374 129 HB3 ASN 17 HB1 ASN 17 2.464 -10.080 -1.066 130 HD21 ASN 17 HD21 ASN 17 -0.785 -10.044 0.132 131 HD22 ASN 17 HD22 ASN 17 -1.272 -11.531 -0.613 132 H GLY 18 H GLY 18 2.847 -7.947 1.746 133 HA2 GLY 18 HA2 GLY 18 5.085 -7.445 2.678 134 HA3 GLY 18 HA1 GLY 18 5.724 -8.496 1.431 135 H ASP 19 H ASP 19 3.260 -6.941 0.013 136 HA ASP 19 HA ASP 19 4.878 -5.437 -1.749 137 HB2 ASP 19 HB2 ASP 19 1.912 -5.255 -1.205 138 HB3 ASP 19 HB1 ASP 19 2.713 -4.325 -2.459 139 H CYS 20 H CYS 20 3.356 -4.656 1.216 140 HA CYS 20 HA CYS 20 3.520 -1.800 0.865 141 HB2 CYS 20 HB2 CYS 20 1.615 -2.830 2.013 142 HB3 CYS 20 HB1 CYS 20 2.682 -3.522 3.209 143 H ASP 21 H ASP 21 5.749 -4.140 1.619 144 HA ASP 21 HA ASP 21 7.440 -2.173 3.039 145 HB2 ASP 21 HB2 ASP 21 6.885 -4.019 4.532 146 HB3 ASP 21 HB1 ASP 21 7.382 -5.189 3.321 147 H ASN 22 H ASN 22 6.926 -3.889 0.276 148 HA ASN 22 HA ASN 22 9.645 -4.469 -0.469 149 HB2 ASN 22 HB2 ASN 22 7.864 -5.975 -1.172 150 HB3 ASN 22 HB1 ASN 22 7.038 -4.658 -1.987 151 HD21 ASN 22 HD21 ASN 22 9.719 -6.844 -2.094 152 HD22 ASN 22 HD22 ASN 22 10.133 -6.561 -3.743 153 H ASP 23 H ASP 23 10.960 -3.105 -1.375 154 HA ASP 23 HA ASP 23 10.564 -0.384 -1.730 155 HB2 ASP 23 HB2 ASP 23 12.795 -1.356 -1.535 156 HB3 ASP 23 HB1 ASP 23 12.606 -2.167 -3.076 157 H ASP 24 H ASP 24 10.386 -2.948 -4.069 158 HA ASP 24 HA ASP 24 10.134 -1.252 -6.336 159 HB2 ASP 24 HB2 ASP 24 9.645 -4.201 -6.000 160 HB3 ASP 24 HB1 ASP 24 9.488 -3.374 -7.542 161 H LYS 25 H LYS 25 7.891 -2.219 -4.005 162 HA LYS 25 HA LYS 25 5.696 -1.445 -5.810 163 HB2 LYS 25 HB2 LYS 25 5.554 -3.106 -3.292 164 HB3 LYS 25 HB1 LYS 25 4.192 -2.707 -4.334 165 HG2 LYS 25 HG2 LYS 25 6.588 -4.385 -5.016 166 HG3 LYS 25 HG1 LYS 25 4.963 -4.971 -4.668 167 HD2 LYS 25 HD2 LYS 25 5.604 -3.093 -6.930 168 HD3 LYS 25 HD1 LYS 25 5.627 -4.842 -7.052 169 HE2 LYS 25 HE2 LYS 25 3.218 -3.238 -6.169 170 HE3 LYS 25 HE1 LYS 25 3.487 -3.772 -7.824 171 HZ1 LYS 25 HZ1 LYS 25 3.172 -5.577 -5.460 172 HZ2 LYS 25 HZ2 LYS 25 3.448 -6.066 -7.050 173 HZ3 LYS 25 HZ3 LYS 25 2.028 -5.279 -6.655 174 H LEU 26 H LEU 26 7.578 -0.298 -3.307 175 HA LEU 26 HA LEU 26 5.765 0.723 -1.503 176 HB2 LEU 26 HB2 LEU 26 8.499 1.712 -2.190 177 HB3 LEU 26 HB1 LEU 26 7.518 2.479 -0.961 178 HG LEU 26 HG LEU 26 8.507 -0.371 -0.936 179 HD11 LEU 26 HD11 LEU 26 9.209 1.996 0.775 180 HD12 LEU 26 HD12 LEU 26 10.217 1.333 -0.506 181 HD13 LEU 26 HD13 LEU 26 9.862 0.365 0.931 182 HD21 LEU 26 HD21 LEU 26 6.841 1.151 1.066 183 HD22 LEU 26 HD22 LEU 26 7.589 -0.417 1.350 184 HD23 LEU 26 HD23 LEU 26 6.333 -0.258 0.129 185 H LEU 27 H LEU 27 6.856 2.408 -4.465 186 HA LEU 27 HA LEU 27 5.693 4.843 -3.871 187 HB2 LEU 27 HB2 LEU 27 7.226 4.544 -5.692 188 HB3 LEU 27 HB1 LEU 27 6.135 3.403 -6.461 189 HG LEU 27 HG LEU 27 4.495 5.192 -6.496 190 HD11 LEU 27 HD11 LEU 27 6.914 6.940 -6.014 191 HD12 LEU 27 HD12 LEU 27 5.475 6.815 -5.003 192 HD13 LEU 27 HD13 LEU 27 5.366 7.540 -6.606 193 HD21 LEU 27 HD21 LEU 27 6.939 5.387 -8.202 194 HD22 LEU 27 HD22 LEU 27 5.364 6.109 -8.608 195 HD23 LEU 27 HD23 LEU 27 5.527 4.355 -8.412 196 H GLU 28 H GLU 28 4.473 1.993 -5.479 197 HA GLU 28 HA GLU 28 1.923 3.021 -6.138 198 HB2 GLU 28 HB2 GLU 28 2.889 0.182 -5.833 199 HB3 GLU 28 HB1 GLU 28 1.351 0.653 -6.556 200 HG2 GLU 28 HG2 GLU 28 2.481 1.869 -8.273 201 HG3 GLU 28 HG1 GLU 28 4.036 1.534 -7.516 202 H MET 29 H MET 29 3.297 1.517 -3.397 203 HA MET 29 HA MET 29 0.727 0.980 -2.197 204 HB2 MET 29 HB2 MET 29 3.525 0.638 -1.162 205 HB3 MET 29 HB1 MET 29 2.102 0.288 -0.196 206 HG2 MET 29 HG2 MET 29 2.943 -1.046 -2.755 207 HG3 MET 29 HG1 MET 29 2.928 -1.757 -1.145 208 HE1 MET 29 HE1 MET 29 -1.002 -1.657 -0.445 209 HE2 MET 29 HE2 MET 29 0.098 -0.293 -0.243 210 HE3 MET 29 3HE MET 29 0.594 -1.902 0.281 211 H GLY 30 H GLY 30 2.952 3.443 -2.324 212 HA2 GLY 30 HA2 GLY 30 2.208 4.776 0.081 213 HA3 GLY 30 HA1 GLY 30 3.118 5.504 -1.227 214 H TYR 31 H TYR 31 0.995 4.731 -3.175 215 HA TYR 31 HA TYR 31 -0.879 6.711 -2.264 216 HB2 TYR 31 HB2 TYR 31 -1.755 6.853 -4.615 217 HB3 TYR 31 HB1 TYR 31 -0.125 7.427 -4.285 218 HD1 TYR 31 HD1 TYR 31 -1.999 4.555 -5.713 219 HD2 TYR 31 HD2 TYR 31 1.621 6.747 -5.589 220 HE1 TYR 31 HE1 TYR 31 -1.203 3.329 -7.654 221 HE2 TYR 31 HE2 TYR 31 2.454 5.545 -7.505 222 HH TYR 31 HH TYR 31 2.098 3.537 -8.777 223 H TYR 32 H TYR 32 -0.811 3.483 -3.304 224 HA TYR 32 HA TYR 32 -3.609 3.174 -3.119 225 HB2 TYR 32 HB2 TYR 32 -1.423 1.160 -3.326 226 HB3 TYR 32 HB1 TYR 32 -3.031 0.620 -2.848 227 HD1 TYR 32 HD1 TYR 32 -1.023 0.832 -5.614 228 HD2 TYR 32 HD2 TYR 32 -4.892 1.975 -4.303 229 HE1 TYR 32 HE1 TYR 32 -1.808 0.899 -7.955 230 HE2 TYR 32 HE2 TYR 32 -5.676 2.050 -6.590 231 HH TYR 32 HH TYR 32 -3.879 0.770 -9.186 232 H CYS 33 H CYS 33 -1.141 2.350 -0.674 233 HA CYS 33 HA CYS 33 -3.342 2.626 1.207 234 HB2 CYS 33 HB2 CYS 33 -1.348 0.358 1.293 235 HB3 CYS 33 HB1 CYS 33 -2.598 0.706 2.487 236 HA PRO 34 HA PRO 34 0.497 5.082 2.148 237 HB2 PRO 34 HB2 PRO 34 -0.827 7.376 2.808 238 HB3 PRO 34 HB1 PRO 34 -0.291 6.981 1.170 239 HG2 PRO 34 HG2 PRO 34 -2.979 6.584 2.421 240 HG3 PRO 34 HG1 PRO 34 -2.592 7.257 0.833 241 HD2 PRO 34 HD2 PRO 34 -3.406 4.765 1.085 242 HD3 PRO 34 HD1 PRO 34 -2.118 5.175 -0.065 243 H VAL 35 H VAL 35 -2.513 4.594 3.832 244 HA VAL 35 HA VAL 35 -1.387 5.569 6.296 245 HB VAL 35 HB VAL 35 -4.052 4.186 5.914 246 HG11 VAL 35 HG11 VAL 35 -3.236 4.126 8.228 247 HG12 VAL 35 HG12 VAL 35 -4.635 5.191 8.072 248 HG13 VAL 35 3HG1 VAL 35 -3.010 5.875 8.192 249 HG21 VAL 35 HG21 VAL 35 -3.893 6.207 4.600 250 HG22 VAL 35 HG22 VAL 35 -3.345 7.103 6.010 251 HG23 VAL 35 HG23 VAL 35 -4.990 6.453 5.964 252 H THR 36 H THR 36 -2.392 2.522 4.897 253 HA THR 36 HA THR 36 -1.724 0.830 7.027 254 HB THR 36 HB THR 36 -1.558 0.182 4.080 255 HG1 THR 36 HG1 THR 36 -3.576 1.121 4.586 256 HG21 THR 36 HG21 THR 36 -2.182 -2.100 4.816 257 HG22 THR 36 HG22 THR 36 -2.155 -1.550 6.492 258 HG23 THR 36 HG23 THR 36 -0.672 -1.561 5.547 259 H CYS 37 H CYS 37 0.208 2.010 4.300 260 HA CYS 37 HA CYS 37 2.537 0.616 5.179 261 HB2 CYS 37 HB2 CYS 37 2.122 2.638 2.989 262 HB3 CYS 37 HB1 CYS 37 3.665 1.830 3.290 263 H GLY 38 H GLY 38 1.121 3.255 6.429 264 HA2 GLY 38 HA2 GLY 38 1.816 4.529 8.198 265 HA3 GLY 38 HA1 GLY 38 3.370 3.732 8.095 266 H PHE 39 H PHE 39 1.675 5.860 5.771 267 HA PHE 39 HA PHE 39 4.075 7.488 5.803 268 HB2 PHE 39 HB2 PHE 39 1.695 7.526 3.948 269 HB3 PHE 39 HB1 PHE 39 2.988 8.724 3.875 270 HD1 PHE 39 HD1 PHE 39 2.046 5.297 3.183 271 HD2 PHE 39 HD2 PHE 39 5.246 8.071 3.224 272 HE1 PHE 39 HE1 PHE 39 3.399 3.758 1.796 273 HE2 PHE 39 HE2 PHE 39 6.601 6.549 1.849 274 HZ PHE 39 HZ PHE 39 5.673 4.388 1.136 275 HA CYS 40 HA CYS 40 1.863 9.888 8.651 276 HB2 CYS 40 HB2 CYS 40 -0.387 10.932 8.493 277 HB3 CYS 40 HB1 CYS 40 0.359 10.796 6.911 278 HN1 NH2 41 H1 CYS 40 2.041 9.140 10.605 279 HN2 NH2 41 H2 CYS 40 1.014 7.962 11.337 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 -1.424 16.649 -2.962 2 H2 GLU 1 HT2 GLU 1 -0.893 16.371 -1.382 3 H3 GLU 1 HT3 GLU 1 -2.383 17.097 -1.647 4 HA GLU 1 HA GLU 1 -3.228 15.110 -2.645 5 HB2 GLU 1 HB2 GLU 1 -1.074 14.319 -3.562 6 HB3 GLU 1 HB1 GLU 1 -0.495 14.007 -1.934 7 HG2 GLU 1 HG2 GLU 1 -1.159 11.958 -3.080 8 HG3 GLU 1 HG1 GLU 1 -2.158 12.262 -1.659 9 H HIS 2 H HIS 2 -4.446 13.870 -1.291 10 HA HIS 2 HA HIS 2 -3.812 14.074 1.567 11 HB2 HIS 2 HB2 HIS 2 -6.493 13.719 0.188 12 HB3 HIS 2 HB1 HIS 2 -6.268 13.619 1.929 13 HD1 HIS 2 HD1 HIS 2 -6.042 15.891 3.220 14 HD2 HIS 2 HD2 HIS 2 -6.318 16.278 -0.917 15 HE1 HIS 2 HE1 HIS 2 -6.401 18.316 2.779 16 H CYS 3 H CYS 3 -3.016 12.230 2.350 17 HA CYS 3 HA CYS 3 -3.249 9.933 0.665 18 HB2 CYS 3 HB2 CYS 3 -1.497 8.945 2.079 19 HB3 CYS 3 HB1 CYS 3 -1.062 10.529 1.465 20 H ALA 4 H ALA 4 -4.727 8.462 0.845 21 HA ALA 4 HA ALA 4 -5.585 7.498 3.440 22 HB1 ALA 4 HB1 ALA 4 -7.242 9.230 2.875 23 HB2 ALA 4 HB2 ALA 4 -7.956 7.617 2.816 24 HB3 ALA 4 HB3 ALA 4 -7.526 8.445 1.320 25 H ASP 5 H ASP 5 -5.944 5.358 3.362 26 HA ASP 5 HA ASP 5 -4.956 3.789 1.255 27 HB2 ASP 5 HB2 ASP 5 -6.946 2.861 3.312 28 HB3 ASP 5 HB1 ASP 5 -5.782 1.873 2.436 29 H GLU 6 H GLU 6 -5.770 3.019 -0.535 30 HA GLU 6 HA GLU 6 -8.294 3.752 -1.527 31 HB2 GLU 6 HB2 GLU 6 -6.428 3.457 -3.049 32 HB3 GLU 6 HB1 GLU 6 -6.178 1.817 -2.506 33 HG2 GLU 6 HG2 GLU 6 -7.169 1.923 -4.690 34 HG3 GLU 6 HG1 GLU 6 -8.232 1.125 -3.537 35 H LYS 7 H LYS 7 -10.142 2.807 -1.415 36 HA LYS 7 HA LYS 7 -10.578 0.545 0.323 37 HB2 LYS 7 HB2 LYS 7 -12.932 0.982 -0.021 38 HB3 LYS 7 HB1 LYS 7 -12.070 2.472 0.340 39 HG2 LYS 7 HG2 LYS 7 -12.068 3.057 -2.016 40 HG3 LYS 7 HG1 LYS 7 -12.921 1.562 -2.396 41 HD2 LYS 7 HD2 LYS 7 -14.554 3.271 -2.325 42 HD3 LYS 7 HD1 LYS 7 -14.691 2.295 -0.853 43 HE2 LYS 7 HE2 LYS 7 -14.897 4.675 -0.302 44 HE3 LYS 