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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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614338 |
5ix5 ![]() ![]() |
30039 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 1.406 -0.190 -2.053 3 HB2 MET 1 HB2 MET 1 2.647 1.948 -0.560 4 HB3 MET 1 HB3 MET 1 3.806 1.210 -1.657 5 HG2 MET 1 HG2 MET 1 2.467 1.686 -3.543 6 HG3 MET 1 HG3 MET 1 1.085 2.118 -2.539 7 HE1 MET 1 HE1 MET 1 3.515 3.927 -4.861 8 HE2 MET 1 HE2 MET 1 4.663 4.634 -3.724 9 HE3 MET 1 HE3 MET 1 4.492 2.881 -3.830 10 H ASP 2 H ASP 2 3.709 -0.580 0.620 11 HA ASP 2 HA ASP 2 5.345 -2.112 1.008 12 HB2 ASP 2 HB2 ASP 2 4.076 -3.770 -1.175 13 HB3 ASP 2 HB3 ASP 2 5.070 -4.338 0.164 14 H ILE 3 H ILE 3 7.015 -3.591 -0.331 15 HA ILE 3 HA ILE 3 8.394 -1.721 -2.035 16 HB ILE 3 HB ILE 3 9.295 -4.547 -1.611 17 HG12 ILE 3 HG12 ILE 3 10.527 -3.166 0.408 18 HG13 ILE 3 HG13 ILE 3 8.911 -2.469 0.437 19 HG21 ILE 3 HG21 ILE 3 10.901 -3.621 -2.891 20 HG22 ILE 3 HG22 ILE 3 10.473 -1.976 -2.424 21 HG23 ILE 3 HG23 ILE 3 11.465 -2.966 -1.354 22 HD11 ILE 3 HD11 ILE 3 9.725 -4.803 1.660 23 HD12 ILE 3 HD12 ILE 3 8.062 -4.277 1.399 24 HD13 ILE 3 HD13 ILE 3 8.838 -5.354 0.239 25 H ASP 4 H ASP 4 9.346 -2.427 -4.121 26 HA ASP 4 HA ASP 4 7.881 -4.476 -5.568 27 HB2 ASP 4 HB2 ASP 4 7.851 -1.586 -6.466 28 HB3 ASP 4 HB3 ASP 4 7.216 -2.951 -7.380 29 H PHE 5 H PHE 5 9.241 -5.546 -6.838 30 HA PHE 5 HA PHE 5 11.954 -4.921 -7.051 31 HB2 PHE 5 HB2 PHE 5 11.176 -7.194 -7.339 32 HB3 PHE 5 HB3 PHE 5 10.240 -6.735 -8.758 33 HD1 PHE 5 HD1 PHE 5 13.672 -7.111 -7.441 34 HD2 PHE 5 HD2 PHE 5 11.221 -6.670 -10.894 35 HE1 PHE 5 HE1 PHE 5 15.603 -7.634 -8.874 36 HE2 PHE 5 HE2 PHE 5 13.148 -7.193 -12.332 37 HZ PHE 5 HZ PHE 5 15.342 -7.676 -11.323 38 H SER 6 H SER 6 9.270 -4.314 -9.262 39 HA SER 6 HA SER 6 11.065 -2.992 -11.149 40 HB2 SER 6 HB2 SER 6 9.179 -2.944 -12.666 41 HB3 SER 6 HB3 SER 6 9.304 -4.562 -11.976 42 HG SER 6 HG SER 6 7.405 -2.555 -11.489 43 H THR 7 H THR 7 11.579 -0.973 -10.598 44 HA THR 7 HA THR 7 9.443 0.961 -10.235 45 HB THR 7 HB THR 7 11.017 1.897 -8.266 46 HG1 THR 7 HG1 THR 7 12.397 0.121 -8.188 47 HG21 THR 7 HG21 THR 7 8.933 1.804 -7.452 48 HG22 THR 7 HG22 THR 7 9.352 0.196 -6.862 49 HG23 THR 7 HG23 THR 7 8.536 0.381 -8.414 50 H CYS 8 H CYS 8 11.812 0.209 -12.038 51 HA CYS 8 HA CYS 8 12.819 2.952 -12.299 52 HB2 CYS 8 HB2 CYS 8 14.441 1.204 -11.177 53 HB3 CYS 8 HB3 CYS 8 14.683 0.675 -12.839 54 H ALA 9 H ALA 9 13.600 3.473 -14.439 55 HA ALA 9 HA ALA 9 11.934 2.405 -16.484 56 HB1 ALA 9 HB1 ALA 9 13.027 4.785 -16.189 57 HB2 ALA 9 HB2 ALA 9 14.308 4.064 -17.165 58 HB3 ALA 9 HB3 ALA 9 12.660 4.137 -17.788 59 H ARG 10 H ARG 10 14.914 1.428 -15.214 60 HA ARG 10 HA ARG 10 15.802 0.147 -17.680 61 HB2 ARG 10 HB2 ARG 10 17.109 -0.010 -14.965 62 HB3 ARG 10 HB3 ARG 10 17.834 -0.353 -16.530 63 HG2 ARG 10 HG2 ARG 10 16.899 2.358 -15.611 64 HG3 ARG 10 HG3 ARG 10 18.571 1.791 -15.594 65 HD2 ARG 10 HD2 ARG 10 17.890 1.283 -18.163 66 HD3 ARG 10 HD3 ARG 10 16.895 2.701 -17.837 67 HE ARG 10 HE ARG 10 18.788 3.968 -17.893 68 HH11 ARG 10 HH11 ARG 10 19.686 0.657 -17.300 69 HH12 ARG 10 HH12 ARG 10 21.389 0.966 -17.389 70 HH21 ARG 10 HH21 ARG 10 21.027 4.388 -18.012 71 HH22 ARG 10 HH22 ARG 10 22.150 3.089 -17.793 72 H MET 11 H MET 11 13.345 -0.661 -16.195 73 HA MET 11 HA MET 11 13.970 -3.249 -15.075 74 HB2 MET 11 HB2 MET 11 11.730 -1.450 -15.060 75 HB3 MET 11 HB3 MET 11 11.194 -3.047 -15.564 76 HG2 MET 11 HG2 MET 11 12.850 -2.586 -13.102 77 HG3 MET 11 HG3 MET 11 11.088 -2.552 -13.098 78 HE1 MET 11 HE1 MET 11 10.604 -5.694 -15.166 79 HE2 MET 11 HE2 MET 11 9.769 -5.741 -13.613 80 HE3 MET 11 HE3 MET 11 9.877 -4.227 -14.511 81 H ASP 12 H ASP 12 11.639 -2.360 -17.620 82 HA ASP 12 HA ASP 12 12.779 -4.284 -19.450 83 HB2 ASP 12 HB2 ASP 12 10.911 -5.270 -17.712 84 HB3 ASP 12 HB3 ASP 12 9.905 -4.794 -19.078 85 H VAL 13 H VAL 13 10.148 -2.057 -18.691 86 HA VAL 13 HA VAL 13 9.942 -1.404 -21.557 87 HB VAL 13 HB VAL 13 7.729 -0.347 -20.888 88 HG11 VAL 13 HG11 VAL 13 7.397 -3.201 -20.294 89 HG12 VAL 13 HG12 VAL 13 6.704 -2.220 -21.587 90 HG13 VAL 13 HG13 VAL 13 8.344 -2.853 -21.740 91 HG21 VAL 13 HG21 VAL 13 7.425 -2.124 -18.604 92 HG22 VAL 13 HG22 VAL 13 8.620 -0.856 -18.330 93 HG23 VAL 13 HG23 VAL 13 6.971 -0.430 -18.787 94 HA PRO 14 HA PRO 14 11.964 2.251 -19.562 95 HB2 PRO 14 HB2 PRO 14 13.679 2.702 -21.617 96 HB3 PRO 14 HB3 PRO 14 14.029 1.571 -20.305 97 HG2 PRO 14 HG2 PRO 14 13.000 1.015 -23.061 98 HG3 PRO 14 HG3 PRO 14 14.238 0.148 -22.132 99 HD2 PRO 14 HD2 PRO 14 11.690 -0.742 -22.349 100 HD3 PRO 14 HD3 PRO 14 12.677 -1.017 -20.899 101 H ILE 15 H ILE 15 10.100 1.619 -22.315 102 HA ILE 15 HA ILE 15 10.151 3.935 -23.803 103 HB ILE 15 HB ILE 15 7.767 3.494 -24.344 104 HG12 ILE 15 HG12 ILE 15 8.055 1.263 -22.319 105 HG13 ILE 15 HG13 ILE 15 7.076 2.710 -22.107 106 HG21 ILE 15 HG21 ILE 15 8.392 1.884 -25.771 107 HG22 ILE 15 HG22 ILE 15 9.980 2.053 -25.024 108 HG23 ILE 15 HG23 ILE 15 8.877 0.791 -24.475 109 HD11 ILE 15 HD11 ILE 15 6.372 0.246 -23.319 110 HD12 ILE 15 HD12 ILE 15 5.374 1.676 -23.056 111 HD13 ILE 15 HD13 ILE 15 6.303 1.511 -24.545 112 H LEU 16 H LEU 16 8.742 3.390 -20.654 113 HA LEU 16 HA LEU 16 7.914 6.218 -20.588 114 HB2 LEU 16 HB2 LEU 16 6.134 4.316 -20.481 115 HB3 LEU 16 HB3 LEU 16 6.684 4.150 -18.815 116 HG LEU 16 HG LEU 16 6.047 6.474 -18.376 117 HD11 LEU 16 HD11 LEU 16 5.882 6.563 -21.252 118 HD12 LEU 16 HD12 LEU 16 5.911 7.883 -20.085 119 HD13 LEU 16 HD13 LEU 16 4.381 7.116 -20.511 120 HD21 LEU 16 HD21 LEU 16 3.668 6.152 -18.379 121 HD22 LEU 16 HD22 LEU 16 4.446 4.605 -18.044 122 HD23 LEU 16 HD23 LEU 16 3.790 4.933 -19.648 123 H LYS 17 H LYS 17 10.221 6.452 -19.910 124 HA LYS 17 HA LYS 17 11.166 5.425 -17.462 125 HB2 LYS 17 HB2 LYS 17 11.964 7.981 -18.868 126 HB3 LYS 17 HB3 LYS 17 12.886 7.166 -17.611 127 HG2 LYS 17 HG2 LYS 17 12.520 5.187 -19.479 128 HG3 LYS 17 HG3 LYS 17 12.740 6.634 -20.466 129 HD2 LYS 17 HD2 LYS 17 14.833 7.118 -19.383 130 HD3 LYS 17 HD3 LYS 17 14.588 5.803 -18.231 131 HE2 LYS 17 HE2 LYS 17 15.139 4.194 -19.746 132 HE3 LYS 17 HE3 LYS 17 14.526 5.119 -21.116 133 HZ1 LYS 17 HZ1 LYS 17 17.032 5.746 -19.653 134 HZ2 LYS 17 HZ2 LYS 17 16.465 6.504 -21.055 135 HZ3 LYS 17 HZ3 LYS 17 16.962 4.888 -21.109 136 H LYS 18 H LYS 18 9.404 8.368 -18.281 137 HA LYS 18 HA LYS 18 9.611 9.725 -15.862 138 HB2 LYS 18 HB2 LYS 18 7.936 9.847 -18.226 139 HB3 LYS 18 HB3 LYS 18 7.017 10.225 -16.776 140 HG2 LYS 18 HG2 LYS 18 8.379 12.058 -16.254 141 HG3 LYS 18 HG3 LYS 18 9.646 11.541 -17.369 142 HD2 LYS 18 HD2 LYS 18 7.620 11.798 -19.103 143 HD3 LYS 18 HD3 LYS 18 7.115 12.985 -17.897 144 HE2 LYS 18 HE2 LYS 18 9.725 13.618 -18.136 145 HE3 LYS 18 HE3 LYS 18 9.402 13.019 -19.762 146 HZ1 LYS 18 HZ1 LYS 18 8.416 15.410 -18.435 147 HZ2 LYS 18 HZ2 LYS 18 7.298 14.593 -19.407 148 HZ3 LYS 18 HZ3 LYS 18 8.755 15.140 -20.071 149 H ALA 19 H ALA 19 7.459 7.111 -16.824 150 HA ALA 19 HA ALA 19 5.811 7.232 -14.500 151 HB1 ALA 19 HB1 ALA 19 5.157 4.884 -15.263 152 HB2 ALA 19 HB2 ALA 19 4.824 6.219 -16.367 153 HB3 ALA 19 HB3 ALA 19 6.215 5.171 -16.645 154 H ALA 20 H ALA 20 8.547 5.185 -15.469 155 HA ALA 20 HA ALA 20 8.576 3.556 -13.176 156 HB1 ALA 20 HB1 ALA 20 9.917 3.544 -15.525 157 HB2 ALA 20 HB2 ALA 20 11.181 4.099 -14.425 158 HB3 ALA 20 HB3 ALA 20 10.359 2.567 -14.124 159 H GLN 21 H GLN 21 10.362 6.528 -13.956 160 HA GLN 21 HA GLN 21 11.839 6.631 -11.555 161 HB2 GLN 21 HB2 GLN 21 11.344 8.381 -13.845 162 HB3 GLN 21 HB3 GLN 21 11.581 9.261 -12.341 163 HG2 GLN 21 HG2 GLN 21 13.737 8.400 -12.044 164 HG3 GLN 21 HG3 GLN 21 13.482 7.125 -13.234 165 HE21 GLN 21 HE21 GLN 21 14.469 7.444 -15.083 166 HE22 GLN 21 HE22 GLN 21 14.849 8.972 -15.792 167 H GLY 22 H GLY 22 8.620 7.688 -12.413 168 HA2 GLY 22 HA2 GLY 22 8.090 9.503 -10.376 169 HA3 GLY 22 HA3 GLY 22 6.887 8.464 -11.124 170 H LEU 23 H LEU 23 8.313 6.023 -10.236 171 HA LEU 23 HA LEU 23 7.002 5.747 -7.713 172 HB2 LEU 23 HB2 LEU 23 8.964 3.850 -8.984 173 HB3 LEU 23 HB3 LEU 23 7.758 3.474 -7.756 174 HG LEU 23 HG LEU 23 7.316 4.074 -10.671 175 HD11 LEU 23 HD11 LEU 23 7.677 1.827 -10.565 176 HD12 LEU 23 HD12 LEU 23 5.949 1.860 -10.216 177 HD13 LEU 23 HD13 LEU 23 7.111 1.699 -8.899 178 HD21 LEU 23 HD21 LEU 23 4.850 3.602 -9.893 179 HD22 LEU 23 HD22 LEU 23 5.525 5.230 -9.832 180 HD23 LEU 23 HD23 LEU 23 5.440 4.255 -8.364 181 H CYS 24 H CYS 24 9.725 7.328 -8.398 182 HA CYS 24 HA CYS 24 11.010 6.575 -5.854 183 HB2 CYS 24 