7 HE1 LYS 7 -13.446 3.991 0.412 45 HZ1 LYS 7 HZ1 LYS 7 -12.980 6.141 -0.591 46 HZ2 LYS 7 HZ2 LYS 7 -13.544 5.625 -2.073 47 HZ3 LYS 7 HZ3 LYS 7 -12.156 4.959 -1.438 48 H ASN 8 H ASN 8 -10.242 1.093 -2.966 49 HA ASN 8 HA ASN 8 -11.606 -1.347 -3.812 50 HB2 ASN 8 HB2 ASN 8 -11.606 0.829 -5.130 51 HB3 ASN 8 HB1 ASN 8 -9.918 0.513 -5.493 52 HD21 ASN 8 HD21 ASN 8 -13.179 -0.405 -6.064 53 HD22 ASN 8 HD22 ASN 8 -12.882 -1.421 -7.424 54 H PHE 9 H PHE 9 -8.691 -0.566 -2.553 55 HA PHE 9 HA PHE 9 -7.144 -2.692 -3.911 56 HB2 PHE 9 HB2 PHE 9 -6.409 -0.212 -3.750 57 HB3 PHE 9 HB1 PHE 9 -6.135 -0.568 -2.049 58 HD1 PHE 9 HD1 PHE 9 -4.155 -1.574 -1.376 59 HD2 PHE 9 HD2 PHE 9 -5.310 -1.632 -5.447 60 HE1 PHE 9 HE1 PHE 9 -1.963 -2.480 -1.978 61 HE2 PHE 9 HE2 PHE 9 -3.175 -2.527 -6.074 62 HZ PHE 9 HZ PHE 9 -1.435 -2.944 -4.319 63 H ASP 10 H ASP 10 -6.167 -4.252 -2.455 64 HA ASP 10 HA ASP 10 -7.398 -4.166 0.196 65 HB2 ASP 10 HB2 ASP 10 -7.695 -6.276 -1.238 66 HB3 ASP 10 HB1 ASP 10 -5.989 -6.590 -0.916 67 H CYS 11 H CYS 11 -6.209 -3.043 1.428 68 HA CYS 11 HA CYS 11 -3.413 -2.765 1.212 69 HB2 CYS 11 HB2 CYS 11 -5.267 -1.991 3.468 70 HB3 CYS 11 HB1 CYS 11 -3.634 -1.396 3.192 71 H ARG 12 H ARG 12 -5.496 -4.879 2.982 72 HA ARG 12 HA ARG 12 -3.642 -5.497 5.070 73 HB2 ARG 12 HB2 ARG 12 -6.068 -7.060 4.168 74 HB3 ARG 12 HB1 ARG 12 -5.228 -7.244 5.700 75 HG2 ARG 12 HG2 ARG 12 -6.767 -4.824 4.777 76 HG3 ARG 12 HG1 ARG 12 -7.270 -5.990 6.001 77 HD2 ARG 12 HD2 ARG 12 -5.467 -5.314 7.452 78 HD3 ARG 12 HD1 ARG 12 -4.801 -4.257 6.207 79 HE ARG 12 HE ARG 12 -7.462 -3.585 6.745 80 HH11 ARG 12 HH11 ARG 12 -4.308 -3.375 8.315 81 HH12 ARG 12 HH12 ARG 12 -4.600 -1.895 9.089 82 HH21 ARG 12 HH21 ARG 12 -7.924 -1.562 7.840 83 HH22 ARG 12 HH22 ARG 12 -6.731 -0.842 8.813 84 H ARG 13 H ARG 13 -4.808 -7.225 2.220 85 HA ARG 13 HA ARG 13 -3.184 -9.483 2.408 86 HB2 ARG 13 HB2 ARG 13 -5.122 -9.201 0.882 87 HB3 ARG 13 HB1 ARG 13 -4.151 -8.112 -0.095 88 HG2 ARG 13 HG2 ARG 13 -2.558 -9.958 -0.495 89 HG3 ARG 13 HG1 ARG 13 -3.634 -11.025 0.403 90 HD2 ARG 13 HD2 ARG 13 -4.333 -9.507 -2.093 91 HD3 ARG 13 HD1 ARG 13 -3.981 -11.231 -1.992 92 HE ARG 13 HE ARG 13 -6.034 -10.674 -0.220 93 HH11 ARG 13 HH11 ARG 13 -5.498 -10.739 -3.709 94 HH12 ARG 13 HH12 ARG 13 -7.139 -10.989 -4.109 95 HH21 ARG 13 HH21 ARG 13 -8.297 -11.047 -0.787 96 HH22 ARG 13 HH22 ARG 13 -8.734 -11.160 -2.444 97 H SER 14 H SER 14 -2.650 -6.419 0.740 98 HA SER 14 HA SER 14 -0.209 -7.071 -0.457 99 HB2 SER 14 HB2 SER 14 -1.179 -4.349 0.444 100 HB3 SER 14 HB1 SER 14 0.071 -4.658 -0.764 101 HG SER 14 HG SER 14 -2.692 -4.920 -0.928 102 H LEU 15 H LEU 15 -0.919 -5.751 2.744 103 HA LEU 15 HA LEU 15 1.811 -5.402 3.430 104 HB2 LEU 15 HB2 LEU 15 0.070 -4.098 4.507 105 HB3 LEU 15 HB1 LEU 15 -0.664 -5.553 5.135 106 HG LEU 15 HG LEU 15 1.222 -5.937 6.614 107 HD11 LEU 15 HD11 LEU 15 3.036 -4.318 6.799 108 HD12 LEU 15 HD12 LEU 15 2.393 -3.435 5.408 109 HD13 LEU 15 HD13 LEU 15 3.001 -5.081 5.210 110 HD21 LEU 15 HD21 LEU 15 0.268 -3.087 6.737 111 HD22 LEU 15 HD22 LEU 15 0.963 -4.012 8.069 112 HD23 LEU 15 HD23 LEU 15 -0.588 -4.490 7.374 113 H ARG 16 H ARG 16 -0.628 -7.830 4.166 114 HA ARG 16 HA ARG 16 0.836 -9.547 5.781 115 HB2 ARG 16 HB2 ARG 16 -1.286 -10.197 3.742 116 HB3 ARG 16 HB1 ARG 16 -0.649 -11.365 4.886 117 HG2 ARG 16 HG2 ARG 16 -1.499 -10.097 6.734 118 HG3 ARG 16 HG1 ARG 16 -2.007 -8.798 5.652 119 HD2 ARG 16 HD2 ARG 16 -3.579 -10.281 4.560 120 HD3 ARG 16 HD1 ARG 16 -3.043 -11.626 5.569 121 HE ARG 16 HE ARG 16 -3.784 -9.849 7.383 122 HH11 ARG 16 HH11 ARG 16 -5.510 -10.838 4.428 123 HH12 ARG 16 HH12 ARG 16 -7.038 -10.783 5.133 124 HH21 ARG 16 HH21 ARG 16 -5.931 -9.778 8.353 125 HH22 ARG 16 HH22 ARG 16 -7.297 -10.173 7.416 126 H ASN 17 H ASN 17 0.604 -9.566 2.238 127 HA ASN 17 HA ASN 17 2.321 -11.793 1.809 128 HB2 ASN 17 HB2 ASN 17 1.802 -9.465 -0.068 129 HB3 ASN 17 HB1 ASN 17 2.513 -11.006 -0.509 130 HD21 ASN 17 HD21 ASN 17 0.545 -12.373 1.306 131 HD22 ASN 17 HD22 ASN 17 -0.919 -12.379 0.397 132 H GLY 18 H GLY 18 2.789 -8.422 2.127 133 HA2 GLY 18 HA2 GLY 18 4.824 -7.592 3.136 134 HA3 GLY 18 HA1 GLY 18 5.692 -8.868 2.291 135 H ASP 19 H ASP 19 3.469 -7.743 0.175 136 HA ASP 19 HA ASP 19 5.528 -6.553 -1.377 137 HB2 ASP 19 HB2 ASP 19 2.632 -7.017 -1.914 138 HB3 ASP 19 HB1 ASP 19 3.552 -5.943 -2.962 139 H CYS 20 H CYS 20 3.275 -5.322 0.782 140 HA CYS 20 HA CYS 20 3.242 -2.748 -0.338 141 HB2 CYS 20 HB2 CYS 20 1.424 -3.485 1.116 142 HB3 CYS 20 HB1 CYS 20 2.538 -3.584 2.473 143 H ASP 21 H ASP 21 5.410 -4.427 1.765 144 HA ASP 21 HA ASP 21 6.816 -1.948 2.476 145 HB2 ASP 21 HB2 ASP 21 6.265 -3.505 4.331 146 HB3 ASP 21 HB1 ASP 21 7.171 -4.776 3.525 147 H ASN 22 H ASN 22 6.698 -4.161 0.180 148 HA ASN 22 HA ASN 22 9.470 -4.629 -0.373 149 HB2 ASN 22 HB2 ASN 22 7.891 -6.343 -1.015 150 HB3 ASN 22 HB1 ASN 22 6.901 -5.167 -1.858 151 HD21 ASN 22 HD21 ASN 22 6.987 -6.745 -3.581 152 HD22 ASN 22 HD22 ASN 22 8.347 -6.777 -4.642 153 H ASP 23 H ASP 23 10.752 -3.473 -1.590 154 HA ASP 23 HA ASP 23 10.362 -0.770 -2.096 155 HB2 ASP 23 HB2 ASP 23 12.358 -2.696 -3.259 156 HB3 ASP 23 HB1 ASP 23 12.386 -0.974 -3.612 157 H ASP 24 H ASP 24 9.823 -3.471 -4.106 158 HA ASP 24 HA ASP 24 9.561 -2.227 -6.596 159 HB2 ASP 24 HB2 ASP 24 9.822 -4.624 -6.346 160 HB3 ASP 24 HB1 ASP 24 8.277 -4.733 -5.524 161 H LYS 25 H LYS 25 7.224 -2.481 -3.938 162 HA LYS 25 HA LYS 25 5.301 -1.120 -5.673 163 HB2 LYS 25 HB2 LYS 25 4.804 -2.852 -3.263 164 HB3 LYS 25 HB1 LYS 25 3.592 -1.764 -3.907 165 HG2 LYS 25 HG2 LYS 25 3.061 -3.847 -4.759 166 HG3 LYS 25 HG1 LYS 25 3.882 -2.994 -6.071 167 HD2 LYS 25 HD2 LYS 25 5.901 -4.218 -5.653 168 HD3 LYS 25 HD1 LYS 25 5.175 -5.003 -4.245 169 HE2 LYS 25 HE2 LYS 25 3.483 -6.004 -5.671 170 HE3 LYS 25 HE1 LYS 25 4.203 -5.227 -7.081 171 HZ1 LYS 25 HZ1 LYS 25 6.235 -6.462 -6.641 172 HZ2 LYS 25 HZ2 LYS 25 4.910 -7.479 -6.933 173 HZ3 LYS 25 HZ3 LYS 25 5.460 -7.290 -5.357 174 H LEU 26 H LEU 26 7.514 -0.203 -3.466 175 HA LEU 26 HA LEU 26 6.127 1.083 -1.445 176 HB2 LEU 26 HB2 LEU 26 8.764 1.804 -2.661 177 HB3 LEU 26 HB1 LEU 26 8.087 2.709 -1.325 178 HG LEU 26 HG LEU 26 8.746 -0.231 -1.276 179 HD11 LEU 26 HD11 LEU 26 10.129 2.129 0.011 180 HD12 LEU 26 HD12 LEU 26 10.741 1.216 -1.364 181 HD13 LEU 26 HD13 LEU 26 10.578 0.436 0.212 182 HD21 LEU 26 HD21 LEU 26 8.363 -0.017 1.151 183 HD22 LEU 26 HD22 LEU 26 6.908 0.272 0.210 184 HD23 LEU 26 HD23 LEU 26 7.794 1.634 0.897 185 H LEU 27 H LEU 27 7.010 2.669 -4.548 186 HA LEU 27 HA LEU 27 5.947 5.162 -3.930 187 HB2 LEU 27 HB2 LEU 27 7.405 4.785 -5.813 188 HB3 LEU 27 HB1 LEU 27 6.237 3.668 -6.509 189 HG LEU 27 HG LEU 27 4.668 5.539 -6.475 190 HD11 LEU 27 HD11 LEU 27 5.836 7.149 -5.130 191 HD12 LEU 27 HD12 LEU 27 5.644 7.828 -6.746 192 HD13 LEU 27 HD13 LEU 27 7.200 7.165 -6.247 193 HD21 LEU 27 HD21 LEU 27 5.442 6.352 -8.689 194 HD22 LEU 27 HD22 LEU 27 5.453 4.599 -8.454 195 HD23 LEU 27 HD23 LEU 27 6.971 5.502 -8.387 196 H GLU 28 H GLU 28 4.649 2.282 -5.422 197 HA GLU 28 HA GLU 28 2.128 3.210 -6.252 198 HB2 GLU 28 HB2 GLU 28 2.873 0.427 -5.321 199 HB3 GLU 28 HB1 GLU 28 1.519 0.856 -6.352 200 HG2 GLU 28 HG2 GLU 28 4.406 1.242 -7.113 201 HG3 GLU 28 HG1 GLU 28 3.458 -0.183 -7.519 202 H MET 29 H MET 29 3.390 1.968 -3.276 203 HA MET 29 HA MET 29 0.788 1.614 -2.093 204 HB2 MET 29 HB2 MET 29 3.530 1.266 -0.950 205 HB3 MET 29 HB1 MET 29 2.049 0.954 -0.045 206 HG2 MET 29 HG2 MET 29 3.178 -0.478 -2.410 207 HG3 MET 29 HG1 MET 29 2.810 -1.065 -0.787 208 HE1 MET 29 HE1 MET 29 0.266 -1.305 0.124 209 HE2 MET 29 HE2 MET 29 -1.154 -0.923 -0.868 210 HE3 MET 29 3HE MET 29 -0.013 0.347 -0.419 211 H GLY 30 H GLY 30 3.116 3.996 -2.268 212 HA2 GLY 30 HA2 GLY 30 2.522 5.480 0.051 213 HA3 GLY 30 HA1 GLY 30 3.205 6.138 -1.433 214 H TYR 31 H TYR 31 0.931 5.149 -3.010 215 HA TYR 31 HA TYR 31 -0.974 7.095 -2.052 216 HB2 TYR 31 HB2 TYR 31 -1.881 7.239 -4.353 217 HB3 TYR 31 HB1 TYR 31 -0.236 7.819 -4.086 218 HD1 TYR 31 HD1 TYR 31 1.610 6.867 -5.277 219 HD2 TYR 31 HD2 TYR 31 -2.287 5.208 -5.640 220 HE1 TYR 31 HE1 TYR 31 2.336 5.644 -7.212 221 HE2 TYR 31 HE2 TYR 31 -1.575 3.945 -7.585 222 HH TYR 31 HH TYR 31 1.724 3.633 -8.520 223 H TYR 32 H TYR 32 -0.702 3.865 -3.052 224 HA TYR 32 HA TYR 32 -3.474 3.306 -2.974 225 HB2 TYR 32 HB2 TYR 32 -1.123 1.429 -2.918 226 HB3 TYR 32 HB1 TYR 32 -2.741 0.819 -2.647 227 HD1 TYR 32 HD1 TYR 32 -4.370 2.308 -4.475 228 HD2 TYR 32 HD2 TYR 32 -0.455 0.752 -5.021 229 HE1 TYR 32 HE1 TYR 32 -4.780 2.177 -6.838 230 HE2 TYR 32 HE2 TYR 32 -0.851 0.613 -7.440 231 HH TYR 32 HH TYR 32 -2.809 0.431 -8.944 232 H CYS 33 H CYS 33 -1.046 2.468 -0.477 233 HA CYS 33 HA CYS 33 -3.254 2.726 1.399 234 HB2 CYS 33 HB2 CYS 33 -1.449 0.329 1.297 235 HB3 CYS 33 HB1 CYS 33 -2.688 0.633 2.522 236 HA PRO 34 HA PRO 34 0.678 4.778 2.637 237 HB2 PRO 34 HB2 PRO 34 -0.345 7.206 3.129 238 HB3 PRO 34 HB1 PRO 34 0.081 6.673 1.497 239 HG2 PRO 34 HG2 PRO 34 -2.602 6.723 2.823 240 HG3 PRO 34 HG1 PRO 34 -2.167 7.239 1.189 241 HD2 PRO 34 HD2 PRO 34 -3.293 4.867 1.722 242 HD3 PRO 34 HD1 PRO 34 -2.155 5.100 0.379 243 H VAL 35 H VAL 35 -2.440 4.540 4.111 244 HA VAL 35 HA VAL 35 -1.357 5.441 6.597 245 HB VAL 35 HB VAL 35 -4.133 4.385 6.055 246 HG11 VAL 35 HG11 VAL 35 -4.731 5.421 8.188 247 HG12 VAL 35 HG12 VAL 35 -3.051 5.907 8.416 248 HG13 VAL 35 3HG1 VAL 35 -3.476 4.196 8.408 249 HG21 VAL 35 HG21 VAL 35 -3.669 6.380 4.778 250 HG22 VAL 35 HG22 VAL 35 -3.066 7.193 6.215 251 HG23 VAL 35 HG23 VAL 35 -4.780 6.777 6.096 252 H THR 36 H THR 36 -2.608 2.511 5.143 253 HA THR 36 HA THR 36 -2.481 0.740 7.259 254 HB THR 36 HB THR 36 -1.878 0.095 4.370 255 HG1 THR 36 HG1 THR 36 -3.840 1.163 4.530 256 HG21 THR 36 HG21 THR 36 -2.762 -2.146 4.931 257 HG22 THR 36 HG22 THR 36 -2.998 -1.637 6.601 258 HG23 THR 36 HG23 THR 36 -1.370 -1.754 5.937 259 H CYS 37 H CYS 37 0.175 1.362 4.897 260 HA CYS 37 HA CYS 37 1.793 -0.315 6.619 261 HB2 CYS 37 HB2 CYS 37 2.416 0.822 3.913 262 HB3 CYS 37 HB1 CYS 37 3.479 -0.256 4.822 263 H GLY 38 H GLY 38 1.005 2.665 6.962 264 HA2 GLY 38 HA2 GLY 38 1.860 4.103 8.551 265 HA3 GLY 38 HA1 GLY 38 3.271 3.066 8.646 266 H PHE 39 H PHE 39 2.011 4.823 5.840 267 HA PHE 39 HA PHE 39 4.578 6.154 5.536 268 HB2 PHE 39 HB2 PHE 39 1.996 6.375 3.942 269 HB3 PHE 39 HB1 PHE 39 3.488 7.195 3.532 270 HD1 PHE 39 HD1 PHE 39 5.090 6.145 2.229 271 HD2 PHE 39 HD2 PHE 39 1.916 3.854 3.849 272 HE1 PHE 39 HE1 PHE 39 5.740 4.256 0.790 273 HE2 PHE 39 HE2 PHE 39 2.556 1.952 2.396 274 HZ PHE 39 HZ PHE 39 4.469 2.160 0.882 275 HA CYS 40 HA CYS 40 1.764 9.114 7.711 276 HB2 CYS 40 HB2 CYS 40 0.226 10.615 6.282 277 HB3 CYS 40 HB1 CYS 40 1.874 10.367 5.710 278 HN1 NH2 41 H1 CYS 40 0.690 7.868 9.226 279 HN2 NH2 41 H2 CYS 40 -1.008 7.553 9.171 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 -4.162 17.050 -0.326 2 H2 GLU 1 HT2 GLU 1 -3.563 16.932 -1.894 3 H3 GLU 1 HT3 GLU 1 -2.848 16.045 -0.628 4 HA GLU 1 HA GLU 1 -5.581 15.658 -1.617 5 HB2 GLU 1 HB2 GLU 1 -4.831 13.570 -2.544 6 HB3 GLU 1 HB1 GLU 1 -3.715 14.788 -3.133 7 HG2 GLU 1 HG2 GLU 1 -3.177 12.879 -0.847 8 HG3 GLU 1 HG1 GLU 1 -2.641 12.641 -2.503 9 H HIS 2 H HIS 2 -6.427 13.601 -0.635 10 HA HIS 2 HA HIS 2 -5.743 13.497 2.193 11 HB2 HIS 2 HB2 HIS 2 -7.848 11.963 0.632 12 HB3 HIS 2 HB1 HIS 2 -7.677 11.994 2.378 13 HD1 HIS 2 HD1 HIS 2 -9.905 13.203 0.015 14 HD2 HIS 2 HD2 HIS 2 -7.836 15.022 3.125 15 HE1 HIS 2 HE1 HIS 2 -11.190 15.281 0.578 16 H CYS 3 H CYS 3 -3.995 12.191 2.587 17 HA CYS 3 HA CYS 3 -3.605 9.964 0.831 18 HB2 CYS 3 HB2 CYS 3 -1.581 9.436 2.124 19 HB3 CYS 3 HB1 CYS 3 -1.602 11.119 1.636 20 H ALA 4 H ALA 4 -4.904 8.366 0.994 21 HA ALA 4 HA ALA 4 -5.321 7.091 3.554 22 HB1 ALA 4 HB1 ALA 4 -7.189 8.660 3.385 23 HB2 ALA 4 HB2 ALA 4 -7.747 6.993 3.231 24 HB3 ALA 4 HB3 ALA 4 -7.599 8.009 1.798 25 H ASP 5 H ASP 5 -5.629 4.974 3.348 26 HA ASP 5 HA ASP 5 -4.695 3.618 1.087 27 HB2 ASP 5 HB2 ASP 5 -6.531 2.425 3.167 28 HB3 ASP 5 HB1 ASP 5 -5.277 1.612 2.240 29 H GLU 6 H GLU 6 -5.626 2.829 -0.654 30 HA GLU 6 HA GLU 6 -8.069 3.892 -1.523 31 HB2 GLU 6 HB2 GLU 6 -6.207 3.399 -3.025 32 HB3 GLU 6 HB1 GLU 6 -6.348 1.689 -2.661 33 HG2 GLU 6 HG2 GLU 6 -7.276 2.262 -4.815 34 HG3 GLU 6 HG1 GLU 6 -8.494 1.599 -3.723 35 H LYS 7 H LYS 7 -10.082 3.091 -1.543 36 HA LYS 7 HA LYS 7 -10.608 0.882 0.180 37 HB2 LYS 7 HB2 LYS 7 -12.962 1.513 -0.214 38 HB3 LYS 7 HB1 LYS 7 -11.961 2.786 0.469 39 HG2 LYS 7 HG2 LYS 7 -11.757 3.774 -1.794 40 HG3 LYS 7 HG1 LYS 7 -12.856 2.534 -2.397 41 HD2 LYS 7 HD2 LYS 7 -13.487 4.444 -0.188 42 HD3 LYS 7 HD1 LYS 7 -13.965 4.711 -1.875 43 HE2 LYS 7 HE2 LYS 7 -15.185 2.565 -1.788 44 HE3 LYS 7 HE1 LYS 7 -14.731 2.421 -0.093 45 HZ1 LYS 7 HZ1 LYS 7 -16.016 4.381 0.427 46 HZ2 LYS 7 HZ2 LYS 7 -16.982 3.281 -0.405 47 HZ3 LYS 7 HZ3 LYS 7 -16.393 4.623 -1.209 48 H ASN 8 H ASN 8 -10.150 1.276 -3.085 49 HA ASN 8 HA ASN 8 -11.807 -1.030 -3.871 50 HB2 ASN 8 HB2 ASN 8 -9.955 0.634 -5.604 51 HB3 ASN 8 HB1 ASN 8 -11.111 -0.557 -6.174 52 HD21 ASN 8 HD21 ASN 8 -10.896 2.141 -6.948 53 HD22 ASN 8 HD22 ASN 8 -12.374 2.941 -6.547 54 H PHE 9 H PHE 9 -9.068 -0.710 -2.351 55 HA PHE 9 HA PHE 9 -7.603 -2.907 -3.679 56 HB2 PHE 9 HB2 PHE 9 -6.748 -0.488 -3.930 57 HB3 PHE 9 HB1 PHE 9 -6.444 -0.559 -2.202 58 HD1 PHE 9 HD1 PHE 9 -4.374 -1.220 -1.508 59 HD2 PHE 9 HD2 PHE 9 -5.815 -2.470 -5.288 60 HE1 PHE 9 HE1 PHE 9 -2.205 -2.238 -1.986 61 HE2 PHE 9 HE2 PHE 9 -3.703 -3.492 -5.792 62 HZ PHE 9 HZ PHE 9 -1.824 -3.363 -4.120 63 H ASP 10 H ASP 10 -6.697 -4.329 -2.051 64 HA ASP 10 HA ASP 10 -7.710 -3.744 0.640 65 HB2 ASP 10 HB2 ASP 10 -8.408 -5.957 -0.424 66 HB3 ASP 10 HB1 ASP 10 -6.724 -6.454 -0.277 67 H CYS 11 H CYS 11 -6.226 -2.597 1.553 68 HA CYS 11 HA CYS 11 -3.471 -2.952 1.053 69 HB2 CYS 11 HB2 CYS 11 -4.996 -1.192 2.933 70 HB3 CYS 11 HB1 CYS 11 -3.233 -1.194 2.835 71 H ARG 12 H ARG 12 -5.622 -4.239 3.408 72 HA ARG 12 HA ARG 12 -3.604 -4.830 5.346 73 HB2 ARG 12 HB2 ARG 12 -6.279 -6.157 4.912 74 HB3 ARG 12 HB1 ARG 12 -5.241 -6.401 6.307 75 HG2 ARG 12 HG2 ARG 12 -6.634 -3.859 5.511 76 HG3 ARG 12 HG1 ARG 12 -7.029 -4.915 6.863 77 HD2 ARG 12 HD2 ARG 12 -4.766 -4.429 7.802 78 HD3 ARG 12 HD1 ARG 12 -4.533 -3.266 6.500 79 HE ARG 12 HE ARG 12 -6.615 -3.080 8.555 80 HH11 ARG 12 HH11 ARG 12 -4.407 -1.452 6.267 81 HH12 ARG 12 HH12 ARG 12 -4.774 0.088 6.835 82 HH21 ARG 12 HH21 ARG 12 -7.068 -0.931 9.324 83 HH22 ARG 12 HH22 ARG 12 -6.300 0.403 8.621 84 H ARG 13 H ARG 13 -5.219 -6.684 2.841 85 HA ARG 13 HA ARG 13 -3.703 -9.015 3.182 86 HB2 ARG 13 HB2 ARG 13 -5.826 -8.950 1.929 87 HB3 ARG 13 HB1 ARG 13 -5.051 -8.003 0.670 88 HG2 ARG 13 HG2 ARG 13 -3.571 -9.860 0.155 89 HG3 ARG 13 HG1 ARG 13 -4.297 -10.808 1.454 90 HD2 ARG 13 HD2 ARG 13 -5.264 -11.489 -0.637 91 HD3 ARG 13 HD1 ARG 13 -6.474 -10.629 0.309 92 HE ARG 13 HE ARG 13 -4.979 -9.105 -1.644 93 HH11 ARG 13 HH11 ARG 13 -8.034 -10.592 -0.709 94 HH12 ARG 13 HH12 ARG 13 -8.908 -10.025 -2.050 95 HH21 ARG 13 HH21 ARG 13 -6.204 -8.297 -3.525 96 HH22 ARG 13 HH22 ARG 13 -7.855 -8.694 -3.656 97 H SER 14 H SER 14 -3.239 -6.219 1.034 98 HA SER 14 HA SER 14 -0.977 -7.177 -0.311 99 HB2 SER 14 HB2 SER 14 -1.681 -4.307 0.342 100 HB3 SER 14 HB1 SER 14 -0.586 -4.842 -0.938 101 HG SER 14 HG SER 14 -3.350 -4.873 -0.835 102 H LEU 15 H LEU 15 -1.298 -5.544 2.778 103 HA LEU 15 HA LEU 15 1.409 -5.159 3.339 104 HB2 LEU 15 HB2 LEU 15 -0.390 -4.140 4.641 105 HB3 LEU 15 HB1 LEU 15 -0.921 -5.717 5.174 106 HG LEU 15 HG LEU 15 1.197 -5.987 6.421 107 HD11 LEU 15 HD11 LEU 15 2.644 -4.046 6.756 108 HD12 LEU 15 HD12 LEU 15 1.701 -3.146 5.559 109 HD13 LEU 15 HD13 LEU 15 2.607 -4.582 5.076 110 HD21 LEU 15 HD21 LEU 15 0.665 -4.383 8.190 111 HD22 LEU 15 HD22 LEU 15 -0.793 -5.130 7.529 112 HD23 LEU 15 HD23 LEU 15 -0.353 -3.485 7.063 113 H ARG 16 H ARG 16 -0.787 -7.849 3.956 114 HA ARG 16 HA ARG 16 1.158 -9.443 5.300 115 HB2 ARG 16 HB2 ARG 16 -1.464 -10.296 4.079 116 HB3 ARG 16 HB1 ARG 16 -0.510 -11.218 5.233 117 HG2 ARG 16 HG2 ARG 16 -1.879 -8.584 5.731 118 HG3 ARG 16 HG1 ARG 16 -2.356 -10.160 6.366 119 HD2 ARG 16 HD2 ARG 16 -0.319 -10.301 7.653 120 HD3 ARG 16 HD1 ARG 16 0.282 -8.818 6.917 121 HE ARG 16 HE ARG 16 -2.212 -8.538 8.256 122 HH11 ARG 16 HH11 ARG 16 1.331 -8.376 8.554 123 HH12 ARG 16 HH12 ARG 16 1.302 -7.410 9.953 124 HH21 ARG 16 HH21 ARG 16 -2.208 -7.190 10.217 125 HH22 ARG 16 HH22 ARG 16 -0.725 -6.745 10.923 126 H ASN 17 H ASN 17 0.119 -9.211 1.986 127 HA ASN 17 HA ASN 17 1.310 -11.598 0.998 128 HB2 ASN 17 HB2 ASN 17 1.023 -8.978 -0.470 129 HB3 ASN 17 HB1 ASN 17 1.366 -10.534 -1.187 130 HD21 ASN 17 HD21 ASN 17 -0.639 -8.677 -1.719 131 HD22 ASN 17 HD22 ASN 17 -2.173 -9.441 -1.521 132 H GLY 18 H GLY 18 2.463 -8.392 1.598 133 HA2 GLY 18 HA2 GLY 18 4.785 -8.091 2.202 134 HA3 GLY 18 HA1 GLY 18 5.188 -9.330 1.019 135 H ASP 19 H ASP 19 2.740 -7.280 -0.062 136 HA ASP 19 HA ASP 19 4.360 -6.154 -2.116 137 HB2 ASP 19 HB2 ASP 19 1.570 -5.438 -1.167 138 HB3 ASP 19 HB1 ASP 19 2.339 -4.682 -2.554 139 H CYS 20 H CYS 20 3.200 -5.146 0.937 140 HA CYS 20 HA CYS 20 4.185 -2.445 0.746 141 HB2 CYS 20 HB2 CYS 20 2.128 -3.002 1.980 142 HB3 CYS 20 HB1 CYS 20 3.067 -4.032 3.049 143 H ASP 21 H ASP 21 5.655 -5.361 1.197 144 HA ASP 21 HA ASP 21 7.660 -4.392 3.126 145 HB2 ASP 21 HB2 ASP 21 6.634 -6.495 3.728 146 HB3 ASP 21 HB1 ASP 21 6.882 -7.132 2.116 147 H ASN 22 H ASN 22 7.042 -4.845 -0.129 148 HA ASN 22 HA ASN 22 9.777 -5.380 -0.929 149 HB2 ASN 22 HB2 ASN 22 7.827 -6.430 -2.105 150 HB3 ASN 22 HB1 ASN 22 7.349 -4.831 -2.652 151 HD21 ASN 22 HD21 