HB2 CYS 24 12.120 6.612 -8.466 184 HB3 CYS 24 HB3 CYS 24 12.844 7.947 -7.574 185 H ILE 25 H ILE 25 10.666 9.256 -8.177 186 HA ILE 25 HA ILE 25 11.446 11.278 -6.364 187 HB ILE 25 HB ILE 25 9.732 11.507 -8.841 188 HG12 ILE 25 HG12 ILE 25 12.161 12.535 -9.491 189 HG13 ILE 25 HG13 ILE 25 12.639 11.271 -8.364 190 HG21 ILE 25 HG21 ILE 25 11.179 13.614 -7.244 191 HG22 ILE 25 HG22 ILE 25 10.437 13.877 -8.821 192 HG23 ILE 25 HG23 ILE 25 9.435 13.444 -7.436 193 HD11 ILE 25 HD11 ILE 25 12.286 9.688 -9.873 194 HD12 ILE 25 HD12 ILE 25 10.686 10.319 -10.266 195 HD13 ILE 25 HD13 ILE 25 12.114 10.981 -11.061 196 H THR 26 H THR 26 8.246 10.144 -7.415 197 HA THR 26 HA THR 26 6.840 11.938 -5.677 198 HB THR 26 HB THR 26 6.142 10.081 -7.765 199 HG1 THR 26 HG1 THR 26 5.528 12.229 -7.844 200 HG21 THR 26 HG21 THR 26 3.969 9.344 -6.832 201 HG22 THR 26 HG22 THR 26 4.473 9.943 -5.252 202 HG23 THR 26 HG23 THR 26 5.347 8.613 -6.010 203 H SER 27 H SER 27 7.821 8.556 -5.559 204 HA SER 27 HA SER 27 6.341 7.770 -3.314 205 HB2 SER 27 HB2 SER 27 7.862 6.408 -4.996 206 HB3 SER 27 HB3 SER 27 9.084 6.662 -3.750 207 HG SER 27 HG SER 27 6.833 5.068 -3.725 208 H CYS 28 H CYS 28 9.314 9.568 -3.614 209 HA CYS 28 HA CYS 28 10.121 9.311 -0.889 210 HB2 CYS 28 HB2 CYS 28 11.225 10.368 -3.249 211 HB3 CYS 28 HB3 CYS 28 11.100 11.725 -2.135 212 H SER 29 H SER 29 8.355 11.765 -2.729 213 HA SER 29 HA SER 29 8.152 13.727 -0.771 214 HB2 SER 29 HB2 SER 29 7.335 13.624 -3.295 215 HB3 SER 29 HB3 SER 29 5.796 13.215 -2.536 216 HG SER 29 HG SER 29 5.739 15.368 -2.556 217 H MET 30 H MET 30 6.383 10.738 -1.167 218 HA MET 30 HA MET 30 4.316 11.349 0.700 219 HB2 MET 30 HB2 MET 30 5.211 8.564 0.004 220 HB3 MET 30 HB3 MET 30 3.597 9.126 0.419 221 HG2 MET 30 HG2 MET 30 4.191 10.575 -1.836 222 HG3 MET 30 HG3 MET 30 4.935 9.011 -2.158 223 HE1 MET 30 HE1 MET 30 3.843 6.982 -2.751 224 HE2 MET 30 HE2 MET 30 2.184 6.917 -3.347 225 HE3 MET 30 HE3 MET 30 3.348 8.012 -4.094 226 H GLN 31 H GLN 31 7.585 10.465 1.019 227 HA GLN 31 HA GLN 31 7.169 9.559 3.784 228 HB2 GLN 31 HB2 GLN 31 9.859 9.384 2.554 229 HB3 GLN 31 HB3 GLN 31 9.031 8.254 3.617 230 HG2 GLN 31 HG2 GLN 31 7.507 7.958 1.461 231 HG3 GLN 31 HG3 GLN 31 8.998 8.462 0.668 232 HE21 GLN 31 HE21 GLN 31 7.573 6.084 2.817 233 HE22 GLN 31 HE22 GLN 31 8.735 4.842 2.521 234 H ASN 32 H ASN 32 7.261 12.371 2.604 235 HA ASN 32 HA ASN 32 7.938 14.425 3.311 236 HB2 ASN 32 HB2 ASN 32 9.409 13.185 5.615 237 HB3 ASN 32 HB3 ASN 32 8.544 14.717 5.548 238 HD21 ASN 32 HD21 ASN 32 8.342 12.436 7.404 239 HD22 ASN 32 HD22 ASN 32 6.678 11.972 7.382 240 H CYS 33 H CYS 33 9.496 13.073 1.414 241 HA CYS 33 HA CYS 33 12.242 13.854 2.127 242 HB2 CYS 33 HB2 CYS 33 11.205 11.932 0.039 243 HB3 CYS 33 HB3 CYS 33 12.889 12.434 0.147 244 H GLY 34 H GLY 34 13.426 14.236 -0.233 245 HA2 GLY 34 HA2 GLY 34 11.971 16.558 -1.321 246 HA3 GLY 34 HA3 GLY 34 13.720 16.383 -1.300 247 H THR 35 H THR 35 14.319 14.114 -2.438 248 HA THR 35 HA THR 35 12.749 13.767 -4.873 249 HB THR 35 HB THR 35 14.471 15.559 -5.314 250 HG1 THR 35 HG1 THR 35 13.636 14.316 -7.028 251 HG21 THR 35 HG21 THR 35 16.198 14.194 -3.885 252 HG22 THR 35 HG22 THR 35 16.737 15.134 -5.276 253 HG23 THR 35 HG23 THR 35 16.521 13.390 -5.420 254 H GLY 36 H GLY 36 14.099 12.081 -6.321 255 HA2 GLY 36 HA2 GLY 36 15.626 10.144 -4.884 256 HA3 GLY 36 HA3 GLY 36 13.955 9.629 -5.065 257 H SER 37 H SER 37 16.832 9.073 -6.300 258 HA SER 37 HA SER 37 15.834 8.824 -9.063 259 HB2 SER 37 HB2 SER 37 17.969 10.317 -8.357 260 HB3 SER 37 HB3 SER 37 18.763 8.762 -8.600 261 HG SER 37 HG SER 37 16.964 9.757 -10.522 262 H CYS 38 H CYS 38 16.201 6.905 -10.157 263 HA CYS 38 HA CYS 38 17.070 4.655 -8.466 264 HB2 CYS 38 HB2 CYS 38 15.550 3.241 -9.638 265 HB3 CYS 38 HB3 CYS 38 14.656 4.697 -9.215 266 H LYS 39 H LYS 39 18.507 3.165 -9.263 267 HA LYS 39 HA LYS 39 19.462 3.436 -12.005 268 HB2 LYS 39 HB2 LYS 39 21.410 3.470 -9.703 269 HB3 LYS 39 HB3 LYS 39 21.757 3.714 -11.409 270 HG2 LYS 39 HG2 LYS 39 20.586 5.828 -11.383 271 HG3 LYS 39 HG3 LYS 39 20.119 5.575 -9.699 272 HD2 LYS 39 HD2 LYS 39 22.975 5.298 -10.048 273 HD3 LYS 39 HD3 LYS 39 22.408 6.863 -10.636 274 HE2 LYS 39 HE2 LYS 39 21.941 7.599 -8.569 275 HE3 LYS 39 HE3 LYS 39 21.236 6.059 -8.079 276 HZ1 LYS 39 HZ1 LYS 39 23.785 5.379 -8.170 277 HZ2 LYS 39 HZ2 LYS 39 23.066 6.023 -6.781 278 HZ3 LYS 39 HZ3 LYS 39 23.972 7.020 -7.804 279 H LYS 40 H LYS 40 20.467 1.589 -12.819 280 HA LYS 40 HA LYS 40 19.647 -0.866 -11.668 281 HB2 LYS 40 HB2 LYS 40 21.029 0.016 -14.096 282 HB3 LYS 40 HB3 LYS 40 21.573 -1.552 -13.513 283 HG2 LYS 40 HG2 LYS 40 18.704 -0.821 -14.057 284 HG3 LYS 40 HG3 LYS 40 19.754 -1.708 -15.164 285 HD2 LYS 40 HD2 LYS 40 20.091 -3.280 -13.094 286 HD3 LYS 40 HD3 LYS 40 18.563 -2.573 -12.567 287 HE2 LYS 40 HE2 LYS 40 18.122 -4.607 -13.781 288 HE3 LYS 40 HE3 LYS 40 17.558 -3.231 -14.728 289 HZ1 LYS 40 HZ1 LYS 40 18.779 -4.924 -16.032 290 HZ2 LYS 40 HZ2 LYS 40 20.174 -4.567 -15.146 291 HZ3 LYS 40 HZ3 LYS 40 19.467 -3.381 -16.124 292 H ARG 41 H ARG 41 20.520 -1.724 -9.904 293 HA ARG 41 HA ARG 41 23.385 -1.346 -9.396 294 HB2 ARG 41 HB2 ARG 41 21.169 -2.264 -7.555 295 HB3 ARG 41 HB3 ARG 41 22.855 -2.082 -7.090 296 HG2 ARG 41 HG2 ARG 41 21.102 0.152 -8.091 297 HG3 ARG 41 HG3 ARG 41 21.436 -0.191 -6.392 298 HD2 ARG 41 HD2 ARG 41 23.544 0.420 -8.458 299 HD3 ARG 41 HD3 ARG 41 22.851 1.613 -7.360 300 HE ARG 41 HE ARG 41 23.794 -0.484 -5.803 301 HH11 ARG 41 HH11 ARG 41 25.074 1.916 -7.976 302 HH12 ARG 41 HH12 ARG 41 26.613 2.000 -7.185 303 HH21 ARG 41 HH21 ARG 41 25.816 -0.383 -4.753 304 HH22 ARG 41 HH22 ARG 41 27.034 0.691 -5.352 305 H SER 42 H SER 42 24.581 -2.920 -10.254 306 HA SER 42 HA SER 42 25.377 -4.983 -10.789 307 HB2 SER 42 HB2 SER 42 24.628 -5.110 -8.142 308 HB3 SER 42 HB3 SER 42 23.784 -6.492 -8.843 309 HG SER 42 HG SER 42 25.632 -7.464 -9.157 310 H GLY 43 H GLY 43 22.946 -4.026 -12.071 311 HA2 GLY 43 HA2 GLY 43 21.694 -4.939 -13.811 312 HA3 GLY 43 HA3 GLY 43 22.125 -6.545 -13.244 313 H ARG 44 H ARG 44 20.953 -4.481 -10.808 314 HA ARG 44 HA ARG 44 18.289 -5.726 -11.005 315 HB2 ARG 44 HB2 ARG 44 19.885 -5.068 -8.524 316 HB3 ARG 44 HB3 ARG 44 18.222 -5.638 -8.520 317 HG2 ARG 44 HG2 ARG 44 20.547 -7.169 -9.664 318 HG3 ARG 44 HG3 ARG 44 19.882 -7.406 -8.047 319 HD2 ARG 44 HD2 ARG 44 17.781 -7.469 -10.006 320 HD3 ARG 44 HD3 ARG 44 19.052 -8.610 -10.443 321 HE ARG 44 HE ARG 44 18.304 -8.794 -7.688 322 HH11 ARG 44 HH11 ARG 44 17.456 -9.772 -10.920 323 HH12 ARG 44 HH12 ARG 44 16.619 -11.200 -10.408 324 HH21 ARG 44 HH21 ARG 44 17.206 -10.671 -7.002 325 HH22 ARG 44 HH22 ARG 44 16.477 -11.710 -8.179 326 HA PRO 45 HA PRO 45 16.759 -1.583 -11.173 327 HB2 PRO 45 HB2 PRO 45 14.144 -2.150 -10.709 328 HB3 PRO 45 HB3 PRO 45 14.938 -2.473 -12.255 329 HG2 PRO 45 HG2 PRO 45 14.350 -4.351 -9.999 330 HG3 PRO 45 HG3 PRO 45 14.162 -4.605 -11.744 331 HD2 PRO 45 HD2 PRO 45 16.274 -5.569 -10.351 332 HD3 PRO 45 HD3 PRO 45 16.402 -5.059 -12.046 333 H THR 46 H THR 46 17.838 -0.871 -9.240 334 HA THR 46 HA THR 46 16.278 -1.097 -6.764 335 HB THR 46 HB THR 46 19.117 -0.143 -7.187 336 HG1 THR 46 HG1 THR 46 18.682 -2.456 -7.368 337 HG21 THR 46 HG21 THR 46 17.477 -0.457 -4.673 338 HG22 THR 46 HG22 THR 46 18.190 1.026 -5.307 339 HG23 THR 46 HG23 THR 46 19.229 -0.259 -4.691 340 H CYS 47 H CYS 47 15.374 0.637 -5.782 341 HA CYS 47 HA CYS 47 15.513 3.189 -7.232 342 HB2 CYS 47 HB2 CYS 47 13.315 1.750 -6.494 343 HB3 CYS 47 HB3 CYS 47 13.459 2.871 -5.143 344 H VAL 48 H VAL 48 16.685 4.757 -6.369 345 HA VAL 48 HA VAL 48 17.203 4.704 -3.470 346 HB VAL 48 HB VAL 48 18.831 6.303 -5.419 347 HG11 VAL 48 HG11 VAL 48 20.530 5.418 -3.536 348 HG12 VAL 48 HG12 VAL 48 19.597 6.908 -3.379 349 HG13 VAL 48 HG13 VAL 48 19.031 5.425 -2.607 350 HG21 VAL 48 HG21 VAL 48 18.772 3.370 -5.098 351 HG22 VAL 48 HG22 VAL 48 19.291 4.353 -6.468 352 HG23 VAL 48 HG23 VAL 48 20.369 4.120 -5.092 353 H CYS 49 H CYS 49 17.045 6.601 -2.262 354 HA CYS 49 HA CYS 49 15.526 8.767 -3.561 355 HB2 CYS 49 HB2 CYS 49 15.034 7.246 -1.145 356 HB3 CYS 49 HB3 CYS 49 15.130 8.969 -0.796 357 H TYR 50 H TYR 50 15.762 10.910 -2.442 358 HA TYR 50 HA TYR 50 18.239 11.349 -1.014 359 HB2 TYR 50 HB2 TYR 50 17.814 12.502 -3.778 360 HB3 TYR 50 HB3 TYR 50 19.088 12.998 -2.670 361 HD1 TYR 50 HD1 TYR 50 17.942 10.409 -4.970 362 HD2 TYR 50 HD2 TYR 50 20.959 11.496 -2.174 363 HE1 TYR 50 HE1 TYR 50 19.388 8.623 -5.846 364 HE2 TYR 50 HE2 TYR 50 22.414 9.713 -3.043 365 HH TYR 50 HH TYR 50 21.861 8.136 -5.939 366 H ARG 51 H ARG 51 18.544 13.824 -0.706 367 HA ARG 51 HA ARG 51 17.733 15.667 0.363 368 HB2 ARG 51 HB2 ARG 51 15.593 15.434 -1.761 369 HB3 ARG 51 HB3 ARG 51 15.952 16.874 -0.819 370 HG2 ARG 51 HG2 ARG 51 18.388 16.302 -1.886 371 HG3 ARG 51 HG3 ARG 51 17.298 15.778 -3.171 372 HD2 ARG 51 HD2 ARG 51 16.665 17.880 -3.658 373 HD3 ARG 51 HD3 ARG 51 16.611 18.360 -1.963 374 HE ARG 51 HE ARG 51 18.812 18.676 -3.788 375 HH11 ARG 51 HH11 ARG 51 17.862 18.445 -0.447 376 HH12 ARG 51 HH12 ARG 51 19.255 19.289 0.143 377 HH21 ARG 51 HH21 ARG 51 20.651 19.788 -3.024 378 HH22 ARG 51 HH22 ARG 51 20.841 20.053 -1.324 379 H CYS 52 H CYS 52 16.818 13.050 1.314 380 HA CYS 52 HA CYS 52 14.072 13.265 2.067 381 HB2 CYS 52 HB2 CYS 52 15.805 11.198 1.967 382 HB3 CYS 52 HB3 CYS 52 15.879 11.565 3.687 383 H ALA 53 H ALA 53 13.557 13.014 4.524 384 HA ALA 53 HA ALA 53 14.904 15.239 5.901 385 HB1 ALA 53 HB1 ALA 53 12.692 15.068 7.316 386 HB2 ALA 53 HB2 ALA 53 12.724 15.922 5.773 387 HB3 ALA 53 HB3 ALA 53 12.087 14.279 5.859 388 H ASN 54 H ASN 54 14.004 11.886 6.131 389 HA ASN 54 HA ASN 54 14.814 11.726 8.926 390 HB2 ASN 54 HB2 ASN 54 13.323 9.997 7.045 391 HB3 ASN 54 HB3 ASN 54 14.323 9.154 8.225 392 HD21 ASN 54 HD21 ASN 54 13.805 9.262 10.389 393 HD22 ASN 54 HD22 ASN 54 12.291 9.871 10.955 394 H GLY 55 H GLY 55 16.641 12.240 6.531 395 HA2 GLY 55 HA2 GLY 55 18.918 10.942 7.498 396 HA3 GLY 55 HA3 GLY 55 18.297 9.983 6.163 397 H GLY 56 H GLY 56 17.268 12.374 4.766 398 HA2 GLY 56 HA2 GLY 56 17.985 13.852 3.164 399 HA3 GLY 56 HA3 GLY 56 19.302 14.238 4.262 400 H GLY 57 H GLY 57 18.344 11.502 2.173 401 HA2 GLY 57 HA2 GLY 57 20.322 11.643 0.296 402 HA3 GLY 57 HA3 GLY 57 21.087 10.823 1.649 403 H ASP 58 H ASP 58 21.321 8.823 0.762 404 HA ASP 58 HA ASP 58 19.346 7.502 -0.767 405 HB2 ASP 58 HB2 ASP 58 20.737 5.437 -0.219 406 HB3 ASP 58 HB3 ASP 58 21.577 6.753 -1.034 407 H ILE 59 H ILE 59 17.389 7.091 0.047 408 HA ILE 59 HA ILE 59 17.233 5.495 2.497 409 HB ILE 59 HB ILE 59 15.306 7.759 2.031 410 HG12 ILE 59 HG12 ILE 59 17.696 8.557 2.327 411 HG13 ILE 59 HG13 ILE 59 16.542 9.151 3.516 412 HG21 ILE 59 HG21 ILE 59 14.307 6.310 3.508 413 HG22 ILE 59 HG22 ILE 59 15.841 5.796 4.209 414 HG23 ILE 59 HG23 ILE 59 15.171 7.376 4.616 415 HD11 ILE 59 HD11 ILE 59 18.928 8.176 4.167 416 HD12 ILE 59 HD12 ILE 59 17.518 8.034 5.217 417 HD13 ILE 59 HD13 ILE 59 18.000 6.677 4.199 418 HA PRO 60 HA PRO 60 14.710 3.386 -0.606 419 HB2 PRO 60 HB2 PRO 60 14.735 1.001 0.690 420 HB3 PRO 60 HB3 PRO 60 16.071 1.556 -0.325 421 HG2 PRO 60 HG2 PRO 60 15.793 1.643 2.654 422 HG3 PRO 60 HG3 PRO 60 17.203 1.199 1.674 423 HD2 PRO 60 HD2 PRO 60 16.938 3.636 2.825 424 HD3 PRO 60 HD3 PRO 60 17.778 3.396 1.280 425 H LEU 61 H LEU 61 12.573 2.662 -0.621 426 HA LEU 61 HA LEU 61 10.776 3.810 1.120 427 HB2 LEU 61 HB2 LEU 61 10.681 1.780 -0.974 428 HB3 LEU 61 HB3 LEU 61 9.428 1.580 0.249 429 HG LEU 61 HG LEU 61 8.547 3.766 -0.213 430 HD11 LEU 61 HD11 LEU 61 9.498 5.221 -1.918 431 HD12 LEU 61 HD12 LEU 61 10.817 4.079 -2.174 432 HD13 LEU 61 HD13 LEU 61 10.664 4.917 -0.629 433 HD21 LEU 61 HD21 LEU 61 8.984 1.871 -2.454 434 HD22 LEU 61 HD22 LEU 61 8.292 3.448 -2.837 435 HD23 LEU 61 HD23 LEU 61 7.486 2.388 -1.679 436 H GLY 62 H GLY 62 12.609 0.911 1.521 437 HA2 GLY 62 HA2 GLY 62 10.938 -0.273 3.526 438 HA3 GLY 62 HA3 GLY 62 12.588 -0.736 3.137 439 H ALA 63 H ALA 63 13.726 1.876 3.564 440 HA ALA 63 HA ALA 63 14.055 1.718 6.417 441 HB1 ALA 63 HB1 ALA 63 15.703 3.521 6.095 442 HB2 ALA 63 HB2 ALA 63 15.983 2.150 5.021 443 HB3 ALA 63 HB3 ALA 63 15.236 3.620 4.396 444 H LEU 64 H LEU 64 12.219 3.643 4.205 445 HA LEU 64 HA LEU 64 11.669 5.693 6.200 446 HB2 LEU 64 HB2 LEU 64 11.292 5.395 3.293 447 HB3 LEU 64 HB3 LEU 64 10.040 6.305 4.135 448 HG LEU 64 HG LEU 64 12.884 7.046 4.612 449 HD11 LEU 64 HD11 LEU 64 11.528 8.317 2.306 450 HD12 LEU 64 HD12 LEU 64 12.234 6.720 2.054 451 HD13 LEU 64 HD13 LEU 64 13.245 8.053 2.612 452 HD21 LEU 64 HD21 LEU 64 11.886 8.741 5.635 453 HD22 LEU 64 HD22 LEU 64 10.310 8.077 5.204 454 HD23 LEU 64 HD23 LEU 64 11.114 9.215 4.121 455 H ILE 65 H ILE 65 10.651 2.692 5.889 456 HA ILE 65 HA ILE 65 7.873 2.733 5.696 457 HB ILE 65 HB ILE 65 9.689 0.910 7.267 458 HG12 ILE 65 HG12 ILE 65 8.173 0.524 4.676 459 HG13 ILE 65 HG13 ILE 65 9.897 0.856 4.806 460 HG21 ILE 65 HG21 ILE 65 6.715 0.724 6.827 461 HG22 ILE 65 HG22 ILE 65 7.717 -0.626 7.356 462 HG23 ILE 65 HG23 ILE 65 7.573 0.813 8.365 463 HD11 ILE 65 HD11 ILE 65 9.607 -1.473 4.419 464 HD12 ILE 65 HD12 ILE 65 10.129 -1.263 6.091 465 HD13 ILE 65 HD13 ILE 65 8.436 -1.602 5.731 466 H LYS 66 H LYS 66 6.223 3.100 7.102 467 HA LYS 66 HA LYS 66 6.942 4.015 9.808 468 HB2 LYS 66 HB2 LYS 66 4.743 5.155 8.075 469 HB3 LYS 66 HB3 LYS 66 5.208 5.711 9.678 470 HG2 LYS 66 HG2 LYS 66 7.175 6.676 8.913 471 HG3 LYS 66 HG3 LYS 66 7.183 5.717 7.431 472 HD2 LYS 66 HD2 LYS 66 5.068 7.772 8.038 473 HD3 LYS 66 HD3 LYS 66 6.561 8.159 7.180 474 HE2 LYS 66 HE2 LYS 66 5.673 5.949 5.834 475 HE3 LYS 66 HE3 LYS 66 4.164 6.756 6.258 476 HZ1 LYS 66 HZ1 LYS 66 4.614 8.503 4.921 477 HZ2 LYS 66 HZ2 LYS 66 5.539 7.355 4.091 478 HZ3 LYS 66 HZ3 LYS 66 6.287 8.427 5.165 479 H ARG 67 H ARG 67 5.448 1.664 8.126 480 HA ARG 67 HA ARG 67 3.282 1.326 10.089 481 HB2 ARG 67 HB2 ARG 67 3.650 0.291 7.286 482 HB3 ARG 67 HB3 ARG 67 2.479 -0.421 8.388 483 HG2 ARG 67 HG2 ARG 67 1.199 1.088 7.210 484 HG3 ARG 67 HG3 ARG 67 1.623 2.008 8.655 485 HD2 ARG 67 HD2 ARG 67 2.423 3.591 7.315 486 HD3 ARG 67 HD3 ARG 67 3.707 2.471 6.864 487 HE ARG 67 HE ARG 67 1.655 1.781 5.230 488 HH11 ARG 67 HH11 ARG 67 3.279 4.778 5.937 489 HH12 ARG 67 HH12 ARG 67 3.013 5.445 4.361 490 HH21 ARG 67 HH21 ARG 67 1.298 2.648 3.151 491 HH22 ARG 67 HH22 ARG 67 1.885 4.233 2.777 492 H GLY 68 H GLY 68 6.351 0.516 9.876 493 HA2 GLY 68 HA2 GLY 68 5.895 -2.131 11.089 494 HA3 GLY 68 HA3 GLY 68 7.137 -1.927 9.863 Start of MODEL 2 1 H MET 1 H MET 1 2.775 -4.237 0.922 2 HA MET 1 HA MET 1 0.386 -5.180 1.300 3 HB2 MET 1 HB2 MET 1 0.011 -2.332 0.436 4 HB3 MET 1 HB3 MET 1 -1.196 -3.544 0.026 5 HG2 MET 1 HG2 MET 1 -1.065 -4.084 2.587 6 HG3 MET 1 HG3 MET 1 -0.440 -2.440 2.680 7 HE1 MET 1 HE1 MET 1 -3.843 -4.393 2.893 8 HE2 MET 1 HE2 MET 1 -4.612 -3.801 1.421 9 HE3 MET 1 HE3 MET 1 -3.109 -4.720 1.323 10 H ASP 2 H ASP 2 2.369 -3.589 -1.050 11 HA ASP 2 HA ASP 2 1.831 -5.718 -2.950 12 HB2 ASP 2 HB2 ASP 2 1.559 -4.023 -4.817 13 HB3 ASP 2 HB3 ASP 2 0.193 -4.174 -3.716 14 H ILE 3 H ILE 3 3.653 -6.347 -3.921 15 HA ILE 3 HA ILE 3 6.053 -4.727 -3.520 16 HB ILE 3 HB ILE 3 6.130 -7.457 -4.730 17 HG12 ILE 3 HG12 ILE 3 5.781 -6.885 -1.779 18 HG13 ILE 3 HG13 ILE 3 4.602 -7.675 -2.820 19 HG21 ILE 3 HG21 ILE 3 8.301 -7.057 -4.497 20 HG22 ILE 3 HG22 ILE 3 7.978 -5.566 -3.613 21 HG23 ILE 3 HG23 ILE 3 8.077 -7.100 -2.749 22 HD11 ILE 3 HD11 ILE 3 6.632 -9.317 -3.241 23 HD12 ILE 3 HD12 ILE 3 7.109 -8.722 -1.651 24 HD13 ILE 3 HD13 ILE 3 5.542 -9.501 -1.867 25 H ASP 4 H ASP 4 7.669 -4.685 -5.301 26 HA ASP 4 HA ASP 4 6.622 -4.945 -7.993 27 HB2 ASP 4 HB2 ASP 4 7.466 -2.271 -6.859 28 HB3 ASP 4 HB3 ASP 4 7.217 -2.590 -8.574 29 H PHE 5 H PHE 5 8.170 -5.708 -9.270 30 HA PHE 5 HA PHE 5 10.903 -5.776 -8.304 31 HB2 PHE 5 HB2 PHE 5 10.080 -7.831 -9.215 32 HB3 PHE 5 HB3 PHE 5 9.534 -7.031 -10.685 33 HD1 PHE 5 HD1 PHE 5 12.751 -7.103 -8.791 34 HD2 PHE 5 HD2 PHE 5 10.757 -7.681 -12.506 35 HE1 PHE 5 HE1 PHE 5 14.905 -7.618 -9.863 36 HE2 PHE 5 HE2 PHE 5 12.907 -8.198 -13.584 37 HZ PHE 5 HZ PHE 5 14.985 -8.168 -12.263 38 H SER 6 H SER 6 9.007 -4.007 -10.568 39 HA SER 6 HA SER 6 11.446 -2.821 -11.720 40 HB2 SER 6 HB2 SER 6 10.140 -2.225 -13.671 41 HB3 SER 6 HB3 SER 6 9.912 -3.943 -13.343 42 HG SER 6 HG SER 6 8.007 -2.369 -13.737 43 H THR 7 H THR 7 11.919 -0.834 -11.084 44 HA THR 7 HA THR 7 9.793 1.085 -10.555 45 HB THR 7 HB THR 7 11.516 1.630 -8.464 46 HG1 THR 7 HG1 THR 7 11.751 -0.358 -7.380 47 HG21 THR 7 HG21 THR 7 9.434 1.879 -7.685 48 HG22 THR 7 HG22 THR 7 9.465 0.153 -7.323 49 HG23 THR 7 HG23 THR 7 8.784 0.723 -8.847 50 H CYS 8 H CYS 8 12.239 0.515 -12.360 51 HA CYS 8 HA CYS 8 13.248 3.269 -12.272 52 HB2 CYS 8 HB2 CYS 8 14.846 1.485 -11.258 53 HB3 CYS 8 HB3 CYS 8 15.105 1.002 -12.930 54 H ALA 9 H ALA 9 14.116 4.024 -14.307 55 HA ALA 9 HA ALA 9 12.538 3.190 -16.525 56 HB1 ALA 9 HB1 ALA 9 14.535 4.805 -17.554 57 HB2 ALA 9 HB2 ALA 9 12.951 5.330 -16.982 58 HB3 ALA 9 HB3 ALA 9 14.340 5.372 -15.896 59 H ARG 10 H ARG 10 15.460 2.072 -15.247 60 HA ARG 10 HA ARG 10 16.464 1.086 -17.804 61 HB2 ARG 10 HB2 ARG 10 17.655 0.627 -15.070 62 HB3 ARG 10 HB3 ARG 10 18.448 0.460 -16.630 63 HG2 ARG 10 HG2 ARG 10 17.486 3.040 -15.412 64 HG3 ARG 10 HG3 ARG 10 19.159 2.482 -15.480 65 HD2 ARG 10 HD2 ARG 10 18.705 2.336 -18.045 66 HD3 ARG 10 HD3 ARG 10 17.387 3.450 -17.682 67 HE ARG 10 HE ARG 10 20.197 4.038 -17.702 68 HH11 ARG 10 HH11 ARG 10 17.099 4.950 -16.401 69 HH12 ARG 10 HH12 ARG 10 17.568 6.588 -16.086 70 HH21 ARG 10 HH21 ARG 10 20.826 6.192 -17.291 71 HH22 ARG 10 HH22 ARG 10 19.687 7.294 -16.593 72 H MET 11 H MET 11 13.951 0.109 -16.535 73 HA MET 11 HA MET 11 14.618 -2.641 -15.835 74 HB2 MET 11 HB2 MET 11 12.357 -0.850 -15.389 75 HB3 MET 11 HB3 MET 11 11.858 -2.457 -15.898 76 HG2 MET 11 HG2 MET 11 13.841 -2.099 -13.689 77 HG3 MET 11 HG3 MET 11 12.110 -1.958 -13.388 78 HE1 MET 11 HE1 MET 11 15.083 -3.814 -14.011 79 HE2 MET 11 HE2 MET 11 14.707 -5.452 -13.476 80 HE3 MET 11 HE3 MET 11 14.568 -5.028 -15.183 81 H ASP 12 H ASP 12 12.723 -4.190 -16.778 82 HA ASP 12 HA ASP 12 13.363 -4.485 -19.529 83 HB2 ASP 12 HB2 ASP 12 12.314 -6.117 -17.530 84 HB3 ASP 12 HB3 ASP 12 11.004 -5.969 -18.698 85 H VAL 13 H VAL 13 11.038 -2.631 -17.907 86 HA VAL 13 HA VAL 13 9.376 -2.421 -20.329 87 HB VAL 13 HB VAL 13 7.766 -1.222 -18.726 88 HG11 VAL 13 HG11 VAL 13 7.396 -3.463 -19.666 89 HG12 VAL 13 HG12 VAL 13 8.289 -4.164 -18.315 90 HG13 VAL 13 HG13 VAL 13 6.768 -3.319 -18.025 91 HG21 VAL 13 HG21 VAL 13 7.964 -1.851 -16.371 92 HG22 VAL 13 HG22 VAL 13 9.504 -2.641 -16.707 93 HG23 VAL 13 HG23 VAL 13 9.350 -0.895 -16.896 94 HA PRO 14 HA PRO 14 11.792 1.497 -20.299 95 HB2 PRO 14 HB2 PRO 14 11.924 1.680 -23.004 96 HB3 PRO 14 HB3 PRO 14 13.068 0.730 -22.049 97 HG2 PRO 14 HG2 PRO 14 10.661 -0.181 -23.577 98 HG3 PRO 14 HG3 PRO 14 12.271 -0.917 -23.483 99 HD2 PRO 14 HD2 PRO 14 10.165 -1.833 -22.049 100 HD3 PRO 14 HD3 PRO 14 11.835 -1.915 -21.452 101 H ILE 15 H ILE 15 8.725 0.504 -21.350 102 HA ILE 15 HA ILE 15 7.756 2.696 -22.757 103 HB ILE 15 HB ILE 15 6.234 0.991 -20.783 104 HG12 ILE 15 HG12 ILE 15 6.483 0.668 -23.779 105 HG13 ILE 15 HG13 ILE 15 7.429 -0.250 -22.613 106 HG21 ILE 15 HG21 ILE 15 4.656 2.546 -21.166 107 HG22 ILE 15 HG22 ILE 15 5.452 3.145 -22.620 108 HG23 ILE 15 HG23 ILE 15 4.454 1.693 -22.696 109 HD11 ILE 15 HD11 ILE 15 5.075 -1.055 -23.676 110 HD12 ILE 15 HD12 ILE 15 5.732 -1.625 -22.142 111 HD13 ILE 15 HD13 ILE 15 4.539 -0.327 -22.162 112 H LEU 16 H LEU 16 7.872 4.758 -22.169 113 HA LEU 16 HA LEU 16 7.655 6.678 -20.971 114 HB2 LEU 16 HB2 LEU 16 6.089 5.080 -18.962 115 HB3 LEU 16 HB3 LEU 16 5.997 6.812 -19.278 116 HG LEU 16 HG LEU 16 5.191 4.778 -21.339 117 HD11 LEU 16 HD11 LEU 16 3.951 4.494 -19.148 118 HD12 LEU 16 HD12 LEU 16 2.965 4.817 -20.574 119 HD13 LEU 16 HD13 LEU 16 3.299 6.110 -19.422 120 HD21 LEU 16 HD21 LEU 16 5.123 7.701 -21.049 121 HD22 LEU 16 HD22 LEU 16 3.637 6.973 -21.662 122 HD23 LEU 16 HD23 LEU 16 5.165 6.701 -22.502 123 H LYS 17 H LYS 17 10.008 6.188 -20.614 124 HA LYS 17 HA LYS 17 11.019 5.068 -18.274 125 HB2 LYS 17 HB2 LYS 17 12.202 7.382 -19.817 126 HB3 LYS 17 HB3 LYS 17 13.067 6.291 -18.744 127 HG2 LYS 17 HG2 LYS 17 11.626 5.292 -21.175 128 HG3 LYS 17 HG3 LYS 17 13.279 5.907 -21.254 129 HD2 LYS 17 HD2 LYS 17 13.556 4.224 -19.198 130 HD3 LYS 17 HD3 LYS 17 12.227 3.418 -20.035 131 HE2 LYS 17 HE2 LYS 17 14.966 4.073 -21.098 132 HE3 LYS 17 HE3 LYS 17 14.245 2.481 -20.868 133 HZ1 LYS 17 HZ1 LYS 17 13.802 2.681 -23.045 134 HZ2 LYS 17 HZ2 LYS 17 13.906 4.369 -23.040 135 HZ3 LYS 17 HZ3 LYS 17 12.485 3.608 -22.525 136 H LYS 18 H LYS 18 9.901 8.347 -18.934 137 HA LYS 18 HA LYS 18 10.777 9.616 -16.621 138 HB2 LYS 18 HB2 LYS 18 9.350 10.390 -18.789 139 HB3 LYS 18 HB3 LYS 18 8.079 10.359 -17.575 140 HG2 LYS 18 HG2 LYS 18 8.851 12.542 -17.500 141 HG3 LYS 18 HG3 LYS 18 9.686 11.769 -16.151 142 HD2 LYS 18 HD2 LYS 18 11.623 11.389 -17.721 143 HD3 LYS 18 HD3 LYS 18 10.791 12.435 -18.874 144 HE2 LYS 18 HE2 LYS 18 10.734 14.183 -17.050 145 HE3 LYS 18 HE3 LYS 18 11.831 13.146 -16.139 146 HZ1 LYS 18 HZ1 LYS 18 12.948 13.356 -18.637 147 HZ2 LYS 18 HZ2 LYS 18 13.468 14.140 -17.232 148 HZ3 LYS 18 HZ3 LYS 18 12.402 14.920 -18.290 149 H ALA 19 H ALA 19 7.955 7.586 -17.163 150 HA ALA 19 HA ALA 19 6.646 8.101 -14.719 151 HB1 ALA 19 HB1 ALA 19 5.144 6.531 -15.369 152 HB2 ALA 19 HB2 ALA 19 5.932 6.787 -16.926 153 HB3 ALA 19 HB3 ALA 19 6.387 5.409 -15.924 154 H ALA 20 H ALA 20 8.996 5.622 -15.673 155 HA ALA 20 HA ALA 20 8.998 4.073 -13.377 156 HB1 ALA 20 HB1 ALA 20 10.337 3.930 -15.668 157 HB2 ALA 20 HB2 ALA 20 11.618 4.600 -14.658 158 HB3 ALA 20 HB3 ALA 20 10.856 3.072 -14.218 159 H GLN 21 H GLN 21 10.904 6.987 -14.082 160 HA GLN 21 HA GLN 21 12.330 7.015 -11.649 161 HB2 GLN 21 HB2 GLN 21 11.949 8.799 -13.930 162 HB3 GLN 21 HB3 GLN 21 12.157 9.665 -12.414 163 HG2 GLN 21 HG2 GLN 21 14.281 8.749 -12.051 164 HG3 GLN 21 HG3 GLN 21 14.037 7.490 -13.260 165 HE21 GLN 21 HE21 GLN 21 16.221 8.443 -13.828 166 HE22 GLN 21 HE22 GLN 21 16.223 9.719 -14.992 167 H GLY 22 H GLY 22 9.157 8.156 -12.548 168 HA2 GLY 22 HA2 GLY 22 8.635 9.976 -10.514 169 HA3 GLY 22 HA3 GLY 22 7.421 8.963 -11.282 170 H LEU 23 H LEU 23 8.789 6.493 -10.379 171 HA LEU 23 HA LEU 23 7.432 6.230 -7.881 172 HB2 LEU 23 HB2 LEU 23 9.399 4.307 -9.103 173 HB3 LEU 23 HB3 LEU 23 8.147 3.949 -7.916 174 HG LEU 23 HG LEU 23 7.797 4.580 -10.839 175 HD11 LEU 23 HD11 LEU 23 8.224 2.321 -10.673 176 HD12 LEU 23 HD12 LEU 23 6.465 2.367 -10.557 177 HD13 LEU 23 HD13 LEU 23 7.440 2.178 -9.100 178 HD21 LEU 23 HD21 LEU 23 5.846 4.683 -8.583 179 HD22 LEU 23 HD22 LEU 23 5.315 4.117 -10.167 180 HD23 LEU 23 HD23 LEU 23 5.996 5.735 -9.990 181 H CYS 24 H CYS 24 10.193 7.772 -8.515 182 HA CYS 24 HA CYS 24 11.413 7.007 -5.943 183 HB2 CYS 24 HB2 CYS 24 12.578 7.004 -8.526 184 HB3 CYS 24 HB3 CYS 24 13.298 8.345 -7.641 185 H ILE 25 H ILE 25 11.166 9.685 -8.280 186 HA ILE 25 HA ILE 25 11.934 11.698 -6.450 187 HB ILE 25 HB ILE 25 10.293 11.958 -8.973 188 HG12 ILE 25 HG12 ILE 25 12.760 12.920 -9.569 189 HG13 ILE 25 HG13 ILE 25 13.181 11.652 -8.424 190 HG21 ILE 25 HG21 ILE 25 11.027 14.307 -8.943 191 HG22 ILE 25 HG22 ILE 25 10.023 13.900 -7.553 192 HG23 ILE 25 HG23 ILE 25 11.772 14.038 -7.368 193 HD11 ILE 25 HD11 ILE 25 12.827 10.069 -9.932 194 HD12 ILE 25 HD12 ILE 25 11.252 10.733 -10.365 195 HD13 ILE 25 HD13 ILE 25 12.713 11.358 -11.130 196 H THR 26 H THR 26 8.746 10.622 -7.594 197 HA THR 26 HA THR 26 7.323 12.444 -5.900 198 HB THR 26 HB THR 26 6.653 10.602 -8.009 199 HG1 THR 26 HG1 THR 26 5.280 12.727 -6.697 200 HG21 THR 26 HG21 THR 26 4.442 9.899 -7.142 201 HG22 THR 26 HG22 THR 26 4.908 10.489 -5.546 202 HG23 THR 26 HG23 THR 26 5.782 9.145 -6.279 203 H SER 27 H SER 27 8.239 9.046 -5.749 204 HA SER 27 HA SER 27 6.677 8.289 -3.551 205 HB2 SER 27 HB2 SER 27 8.227 6.898 -5.184 206 HB3 SER 27 HB3 SER 27 9.413 7.133 -3.900 207 HG SER 27 HG SER 27 7.356 5.420 -3.993 208 H CYS 28 H CYS 28 9.695 10.027 -3.759 209 HA CYS 28 HA CYS 28 10.405 9.763 -1.008 210 HB2 CYS 28 HB2 CYS 28 11.606 10.792 -3.335 211 HB3 CYS 28 HB3 CYS 28 11.479 12.151 -2.222 212 H SER 29 H SER 29 8.747 12.242 -2.914 213 HA SER 29 HA SER 29 8.523 14.220 -0.974 214 HB2 SER 29 HB2 SER 29 7.781 14.116 -3.521 215 HB3 SER 29 HB3 SER 29 6.213 13.744 -2.806 216 HG SER 29 HG SER 29 7.078 16.091 -3.171 217 H MET 30 H MET 30 6.709 11.263 -1.407 218 HA MET 30 HA MET 30 4.600 11.927 0.395 219 HB2 MET 30 HB2 MET 30 5.454 9.121 -0.261 220 HB3 MET 30 HB3 MET 30 3.841 9.721 0.099 221 HG2 MET 30 HG2 MET 30 4.535 11.144 -2.141 222 HG3 MET 30 HG3 MET 30 5.258 9.564 -2.433 223 HE1 MET 30 HE1 MET 30 2.209 7.291 -1.608 224 HE2 MET 30 HE2 MET 30 3.333 7.190 -2.964 225 HE3 MET 30 HE3 MET 30 3.932 7.566 -1.347 226 H GLN 31 H GLN 31 7.839 10.979 0.814 227 HA GLN 31 HA GLN 31 7.322 10.095 3.570 228 HB2 GLN 31 HB2 GLN 31 10.043 9.852 2.421 229 HB3 GLN 31 HB3 GLN 31 9.157 8.746 3.463 230 HG2 GLN 31 HG2 GLN 31 7.692 8.477 1.262 231 HG3 GLN 31 HG3 GLN 31 9.218 8.943 0.513 232 HE21 GLN 31 HE21 GLN 31 7.675 6.609 2.631 233 HE22 GLN 31 HE22 GLN 31 8.816 5.338 2.373 234 H ASN 32 H ASN 32 7.510 12.898 2.383 235 HA ASN 32 HA ASN 32 8.217 14.941 3.094 236 HB2 ASN 32 HB2 ASN 32 7.953 13.535 5.380 237 HB3 ASN 32 HB3 ASN 32 9.677 13.887 5.450 238 HD21 ASN 32 HD21 ASN 32 9.420 15.234 7.223 239 HD22 ASN 32 HD22 ASN 32 8.719 16.807 7.090 240 H CYS 33 H CYS 33 9.801 13.546 1.255 241 HA CYS 33 HA CYS 33 12.542 14.259 2.056 242 HB2 CYS 33 HB2 CYS 33 11.524 12.355 -0.058 243 HB3 CYS 33 HB3 CYS 33 