ASN 22 8.024 -7.117 -4.243 152 HD22 ASN 22 HD22 ASN 22 9.371 -6.673 -5.219 153 H ASP 23 H ASP 23 11.159 -3.810 -1.360 154 HA ASP 23 HA ASP 23 10.556 -1.091 -0.989 155 HB2 ASP 23 HB2 ASP 23 12.796 -0.591 -1.815 156 HB3 ASP 23 HB1 ASP 23 12.826 -1.920 -0.661 157 H ASP 24 H ASP 24 10.635 -3.042 -3.821 158 HA ASP 24 HA ASP 24 10.676 -0.960 -5.759 159 HB2 ASP 24 HB2 ASP 24 11.332 -3.249 -6.308 160 HB3 ASP 24 HB1 ASP 24 9.699 -3.803 -5.987 161 H LYS 25 H LYS 25 8.117 -2.459 -3.922 162 HA LYS 25 HA LYS 25 6.103 -1.277 -5.643 163 HB2 LYS 25 HB2 LYS 25 5.960 -3.186 -3.353 164 HB3 LYS 25 HB1 LYS 25 4.563 -2.556 -4.213 165 HG2 LYS 25 HG2 LYS 25 5.283 -3.575 -6.247 166 HG3 LYS 25 HG1 LYS 25 6.794 -4.100 -5.492 167 HD2 LYS 25 HD2 LYS 25 5.700 -5.503 -4.035 168 HD3 LYS 25 HD1 LYS 25 4.128 -4.813 -4.431 169 HE2 LYS 25 HE2 LYS 25 4.344 -5.722 -6.740 170 HE3 LYS 25 HE1 LYS 25 5.896 -6.430 -6.298 171 HZ1 LYS 25 HZ1 LYS 25 4.023 -8.001 -6.281 172 HZ2 LYS 25 HZ2 LYS 25 3.317 -7.142 -4.996 173 HZ3 LYS 25 HZ3 LYS 25 4.812 -7.909 -4.802 174 H LEU 26 H LEU 26 7.857 -0.349 -3.048 175 HA LEU 26 HA LEU 26 5.979 0.730 -1.317 176 HB2 LEU 26 HB2 LEU 26 8.761 1.710 -1.892 177 HB3 LEU 26 HB1 LEU 26 7.746 2.403 -0.643 178 HG LEU 26 HG LEU 26 8.682 -0.462 -0.751 179 HD11 LEU 26 HD11 LEU 26 9.531 1.825 1.024 180 HD12 LEU 26 HD12 LEU 26 10.498 1.090 -0.254 181 HD13 LEU 26 HD13 LEU 26 10.067 0.153 1.176 182 HD21 LEU 26 HD21 LEU 26 6.520 -0.298 0.347 183 HD22 LEU 26 HD22 LEU 26 7.106 1.027 1.350 184 HD23 LEU 26 HD23 LEU 26 7.781 -0.590 1.545 185 H LEU 27 H LEU 27 7.147 2.232 -4.370 186 HA LEU 27 HA LEU 27 6.003 4.709 -3.968 187 HB2 LEU 27 HB2 LEU 27 7.596 3.702 -5.746 188 HB3 LEU 27 HB1 LEU 27 6.127 3.253 -6.565 189 HG LEU 27 HG LEU 27 7.255 5.181 -7.381 190 HD11 LEU 27 HD11 LEU 27 5.235 6.680 -7.609 191 HD12 LEU 27 HD12 LEU 27 4.465 5.753 -6.320 192 HD13 LEU 27 HD13 LEU 27 4.853 4.975 -7.853 193 HD21 LEU 27 HD21 LEU 27 7.102 7.361 -6.214 194 HD22 LEU 27 HD22 LEU 27 8.103 6.172 -5.377 195 HD23 LEU 27 HD23 LEU 27 6.472 6.516 -4.804 196 H GLU 28 H GLU 28 4.740 1.672 -5.285 197 HA GLU 28 HA GLU 28 2.176 2.517 -6.080 198 HB2 GLU 28 HB2 GLU 28 3.054 -0.164 -4.976 199 HB3 GLU 28 HB1 GLU 28 1.547 0.136 -5.823 200 HG2 GLU 28 HG2 GLU 28 4.278 0.506 -7.019 201 HG3 GLU 28 HG1 GLU 28 3.290 -0.943 -7.204 202 H MET 29 H MET 29 3.560 1.540 -3.043 203 HA MET 29 HA MET 29 1.070 1.326 -1.618 204 HB2 MET 29 HB2 MET 29 3.922 1.445 -0.644 205 HB3 MET 29 HB1 MET 29 2.530 1.058 0.355 206 HG2 MET 29 HG2 MET 29 3.524 -0.580 -1.975 207 HG3 MET 29 HG1 MET 29 3.951 -0.864 -0.301 208 HE1 MET 29 HE1 MET 29 -0.029 -1.970 -2.385 209 HE2 MET 29 HE2 MET 29 1.491 -1.572 -3.181 210 HE3 MET 29 3HE MET 29 0.523 -0.301 -2.440 211 H GLY 30 H GLY 30 3.297 3.793 -2.411 212 HA2 GLY 30 HA2 GLY 30 2.824 5.596 -0.306 213 HA3 GLY 30 HA1 GLY 30 3.401 6.029 -1.907 214 H TYR 31 H TYR 31 1.018 4.865 -3.159 215 HA TYR 31 HA TYR 31 -0.840 6.890 -2.269 216 HB2 TYR 31 HB2 TYR 31 -1.780 7.027 -4.566 217 HB3 TYR 31 HB1 TYR 31 -0.123 7.592 -4.347 218 HD1 TYR 31 HD1 TYR 31 -2.311 5.426 -6.142 219 HD2 TYR 31 HD2 TYR 31 1.746 6.144 -5.160 220 HE1 TYR 31 HE1 TYR 31 -1.625 4.093 -8.048 221 HE2 TYR 31 HE2 TYR 31 2.473 4.805 -7.041 222 HH TYR 31 HH TYR 31 1.609 3.044 -8.559 223 H TYR 32 H TYR 32 -0.643 3.642 -3.357 224 HA TYR 32 HA TYR 32 -3.427 3.161 -3.065 225 HB2 TYR 32 HB2 TYR 32 -1.117 1.283 -3.365 226 HB3 TYR 32 HB1 TYR 32 -2.656 0.630 -2.849 227 HD1 TYR 32 HD1 TYR 32 -4.678 1.100 -4.267 228 HD2 TYR 32 HD2 TYR 32 -0.710 1.728 -5.625 229 HE1 TYR 32 HE1 TYR 32 -5.477 1.037 -6.573 230 HE2 TYR 32 HE2 TYR 32 -1.498 1.667 -7.948 231 HH TYR 32 HH TYR 32 -4.841 1.757 -8.691 232 H CYS 33 H CYS 33 -0.749 2.652 -0.778 233 HA CYS 33 HA CYS 33 -2.786 2.252 1.300 234 HB2 CYS 33 HB2 CYS 33 -0.336 0.534 0.903 235 HB3 CYS 33 HB1 CYS 33 -1.528 0.377 2.191 236 HA PRO 34 HA PRO 34 0.905 5.108 2.231 237 HB2 PRO 34 HB2 PRO 34 -0.458 7.355 2.882 238 HB3 PRO 34 HB1 PRO 34 0.003 6.962 1.221 239 HG2 PRO 34 HG2 PRO 34 -2.611 6.518 2.606 240 HG3 PRO 34 HG1 PRO 34 -2.321 7.196 1.001 241 HD2 PRO 34 HD2 PRO 34 -3.051 4.654 1.341 242 HD3 PRO 34 HD1 PRO 34 -1.907 5.115 0.063 243 H VAL 35 H VAL 35 -2.094 4.468 3.889 244 HA VAL 35 HA VAL 35 -0.949 5.428 6.343 245 HB VAL 35 HB VAL 35 -3.678 4.226 5.888 246 HG11 VAL 35 HG11 VAL 35 -2.574 5.754 8.244 247 HG12 VAL 35 HG12 VAL 35 -2.910 4.023 8.213 248 HG13 VAL 35 3HG1 VAL 35 -4.238 5.182 8.068 249 HG21 VAL 35 HG21 VAL 35 -2.781 7.083 6.129 250 HG22 VAL 35 HG22 VAL 35 -4.458 6.538 5.928 251 HG23 VAL 35 HG23 VAL 35 -3.263 6.270 4.650 252 H THR 36 H THR 36 -2.045 2.418 4.916 253 HA THR 36 HA THR 36 -1.515 0.714 7.062 254 HB THR 36 HB THR 36 -1.269 0.058 4.124 255 HG1 THR 36 HG1 THR 36 -3.253 1.008 4.500 256 HG21 THR 36 HG21 THR 36 -0.471 -1.718 5.626 257 HG22 THR 36 HG22 THR 36 -1.971 -2.193 4.828 258 HG23 THR 36 HG23 THR 36 -1.997 -1.658 6.508 259 H CYS 37 H CYS 37 0.606 1.836 4.464 260 HA CYS 37 HA CYS 37 2.793 0.289 5.494 261 HB2 CYS 37 HB2 CYS 37 2.544 2.122 3.153 262 HB3 CYS 37 HB1 CYS 37 4.035 1.248 3.545 263 H GLY 38 H GLY 38 1.571 3.188 6.455 264 HA2 GLY 38 HA2 GLY 38 2.415 4.574 8.086 265 HA3 GLY 38 HA1 GLY 38 3.919 3.684 8.014 266 H PHE 39 H PHE 39 2.315 5.503 5.429 267 HA PHE 39 HA PHE 39 4.674 7.208 5.131 268 HB2 PHE 39 HB2 PHE 39 2.096 7.014 3.539 269 HB3 PHE 39 HB1 PHE 39 3.365 8.175 3.194 270 HD1 PHE 39 HD1 PHE 39 5.228 7.577 1.919 271 HD2 PHE 39 HD2 PHE 39 2.542 4.591 3.283 272 HE1 PHE 39 HE1 PHE 39 6.325 5.950 0.440 273 HE2 PHE 39 HE2 PHE 39 3.655 2.932 1.780 274 HZ PHE 39 HZ PHE 39 5.533 3.624 0.377 275 HA CYS 40 HA CYS 40 1.646 10.058 6.936 276 HB2 CYS 40 HB2 CYS 40 -0.886 8.492 6.377 277 HB3 CYS 40 HB1 CYS 40 -0.790 10.212 6.745 278 HN1 NH2 41 H1 CYS 40 2.252 10.047 8.973 279 HN2 NH2 41 H2 CYS 40 1.586 9.071 10.241 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 -3.322 17.695 1.568 2 H2 GLU 1 HT2 GLU 1 -4.988 17.782 1.360 3 H3 GLU 1 HT3 GLU 1 -3.952 18.145 0.055 4 HA GLU 1 HA GLU 1 -4.922 15.982 -0.197 5 HB2 GLU 1 HB2 GLU 1 -2.676 16.221 -1.061 6 HB3 GLU 1 HB1 GLU 1 -1.994 15.987 0.541 7 HG2 GLU 1 HG2 GLU 1 -2.890 13.681 0.539 8 HG3 GLU 1 HG1 GLU 1 -3.426 13.927 -1.121 9 H HIS 2 H HIS 2 -6.076 14.600 0.951 10 HA HIS 2 HA HIS 2 -5.081 13.801 3.577 11 HB2 HIS 2 HB2 HIS 2 -7.476 14.545 3.441 12 HB3 HIS 2 HB1 HIS 2 -7.781 13.275 2.265 13 HD1 HIS 2 HD1 HIS 2 -7.836 13.918 5.868 14 HD2 HIS 2 HD2 HIS 2 -7.481 10.597 3.402 15 HE1 HIS 2 HE1 HIS 2 -8.322 11.919 7.318 16 H CYS 3 H CYS 3 -3.787 12.108 3.431 17 HA CYS 3 HA CYS 3 -4.074 10.323 1.199 18 HB2 CYS 3 HB2 CYS 3 -1.974 9.288 2.116 19 HB3 CYS 3 HB1 CYS 3 -1.823 10.979 1.661 20 H ALA 4 H ALA 4 -5.099 8.467 1.281 21 HA ALA 4 HA ALA 4 -5.414 7.064 3.792 22 HB1 ALA 4 HB1 ALA 4 -7.824 6.728 3.392 23 HB2 ALA 4 HB2 ALA 4 -7.747 7.814 2.007 24 HB3 ALA 4 HB3 ALA 4 -7.449 8.433 3.632 25 H ASP 5 H ASP 5 -6.030 4.820 3.375 26 HA ASP 5 HA ASP 5 -4.729 3.803 1.045 27 HB2 ASP 5 HB2 ASP 5 -6.579 2.312 2.925 28 HB3 ASP 5 HB1 ASP 5 -5.469 1.588 1.777 29 H GLU 6 H GLU 6 -5.610 2.787 -0.733 30 HA GLU 6 HA GLU 6 -8.026 3.860 -1.724 31 HB2 GLU 6 HB2 GLU 6 -6.246 3.337 -3.261 32 HB3 GLU 6 HB1 GLU 6 -6.141 1.692 -2.683 33 HG2 GLU 6 HG2 GLU 6 -7.126 1.858 -4.886 34 HG3 GLU 6 HG1 GLU 6 -8.238 1.150 -3.721 35 H LYS 7 H LYS 7 -10.008 3.107 -1.558 36 HA LYS 7 HA LYS 7 -10.538 0.905 0.199 37 HB2 LYS 7 HB2 LYS 7 -12.870 1.485 -0.054 38 HB3 LYS 7 HB1 LYS 7 -11.885 2.895 0.306 39 HG2 LYS 7 HG2 LYS 7 -11.979 3.586 -2.023 40 HG3 LYS 7 HG1 LYS 7 -12.891 2.135 -2.427 41 HD2 LYS 7 HD2 LYS 7 -14.441 3.949 -2.202 42 HD3 LYS 7 HD1 LYS 7 -14.605 2.826 -0.842 43 HE2 LYS 7 HE2 LYS 7 -13.304 4.328 0.575 44 HE3 LYS 7 HE1 LYS 7 -13.113 5.447 -0.776 45 HZ1 LYS 7 HZ1 LYS 7 -14.874 6.132 0.701 46 HZ2 LYS 7 HZ2 LYS 7 -15.676 4.669 0.486 47 HZ3 LYS 7 HZ3 LYS 7 -15.496 5.737 -0.816 48 H ASN 8 H ASN 8 -10.209 1.237 -3.108 49 HA ASN 8 HA ASN 8 -11.752 -1.199 -3.688 50 HB2 ASN 8 HB2 ASN 8 -10.266 0.663 -5.558 51 HB3 ASN 8 HB1 ASN 8 -11.159 -0.759 -6.077 52 HD21 ASN 8 HD21 ASN 8 -11.378 2.443 -4.783 53 HD22 ASN 8 HD22 ASN 8 -13.050 2.685 -5.131 54 H PHE 9 H PHE 9 -8.928 -0.672 -2.417 55 HA PHE 9 HA PHE 9 -7.502 -2.877 -3.789 56 HB2 PHE 9 HB2 PHE 9 -6.603 -0.488 -4.051 57 HB3 PHE 9 HB1 PHE 9 -6.301 -0.546 -2.318 58 HD1 PHE 9 HD1 PHE 9 -5.638 -2.332 -5.449 59 HD2 PHE 9 HD2 PHE 9 -4.319 -1.429 -1.536 60 HE1 PHE 9 HE1 PHE 9 -3.571 -3.415 -5.935 61 HE2 PHE 9 HE2 PHE 9 -2.180 -2.525 -1.996 62 HZ PHE 9 HZ PHE 9 -1.765 -3.515 -4.198 63 H ASP 10 H ASP 10 -6.647 -4.377 -2.264 64 HA ASP 10 HA ASP 10 -7.616 -3.830 0.430 65 HB2 ASP 10 HB2 ASP 10 -8.331 -5.995 -0.754 66 HB3 ASP 10 HB1 ASP 10 -6.681 -6.546 -0.461 67 H CYS 11 H CYS 