13.215 12.816 0.099 244 H GLY 34 H GLY 34 13.809 14.600 -0.270 245 HA2 GLY 34 HA2 GLY 34 12.454 16.958 -1.405 246 HA3 GLY 34 HA3 GLY 34 14.195 16.731 -1.336 247 H THR 35 H THR 35 14.759 14.444 -2.452 248 HA THR 35 HA THR 35 13.247 14.134 -4.928 249 HB THR 35 HB THR 35 15.031 15.875 -5.326 250 HG1 THR 35 HG1 THR 35 14.514 15.000 -7.208 251 HG21 THR 35 HG21 THR 35 17.287 15.373 -5.248 252 HG22 THR 35 HG22 THR 35 17.011 13.634 -5.351 253 HG23 THR 35 HG23 THR 35 16.682 14.491 -3.846 254 H GLY 36 H GLY 36 14.584 12.404 -6.334 255 HA2 GLY 36 HA2 GLY 36 16.014 10.429 -4.850 256 HA3 GLY 36 HA3 GLY 36 14.335 9.962 -5.080 257 H SER 37 H SER 37 17.233 9.324 -6.228 258 HA SER 37 HA SER 37 16.315 9.102 -9.020 259 HB2 SER 37 HB2 SER 37 18.482 10.516 -8.232 260 HB3 SER 37 HB3 SER 37 19.222 8.934 -8.475 261 HG SER 37 HG SER 37 17.849 10.547 -10.344 262 H CYS 38 H CYS 38 16.657 7.172 -10.105 263 HA CYS 38 HA CYS 38 17.388 4.894 -8.386 264 HB2 CYS 38 HB2 CYS 38 15.863 3.533 -9.611 265 HB3 CYS 38 HB3 CYS 38 15.006 5.021 -9.227 266 H LYS 39 H LYS 39 18.794 3.349 -9.137 267 HA LYS 39 HA LYS 39 19.863 3.593 -11.840 268 HB2 LYS 39 HB2 LYS 39 21.722 3.550 -9.464 269 HB3 LYS 39 HB3 LYS 39 22.142 3.784 -11.156 270 HG2 LYS 39 HG2 LYS 39 21.069 5.942 -11.170 271 HG3 LYS 39 HG3 LYS 39 20.497 5.702 -9.517 272 HD2 LYS 39 HD2 LYS 39 22.638 5.910 -8.618 273 HD3 LYS 39 HD3 LYS 39 23.422 5.584 -10.166 274 HE2 LYS 39 HE2 LYS 39 21.832 7.862 -10.560 275 HE3 LYS 39 HE3 LYS 39 22.638 8.095 -9.010 276 HZ1 LYS 39 HZ1 LYS 39 23.937 7.520 -11.617 277 HZ2 LYS 39 HZ2 LYS 39 24.755 7.577 -10.138 278 HZ3 LYS 39 HZ3 LYS 39 24.009 8.969 -10.745 279 H LYS 40 H LYS 40 20.747 1.705 -12.648 280 HA LYS 40 HA LYS 40 19.834 -0.715 -11.500 281 HB2 LYS 40 HB2 LYS 40 21.291 0.105 -13.914 282 HB3 LYS 40 HB3 LYS 40 21.718 -1.499 -13.332 283 HG2 LYS 40 HG2 LYS 40 18.901 -0.588 -13.872 284 HG3 LYS 40 HG3 LYS 40 19.902 -1.480 -15.020 285 HD2 LYS 40 HD2 LYS 40 20.166 -3.175 -13.064 286 HD3 LYS 40 HD3 LYS 40 18.720 -2.389 -12.424 287 HE2 LYS 40 HE2 LYS 40 17.739 -4.035 -13.661 288 HE3 LYS 40 HE3 LYS 40 17.857 -2.780 -14.893 289 HZ1 LYS 40 HZ1 LYS 40 18.685 -4.673 -15.923 290 HZ2 LYS 40 HZ2 LYS 40 19.533 -5.187 -14.552 291 HZ3 LYS 40 HZ3 LYS 40 20.088 -3.859 -15.441 292 H ARG 41 H ARG 41 20.663 -1.599 -9.726 293 HA ARG 41 HA ARG 41 23.525 -1.307 -9.176 294 HB2 ARG 41 HB2 ARG 41 21.241 -2.216 -7.417 295 HB3 ARG 41 HB3 ARG 41 22.922 -2.147 -6.906 296 HG2 ARG 41 HG2 ARG 41 21.305 0.216 -7.838 297 HG3 ARG 41 HG3 ARG 41 21.606 -0.212 -6.152 298 HD2 ARG 41 HD2 ARG 41 23.725 0.436 -8.199 299 HD3 ARG 41 HD3 ARG 41 23.128 1.544 -6.964 300 HE ARG 41 HE ARG 41 24.038 -0.825 -5.744 301 HH11 ARG 41 HH11 ARG 41 25.235 2.003 -7.385 302 HH12 ARG 41 HH12 ARG 41 26.761 1.992 -6.564 303 HH21 ARG 41 HH21 ARG 41 26.043 -0.849 -4.658 304 HH22 ARG 41 HH22 ARG 41 27.220 0.369 -5.014 305 H SER 42 H SER 42 24.694 -2.866 -10.110 306 HA SER 42 HA SER 42 25.462 -4.921 -10.714 307 HB2 SER 42 HB2 SER 42 24.718 -5.105 -8.051 308 HB3 SER 42 HB3 SER 42 23.925 -6.495 -8.793 309 HG SER 42 HG SER 42 26.151 -6.813 -8.039 310 H GLY 43 H GLY 43 22.985 -3.919 -11.899 311 HA2 GLY 43 HA2 GLY 43 21.722 -4.805 -13.656 312 HA3 GLY 43 HA3 GLY 43 22.120 -6.423 -13.095 313 H ARG 44 H ARG 44 21.016 -4.317 -10.656 314 HA ARG 44 HA ARG 44 18.327 -5.514 -10.817 315 HB2 ARG 44 HB2 ARG 44 19.962 -4.861 -8.359 316 HB3 ARG 44 HB3 ARG 44 18.287 -5.395 -8.331 317 HG2 ARG 44 HG2 ARG 44 20.481 -7.016 -9.586 318 HG3 ARG 44 HG3 ARG 44 20.039 -7.153 -7.882 319 HD2 ARG 44 HD2 ARG 44 17.662 -7.557 -8.699 320 HD3 ARG 44 HD3 ARG 44 18.365 -7.767 -10.302 321 HE ARG 44 HE ARG 44 19.691 -9.407 -8.415 322 HH11 ARG 44 HH11 ARG 44 16.717 -9.136 -10.204 323 HH12 ARG 44 HH12 ARG 44 16.418 -10.843 -10.218 324 HH21 ARG 44 HH21 ARG 44 19.308 -11.656 -8.426 325 HH22 ARG 44 HH22 ARG 44 17.892 -12.275 -9.205 326 HA PRO 45 HA PRO 45 16.875 -1.344 -11.017 327 HB2 PRO 45 HB2 PRO 45 14.253 -1.859 -10.535 328 HB3 PRO 45 HB3 PRO 45 15.032 -2.209 -12.082 329 HG2 PRO 45 HG2 PRO 45 14.422 -4.057 -9.807 330 HG3 PRO 45 HG3 PRO 45 14.221 -4.322 -11.549 331 HD2 PRO 45 HD2 PRO 45 16.322 -5.313 -10.158 332 HD3 PRO 45 HD3 PRO 45 16.450 -4.820 -11.858 333 H THR 46 H THR 46 17.984 -0.647 -9.091 334 HA THR 46 HA THR 46 16.409 -0.799 -6.616 335 HB THR 46 HB THR 46 19.291 0.020 -7.028 336 HG1 THR 46 HG1 THR 46 19.712 -1.964 -5.997 337 HG21 THR 46 HG21 THR 46 18.938 1.147 -5.103 338 HG22 THR 46 HG22 THR 46 19.022 -0.455 -4.370 339 HG23 THR 46 HG23 THR 46 17.455 0.265 -4.740 340 H CYS 47 H CYS 47 15.418 0.942 -5.806 341 HA CYS 47 HA CYS 47 15.764 3.492 -7.210 342 HB2 CYS 47 HB2 CYS 47 13.482 2.163 -6.598 343 HB3 CYS 47 HB3 CYS 47 13.618 3.217 -5.194 344 H VAL 48 H VAL 48 16.970 5.010 -6.308 345 HA VAL 48 HA VAL 48 17.384 4.946 -3.394 346 HB VAL 48 HB VAL 48 19.118 6.493 -5.293 347 HG11 VAL 48 HG11 VAL 48 19.834 7.090 -3.234 348 HG12 VAL 48 HG12 VAL 48 19.204 5.628 -2.471 349 HG13 VAL 48 HG13 VAL 48 20.731 5.577 -3.353 350 HG21 VAL 48 HG21 VAL 48 18.949 3.570 -4.981 351 HG22 VAL 48 HG22 VAL 48 19.583 4.535 -6.315 352 HG23 VAL 48 HG23 VAL 48 20.572 4.254 -4.882 353 H CYS 49 H CYS 49 17.253 6.847 -2.186 354 HA CYS 49 HA CYS 49 15.833 9.057 -3.523 355 HB2 CYS 49 HB2 CYS 49 15.227 7.548 -1.128 356 HB3 CYS 49 HB3 CYS 49 15.375 9.264 -0.765 357 H TYR 50 H TYR 50 16.107 11.194 -2.408 358 HA TYR 50 HA TYR 50 18.551 11.561 -0.906 359 HB2 TYR 50 HB2 TYR 50 18.247 12.718 -3.684 360 HB3 TYR 50 HB3 TYR 50 19.504 13.174 -2.540 361 HD1 TYR 50 HD1 TYR 50 18.340 10.620 -4.870 362 HD2 TYR 50 HD2 TYR 50 21.308 11.610 -1.986 363 HE1 TYR 50 HE1 TYR 50 19.750 8.784 -5.700 364 HE2 TYR 50 HE2 TYR 50 22.727 9.777 -2.809 365 HH TYR 50 HH TYR 50 22.250 7.503 -4.064 366 H ARG 51 H ARG 51 18.924 14.028 -0.600 367 HA ARG 51 HA ARG 51 18.140 15.902 0.435 368 HB2 ARG 51 HB2 ARG 51 16.056 15.719 -1.749 369 HB3 ARG 51 HB3 ARG 51 16.426 17.153 -0.801 370 HG2 ARG 51 HG2 ARG 51 18.877 16.511 -1.792 371 HG3 ARG 51 HG3 ARG 51 17.811 16.010 -3.107 372 HD2 ARG 51 HD2 ARG 51 17.238 18.126 -3.616 373 HD3 ARG 51 HD3 ARG 51 17.170 18.619 -1.924 374 HE ARG 51 HE ARG 51 19.404 18.867 -3.715 375 HH11 ARG 51 HH11 ARG 51 18.413 18.643 -0.385 376 HH12 ARG 51 HH12 ARG 51 19.827 19.438 0.225 377 HH21 ARG 51 HH21 ARG 51 21.270 19.914 -2.924 378 HH22 ARG 51 HH22 ARG 51 21.451 20.161 -1.220 379 H CYS 52 H CYS 52 17.119 13.317 1.372 380 HA CYS 52 HA CYS 52 14.361 13.617 2.046 381 HB2 CYS 52 HB2 CYS 52 16.034 11.501 2.007 382 HB3 CYS 52 HB3 CYS 52 16.074 11.878 3.727 383 H ALA 53 H ALA 53 13.770 13.397 4.489 384 HA ALA 53 HA ALA 53 15.137 15.595 5.889 385 HB1 ALA 53 HB1 ALA 53 12.985 16.339 5.711 386 HB2 ALA 53 HB2 ALA 53 12.300 14.714 5.763 387 HB3 ALA 53 HB3 ALA 53 12.879 15.475 7.245 388 H ASN 54 H ASN 54 14.148 12.267 6.115 389 HA ASN 54 HA ASN 54 14.881 12.106 8.932 390 HB2 ASN 54 HB2 ASN 54 13.017 10.758 7.372 391 HB3 ASN 54 HB3 ASN 54 14.296 9.572 7.616 392 HD21 ASN 54 HD21 ASN 54 13.475 8.242 9.091 393 HD22 ASN 54 HD22 ASN 54 12.878 8.718 10.641 394 H GLY 55 H GLY 55 16.782 12.555 6.583 395 HA2 GLY 55 HA2 GLY 55 18.997 11.203 7.615 396 HA3 GLY 55 HA3 GLY 55 18.385 10.251 6.271 397 H GLY 56 H GLY 56 17.455 12.662 4.835 398 HA2 GLY 56 HA2 GLY 56 18.252 14.105 3.239 399 HA3 GLY 56 HA3 GLY 56 19.548 14.467 4.369 400 H GLY 57 H GLY 57 18.575 11.747 2.266 401 HA2 GLY 57 HA2 GLY 57 20.606 11.820 0.445 402 HA3 GLY 57 HA3 GLY 57 21.315 10.993 1.824 403 H ASP 58 H ASP 58 21.525 8.983 0.951 404 HA ASP 58 HA ASP 58 19.560 7.696 -0.617 405 HB2 ASP 58 HB2 ASP 58 20.882 5.605 -0.028 406 HB3 ASP 58 HB3 ASP 58 21.787 6.900 -0.807 407 H ILE 59 H ILE 59 17.570 7.348 0.149 408 HA ILE 59 HA ILE 59 17.307 5.773 2.603 409 HB ILE 59 HB ILE 59 15.457 8.087 2.073 410 HG12 ILE 59 HG12 ILE 59 17.860 8.817 2.432 411 HG13 ILE 59 HG13 ILE 59 16.690 9.451 3.585 412 HG21 ILE 59 HG21 ILE 59 15.876 6.124 4.277 413 HG22 ILE 59 HG22 ILE 59 15.237 7.723 4.653 414 HG23 ILE 59 HG23 ILE 59 14.377 6.673 3.528 415 HD11 ILE 59 HD11 ILE 59 17.574 8.302 5.319 416 HD12 ILE 59 HD12 ILE 59 18.073 6.943 4.312 417 HD13 ILE 59 HD13 ILE 59 19.022 8.429 4.321 418 HA PRO 60 HA PRO 60 14.809 3.716 -0.557 419 HB2 PRO 60 HB2 PRO 60 14.742 1.335 0.747 420 HB3 PRO 60 HB3 PRO 60 16.116 1.853 -0.237 421 HG2 PRO 60 HG2 PRO 60 15.769 1.958 2.734 422 HG3 PRO 60 HG3 PRO 60 17.190 1.475 1.790 423 HD2 PRO 60 HD2 PRO 60 16.959 3.922 2.927 424 HD3 PRO 60 HD3 PRO 60 17.830 3.655 1.403 425 H LEU 61 H LEU 61 