11 -6.088 -2.621 1.186 68 HA CYS 11 HA CYS 11 -3.334 -3.052 0.824 69 HB2 CYS 11 HB2 CYS 11 -4.873 -1.335 2.744 70 HB3 CYS 11 HB1 CYS 11 -3.117 -1.298 2.574 71 H ARG 12 H ARG 12 -5.579 -4.411 2.946 72 HA ARG 12 HA ARG 12 -3.765 -4.892 5.122 73 HB2 ARG 12 HB2 ARG 12 -6.229 -6.531 4.616 74 HB3 ARG 12 HB1 ARG 12 -5.536 -6.048 6.152 75 HG2 ARG 12 HG2 ARG 12 -7.121 -4.328 4.241 76 HG3 ARG 12 HG1 ARG 12 -7.601 -4.896 5.833 77 HD2 ARG 12 HD2 ARG 12 -5.913 -3.470 6.874 78 HD3 ARG 12 HD1 ARG 12 -5.340 -2.957 5.285 79 HE ARG 12 HE ARG 12 -8.137 -2.503 5.962 80 HH11 ARG 12 HH11 ARG 12 -4.914 -0.975 5.466 81 HH12 ARG 12 HH12 ARG 12 -5.530 0.574 5.312 82 HH21 ARG 12 HH21 ARG 12 -8.929 -0.283 5.781 83 HH22 ARG 12 HH22 ARG 12 -7.850 0.999 5.532 84 H ARG 13 H ARG 13 -5.149 -6.741 2.447 85 HA ARG 13 HA ARG 13 -3.816 -9.170 2.693 86 HB2 ARG 13 HB2 ARG 13 -5.684 -8.596 1.134 87 HB3 ARG 13 HB1 ARG 13 -4.534 -7.704 0.164 88 HG2 ARG 13 HG2 ARG 13 -3.291 -9.762 -0.269 89 HG3 ARG 13 HG1 ARG 13 -4.459 -10.661 0.705 90 HD2 ARG 13 HD2 ARG 13 -5.062 -9.095 -1.793 91 HD3 ARG 13 HD1 ARG 13 -4.965 -10.855 -1.670 92 HE ARG 13 HE ARG 13 -6.824 -10.072 0.192 93 HH11 ARG 13 HH11 ARG 13 -6.560 -9.777 -3.347 94 HH12 ARG 13 HH12 ARG 13 -8.228 -9.813 -3.625 95 HH21 ARG 13 HH21 ARG 13 -9.115 -10.062 -0.177 96 HH22 ARG 13 HH22 ARG 13 -9.730 -9.954 -1.761 97 H SER 14 H SER 14 -2.900 -6.274 0.801 98 HA SER 14 HA SER 14 -0.469 -7.263 -0.119 99 HB2 SER 14 HB2 SER 14 -1.368 -4.410 0.318 100 HB3 SER 14 HB1 SER 14 0.002 -4.890 -0.684 101 HG SER 14 HG SER 14 -1.317 -5.691 -2.161 102 H LEU 15 H LEU 15 -1.288 -5.701 2.917 103 HA LEU 15 HA LEU 15 1.355 -5.228 3.776 104 HB2 LEU 15 HB2 LEU 15 -0.598 -4.176 4.827 105 HB3 LEU 15 HB1 LEU 15 -1.129 -5.738 5.411 106 HG LEU 15 HG LEU 15 0.891 -5.878 6.828 107 HD11 LEU 15 HD11 LEU 15 1.407 -3.067 5.865 108 HD12 LEU 15 HD12 LEU 15 2.356 -4.500 5.482 109 HD13 LEU 15 HD13 LEU 15 2.292 -3.908 7.146 110 HD21 LEU 15 HD21 LEU 15 -0.751 -3.381 7.205 111 HD22 LEU 15 HD22 LEU 15 0.199 -4.185 8.454 112 HD23 LEU 15 HD23 LEU 15 -1.193 -5.004 7.738 113 H ARG 16 H ARG 16 -0.892 -7.868 4.363 114 HA ARG 16 HA ARG 16 0.753 -9.476 5.964 115 HB2 ARG 16 HB2 ARG 16 -1.554 -10.178 4.167 116 HB3 ARG 16 HB1 ARG 16 -0.800 -11.306 5.284 117 HG2 ARG 16 HG2 ARG 16 -1.474 -10.012 7.161 118 HG3 ARG 16 HG1 ARG 16 -2.028 -8.696 6.126 119 HD2 ARG 16 HD2 ARG 16 -3.869 -10.075 6.997 120 HD3 ARG 16 HD1 ARG 16 -3.786 -10.087 5.235 121 HE ARG 16 HE ARG 16 -2.349 -12.270 6.076 122 HH11 ARG 16 HH11 ARG 16 -5.678 -11.177 6.512 123 HH12 ARG 16 HH12 ARG 16 -6.331 -12.755 6.536 124 HH21 ARG 16 HH21 ARG 16 -3.246 -14.400 6.045 125 HH22 ARG 16 HH22 ARG 16 -4.921 -14.635 6.257 126 H ASN 17 H ASN 17 0.375 -9.342 2.469 127 HA ASN 17 HA ASN 17 2.073 -11.646 2.105 128 HB2 ASN 17 HB2 ASN 17 0.766 -9.809 0.116 129 HB3 ASN 17 HB1 ASN 17 1.888 -11.076 -0.365 130 HD21 ASN 17 HD21 ASN 17 -1.199 -10.377 0.996 131 HD22 ASN 17 HD22 ASN 17 -1.881 -11.950 0.785 132 H GLY 18 H GLY 18 2.573 -8.365 2.468 133 HA2 GLY 18 HA2 GLY 18 4.762 -7.614 3.031 134 HA3 GLY 18 HA1 GLY 18 5.423 -8.927 2.075 135 H ASP 19 H ASP 19 2.965 -7.342 0.431 136 HA ASP 19 HA ASP 19 4.718 -6.258 -1.561 137 HB2 ASP 19 HB2 ASP 19 1.791 -5.716 -1.004 138 HB3 ASP 19 HB1 ASP 19 2.642 -5.132 -2.426 139 H CYS 20 H CYS 20 3.037 -5.133 1.171 140 HA CYS 20 HA CYS 20 3.409 -2.333 0.865 141 HB2 CYS 20 HB2 CYS 20 1.590 -3.406 2.158 142 HB3 CYS 20 HB1 CYS 20 2.802 -4.014 3.277 143 H ASP 21 H ASP 21 5.552 -4.821 1.671 144 HA ASP 21 HA ASP 21 7.304 -3.005 3.203 145 HB2 ASP 21 HB2 ASP 21 6.602 -5.071 4.380 146 HB3 ASP 21 HB1 ASP 21 7.315 -6.028 3.090 147 H ASN 22 H ASN 22 6.764 -4.386 0.249 148 HA ASN 22 HA ASN 22 9.495 -5.053 -0.334 149 HB2 ASN 22 HB2 ASN 22 7.617 -6.432 -1.197 150 HB3 ASN 22 HB1 ASN 22 7.088 -5.058 -2.159 151 HD21 ASN 22 HD21 ASN 22 9.581 -7.398 -1.688 152 HD22 ASN 22 HD22 ASN 22 10.286 -7.284 -3.258 153 H ASP 23 H ASP 23 10.882 -3.616 -0.872 154 HA ASP 23 HA ASP 23 10.501 -0.902 -1.136 155 HB2 ASP 23 HB2 ASP 23 12.686 -1.906 -0.692 156 HB3 ASP 23 HB1 ASP 23 12.740 -2.540 -2.332 157 H ASP 24 H ASP 24 10.788 -3.273 -3.683 158 HA ASP 24 HA ASP 24 10.764 -1.581 -5.902 159 HB2 ASP 24 HB2 ASP 24 11.420 -3.912 -6.020 160 HB3 ASP 24 HB1 ASP 24 9.792 -4.412 -5.601 161 H LYS 25 H LYS 25 8.124 -2.780 -3.950 162 HA LYS 25 HA LYS 25 6.136 -1.935 -5.924 163 HB2 LYS 25 HB2 LYS 25 5.629 -3.252 -3.241 164 HB3 LYS 25 HB1 LYS 25 4.536 -3.118 -4.611 165 HG2 LYS 25 HG2 LYS 25 7.044 -4.729 -4.550 166 HG3 LYS 25 HG1 LYS 25 5.406 -5.341 -4.334 167 HD2 LYS 25 HD2 LYS 25 4.830 -4.591 -6.574 168 HD3 LYS 25 HD1 LYS 25 6.462 -3.944 -6.778 169 HE2 LYS 25 HE2 LYS 25 5.828 -6.765 -6.130 170 HE3 LYS 25 HE1 LYS 25 6.097 -6.199 -7.789 171 HZ1 LYS 25 HZ1 LYS 25 8.077 -6.087 -5.546 172 HZ2 LYS 25 HZ2 LYS 25 8.336 -5.512 -7.108 173 HZ3 LYS 25 HZ3 LYS 25 8.130 -7.156 -6.843 174 H LEU 26 H LEU 26 7.814 -0.580 -3.384 175 HA LEU 26 HA LEU 26 5.823 0.590 -1.857 176 HB2 LEU 26 HB2 LEU 26 8.650 1.488 -2.250 177 HB3 LEU 26 HB1 LEU 26 7.544 2.297 -1.159 178 HG LEU 26 HG LEU 26 8.482 -0.562 -0.959 179 HD11 LEU 26 HD11 LEU 26 9.014 1.843 0.776 180 HD12 LEU 26 HD12 LEU 26 10.162 1.087 -0.325 181 HD13 LEU 26 HD13 LEU 26 9.577 0.200 1.085 182 HD21 LEU 26 HD21 LEU 26 6.191 -0.416 -0.185 183 HD22 LEU 26 HD22 LEU 26 6.581 0.998 0.789 184 HD23 LEU 26 HD23 LEU 26 7.270 -0.573 1.201 185 H LEU 27 H LEU 27 7.129 1.881 -4.924 186 HA LEU 27 HA LEU 27 6.147 4.423 -4.727 187 HB2 LEU 27 HB2 LEU 27 7.556 3.110 -6.488 188 HB3 LEU 27 HB1 LEU 27 5.991 2.735 -7.168 189 HG LEU 27 HG LEU 27 7.219 4.489 -8.234 190 HD11 LEU 27 HD11 LEU 27 5.304 6.090 -8.479 191 HD12 LEU 27 HD12 LEU 27 4.585 5.390 -7.031 192 HD13 LEU 27 HD13 LEU 27 4.764 4.409 -8.487 193 HD21 LEU 27 HD21 LEU 27 6.702 6.072 -5.738 194 HD22 LEU 27 HD22 LEU 27 7.320 6.752 -7.245 195 HD23 LEU 27 HD23 LEU 27 8.263 5.548 -6.362 196 H GLU 28 H GLU 28 4.642 1.454 -5.927 197 HA GLU 28 HA GLU 28 2.108 2.520 -6.506 198 HB2 GLU 28 HB2 GLU 28 3.163 -0.255 -6.086 199 HB3 GLU 28 HB1 GLU 28 1.434 0.005 -6.200 200 HG2 GLU 28 HG2 GLU 28 2.477 -0.691 -8.330 201 HG3 GLU 28 HG1 GLU 28 1.644 0.852 -8.429 202 H MET 29 H MET 29 3.579 1.308 -3.605 203 HA MET 29 HA MET 29 1.094 0.986 -2.168 204 HB2 MET 29 HB2 MET 29 3.924 1.129 -1.116 205 HB3 MET 29 HB1 MET 29 2.515 0.689 -0.184 206 HG2 MET 29 HG2 MET 29 3.589 -0.899 -2.516 207 HG3 MET 29 HG1 MET 29 3.972 -1.225 -0.839 208 HE1 MET 29 HE1 MET 29 0.044 -2.282 -3.033 209 HE2 MET 29 HE2 MET 29 1.581 -1.879 -3.790 210 HE3 MET 29 3HE MET 29 0.604 -0.615 -3.054 211 H GLY 30 H GLY 30 3.331 3.517 -2.782 212 HA2 GLY 30 HA2 GLY 30 2.682 5.193 -0.622 213 HA3 GLY 30 HA1 GLY 30 3.351 5.741 -2.146 214 H TYR 31 H TYR 31 1.144 4.743 -3.734 215 HA TYR 31 HA TYR 31 -0.749 6.732 -2.872 216 HB2 TYR 31 HB2 TYR 31 -1.689 6.694 -5.211 217 HB3 TYR 31 HB1 TYR 31 -0.063 7.318 -4.957 218 HD1 TYR 31 HD1 TYR 31 -2.033 4.596 -6.401 219 HD2 TYR 31 HD2 TYR 31 1.833 6.281 -5.964 220 HE1 TYR 31 HE1 TYR 31 -1.225 3.216 -8.229 221 HE2 TYR 31 HE2 TYR 31 2.659 4.917 -7.762 222 HH TYR 31 HH TYR 31 2.135 2.906 -8.963 223 H TYR 32 H TYR 32 -0.648 3.423 -3.734 224 HA TYR 32 HA TYR 32 -3.455 3.026 -3.421 225 HB2 TYR 32 HB2 TYR 32 -1.189 1.054 -3.548 226 HB3 TYR 32 HB1 TYR 32 -2.785 0.510 -3.083 227 HD1 TYR 32 HD1 TYR 32 -0.633 0.882 -5.780 228 HD2 TYR 32 HD2 TYR 32 -4.699 1.422 -4.685 229 HE1 TYR 32 HE1 TYR 32 -1.291 0.722 -8.143 230 HE2 TYR 32 HE2 TYR 32 -5.370 1.263 -7.016 231 HH TYR 32 HH TYR 32 -3.316 0.157 -9.466 232 H CYS 33 H CYS 33 -0.768 2.617 -1.126 233 HA CYS 33 HA CYS 33 -2.797 2.351 0.973 234 HB2 CYS 33 HB2 CYS 33 -0.359 0.600 0.714 235 HB3 CYS 33 HB1 CYS 33 -1.605 0.517 1.956 236 HA PRO 34 HA PRO 34 0.857 5.250 1.889 237 HB2 PRO 34 HB2 PRO 34 -0.599 7.436 2.577 238 HB3 PRO 34 HB1 PRO 34 -0.057 7.109 0.926 239 HG2 PRO 34 HG2 PRO 34 -2.711 6.529 2.187 240 HG3 PRO 34 HG1 PRO 34 -2.382 7.272 0.617 241 HD2 PRO 34 HD2 PRO 34 -3.030 4.703 0.799 242 HD3 PRO 34 HD1 PRO 34 -1.798 5.242 -0.358 243 H VAL 35 H VAL 35 -2.130 4.451 3.441 244 HA VAL 35 HA VAL 35 -1.174 5.385 5.994 245 HB VAL 35 HB VAL 35 -3.778 4.015 5.318 246 HG11 VAL 35 HG11 VAL 35 -2.881 5.414 7.839 247 HG12 VAL 35 HG12 VAL 35 -3.127 3.679 7.661 248 HG13 VAL 35 3HG1 VAL 35 -4.504 4.783 7.540 249 HG21 VAL 35 HG21 VAL 35 -4.699 6.275 5.550 250 HG22 VAL 35 HG22 VAL 35 -3.470 6.154 4.266 251 HG23 VAL 35 HG23 VAL 35 -3.054 6.885 5.803 252 H THR 36 H THR 36 -2.115 2.315 4.544 253 HA THR 36 HA THR 36 -1.520 0.677 6.742 254 HB THR 36 HB THR 36 -1.287 -0.061 3.818 255 HG1 THR 36 HG1 THR 36 -3.363 0.868 4.662 256 HG21 THR 36 HG21 THR 36 -0.316 -1.732 5.325 257 HG22 THR 36 HG22 THR 36 -1.807 -2.324 4.586 258 