12.657 3.036 -0.619 426 HA LEU 61 HA LEU 61 10.845 4.240 1.067 427 HB2 LEU 61 HB2 LEU 61 10.451 1.709 -0.522 428 HB3 LEU 61 HB3 LEU 61 9.162 2.719 0.130 429 HG LEU 61 HG LEU 61 11.058 3.346 -2.120 430 HD11 LEU 61 HD11 LEU 61 8.215 2.640 -1.842 431 HD12 LEU 61 HD12 LEU 61 9.327 2.383 -3.186 432 HD13 LEU 61 HD13 LEU 61 8.569 3.959 -2.958 433 HD21 LEU 61 HD21 LEU 61 9.414 5.178 -0.424 434 HD22 LEU 61 HD22 LEU 61 9.662 5.537 -2.132 435 HD23 LEU 61 HD23 LEU 61 11.048 5.394 -1.050 436 H GLY 62 H GLY 62 12.596 1.299 1.534 437 HA2 GLY 62 HA2 GLY 62 10.853 0.170 3.507 438 HA3 GLY 62 HA3 GLY 62 12.504 -0.328 3.168 439 H ALA 63 H ALA 63 13.687 2.259 3.604 440 HA ALA 63 HA ALA 63 13.930 2.124 6.466 441 HB1 ALA 63 HB1 ALA 63 15.623 3.893 6.171 442 HB2 ALA 63 HB2 ALA 63 15.907 2.499 5.128 443 HB3 ALA 63 HB3 ALA 63 15.210 3.974 4.458 444 H LEU 64 H LEU 64 12.200 4.066 4.184 445 HA LEU 64 HA LEU 64 11.636 6.144 6.148 446 HB2 LEU 64 HB2 LEU 64 11.342 5.835 3.231 447 HB3 LEU 64 HB3 LEU 64 10.092 6.785 4.030 448 HG LEU 64 HG LEU 64 12.939 7.451 4.588 449 HD11 LEU 64 HD11 LEU 64 11.691 8.738 2.231 450 HD12 LEU 64 HD12 LEU 64 12.361 7.122 2.014 451 HD13 LEU 64 HD13 LEU 64 13.390 8.432 2.593 452 HD21 LEU 64 HD21 LEU 64 11.250 9.664 4.026 453 HD22 LEU 64 HD22 LEU 64 11.959 9.181 5.568 454 HD23 LEU 64 HD23 LEU 64 10.378 8.559 5.090 455 H ILE 65 H ILE 65 10.559 3.165 5.815 456 HA ILE 65 HA ILE 65 7.796 3.254 5.524 457 HB ILE 65 HB ILE 65 9.516 1.430 7.198 458 HG12 ILE 65 HG12 ILE 65 8.078 1.009 4.569 459 HG13 ILE 65 HG13 ILE 65 9.800 1.328 4.741 460 HG21 ILE 65 HG21 ILE 65 7.507 -0.068 7.237 461 HG22 ILE 65 HG22 ILE 65 7.373 1.382 8.230 462 HG23 ILE 65 HG23 ILE 65 6.556 1.304 6.669 463 HD11 ILE 65 HD11 ILE 65 8.299 -1.092 5.702 464 HD12 ILE 65 HD12 ILE 65 9.481 -1.010 4.395 465 HD13 ILE 65 HD13 ILE 65 9.993 -0.761 6.064 466 H LYS 66 H LYS 66 6.482 4.604 6.565 467 HA LYS 66 HA LYS 66 7.020 5.449 9.277 468 HB2 LYS 66 HB2 LYS 66 4.632 6.060 7.526 469 HB3 LYS 66 HB3 LYS 66 5.085 6.895 9.006 470 HG2 LYS 66 HG2 LYS 66 6.819 8.018 8.007 471 HG3 LYS 66 HG3 LYS 66 7.023 6.800 6.746 472 HD2 LYS 66 HD2 LYS 66 4.531 8.460 6.901 473 HD3 LYS 66 HD3 LYS 66 5.986 9.076 6.113 474 HE2 LYS 66 HE2 LYS 66 5.472 7.941 4.276 475 HE3 LYS 66 HE3 LYS 66 5.540 6.432 5.185 476 HZ1 LYS 66 HZ1 LYS 66 3.334 7.441 3.993 477 HZ2 LYS 66 HZ2 LYS 66 3.114 7.918 5.601 478 HZ3 LYS 66 HZ3 LYS 66 3.328 6.282 5.226 479 H ARG 67 H ARG 67 5.786 2.704 8.072 480 HA ARG 67 HA ARG 67 4.566 0.997 8.952 481 HB2 ARG 67 HB2 ARG 67 5.663 2.265 11.140 482 HB3 ARG 67 HB3 ARG 67 3.948 2.241 11.527 483 HG2 ARG 67 HG2 ARG 67 5.650 -0.145 10.838 484 HG3 ARG 67 HG3 ARG 67 5.057 0.295 12.441 485 HD2 ARG 67 HD2 ARG 67 2.749 0.036 11.638 486 HD3 ARG 67 HD3 ARG 67 3.363 -0.440 10.056 487 HE ARG 67 HE ARG 67 4.462 -2.104 12.049 488 HH11 ARG 67 HH11 ARG 67 1.470 -1.470 10.386 489 HH12 ARG 67 HH12 ARG 67 0.875 -3.087 10.568 490 HH21 ARG 67 HH21 ARG 67 3.690 -4.236 12.296 491 HH22 ARG 67 HH22 ARG 67 2.138 -4.659 11.656 492 H GLY 68 H GLY 68 3.369 3.656 7.896 493 HA2 GLY 68 HA2 GLY 68 1.118 3.800 7.110 494 HA3 GLY 68 HA3 GLY 68 0.600 2.907 8.532 Start of MODEL 3 1 H MET 1 H MET 1 4.388 -1.548 2.168 2 HA MET 1 HA MET 1 2.176 -2.411 3.189 3 HB2 MET 1 HB2 MET 1 1.382 0.042 2.293 4 HB3 MET 1 HB3 MET 1 0.822 -0.998 0.990 5 HG2 MET 1 HG2 MET 1 -0.926 -1.605 2.191 6 HG3 MET 1 HG3 MET 1 0.131 -2.208 3.466 7 HE1 MET 1 HE1 MET 1 -1.875 -0.686 5.881 8 HE2 MET 1 HE2 MET 1 -2.948 -0.387 4.514 9 HE3 MET 1 HE3 MET 1 -2.005 -1.877 4.586 10 H ASP 2 H ASP 2 3.620 -1.726 0.097 11 HA ASP 2 HA ASP 2 3.205 -4.493 -0.697 12 HB2 ASP 2 HB2 ASP 2 1.342 -2.860 -1.608 13 HB3 ASP 2 HB3 ASP 2 2.593 -2.428 -2.770 14 H ILE 3 H ILE 3 4.758 -5.271 -2.110 15 HA ILE 3 HA ILE 3 7.065 -3.494 -2.488 16 HB ILE 3 HB ILE 3 7.186 -6.458 -2.896 17 HG12 ILE 3 HG12 ILE 3 7.378 -5.043 -0.228 18 HG13 ILE 3 HG13 ILE 3 6.085 -6.130 -0.720 19 HG21 ILE 3 HG21 ILE 3 9.502 -6.028 -1.969 20 HG22 ILE 3 HG22 ILE 3 9.148 -5.320 -3.544 21 HG23 ILE 3 HG23 ILE 3 9.131 -4.309 -2.099 22 HD11 ILE 3 HD11 ILE 3 8.437 -7.573 -1.099 23 HD12 ILE 3 HD12 ILE 3 8.638 -6.733 0.439 24 HD13 ILE 3 HD13 ILE 3 7.243 -7.780 0.182 25 H ASP 4 H ASP 4 8.359 -3.826 -4.473 26 HA ASP 4 HA ASP 4 7.014 -4.945 -6.772 27 HB2 ASP 4 HB2 ASP 4 7.373 -1.971 -6.436 28 HB3 ASP 4 HB3 ASP 4 7.221 -2.721 -8.023 29 H PHE 5 H PHE 5 8.459 -5.696 -8.195 30 HA PHE 5 HA PHE 5 11.262 -5.353 -7.645 31 HB2 PHE 5 HB2 PHE 5 10.427 -7.540 -8.318 32 HB3 PHE 5 HB3 PHE 5 9.834 -6.874 -9.836 33 HD1 PHE 5 HD1 PHE 5 13.037 -6.945 -7.916 34 HD2 PHE 5 HD2 PHE 5 11.098 -7.329 -11.685 35 HE1 PHE 5 HE1 PHE 5 15.201 -7.447 -8.974 36 HE2 PHE 5 HE2 PHE 5 13.259 -7.832 -12.749 37 HZ PHE 5 HZ PHE 5 15.314 -7.892 -11.393 38 H SER 6 H SER 6 9.026 -4.419 -10.219 39 HA SER 6 HA SER 6 11.147 -3.006 -11.632 40 HB2 SER 6 HB2 SER 6 9.554 -4.298 -12.966 41 HB3 SER 6 HB3 SER 6 8.215 -3.360 -12.305 42 HG SER 6 HG SER 6 8.574 -2.087 -13.933 43 H THR 7 H THR 7 11.668 -1.054 -10.913 44 HA THR 7 HA THR 7 9.554 0.909 -10.488 45 HB THR 7 HB THR 7 11.167 1.624 -8.430 46 HG1 THR 7 HG1 THR 7 11.023 -1.222 -8.336 47 HG21 THR 7 HG21 THR 7 9.332 -0.075 -7.218 48 HG22 THR 7 HG22 THR 7 8.575 0.364 -8.749 49 HG23 THR 7 HG23 THR 7 9.083 1.623 -7.623 50 H CYS 8 H CYS 8 12.014 0.215 -12.251 51 HA CYS 8 HA CYS 8 13.016 2.971 -12.337 52 HB2 CYS 8 HB2 CYS 8 14.607 1.254 -11.191 53 HB3 CYS 8 HB3 CYS 8 14.893 0.681 -12.831 54 H ALA 9 H ALA 9 13.872 3.606 -14.407 55 HA ALA 9 HA ALA 9 12.338 2.582 -16.579 56 HB1 ALA 9 HB1 ALA 9 13.095 4.383 -17.792 57 HB2 ALA 9 HB2 ALA 9 13.264 4.986 -16.143 58 HB3 ALA 9 HB3 ALA 9 14.676 4.383 -17.010 59 H ARG 10 H ARG 10 15.307 1.681 -15.217 60 HA ARG 10 HA ARG 10 16.356 0.551 -17.692 61 HB2 ARG 10 HB2 ARG 10 17.545 0.330 -14.927 62 HB3 ARG 10 HB3 ARG 10 18.354 0.080 -16.468 63 HG2 ARG 10 HG2 ARG 10 17.264 2.712 -15.494 64 HG3 ARG 10 HG3 ARG 10 18.955 2.213 -15.413 65 HD2 ARG 10 HD2 ARG 10 18.242 1.780 -18.057 66 HD3 ARG 10 HD3 ARG 10 17.439 3.293 -17.637 67 HE ARG 10 HE ARG 10 20.101 3.376 -16.739 68 HH11 ARG 10 HH11 ARG 10 18.254 3.411 -19.690 69 HH12 ARG 10 HH12 ARG 10 19.433 4.327 -20.570 70 HH21 ARG 10 HH21 ARG 10 21.661 4.581 -17.887 71 HH22 ARG 10 HH22 ARG 10 21.370 4.991 -19.544 72 H MET 11 H MET 11 13.874 -0.430 -16.362 73 HA MET 11 HA MET 11 14.565 -3.039 -15.332 74 HB2 MET 11 HB2 MET 11 12.212 -1.351 -15.410 75 HB3 MET 11 HB3 MET 11 11.823 -2.998 -15.888 76 HG2 MET 11 HG2 MET 11 13.455 -2.540 -13.440 77 HG3 MET 11 HG3 MET 11 11.715 -2.268 -13.386 78 HE1 MET 11 HE1 MET 11 13.891 -6.272 -13.892 79 HE2 MET 11 HE2 MET 11 14.056 -5.040 -15.142 80 HE3 MET 11 HE3 MET 11 14.609 -4.709 -13.500 81 H ASP 12 H ASP 12 12.307 -2.131 -17.935 82 HA ASP 12 HA ASP 12 13.614 -3.870 -19.824 83 HB2 ASP 12 HB2 ASP 12 11.845 -5.134 -18.190 84 HB3 ASP 12 HB3 ASP 12 10.782 -4.636 -19.503 85 H VAL 13 H VAL 13 10.804 -1.907 -18.996 86 HA VAL 13 HA VAL 13 10.560 -1.141 -21.830 87 HB VAL 13 HB VAL 13 8.281 -0.263 -21.115 88 HG11 VAL 13 HG11 VAL 13 8.977 -3.184 -21.149 89 HG12 VAL 13 HG12 VAL 13 7.306 -2.623 -21.059 90 HG13 VAL 13 HG13 VAL 13 8.308 -2.194 -22.446 91 HG21 VAL 13 HG21 VAL 13 8.138 -2.172 -18.912 92 HG22 VAL 13 HG22 VAL 13 9.196 -0.800 -18.586 93 HG23 VAL 13 HG23 VAL 13 7.511 -0.528 -19.029 94 HA PRO 14 HA PRO 14 12.339 2.564 -19.720 95 HB2 PRO 14 HB2 PRO 14 13.943 3.247 -21.801 96 HB3 PRO 14 HB3 PRO 14 14.422 2.082 -20.561 97 HG2 PRO 14 HG2 PRO 14 13.342 1.587 -23.309 98 HG3 PRO 14 HG3 PRO 14 14.673 0.772 -22.466 99 HD2 PRO 14 HD2 PRO 14 12.192 -0.298 -22.651 100 HD3 PRO 14 HD3 PRO 14 13.247 -0.568 -21.249 101 H ILE 15 H ILE 15 10.440 1.931 -22.451 102 HA ILE 15 HA ILE 15 10.266 4.325 -23.804 103 HB ILE 15 HB ILE 15 7.947 2.510 -23.132 104 HG12 ILE 15 HG12 ILE 15 9.760 1.248 -24.154 105 HG13 ILE 15 HG13 ILE 15 8.450 1.446 -25.312 106 HG21 ILE 15 HG21 ILE 15 8.341 4.581 -25.284 107 HG22 ILE 15 HG22 ILE 15 7.043 3.388 -25.293 108 HG23 ILE 15 HG23 ILE 15 7.135 4.581 -23.997 109 HD11 ILE 15 HD11 ILE 15 11.209 2.324 -25.449 110 HD12 ILE 15 HD12 ILE 15 10.018 2.113 -26.733 111 HD13 ILE 15 HD13 ILE 15 10.063 3.615 -25.811 112 H LEU 16 H LEU 16 9.019 3.494 -20.655 113 HA LEU 16 HA LEU 16 7.869 6.198 -20.432 114 HB2 LEU 16 HB2 LEU 16 7.060 3.614 -19.125 115 HB3 LEU 16 HB3 LEU 16 6.506 5.186 -18.553 116 HG LEU 16 HG LEU 16 6.039 4.350 -21.392 117 HD11 LEU 16 HD11 LEU 16 4.093 3.194 -20.876 118 HD12 LEU 16 HD12 LEU 16 4.040 3.817 -19.227 119 HD13 LEU 16 HD13 LEU 16 5.241 2.605 -19.673 120 HD21 LEU 16 HD21 LEU 16 5.084 6.352 -21.439 121 HD22 LEU 16 HD22 LEU 16 5.359 6.573 -19.711 122 HD23 LEU 16 HD23 LEU 16 3.893 5.771 -20.276 123 H LYS 17 H LYS 17 10.374 6.410 -20.020 124 HA LYS 17 HA LYS 17 11.525 5.600 -17.618 125 HB2 LYS 17 HB2 LYS 17 11.996 8.020 -19.352 126 HB3 LYS 17 HB3 LYS 17 12.957 7.697 -17.915 127 HG2 LYS 17 HG2 LYS 17 14.251 6.311 -19.051 128 HG3 LYS 17 HG3 LYS 17 12.855 5.337 -19.515 129 HD2 LYS 17 HD2 LYS 17 12.432 6.899 -21.384 130 HD3 LYS 17 HD3 LYS 17 13.891 7.788 -20.940 131 HE2 LYS 17 HE2 LYS 17 14.679 5.115 -21.123 132 HE3 LYS 17 HE3 LYS 17 13.607 5.375 -22.498 133 HZ1 LYS 17 HZ1 LYS 17 15.083 7.553 -22.668 134 HZ2 LYS 17 HZ2 LYS 17 15.524 6.100 -23.413 135 HZ3 LYS 17 HZ3 LYS 17 16.219 6.537 -21.934 136 H LYS 18 H LYS 18 9.690 8.547 -18.361 137 HA LYS 18 HA LYS 18 9.926 9.824 -15.903 138 HB2 LYS 18 HB2 LYS 18 8.766 10.511 -18.190 139 HB3 LYS 18 HB3 LYS 18 7.322 9.959 -17.352 140 HG2 LYS 18 HG2 LYS 18 7.685 11.555 -15.583 141 HG3 LYS 18 HG3 LYS 18 9.219 12.050 -16.302 142 HD2 LYS 18 HD2 LYS 18 7.529 12.408 -18.393 143 HD3 LYS 18 HD3 LYS 18 6.460 12.767 -17.035 144 HE2 LYS 18 HE2 LYS 18 9.183 14.006 -17.396 145 HE3 LYS 18 HE3 LYS 18 7.691 14.741 -17.980 146 HZ1 LYS 18 HZ1 LYS 18 8.503 15.513 -15.747 147 HZ2 LYS 18 HZ2 LYS 18 8.092 13.987 -15.144 148 HZ3 LYS 18 HZ3 LYS 18 6.895 14.990 -15.795 149 H ALA 19 H ALA 19 7.736 7.268 -16.929 150 HA ALA 19 HA ALA 19 6.097 7.339 -14.600 151 HB1 ALA 19 HB1 ALA 19 4.998 5.487 -15.475 152 HB2 ALA 19 HB2 ALA 19 5.578 6.328 -16.913 153 HB3 ALA 19 HB3 ALA 19 6.436 4.908 -16.317 154 H ALA 20 H ALA 20 8.819 5.298 -15.621 155 HA ALA 20 HA ALA 20 8.838 3.612 -13.369 156 HB1 ALA 20 HB1 ALA 20 10.653 2.654 -14.308 157 HB2 ALA 20 HB2 ALA 20 10.158 3.606 -15.708 158 HB3 ALA 20 HB3 ALA 20 11.433 4.200 -14.644 159 H GLN 21 H GLN 21 10.643 6.592 -14.073 160 HA GLN 21 HA GLN 21 12.087 6.615 -11.637 161 HB2 GLN 21 HB2 GLN 21 11.733 8.377 -13.939 162 HB3 GLN 21 HB3 GLN 21 11.929 9.259 -12.429 163 HG2 GLN 21 HG2 GLN 21 14.047 8.345 -12.038 164 HG3 GLN 21 HG3 GLN 21 13.809 7.068 -13.230 165 HE21 GLN 21 HE21 GLN 21 15.620 7.542 -14.413 166 HE22 GLN 21 HE22 GLN 21 15.783 8.979 -15.357 167 H GLY 22 H GLY 22 8.925 7.758 -12.572 168 HA2 GLY 22 HA2 GLY 22 8.393 9.602 -10.561 169 HA3 GLY 22 HA3 GLY 22 7.182 8.583 -11.326 170 H LEU 23 H LEU 23 8.533 6.119 -10.387 171 HA LEU 23 HA LEU 23 7.161 5.890 -7.893 172 HB2 LEU 23 HB2 LEU 23 9.122 3.945 -9.090 173 HB3 LEU 23 HB3 LEU 23 7.869 3.605 -7.899 174 HG LEU 23 HG LEU 23 7.528 4.197 -10.830 175 HD11 LEU 23 HD11 LEU 23 7.862 1.947 -10.713 176 HD12 LEU 23 HD12 LEU 23 6.125 1.997 -10.412 177 HD13 LEU 23 HD13 LEU 23 7.249 1.826 -9.064 178 HD21 LEU 23 HD21 LEU 23 5.722 5.368 -10.053 179 HD22 LEU 23 HD22 LEU 23 5.592 4.409 -8.578 180 HD23 LEU 23 HD23 LEU 23 5.035 3.745 -10.115 181 H CYS 24 H CYS 24 9.932 7.413 -8.528 182 HA CYS 24 HA CYS 24 11.136 6.666 -5.943 183 HB2 CYS 24 HB2 CYS 24 12.314 6.635 -8.520 184 HB3 CYS 24 HB3 CYS 24 13.034 7.982 -7.644 185 H ILE 25 H ILE 25 10.905 9.324 -8.306 186 HA ILE 25 HA ILE 25 11.676 11.351 -6.493 187 HB ILE 25 HB ILE 25 10.043 11.590 -9.023 188 HG12 ILE 25 HG12 ILE 25 12.507 12.545 -9.627 189 HG13 ILE 25 HG13 ILE 25 12.932 11.300 -8.457 190 HG21 ILE 25 HG21 ILE 25 10.756 13.938 -9.015 191 HG22 ILE 25 HG22 ILE 25 9.776 13.542 -7.604 192 HG23 ILE 25 HG23 ILE 25 11.526 13.690 -7.448 193 HD11 ILE 25 HD11 ILE 25 11.010 10.353 -10.403 194 HD12 ILE 25 HD12 ILE 25 12.496 10.942 -11.152 195 HD13 ILE 25 HD13 ILE 25 12.567 9.678 -9.924 196 H THR 26 H THR 26 8.487 10.272 -7.632 197 HA THR 26 HA THR 26 7.066 12.116 -5.960 198 HB THR 26 HB THR 26 6.394 10.251 -8.049 199 HG1 THR 26 HG1 THR 26 5.893 12.653 -7.534 200 HG21 THR 26 HG21 THR 26 5.519 8.816 -6.303 201 HG22 THR 26 HG22 THR 26 4.181 9.563 -7.177 202 HG23 THR 26 HG23 THR 26 4.646 10.171 -5.588 203 H SER 27 H SER 27 7.974 8.718 -5.769 204 HA SER 27 HA SER 27 6.407 7.988 -3.565 205 HB2 SER 27 HB2 SER 27 7.958 6.577 -5.178 206 HB3 SER 27 HB3 SER 27 9.143 6.827 -3.896 207 HG SER 27 HG SER 27 7.021 5.155 -3.963 208 H CYS 28 H CYS 28 9.423 9.726 -3.787 209 HA CYS 28 HA CYS 28 10.128 9.492 -1.031 210 HB2 CYS 28 HB2 CYS 28 11.339 10.487 -3.365 211 HB3 CYS 28 HB3 CYS 28 11.204 11.865 -2.277 212 H SER 29 H SER 29 8.484 11.955 -2.971 213 HA SER 29 HA SER 29 8.254 13.952 -1.051 214 HB2 SER 29 HB2 SER 29 7.527 13.829 -3.600 215 HB3 SER 29 HB3 SER 29 5.954 13.461 -2.893 216 HG SER 29 HG SER 29 5.766 15.494 -2.446 217 H MET 30 H MET 30 6.436 10.995 -1.464 218 HA MET 30 HA MET 30 4.316 11.680 0.316 219 HB2 MET 30 HB2 MET 30 5.178 8.866 -0.300 220 HB3 MET 30 HB3 MET 30 3.562 9.467 0.045 221 HG2 MET 30 HG2 MET 30 4.273 10.864 -2.211 222 HG3 MET 30 HG3 MET 30 4.988 9.276 -2.478 223 HE1 MET 30 HE1 MET 30 2.898 10.798 -4.128 224 HE2 MET 30 HE2 MET 30 2.992 9.155 -4.761 225 HE3 MET 30 HE3 MET 30 1.424 9.858 -4.359 226 H GLN 31 H GLN 31 7.553 10.740 0.770 227 HA GLN 31 HA GLN 31 7.016 9.894 3.535 228 HB2 GLN 31 HB2 GLN 31 9.743 9.630 2.401 229 HB3 GLN 31 HB3 GLN 31 8.854 8.544 3.461 230 HG2 GLN 31 HG2 GLN 31 7.394 8.242 1.257 231 HG3 GLN 31 HG3 GLN 31 8.930 8.681 0.510 232 HE21 GLN 31 HE21 GLN 31 7.355 6.405 2.668 233 HE22 GLN 31 HE22 GLN 31 8.487 5.119 2.443 234 H ASN 32 H ASN 32 7.214 12.679 2.312 235 HA ASN 32 HA ASN 32 7.917 14.730 3.001 236 HB2 ASN 32 HB2 ASN 32 7.607 13.401 5.299 237 HB3 ASN 32 HB3 ASN 32 9.349 13.649 5.376 238 HD21 ASN 32 HD21 ASN 32 6.306 15.366 4.843 239 HD22 ASN 32 HD22 ASN 32 6.810 16.846 5.578 240 H CYS 33 H CYS 33 9.508 13.309 1.186 241 HA CYS 33 HA CYS 33 12.246 14.030 1.986 242 HB2 CYS 33 HB2 CYS 33 11.233 12.106 -0.112 243 HB3 CYS 33 HB3 CYS 33 12.925 12.566 0.048 244 H GLY 34 H GLY 34 13.520 14.343 -0.342 245 HA2 GLY 34 HA2 GLY 34 12.169 16.690 -1.508 246 HA3 GLY 34 HA3 GLY 34 13.910 16.466 -1.426 247 H THR 35 H THR 35 14.485 14.168 -2.513 248 HA THR 35 HA THR 35 12.987 13.829 -4.994 249 HB THR 35 HB THR 35 14.772 15.567 -5.401 250 HG1 THR 35 HG1 THR 35 13.976 14.359 -7.139 251 HG21 THR 35 HG21 THR 35 16.418 14.208 -3.896 252 HG22 THR 35 HG22 THR 35 17.030 15.062 -5.313 253 HG23 THR 35 HG23 THR 35 16.749 13.322 -5.384 254 H GLY 36 H GLY 36 14.338 12.086 -6.374 255 HA2 GLY 36 HA2 GLY 36 15.761 10.129 -4.862 256 HA3 GLY 36 HA3 GLY 36 14.084 9.657 -5.091 257 H SER 37 H SER 37 16.988 9.014 -6.224 258 HA SER 37 HA SER 37 16.079 8.759 -9.017 259 HB2 SER 37 HB2 SER 37 18.311 10.112 -8.139 260 HB3 SER 37 HB3 SER 37 18.970 8.536 -8.580 261 HG SER 37 HG SER 37 18.804 10.202 -10.292 262 H CYS 38 H CYS 38 16.420 6.817 -10.079 263 HA CYS 38 HA CYS 38 17.138 4.556 -8.332 264 HB2 CYS 38 HB2 CYS 38 15.641 3.176 -9.606 265 HB3 CYS 38 HB3 CYS 38 14.769 4.637 -9.151 266 H LYS 39 H LYS 39 18.606 3.060 -9.013 267 HA LYS 39 HA LYS 39 19.695 3.289 -11.720 268 HB2 LYS 39 HB2 LYS 39 21.459 3.214 -9.268 269 HB3 LYS 39 HB3 LYS 39 21.979 3.354 -10.943 270 HG2 LYS 39 HG2 LYS 39 20.230 5.420 -9.651 271 HG3 LYS 39 HG3 LYS 39 21.990 5.466 -9.525 272 HD2 LYS 39 HD2 LYS 39 21.984 5.291 -12.083 273 HD3 LYS 39 HD3 LYS 39 20.273 5.711 -11.978 274 HE2 LYS 39 HE2 LYS 39 20.841 7.854 -11.859 275 HE3 LYS 39 HE3 LYS 39 21.657 7.529 -10.330 276 HZ1 LYS 39 HZ1 LYS 39 23.055 6.946 -12.846 277 HZ2 LYS 39 HZ2 LYS 39 23.690 7.384 -11.341 278 HZ3 LYS 39 HZ3 LYS 39 22.955 8.551 -12.320 279 H LYS 40 H LYS 40 20.781 1.416 -12.464 280 HA LYS 40 HA LYS 40 19.723 -1.020 -11.406 281 HB2 LYS 40 HB2 LYS 40 21.229 -0.178 -13.782 282 HB3 LYS 40 HB3 LYS 40 21.633 -1.794 -13.218 283 HG2 LYS 40 HG2 LYS 40 18.828 -0.859 -13.776 284 HG3 LYS 40 HG3 LYS 40 19.840 -1.718 -14.939 285 HD2 LYS 40 HD2 LYS 40 20.081 -3.490 -13.076 286 HD3 LYS 40 HD3 LYS 40 18.673 -2.704 -12.358 287 HE2 LYS 40 HE2 LYS 40 18.001 -4.593 -13.739 288 HE3 LYS 40 HE3 LYS 40 17.414 -3.078 -14.422 289 HZ1 LYS 40 HZ1 LYS 40 19.984 -4.151 -15.349 290 HZ2 LYS 40 HZ2 LYS 40 18.854 -3.203 -16.177 291 HZ3 LYS 40 HZ3 LYS 40 18.555 -4.849 -15.926 292 H ARG 41 H ARG 41 20.513 -1.941 -9.633 293 HA ARG 41 HA ARG 41 23.373 -1.699 -9.041 294 HB2 ARG 41 HB2 ARG 41 21.056 -2.574 -7.309 295 HB3 ARG 41 HB3 ARG 41 22.732 -2.523 -6.781 296 HG2 ARG 41 HG2 ARG 41 21.153 -0.142 -7.731 297 HG3 ARG 41 HG3 ARG 41 21.426 -0.574 -6.042 298 HD2 ARG 41 HD2 ARG 41 23.571 0.065 -8.063 299 HD3 ARG 41 HD3 ARG 41 22.981 1.161 -6.814 300 HE ARG 41 HE ARG 41 23.830 -1.194 -5.576 301 HH11 ARG 41 HH11 ARG 41 25.163 1.485 -7.355 302 HH12 ARG 