HG23 THR 36 HG23 THR 36 -1.815 -1.757 6.256 259 H CYS 37 H CYS 37 0.566 1.717 4.078 260 HA CYS 37 HA CYS 37 2.777 0.225 5.124 261 HB2 CYS 37 HB2 CYS 37 2.521 2.100 2.819 262 HB3 CYS 37 HB1 CYS 37 3.991 1.175 3.168 263 H GLY 38 H GLY 38 1.504 3.042 6.141 264 HA2 GLY 38 HA2 GLY 38 2.332 4.486 7.732 265 HA3 GLY 38 HA1 GLY 38 3.839 3.596 7.679 266 H PHE 39 H PHE 39 2.217 5.420 5.094 267 HA PHE 39 HA PHE 39 4.600 7.095 4.786 268 HB2 PHE 39 HB2 PHE 39 2.046 6.864 3.169 269 HB3 PHE 39 HB1 PHE 39 3.322 8.004 2.807 270 HD1 PHE 39 HD1 PHE 39 2.333 4.499 2.801 271 HD2 PHE 39 HD2 PHE 39 5.327 7.305 1.742 272 HE1 PHE 39 HE1 PHE 39 3.428 2.807 1.305 273 HE2 PHE 39 HE2 PHE 39 6.409 5.643 0.292 274 HZ PHE 39 HZ PHE 39 5.451 3.395 0.080 275 HA CYS 40 HA CYS 40 1.547 9.946 6.601 276 HB2 CYS 40 HB2 CYS 40 -0.847 8.105 6.491 277 HB3 CYS 40 HB1 CYS 40 -0.857 9.864 6.606 278 HN1 NH2 41 H1 CYS 40 2.666 9.795 8.551 279 HN2 NH2 41 H2 CYS 40 1.994 9.090 9.972 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 -4.236 17.202 -0.617 2 H2 GLU 1 HT2 GLU 1 -3.241 17.037 -1.977 3 H3 GLU 1 HT3 GLU 1 -2.704 16.554 -0.444 4 HA GLU 1 HA GLU 1 -4.955 15.312 -1.855 5 HB2 GLU 1 HB2 GLU 1 -2.821 14.776 -2.946 6 HB3 GLU 1 HB1 GLU 1 -2.112 14.361 -1.394 7 HG2 GLU 1 HG2 GLU 1 -2.665 12.358 -2.648 8 HG3 GLU 1 HG1 GLU 1 -3.670 12.472 -1.206 9 H HIS 2 H HIS 2 -6.072 13.900 -0.639 10 HA HIS 2 HA HIS 2 -5.386 13.854 2.181 11 HB2 HIS 2 HB2 HIS 2 -7.943 13.034 0.760 12 HB3 HIS 2 HB1 HIS 2 -7.681 12.884 2.493 13 HD1 HIS 2 HD1 HIS 2 -8.264 14.928 3.892 14 HD2 HIS 2 HD2 HIS 2 -7.900 15.773 -0.155 15 HE1 HIS 2 HE1 HIS 2 -8.925 17.336 3.626 16 H CYS 3 H CYS 3 -4.202 12.257 2.807 17 HA CYS 3 HA CYS 3 -3.851 10.027 1.050 18 HB2 CYS 3 HB2 CYS 3 -1.998 9.441 2.635 19 HB3 CYS 3 HB1 CYS 3 -1.849 11.012 1.862 20 H ALA 4 H ALA 4 -5.410 8.581 1.164 21 HA ALA 4 HA ALA 4 -5.853 7.295 3.736 22 HB1 ALA 4 HB1 ALA 4 -8.246 7.074 3.185 23 HB2 ALA 4 HB2 ALA 4 -7.998 8.079 1.756 24 HB3 ALA 4 HB3 ALA 4 -7.764 8.760 3.365 25 H ASP 5 H ASP 5 -5.998 5.141 3.566 26 HA ASP 5 HA ASP 5 -4.873 3.779 1.402 27 HB2 ASP 5 HB2 ASP 5 -6.841 2.578 3.358 28 HB3 ASP 5 HB1 ASP 5 -5.594 1.734 2.453 29 H GLU 6 H GLU 6 -5.612 3.012 -0.441 30 HA GLU 6 HA GLU 6 -7.992 3.947 -1.533 31 HB2 GLU 6 HB2 GLU 6 -5.978 3.468 -2.829 32 HB3 GLU 6 HB1 GLU 6 -6.121 1.762 -2.454 33 HG2 GLU 6 HG2 GLU 6 -6.848 2.278 -4.705 34 HG3 GLU 6 HG1 GLU 6 -8.161 1.627 -3.718 35 H LYS 7 H LYS 7 -9.890 2.969 -1.992 36 HA LYS 7 HA LYS 7 -10.578 0.877 -0.114 37 HB2 LYS 7 HB2 LYS 7 -12.913 1.389 -0.645 38 HB3 LYS 7 HB1 LYS 7 -11.988 2.767 -0.068 39 HG2 LYS 7 HG2 LYS 7 -11.755 3.542 -2.384 40 HG3 LYS 7 HG1 LYS 7 -12.739 2.172 -2.905 41 HD2 LYS 7 HD2 LYS 7 -14.160 4.100 -2.731 42 HD3 LYS 7 HD1 LYS 7 -14.513 2.942 -1.430 43 HE2 LYS 7 HE2 LYS 7 -13.287 4.268 0.163 44 HE3 LYS 7 HE1 LYS 7 -12.757 5.367 -1.109 45 HZ1 LYS 7 HZ1 LYS 7 -15.555 4.991 -0.178 46 HZ2 LYS 7 HZ2 LYS 7 -15.056 6.027 -1.415 47 HZ3 LYS 7 HZ3 LYS 7 -14.546 6.304 0.144 48 H ASN 8 H ASN 8 -10.191 1.201 -3.451 49 HA ASN 8 HA ASN 8 -11.422 -1.437 -3.862 50 HB2 ASN 8 HB2 ASN 8 -11.121 -1.160 -6.288 51 HB3 ASN 8 HB1 ASN 8 -11.959 0.221 -5.608 52 HD21 ASN 8 HD21 ASN 8 -11.052 2.196 -5.784 53 HD22 ASN 8 HD22 ASN 8 -9.600 2.517 -6.651 54 H PHE 9 H PHE 9 -8.740 -0.559 -2.665 55 HA PHE 9 HA PHE 9 -7.061 -2.685 -3.866 56 HB2 PHE 9 HB2 PHE 9 -6.288 -0.244 -4.029 57 HB3 PHE 9 HB1 PHE 9 -6.171 -0.301 -2.271 58 HD1 PHE 9 HD1 PHE 9 -5.046 -1.949 -5.327 59 HD2 PHE 9 HD2 PHE 9 -4.278 -1.162 -1.249 60 HE1 PHE 9 HE1 PHE 9 -2.884 -2.967 -5.571 61 HE2 PHE 9 HE2 PHE 9 -2.064 -2.182 -1.458 62 HZ PHE 9 HZ PHE 9 -1.334 -3.089 -3.622 63 H ASP 10 H ASP 10 -6.411 -4.216 -2.358 64 HA ASP 10 HA ASP 10 -7.530 -3.823 0.317 65 HB2 ASP 10 HB2 ASP 10 -7.937 -5.989 -0.964 66 HB3 ASP 10 HB1 ASP 10 -6.239 -6.359 -0.668 67 H CYS 11 H CYS 11 -6.250 -2.760 1.547 68 HA CYS 11 HA CYS 11 -3.426 -2.772 1.248 69 HB2 CYS 11 HB2 CYS 11 -5.165 -1.559 3.377 70 HB3 CYS 11 HB1 CYS 11 -3.435 -1.280 3.200 71 H ARG 12 H ARG 12 -5.629 -4.562 3.259 72 HA ARG 12 HA ARG 12 -3.679 -5.126 5.290 73 HB2 ARG 12 HB2 ARG 12 -6.195 -6.687 4.699 74 HB3 ARG 12 HB1 ARG 12 -5.267 -6.732 6.183 75 HG2 ARG 12 HG2 ARG 12 -7.060 -4.568 5.141 76 HG3 ARG 12 HG1 ARG 12 -7.168 -5.474 6.644 77 HD2 ARG 12 HD2 ARG 12 -5.160 -3.338 5.916 78 HD3 ARG 12 HD1 ARG 12 -6.413 -3.240 7.145 79 HE ARG 12 HE ARG 12 -4.730 -5.372 7.782 80 HH11 ARG 12 HH11 ARG 12 -4.622 -1.835 7.634 81 HH12 ARG 12 HH12 ARG 12 -3.349 -1.701 8.762 82 HH21 ARG 12 HH21 ARG 12 -2.982 -5.180 9.256 83 HH22 ARG 12 HH22 ARG 12 -2.356 -3.655 9.690 84 H ARG 13 H ARG 13 -5.068 -6.851 2.596 85 HA ARG 13 HA ARG 13 -3.639 -9.247 2.729 86 HB2 ARG 13 HB2 ARG 13 -5.544 -8.789 1.207 87 HB3 ARG 13 HB1 ARG 13 -4.493 -7.750 0.260 88 HG2 ARG 13 HG2 ARG 13 -2.999 -9.805 0.000 89 HG3 ARG 13 HG1 ARG 13 -4.400 -10.717 0.575 90 HD2 ARG 13 HD2 ARG 13 -4.450 -10.681 -1.820 91 HD3 ARG 13 HD1 ARG 13 -5.745 -9.648 -1.201 92 HE ARG 13 HE ARG 13 -3.177 -8.499 -1.990 93 HH11 ARG 13 HH11 ARG 13 -6.701 -8.658 -2.423 94 HH12 ARG 13 HH12 ARG 13 -6.744 -7.350 -3.512 95 HH21 ARG 13 HH21 ARG 13 -3.252 -6.714 -3.472 96 HH22 ARG 13 HH22 ARG 13 -4.742 -6.230 -4.132 97 H SER 14 H SER 14 -2.960 -6.280 0.901 98 HA SER 14 HA SER 14 -0.590 -7.111 -0.268 99 HB2 SER 14 HB2 SER 14 -1.479 -4.321 0.469 100 HB3 SER 14 HB1 SER 14 -0.231 -4.708 -0.715 101 HG SER 14 HG SER 14 -2.991 -4.915 -0.898 102 H LEU 15 H LEU 15 -1.157 -5.641 2.879 103 HA LEU 15 HA LEU 15 1.561 -5.179 3.495 104 HB2 LEU 15 HB2 LEU 15 -0.363 -4.079 4.607 105 HB3 LEU 15 HB1 LEU 15 -0.777 -5.610 5.349 106 HG LEU 15 HG LEU 15 1.409 -5.581 6.519 107 HD11 LEU 15 HD11 LEU 15 2.656 -3.479 6.613 108 HD12 LEU 15 HD12 LEU 15 1.590 -2.798 5.379 109 HD13 LEU 15 HD13 LEU 15 2.627 -4.174 4.993 110 HD21 LEU 15 HD21 LEU 15 -0.380 -3.205 6.985 111 HD22 LEU 15 HD22 LEU 15 0.772 -3.870 8.142 112 HD23 LEU 15 HD23 LEU 15 -0.616 -4.832 7.622 113 H ARG 16 H ARG 16 -0.723 -7.816 4.279 114 HA ARG 16 HA ARG 16 1.034 -9.361 5.789 115 HB2 ARG 16 HB2 ARG 16 -1.561 -9.287 5.533 116 HB3 ARG 16 HB1 ARG 16 -1.288 -10.398 4.205 117 HG2 ARG 16 HG2 ARG 16 -0.361 -10.832 6.998 118 HG3 ARG 16 HG1 ARG 16 -1.904 -11.418 6.374 119 HD2 ARG 16 HD2 ARG 16 0.833 -12.168 5.315 120 HD3 ARG 16 HD1 ARG 16 -0.139 -13.182 6.381 121 HE ARG 16 HE ARG 16 -1.818 -12.838 4.400 122 HH11 ARG 16 HH11 ARG 16 1.629 -13.632 4.267 123 HH12 ARG 16 HH12 ARG 16 1.555 -14.512 2.822 124 HH21 ARG 16 HH21 ARG 16 -1.975 -14.105 2.449 125 HH22 ARG 16 HH22 ARG 16 -0.592 -14.808 1.752 126 H ASN 17 H ASN 17 0.243 -9.206 2.384 127 HA ASN 17 HA ASN 17 1.518 -11.634 1.581 128 HB2 ASN 17 HB2 ASN 17 0.561 -9.239 0.040 129 HB3 ASN 17 HB1 ASN 17 1.503 -10.485 -0.752 130 HD21 ASN 17 HD21 ASN 17 -0.783 -11.274 1.774 131 HD22 ASN 17 HD22 ASN 17 -1.944 -12.009 0.724 132 H GLY 18 H GLY 18 2.566 -8.293 1.691 133 HA2 GLY 18 HA2 GLY 18 4.973 -8.072 2.278 134 HA3 GLY 18 HA1 GLY 18 5.261 -9.294 1.051 135 H ASP 19 H ASP 19 2.806 -7.254 0.092 136 HA ASP 19 HA ASP 19 4.277 -6.186 -2.071 137 HB2 ASP 19 HB2 ASP 19 1.577 -5.481 -0.943 138 HB3 ASP 19 HB1 ASP 19 2.221 -4.740 -2.402 139 H CYS 20 H CYS 20 3.610 -5.057 1.121 140 HA CYS 20 HA CYS 20 4.525 -2.361 0.474 141 HB2 CYS 20 HB2 CYS 20 2.490 -2.616 1.867 142 HB3 CYS 20 HB1 CYS 20 3.415 -3.500 3.062 143 H ASP 21 H ASP 21 5.933 -5.205 1.152 144 HA ASP 21 HA ASP 21 8.178 -3.929 2.597 145 HB2 ASP 21 HB2 ASP 21 7.170 -5.882 3.740 146 HB3 ASP 21 HB1 ASP 21 7.455 -6.859 2.310 147 H ASN 22 H ASN 22 7.089 -5.023 -0.322 148 HA ASN 22 HA ASN 22 9.630 -5.892 -1.372 149 HB2 ASN 22 HB2 ASN 22 7.584 -7.068 -1.999 150 HB3 ASN 22 HB1 ASN 22 6.923 -5.585 -2.673 151 HD21 ASN 22 HD21 ASN 22 7.600 -4.917 -4.638 152 HD22 ASN 22 HD22 ASN 22 8.616 -5.856 -5.672 153 H ASP 23 H ASP 23 11.024 -4.553 -2.194 154 HA ASP 23 HA ASP 23 10.861 -1.801 -2.019 155 HB2 ASP 23 HB2 ASP 23 12.966 -3.090 -2.111 156 HB3 ASP 23 HB1 ASP 23 12.720 -3.319 -3.839 157 H ASP 24 H ASP 24 10.413 -3.718 -4.949 158 HA ASP 24 HA ASP 24 10.207 -1.357 -6.536 159 HB2 ASP 24 HB2 ASP 24 9.613 -2.757 -8.446 160 HB3 ASP 24 HB1 ASP 24 11.003 -3.408 -7.597 161 H LYS 25 H LYS 25 7.916 -2.709 -4.466 162 HA LYS 25 HA LYS 25 5.714 -1.550 -6.009 163 HB2 LYS 25 HB2 LYS 25 5.813 -3.445 -3.694 164 HB3 LYS 25 HB1 LYS 25 4.335 -2.746 -4.329 165 HG2 LYS 25 HG2 LYS 25 4.596 -3.890 -6.392 166 HG3 LYS 25 HG1 LYS 25 6.227 -4.419 -5.954 167 HD2 LYS 25 HD2 LYS 25 5.449 -5.779 -4.243 168 HD3 LYS 25 HD1 LYS 25 3.852 -5.042 -4.290 169 HE2 LYS 25 HE2 LYS 25 3.464 -6.081 -6.492 170 HE3 LYS 25 HE1 LYS 25 5.093 -6.750 -6.469 171 HZ1 LYS 25 HZ1 LYS 25 2.900 -7.422 -4.582 172 HZ2 LYS 25 HZ2 LYS 25 4.466 -8.073 -4.531 173 HZ3 LYS 25 HZ3 LYS 25 3.467 -8.416 -5.826 174 H LEU 26 H LEU 26 7.841 -0.777 -3.572 175 HA LEU 26 HA LEU 26 6.323 0.193 -1.486 176 HB2 LEU 26 HB2 LEU 26 9.000 1.124 -2.477 177 HB3 LEU 26 HB1 LEU 26 8.272 1.711 -0.990 178 HG LEU 26 HG LEU 26 9.027 -1.136 -1.602 179 HD11 LEU 26 HD11 LEU 26 10.963 0.312 -1.324 180 HD12 LEU 26 HD12 LEU 26 10.787 -0.761 0.067 181 HD13 LEU 26 HD13 LEU 26 10.297 0.930 0.187 182 HD21 LEU 26 HD21 LEU 26 7.144 -1.043 -0.085 183 HD22 LEU 26 HD22 LEU 26 7.978 0.145 0.911 184 HD23 LEU 26 HD23 LEU 26 8.602 -1.499 0.795 185 H LEU 27 H LEU 27 7.456 2.190 -4.286 186 HA LEU 27 HA LEU 27 6.362 4.547 -3.468 187 HB2 LEU 27 HB2 LEU 27 7.977 3.916 -5.334 188 HB3 LEU 27 HB1 LEU 27 6.565 3.522 -6.272 189 HG LEU 27 HG LEU 27 7.681 5.610 -6.728 190 HD11 LEU 27 HD11 LEU 27 5.365 5.336 -7.454 191 HD12 LEU 27 HD12 LEU 27 5.577 7.003 -6.904 192 HD13 LEU 27 HD13 LEU 27 4.787 5.821 -5.861 193 HD21 LEU 27 HD21 LEU 27 7.276 7.576 -5.291 194 HD22 LEU 27 HD22 LEU 27 8.259 6.327 -4.517 195 HD23 LEU 27 HD23 LEU 27 6.557 6.506 -4.092 196 H GLU 28 H GLU 28 4.957 1.857 -5.300 197 HA GLU 28 HA GLU 28 2.491 3.049 -5.974 198 HB2 GLU 28 HB2 GLU 28 3.151 0.134 -5.529 199 HB3 GLU 28 HB1 GLU 28 1.686 0.734 -6.288 200 HG2 GLU 28 HG2 GLU 28 3.030 1.696 -8.093 201 HG3 GLU 28 HG1 GLU 28 4.487 1.063 -7.327 202 H MET 29 H MET 29 3.644 1.316 -3.195 203 HA MET 29 HA MET 29 1.095 1.015 -1.982 204 HB2 MET 29 HB2 MET 29 3.901 0.667 -0.978 205 HB3 MET 29 HB1 MET 29 2.501 0.387 0.053 206 HG2 MET 29 HG2 MET 29 3.259 -1.066 -2.473 207 HG3 MET 29 HG1 MET 29 3.280 -1.706 -0.834 208 HE1 MET 29 HE1 MET 29 0.991 -1.859 0.652 209 HE2 MET 29 HE2 MET 29 -0.616 -1.567 -0.028 210 HE3 MET 29 3HE MET 29 0.541 -0.239 0.124 211 H GLY 30 H GLY 30 3.485 3.396 -2.071 212 HA2 GLY 30 HA2 GLY 30 2.745 4.854 0.244 213 HA3 GLY 30 HA1 GLY 30 3.664 5.515 -1.088 214 H TYR 31 H TYR 31 1.409 4.744 -2.958 215 HA TYR 31 HA TYR 31 -0.329 6.874 -2.084 216 HB2 TYR 31 HB2 TYR 31 -1.208 7.022 -4.466 217 HB3 TYR 31 HB1 TYR 31 0.422 7.562 -4.113 218 HD1 TYR 31 HD1 TYR 31 -1.505 4.788 -5.630 219 HD2 TYR 31 HD2 TYR 31 2.224 6.761 -5.261 220 HE1 TYR 31 HE1 TYR 31 -0.648 3.508 -7.517 221 HE2 TYR 31 HE2 TYR 31 3.118 5.495 -7.109 222 HH TYR 31 HH TYR 31 2.738 3.566 -8.411 223 H TYR 32 H TYR 32 -0.449 3.647 -3.158 224 HA TYR 32 HA TYR 32 -3.251 3.398 -3.008 225 HB2 TYR 32 HB2 TYR 32 -1.070 1.360 -2.983 226 HB3 TYR 32 HB1 TYR 32 -2.705 0.871 -2.569 227 HD1 TYR 32 HD1 TYR 32 -0.448 1.142 -5.202 228 HD2 TYR 32 HD2 TYR 32 -4.527 1.825 -4.247 229 HE1 TYR 32 HE1 TYR 32 -1.036 0.960 -7.583 230 HE2 TYR 32 HE2 TYR 32 -5.127 1.645 -6.608 231 HH TYR 32 HH TYR 32 -4.061 1.926 -8.752 232 H CYS 33 H CYS 33 -0.802 2.720 -0.492 233 HA CYS 33 HA CYS 33 -3.032 2.883 1.375 234 HB2 CYS 33 HB2 CYS 33 -0.902 0.755 1.546 235 HB3 CYS 33 HB1 CYS 33 -2.296 0.976 2.602 236 HA PRO 34 HA PRO 34 0.624 5.485 2.500 237 HB2 PRO 34 HB2 PRO 34 -0.771 7.698 3.164 238 HB3 PRO 34 HB1 PRO 34 -0.310 7.324 1.495 239 HG2 PRO 34 HG2 PRO 34 -2.906 6.797 2.889 240 HG3 PRO 34 HG1 PRO 34 -2.645 7.542 1.308 241 HD2 PRO 34 HD2 PRO 34 -3.312 4.989 1.536 242 HD3 PRO 34 HD1 PRO 34 -2.146 5.509 0.299 243 H VAL 35 H VAL 35 -2.372 4.694 4.082 244 HA VAL 35 HA VAL 35 -1.335 5.643 6.586 245 HB VAL 35 HB VAL 35 -3.986 4.311 6.010 246 HG11 VAL 35 HG11 VAL 35 -2.998 5.739 8.479 247 HG12 VAL 35 HG12 VAL 35 -3.290 4.006 8.342 248 HG13 VAL 35 3HG1 VAL 35 -4.644 5.141 8.232 249 HG21 VAL 35 HG21 VAL 35 -4.871 6.593 6.180 250 HG22 VAL 35 HG22 VAL 35 -3.642 6.445 4.904 251 HG23 VAL 35 HG23 VAL 35 -3.222 7.185 6.436 252 H THR 36 H THR 36 -2.295 2.613 5.123 253 HA THR 36 HA THR 36 -1.642 0.856 7.210 254 HB THR 36 HB THR 36 -1.420 0.289 4.253 255 HG1 THR 36 HG1 THR 36 -3.426 1.249 4.690 256 HG21 THR 36 HG21 THR 36 -2.143 -1.482 6.597 257 HG22 THR 36 HG22 THR 36 -0.620 -1.511 5.708 258 HG23 THR 36 HG23 THR 36 -2.117 -1.981 4.905 259 H CYS 37 H CYS 37 0.359 2.195 4.607 260 HA CYS 37 HA CYS 37 2.623 0.695 5.562 261 HB2 CYS 37 HB2 CYS 37 2.200 2.400 3.137 262 HB3 CYS 37 HB1 CYS 37 3.777 1.714 3.552 263 H GLY 38 H GLY 38 1.311 3.268 6.786 264 HA2 GLY 38 HA2 GLY 38 2.106 4.692 8.392 265 HA3 GLY 38 HA1 GLY 38 3.653 3.899 8.228 266 H PHE 39 H PHE 39 1.874 5.834 5.848 267 HA PHE 39 HA PHE 39 4.140 7.698 5.784 268 HB2 PHE 39 HB2 PHE 39 1.793 7.369 3.887 269 HB3 PHE 39 HB1 PHE 39 3.050 8.584 3.709 270 HD1 PHE 39 HD1 PHE 39 2.239 5.045 3.471 271 HD2 PHE 39 HD2 PHE 39 5.228 7.993 2.937 272 HE1 PHE 39 HE1 PHE 39 3.613 3.432 2.161 273 HE2 PHE 39 HE2 PHE 39 6.601 6.410 1.650 274 HZ PHE 39 HZ PHE 39 5.787 4.124 1.263 275 HA CYS 40 HA CYS 40 0.797 10.095 7.614 276 HB2 CYS 40 HB2 CYS 40 -1.536 8.717 6.251 277 HB3 CYS 40 HB1 CYS 40 -1.586 10.297 7.030 278 HN1 NH2 41 H1 CYS 40 1.300 9.303 9.610 279 HN2 NH2 41 H2 CYS 40 0.250 8.305 10.551 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 -7.109 15.814 -0.700 2 H2 GLU 1 HT2 GLU 1 -6.104 14.992 -1.757 3 H3 GLU 1 HT3 GLU 1 -6.356 16.653 -1.962 4 HA GLU 1 HA GLU 1 -4.195 16.215 -1.035 5 HB2 GLU 1 HB2 GLU 1 -5.411 18.264 -0.230 6 HB3 GLU 1 HB1 GLU 1 -6.046 17.246 1.074 7 HG2 GLU 1 HG2 GLU 1 -4.192 18.648 1.850 8 HG3 GLU 1 HG1 GLU 1 -3.878 16.919 2.000 9 H HIS 2 H HIS 2 -6.679 15.353 1.386 10 HA HIS 2 HA HIS 2 -5.025 14.201 3.207 11 HB2 HIS 2 HB2 HIS 2 -7.399 14.829 3.583 12 HB3 HIS 2 HB1 HIS 2 -7.893 13.411 2.668 13 HD1 HIS 2 HD1 HIS 2 -6.856 14.501 6.043 14 HD2 HIS 2 HD2 HIS 2 -7.329 10.926 3.990 15 HE1 HIS 2 HE1 HIS 2 -6.875 12.698 7.788 16 H CYS 3 H CYS 3 -3.723 12.725 2.937 17 HA CYS 3 HA CYS 3 -3.975 10.656 1.011 18 HB2 CYS 3 HB2 CYS 3 -1.816 9.801 2.067 19 HB3 CYS 3 HB1 CYS 3 -1.773 11.414 1.364 20 H ALA 4 H ALA 4 -5.249 9.013 1.197 21 HA ALA 4 HA ALA 4 -5.422 7.552 3.724 22 HB1 ALA 4 HB1 ALA 4 -7.827 7.194 3.259 23 HB2 ALA 4 HB2 ALA 4 -7.710 8.322 1.906 24 HB3 ALA 4 HB3 ALA 4 -7.445 8.888 3.556 25 H ASP 5 H ASP 5 -6.127 5.301 3.322 26 HA ASP 5 HA ASP 5 -4.749 4.137 1.072 27 HB2 ASP 5 HB2 ASP 5 -6.796 2.723 2.762 28 HB3 ASP 5 HB1 ASP 5 -5.431 2.023 1.909 29 H GLU 6 H GLU 6 -5.602 3.051 -0.668 30 HA GLU 6 HA GLU 6 -7.948 4.257 -1.759 31 HB2 GLU 6 HB2 GLU 6 -5.707 3.239 -2.852 32 HB3 GLU 6 HB1 GLU 6 -6.729 1.822 -2.985 33 HG2 GLU 6 HG2 GLU 6 -7.313 4.538 -4.158 34 HG3 GLU 6 HG1 GLU 6 -6.715 3.134 -5.034 35 H LYS 7 H LYS 7 -9.841 3.059 -2.438 36 HA LYS 7 HA LYS 7 -10.751 1.420 -0.242 37 HB2 LYS 7 HB2 LYS 7 -12.958 1.801 -1.069 38 HB3 LYS 7 HB1 LYS 7 -12.069 3.314 -1.064 39 HG2 LYS 7 HG2 LYS 7 -11.623 2.894 -3.526 40 HG3 LYS 7 HG1 LYS 7 -12.819 1.607 -3.422 41 HD2 LYS 7 HD2 LYS 7 -14.031 3.468 -4.160 42 HD3 LYS 7 HD1 LYS 7 -14.330 3.349 -2.414 43 HE2 LYS 7 HE2 LYS 7 -13.890 5.670 -3.052 44 HE3 LYS 7 HE1 LYS 7 -12.642 5.051 -1.978 45 HZ1 LYS 7 HZ1 LYS 7 -11.204 4.698 -3.948 46 HZ2 LYS 7 HZ2 LYS 7 -11.692 6.302 -3.779 47 HZ3 LYS 7 HZ3 LYS 7 -12.435 5.329 -4.924 48 H ASN 8 H ASN 8 -10.093 1.017 -3.569 49 HA ASN 8 HA ASN 8 -11.408 -1.593 -3.736 50 HB2 ASN 8 HB2 ASN 8 -9.623 -0.274 -5.789 51 HB3 ASN 8 HB1 ASN 8 -10.632 -1.686 -6.047 52 HD21 ASN 8 HD21 ASN 8 -10.501 1.723 -5.763 53 HD22 ASN 8 HD22 ASN 8 -12.109 2.045 -6.312 54 H PHE 9 H PHE 9 -8.323 -0.209 -3.375 55 HA PHE 9 HA PHE 9 -6.782 -2.575 -3.913 56 HB2 PHE 9 HB2 PHE 9 -6.069 -0.110 -4.091 57 HB3 PHE 9 HB1 PHE 9 -5.890 -0.183 -2.337 58 HD1 PHE 9 HD1 PHE 9 -3.988 -1.132 -1.380 59 HD2 PHE 9 HD2 PHE 9 -4.846 -1.738 -5.477 60 HE1 PHE 9 HE1 PHE 9 -1.790 -2.166 -1.680 61 HE2 PHE 9 HE2 PHE 9 -2.696 -2.765 -5.807 62 HZ PHE 9 HZ PHE 9 -1.111 -2.979 -3.891 63 H ASP 10 H ASP 10 -6.384 -4.157 -2.505 64 HA ASP 10 HA ASP 10 -7.472 -3.909 0.186 65 HB2 ASP 10 HB2 ASP 10 -7.761 -5.971 -1.306 66 HB3 ASP 10 HB1 ASP 10 -6.079 -6.333 -0.933 67 H CYS 11 H CYS 11 -6.164 -2.824 1.466 68 HA CYS 11 HA CYS 11 -3.332 -2.932 1.165 69 HB2 CYS 11 HB2 CYS 11 -5.045 -1.606 3.254 70 HB3 CYS 11 HB1 CYS 11 -3.310 -1.378 3.067 71 H ARG 12 H ARG 12 -5.707 -4.474 3.160 72 HA ARG 12 HA ARG 12 -4.026 -5.350 5.270 73 HB2 ARG 12 HB2 ARG 12 -6.486 -6.708 4.134 74 HB3 ARG 12 HB1 ARG 12 -5.718 -7.122 5.656 75 HG2 ARG 12 HG2 ARG 12 -7.064 -4.515 4.985 76 HG3 ARG 12 HG1 ARG 12 -7.690 -5.781 6.034 77 HD2 ARG 12 HD2 ARG 12 -5.814 -5.456 7.558 78 HD3 ARG 12 HD1 ARG 12 -5.163 -4.209 6.498 79 HE ARG 12 HE ARG 12 -7.814 -3.616 7.247 80 HH11 ARG 12 HH11 ARG 12 -4.513 -3.603 8.469 81 HH12 ARG 12 HH12 ARG 12 -4.743 -2.315 9.557 82 HH21 ARG 12 HH21 ARG 12 -8.179 -1.876 8.762 83 HH22 ARG 12 HH22 ARG 12 -6.911 -1.308 9.738 84 H ARG 13 H ARG 13 -5.049 -6.944 2.308 85 HA ARG 13 HA ARG 13 -3.527 -9.295 2.474 86 HB2 ARG 13 HB2 ARG 13 -5.337 -8.839 0.827 87 HB3 ARG 13 HB1 ARG 13 -4.277 -7.694 0.029 88 HG2 ARG 13 HG2 ARG 13 -2.683 -9.616 -0.336 89 HG3 ARG 13 HG1 ARG 13 -3.990 -10.676 0.200 90 HD2 ARG 13 HD2 ARG 13 -4.067 -8.750 -2.104 91 HD3 ARG 13 HD1 ARG 13 -3.971 -10.510 -2.215 92 HE ARG 13 HE ARG 13 -6.209 -10.309 -0.897 93 HH11 ARG 13 HH11 ARG 13 -5.193 -8.216 -3.567 94 HH12 ARG 13 HH12 ARG 13 -6.775 -7.954 -4.142 95 HH21 ARG 13 HH21 ARG 13 -8.377 -9.914 -1.705 96 HH22 ARG 13 HH22 ARG 13 -8.628 -8.918 -3.070 97 H SER 14 H SER 14 -2.868 -6.257 0.834 98 HA SER 14 HA SER 14 -0.401 -7.037 -0.195 99 HB2 SER 14 HB2 SER 14 -1.424 -4.245 0.312 100 HB3 SER 14 HB1 SER 14 -0.153 -4.699 -0.830 101 HG SER 14 HG SER 14 -2.894 -4.984 -0.989 102 H LEU 15 H LEU 15 -1.152 -5.443 2.876 103 HA LEU 15 HA LEU 15 1.551 -4.898 3.511 104 HB2 LEU 15 HB2 LEU 15 -0.361 -3.801 4.626 105 HB3 LEU 15 HB1 LEU 15 -0.783 -5.329 5.372 106 HG LEU 15 HG LEU 15 1.437 -5.310 6.506 107 HD11 LEU 15 HD11 LEU 15 2.619 -3.850 5.022 108 HD12 LEU 15 HD12 LEU 15 2.642 -3.198 6.661 109 HD13 LEU 15 HD13 LEU 15 1.564 -2.503 5.447 110 HD21 LEU 15 HD21 LEU 15 -0.577 -4.644 7.657 111 HD22 LEU 15 HD22 LEU 15 -0.384 -2.984 7.083 112 HD23 LEU 15 HD23 LEU 15 0.799 -3.684 8.193 113 H ARG 16 H ARG 16 -0.651 -7.561 4.324 114 HA ARG 16 HA ARG 16 1.250 -8.956 5.916 115 HB2 ARG 16 HB2 ARG 16 -1.393 -9.780 4.723 116 HB3 ARG 16 HB1 ARG 16 -0.428 -10.819 5.761 117 HG2 ARG 16 HG2 ARG 16 -0.674 -9.323 7.612 118 HG3 ARG 16 HG1 ARG 16 -1.444 -8.110 6.588 119 HD2 ARG 16 HD2 ARG 16 -3.056 -9.380 7.983 120 HD3 ARG 16 HD1 ARG 16 -3.363 -9.529 6.257 121 HE ARG 16 HE ARG 16 -1.797 -11.679 6.865 122 HH11 ARG 16 HH11 ARG 16 -4.879 -10.513 8.211 123 HH12 ARG 16 HH12 ARG 16 -5.492 -12.090 8.447 124 HH21 ARG 16 HH21 ARG 16 -2.658 -13.784 7.232 125 HH22 ARG 16 HH22 ARG 16 -4.243 -13.970 7.875 126 H ASN 17 H ASN 17 0.398 -9.027 2.542 127 HA ASN 17 HA ASN 17 1.678 -11.517 1.949 128 HB2 ASN 17 HB2 ASN 17 0.691 -9.288 0.191 129 HB3 ASN 17 HB1 ASN 17 1.663 -10.589 -0.469 130 HD21 ASN 17 HD21 ASN 17 -0.658 -11.094 2.099 131 HD22 ASN 17 HD22 ASN 17 -1.781 -11.984 1.142 132 H GLY 18 H GLY 18 2.719 -8.215 2.012 133 HA2 GLY 18 HA2 GLY 18 5.121 -8.005 2.580 134 HA3 GLY 18 HA1 GLY 18 5.399 -9.247 1.380 135 H ASP 19 H ASP 19 2.973 -7.146 0.367 136 HA ASP 19 HA ASP 19 4.454 -6.193 -1.855 137 HB2 ASP 19 HB2 ASP 19 1.839 -5.237 -0.703 138 HB3 ASP 19 HB1 ASP 19 2.492 -4.711 -2.248 139 H CYS 20 H CYS 20 3.695 -4.883 1.250 140 HA CYS 20 HA CYS 20 4.551 -2.224 0.534 141 HB2 CYS 20 HB2 CYS 20 2.698 -2.665 2.154 142 HB3 CYS 20 HB1 CYS 20 3.871 -3.359 3.256 143 H ASP 21 H ASP 21 6.048 -5.074 1.484 144 HA ASP 21 HA ASP 21 8.440 -3.609 2.368 145 HB2 ASP 21 HB2 ASP 21 7.616 -5.353 3.930 146 HB3 ASP 21 HB1 ASP 21 7.765 -6.555 2.656 147 H ASN 22 H ASN 22 7.082 -4.712 -0.302 148 HA ASN 22 HA ASN 22 9.390 -5.985 -1.534 149 HB2 ASN 22 HB2 ASN 22 7.063 -6.791 -1.995 150 HB3 ASN 22 HB1 ASN 22 6.704 -5.236 -2.717 151 HD21 ASN 22 HD21 ASN 22 6.608 -7.912 -3.820 152 HD22 ASN 22 HD22 ASN 22 7.614 -7.908 -5.219 153 H ASP 23 H ASP 23 10.890 -4.815 -2.417 154 HA ASP 23 HA ASP 23 10.981 -2.048 -2.491 155 HB2 ASP 23 HB2 ASP 23 12.611 -4.081 -3.993 156 HB3 ASP 23 HB1 ASP 23 12.923 -2.355 -4.103 157 H ASP 24 H ASP 24 10.146 -4.250 -5.095 158 HA ASP 24 HA ASP 24 9.995 -2.292 -7.135 159 HB2 ASP 24 HB2 ASP 24 10.209 -4.599 -7.763 160 HB3 ASP 24 HB1 ASP 24 8.734 -5.025 -6.909 161 H LYS 25 H LYS 25 7.699 -3.316 -4.724 162 HA LYS 25 HA LYS 25 5.538 -1.919 -6.084 163 HB2 LYS 25 HB2 LYS 25 5.589 -3.689 -3.673 164 HB3 LYS 25 HB1 LYS 25 4.149 -2.981 -4.385 165 HG2 LYS 25 HG2 LYS 25 4.426 -4.238 -6.387 166 HG3 LYS 25 HG1 LYS 25 6.015 -4.808 -5.864 167 HD2 LYS 25 HD2 LYS 25 5.102 -6.031 -4.114 168 HD3 LYS 25 HD1 LYS 25 3.517 -5.288 -4.326 169 HE2 LYS 25 HE2 LYS 25 3.336 -6.382 -6.544 170 HE3 LYS 25 HE1 LYS 25 4.914 -7.123 -6.286 171 HZ1 LYS 25 HZ1 LYS 25 2.941 -8.570 -5.819 172 HZ2 LYS 25 HZ2 LYS 25 2.618 -7.582 -4.479 173 HZ3 LYS 25 HZ3 LYS 25 4.055 -8.454 -4.566 174 H LEU 26 H LEU 26 7.881 -1.186 -3.837 175 HA LEU 26 HA LEU 26 6.642 0.032 -1.702 176 HB2 LEU 26 HB2 LEU 26 9.164 0.849 -3.095 177 HB3 LEU 26 HB1 LEU 26 8.617 1.613 -1.614 178 HG LEU 26 HG LEU 26 9.322 -1.284 -1.965 179 HD11 LEU 26 HD11 LEU 26 11.272 0.202 -2.094 180 HD12 LEU 26 HD12 LEU 26 11.287 -0.713 -0.584 181 HD13 LEU 26 HD13 LEU 26 10.786 0.978 -0.588 182 HD21 LEU 26 HD21 LEU 26 8.605 0.287 0.500 183 HD22 LEU 26 HD22 LEU 26 9.181 -1.380 0.475 184 HD23 LEU 26 HD23 LEU 26 7.633 -0.973 -0.260 185 H LEU 27 H LEU 27 7.494 1.782 -4.749 186 HA LEU 27 HA LEU 27 6.575 4.231 -3.988 187 HB2 LEU 27 HB2 LEU 27 7.984 3.416 -5.932 188 HB3 LEU 27 HB1 LEU 27 6.484 3.004 -6.719 189 HG LEU 27 HG LEU 27 7.594 4.998 -7.454 190 HD11 LEU 27 HD11 LEU 27 5.176 4.785 -7.855 191 HD12 LEU 27 HD12 LEU 27 5.572 6.477 -7.551 192 HD13 LEU 27 HD13 LEU 27 4.848 5.499 -6.274 193 HD21 LEU 27 HD21 LEU 27 8.486 5.852 -5.413 194 HD22 LEU 27 HD22 LEU 27 6.864 6.127 -4.775 195 HD23 LEU 27 HD23 LEU 27 7.451 7.089 -6.131 196 H GLU 28 H GLU 28 4.957 1.533 -5.561 197 HA GLU 28 HA GLU 28 2.477 2.717 -6.192 198 HB2 GLU 28 HB2 GLU 28 3.076 -0.165 -5.512 199 HB3 GLU 28 HB1 GLU 28 1.667 0.423 -6.379 200 HG2 GLU 28 HG2 GLU 28 4.505 0.643 -7.338 201 HG3 GLU 28 HG1 GLU 28 3.356 -0.591 -7.845 202 H MET 29 H MET 29 3.740 1.147 -3.361 203 HA MET 29 HA MET 29 1.212 0.789 -2.096 204 HB2 MET 29 HB2 MET 29 4.042 0.416 -1.188 205 HB3 MET 29 HB1 MET 29 2.686 0.170 -0.091 206 HG2 MET 29 HG2 MET 29 3.263 -1.299 -2.657 207 HG3 MET 29 HG1 MET 29 3.408 -1.946 -1.028 208 HE1 MET 29 HE1 MET 29 1.244 -2.061 0.635 209 HE2 MET 29 HE2 MET 29 -0.411 -1.770 0.081 210 HE3 MET 29 3HE MET 29 0.751 -0.440 0.142 211 H GLY 30 H GLY 30 3.569 3.206 -2.185 212 HA2 GLY 30 HA2 GLY 30 2.890 4.518 0.231 213 HA3 GLY 30 HA1 GLY 30 3.764 5.271 -1.078 214 H TYR 31 H TYR 31 1.593 4.756 -3.012 215 HA TYR 31 HA TYR 31 -0.107 6.817 -1.936 216 HB2 TYR 31 HB2 TYR 31 -0.928 7.291 -4.217 217 HB3 TYR 31 HB1 TYR 31 0.789 7.564 -3.917 218 HD1 TYR 31 HD1 TYR 31 -1.686 5.648 -5.773 219 HD2 TYR 31 HD2 TYR 31 2.440 6.228 -5.017 220 HE1 TYR 31 HE1 TYR 31 -1.154 4.441 -7.817 221 HE2 TYR 31 HE2 TYR 31 3.002 5.019 -7.033 222 HH TYR 31 HH TYR 31 2.054 3.413 -8.607 223 H TYR 32 H TYR 32 -0.321 3.685 -3.169 224 HA TYR 32 HA TYR 32 -3.151 3.606 -3.051 225 HB2 TYR 32 HB2 TYR 32 -1.151 1.363 -3.219 226 HB3 TYR 32 HB1 TYR 32 -2.852 1.024 -2.958 227 HD1 TYR 32 HD1 TYR 32 -4.408 2.532 -4.603 228 HD2 TYR 32 HD2 TYR 32 -0.461 1.188 -5.431 229 HE1 TYR 32 HE1 TYR 32 -4.868 2.712 -6.995 230 HE2 TYR 32 HE2 TYR 32 -0.907 1.367 -7.843 231 HH TYR 32 HH TYR 32 -2.814 1.369 -9.340 232 H CYS 33 H CYS 33 -0.717 2.735 -0.588 233 HA CYS 33 HA CYS 33 -2.956 2.811 1.292 234 HB2 CYS 33 HB2 CYS 33 -0.758 0.747 1.394 235 HB3 CYS 33 HB1 CYS 33 -2.127 0.901 2.489 236 HA PRO 34 HA PRO 34 0.721 5.397 2.605 237 HB2 PRO 34 HB2 PRO 34 -0.637 7.663 3.172 238 HB3 PRO 34 HB1 PRO 34 -0.045 7.281 1.549 239 HG2 PRO 34 HG2 PRO 34 -2.772 6.873 2.705 240 HG3 PRO 34 HG1 PRO 34 -2.339 7.582 1.147 241 HD2 PRO 34 HD2 PRO 34 -3.144 5.054 1.364 242 HD3 PRO 34 HD1 PRO 34 -1.885 5.510 0.194 243 H VAL 35 H VAL 35 -2.400 4.706 3.921 244 HA VAL 35 HA VAL 35 -1.587 5.637 6.515 245 HB VAL 35 HB VAL 35 -4.185 4.353 5.661 246 HG11 VAL 35 HG11 VAL 35 -5.030 5.134 7.854 247 HG12 VAL 35 HG12 VAL 35 -3.378 5.627 8.271 248 HG13 VAL 35 3HG1 VAL 35 -3.748 3.928 8.016 249 HG21 VAL 35 HG21 VAL 35 -5.064 6.630 5.843 250 HG22 VAL 35 HG22 VAL 35 -3.714 6.527 4.689 251 HG23 VAL 35 HG23 VAL 35 -3.445 7.197 6.286 252 H THR 36 H THR 36 -2.589 2.597 5.048 253 HA THR 36 HA THR 36 -2.155 0.931 7.252 254 HB THR 36 HB THR 36 -1.890 0.179 4.333 255 HG1 THR 36 HG1 THR 36 -3.823 1.211 4.564 256 HG21 THR 36 HG21 THR 36 -2.769 -1.440 6.745 257 HG22 THR 36 HG22 THR 36 -1.239 -1.609 5.879 258 HG23 THR 36 HG23 THR 36 -2.748 -2.017 5.075 259 H CYS 37 H CYS 37 0.147 2.237 4.951 260 HA CYS 37 HA CYS 37 2.205 0.490 6.032 261 HB2 CYS 37 HB2 CYS 37 2.072 2.191 3.604 262 HB3 CYS 37 HB1 CYS 37 3.615 1.537 4.169 263 H GLY 38 H GLY 38 1.011 3.291 7.042 264 HA2 GLY 38 HA2 GLY 38 1.820 4.657 8.696 265 HA3 GLY 38 HA1 GLY 38 3.342 3.797 8.607 266 H PHE 39 H PHE 39 1.867 5.529 5.910 267 HA PHE 39 HA PHE 39 4.166 7.337 5.821 268 HB2 PHE 39 HB2 PHE 39 1.768 7.065 3.983 269 HB3 PHE 39 HB1 PHE 39 3.073 8.211 3.740 270 HD1 PHE 39 HD1 PHE 39 5.136 7.531 2.796 271 HD2 PHE 39 HD2 PHE 39 2.136 4.684 3.723 272 HE1 PHE 39 HE1 PHE 39 6.352 5.858 1.479 273 HE2 PHE 39 HE2 PHE 39 3.369 2.981 2.382 274 HZ PHE 39 HZ PHE 39 5.454 3.576 1.278 275 HA CYS 40 HA CYS 40 0.829 10.087 7.215 276 HB2 CYS 40 HB2 CYS 40 -1.499 8.718 5.851 277 HB3 CYS 40 HB1 CYS 40 -1.431 10.390 6.403 278 HN1 NH2 41 H1 CYS 40 1.008 9.610 9.326 279 HN2 NH2 41 H2 CYS 40 -0.079 8.623 10.235
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