41 HH12 ARG 41 26.707 1.407 -6.571 303 HH21 ARG 41 HH21 ARG 41 25.858 -1.308 -4.537 304 HH22 ARG 41 HH22 ARG 41 27.101 -0.183 -4.969 305 H SER 42 H SER 42 24.572 -3.289 -9.850 306 HA SER 42 HA SER 42 25.293 -5.355 -10.479 307 HB2 SER 42 HB2 SER 42 24.513 -5.525 -7.838 308 HB3 SER 42 HB3 SER 42 23.656 -6.875 -8.582 309 HG SER 42 HG SER 42 26.065 -6.974 -7.806 310 H GLY 43 H GLY 43 22.865 -4.298 -11.720 311 HA2 GLY 43 HA2 GLY 43 21.623 -5.150 -13.507 312 HA3 GLY 43 HA3 GLY 43 21.984 -6.778 -12.952 313 H ARG 44 H ARG 44 20.853 -4.658 -10.531 314 HA ARG 44 HA ARG 44 18.154 -5.822 -10.753 315 HB2 ARG 44 HB2 ARG 44 19.760 -5.212 -8.265 316 HB3 ARG 44 HB3 ARG 44 18.066 -5.686 -8.260 317 HG2 ARG 44 HG2 ARG 44 20.173 -7.398 -9.531 318 HG3 ARG 44 HG3 ARG 44 19.810 -7.488 -7.806 319 HD2 ARG 44 HD2 ARG 44 17.430 -7.915 -8.397 320 HD3 ARG 44 HD3 ARG 44 17.908 -7.977 -10.093 321 HE ARG 44 HE ARG 44 19.445 -9.778 -8.525 322 HH11 ARG 44 HH11 ARG 44 16.316 -9.353 -9.989 323 HH12 ARG 44 HH12 ARG 44 16.014 -11.051 -10.147 324 HH21 ARG 44 HH21 ARG 44 19.060 -12.017 -8.727 325 HH22 ARG 44 HH22 ARG 44 17.575 -12.566 -9.427 326 HA PRO 45 HA PRO 45 16.762 -1.632 -10.974 327 HB2 PRO 45 HB2 PRO 45 14.124 -2.114 -10.554 328 HB3 PRO 45 HB3 PRO 45 14.933 -2.471 -12.084 329 HG2 PRO 45 HG2 PRO 45 14.247 -4.316 -9.829 330 HG3 PRO 45 HG3 PRO 45 14.082 -4.574 -11.575 331 HD2 PRO 45 HD2 PRO 45 16.138 -5.596 -10.139 332 HD3 PRO 45 HD3 PRO 45 16.311 -5.100 -11.835 333 H THR 46 H THR 46 17.837 -0.956 -9.021 334 HA THR 46 HA THR 46 16.226 -1.115 -6.573 335 HB THR 46 HB THR 46 19.098 -0.244 -6.950 336 HG1 THR 46 HG1 THR 46 18.876 -2.480 -7.141 337 HG21 THR 46 HG21 THR 46 17.298 -0.326 -4.554 338 HG22 THR 46 HG22 THR 46 18.405 0.945 -5.073 339 HG23 THR 46 HG23 THR 46 19.038 -0.546 -4.376 340 H CYS 47 H CYS 47 15.230 0.617 -5.737 341 HA CYS 47 HA CYS 47 15.525 3.168 -7.152 342 HB2 CYS 47 HB2 CYS 47 13.268 1.802 -6.513 343 HB3 CYS 47 HB3 CYS 47 13.396 2.875 -5.124 344 H VAL 48 H VAL 48 16.710 4.710 -6.260 345 HA VAL 48 HA VAL 48 17.127 4.665 -3.345 346 HB VAL 48 HB VAL 48 18.865 6.192 -5.258 347 HG11 VAL 48 HG11 VAL 48 18.940 5.373 -2.423 348 HG12 VAL 48 HG12 VAL 48 20.472 5.309 -3.296 349 HG13 VAL 48 HG13 VAL 48 19.570 6.823 -3.205 350 HG21 VAL 48 HG21 VAL 48 20.320 3.959 -4.798 351 HG22 VAL 48 HG22 VAL 48 18.699 3.274 -4.909 352 HG23 VAL 48 HG23 VAL 48 19.347 4.223 -6.246 353 H CYS 49 H CYS 49 16.986 6.578 -2.157 354 HA CYS 49 HA CYS 49 15.572 8.773 -3.524 355 HB2 CYS 49 HB2 CYS 49 14.944 7.283 -1.127 356 HB3 CYS 49 HB3 CYS 49 15.099 8.999 -0.767 357 H TYR 50 H TYR 50 15.838 10.921 -2.433 358 HA TYR 50 HA TYR 50 18.270 11.305 -0.915 359 HB2 TYR 50 HB2 TYR 50 17.985 12.435 -3.706 360 HB3 TYR 50 HB3 TYR 50 19.234 12.902 -2.557 361 HD1 TYR 50 HD1 TYR 50 18.084 10.319 -4.864 362 HD2 TYR 50 HD2 TYR 50 21.039 11.351 -1.981 363 HE1 TYR 50 HE1 TYR 50 19.502 8.476 -5.666 364 HE2 TYR 50 HE2 TYR 50 22.465 9.512 -2.776 365 HH TYR 50 HH TYR 50 21.845 7.135 -4.078 366 H ARG 51 H ARG 51 18.639 13.776 -0.632 367 HA ARG 51 HA ARG 51 17.846 15.659 0.378 368 HB2 ARG 51 HB2 ARG 51 15.775 15.450 -1.815 369 HB3 ARG 51 HB3 ARG 51 16.138 16.896 -0.881 370 HG2 ARG 51 HG2 ARG 51 18.595 16.241 -1.854 371 HG3 ARG 51 HG3 ARG 51 17.535 15.730 -3.169 372 HD2 ARG 51 HD2 ARG 51 16.971 17.842 -3.701 373 HD3 ARG 51 HD3 ARG 51 16.887 18.349 -2.014 374 HE ARG 51 HE ARG 51 19.038 19.106 -2.175 375 HH11 ARG 51 HH11 ARG 51 18.385 16.966 -4.843 376 HH12 ARG 51 HH12 ARG 51 19.881 17.304 -5.650 377 HH21 ARG 51 HH21 ARG 51 21.011 19.559 -3.228 378 HH22 ARG 51 HH22 ARG 51 21.374 18.778 -4.730 379 H CYS 52 H CYS 52 16.825 13.085 1.339 380 HA CYS 52 HA CYS 52 14.063 13.388 1.994 381 HB2 CYS 52 HB2 CYS 52 15.739 11.273 1.986 382 HB3 CYS 52 HB3 CYS 52 15.767 11.667 3.702 383 H ALA 53 H ALA 53 13.460 13.191 4.436 384 HA ALA 53 HA ALA 53 14.817 15.405 5.821 385 HB1 ALA 53 HB1 ALA 53 12.553 15.295 7.168 386 HB2 ALA 53 HB2 ALA 53 12.664 16.143 5.625 387 HB3 ALA 53 HB3 ALA 53 11.982 14.518 5.691 388 H ASN 54 H ASN 54 13.820 12.080 6.081 389 HA ASN 54 HA ASN 54 14.548 11.949 8.900 390 HB2 ASN 54 HB2 ASN 54 12.690 10.582 7.342 391 HB3 ASN 54 HB3 ASN 54 13.963 9.398 7.625 392 HD21 ASN 54 HD21 ASN 54 11.140 9.817 8.650 393 HD22 ASN 54 HD22 ASN 54 11.294 9.661 10.364 394 H GLY 55 H GLY 55 16.452 12.364 6.546 395 HA2 GLY 55 HA2 GLY 55 18.660 11.009 7.601 396 HA3 GLY 55 HA3 GLY 55 18.050 10.058 6.254 397 H GLY 56 H GLY 56 17.140 12.464 4.805 398 HA2 GLY 56 HA2 GLY 56 17.953 13.900 3.210 399 HA3 GLY 56 HA3 GLY 56 19.240 14.265 4.350 400 H GLY 57 H GLY 57 18.284 11.534 2.254 401 HA2 GLY 57 HA2 GLY 57 20.322 11.594 0.444 402 HA3 GLY 57 HA3 GLY 57 21.031 10.787 1.834 403 H ASP 58 H ASP 58 21.255 8.768 0.984 404 HA ASP 58 HA ASP 58 19.307 7.453 -0.580 405 HB2 ASP 58 HB2 ASP 58 20.633 5.376 0.038 406 HB3 ASP 58 HB3 ASP 58 21.542 6.668 -0.741 407 H ILE 59 H ILE 59 17.312 7.109 0.176 408 HA ILE 59 HA ILE 59 17.036 5.559 2.644 409 HB ILE 59 HB ILE 59 15.187 7.865 2.078 410 HG12 ILE 59 HG12 ILE 59 17.587 8.600 2.452 411 HG13 ILE 59 HG13 ILE 59 16.406 9.245 3.587 412 HG21 ILE 59 HG21 ILE 59 15.588 5.921 4.303 413 HG22 ILE 59 HG22 ILE 59 14.948 7.524 4.661 414 HG23 ILE 59 HG23 ILE 59 14.095 6.464 3.538 415 HD11 ILE 59 HD11 ILE 59 17.279 8.119 5.340 416 HD12 ILE 59 HD12 ILE 59 17.778 6.744 4.355 417 HD13 ILE 59 HD13 ILE 59 18.734 8.225 4.350 418 HA PRO 60 HA PRO 60 14.563 3.463 -0.508 419 HB2 PRO 60 HB2 PRO 60 14.484 1.099 0.825 420 HB3 PRO 60 HB3 PRO 60 15.867 1.605 -0.154 421 HG2 PRO 60 HG2 PRO 60 15.494 1.747 2.813 422 HG3 PRO 60 HG3 PRO 60 16.923 1.252 1.887 423 HD2 PRO 60 HD2 PRO 60 16.682 3.713 2.991 424 HD3 PRO 60 HD3 PRO 60 17.567 3.427 1.478 425 H LEU 61 H LEU 61 12.410 2.789 -0.582 426 HA LEU 61 HA LEU 61 10.587 4.011 1.083 427 HB2 LEU 61 HB2 LEU 61 10.507 1.946 -0.981 428 HB3 LEU 61 HB3 LEU 61 9.205 1.811 0.198 429 HG LEU 61 HG LEU 61 8.417 4.018 -0.335 430 HD11 LEU 61 HD11 LEU 61 10.530 5.134 -0.702 431 HD12 LEU 61 HD12 LEU 61 9.481 5.362 -2.101 432 HD13 LEU 61 HD13 LEU 61 10.802 4.196 -2.171 433 HD21 LEU 61 HD21 LEU 61 7.340 2.685 -1.816 434 HD22 LEU 61 HD22 LEU 61 8.834 2.033 -2.489 435 HD23 LEU 61 HD23 LEU 61 8.272 3.633 -2.976 436 H GLY 62 H GLY 62 12.335 1.077 1.587 437 HA2 GLY 62 HA2 GLY 62 10.566 -0.031 3.554 438 HA3 GLY 62 HA3 GLY 62 12.210 -0.552 3.219 439 H ALA 63 H ALA 63 13.401 2.048 3.638 440 HA ALA 63 HA ALA 63 13.652 1.916 6.503 441 HB1 ALA 63 HB1 ALA 63 15.638 2.262 5.186 442 HB2 ALA 63 HB2 ALA 63 14.955 3.724 4.473 443 HB3 ALA 63 HB3 ALA 63 15.355 3.684 6.190 444 H LEU 64 H LEU 64 11.921 3.845 4.218 445 HA LEU 64 HA LEU 64 11.393 5.955 6.157 446 HB2 LEU 64 HB2 LEU 64 11.081 5.607 3.251 447 HB3 LEU 64 HB3 LEU 64 9.820 6.554 4.038 448 HG LEU 64 HG LEU 64 12.661 7.260 4.582 449 HD11 LEU 64 HD11 LEU 64 13.098 8.211 2.573 450 HD12 LEU 64 HD12 LEU 64 11.398 8.511 2.216 451 HD13 LEU 64 HD13 LEU 64 12.069 6.894 2.011 452 HD21 LEU 64 HD21 LEU 64 10.952 9.449 4.000 453 HD22 LEU 64 HD22 LEU 64 11.658 8.985 5.548 454 HD23 LEU 64 HD23 LEU 64 10.085 8.346 5.069 455 H ILE 65 H ILE 65 10.295 2.977 5.888 456 HA ILE 65 HA ILE 65 7.514 3.126 5.655 457 HB ILE 65 HB ILE 65 9.229 1.217 7.240 458 HG12 ILE 65 HG12 ILE 65 7.815 0.952 4.578 459 HG13 ILE 65 HG13 ILE 65 9.548 1.165 4.804 460 HG21 ILE 65 HG21 ILE 65 7.223 -0.247 7.274 461 HG22 ILE 65 HG22 ILE 65 7.048 1.215 8.243 462 HG23 ILE 65 HG23 ILE 65 6.273 1.107 6.663 463 HD11 ILE 65 HD11 ILE 65 9.084 -1.137 4.342 464 HD12 ILE 65 HD12 ILE 65 9.601 -0.987 6.022 465 HD13 ILE 65 HD13 ILE 65 7.893 -1.202 5.640 466 H LYS 66 H LYS 66 6.237 4.428 6.792 467 HA LYS 66 HA LYS 66 6.895 5.147 9.526 468 HB2 LYS 66 HB2 LYS 66 4.521 5.979 7.850 469 HB3 LYS 66 HB3 LYS 66 5.040 6.710 9.363 470 HG2 LYS 66 HG2 LYS 66 6.801 7.804 8.393 471 HG3 LYS 66 HG3 LYS 66 6.956 6.625 7.088 472 HD2 LYS 66 HD2 LYS 66 4.645 8.543 7.362 473 HD3 LYS 66 HD3 LYS 66 6.076 8.857 6.377 474 HE2 LYS 66 HE2 LYS 66 5.342 6.369 5.530 475 HE3 LYS 66 HE3 LYS 66 3.778 7.108 5.871 476 HZ1 LYS 66 HZ1 LYS 66 5.813 8.519 4.262 477 HZ2 LYS 66 HZ2 LYS 66 4.142 8.775 4.315 478 HZ3 LYS 66 HZ3 LYS 66 4.762 7.399 3.551 479 H ARG 67 H ARG 67 5.586 2.501 8.279 480 HA ARG 67 HA ARG 67 4.287 0.821 9.094 481 HB2 ARG 67 HB2 ARG 67 5.044 2.372 11.453 482 HB3 ARG 67 HB3 ARG 67 3.523 1.514 11.656 483 HG2 ARG 67 HG2 ARG 67 5.494 0.240 12.429 484 HG3 ARG 67 HG3 ARG 67 4.572 -0.585 11.171 485 HD2 ARG 67 HD2 ARG 67 6.255 -0.460 9.674 486 HD3 ARG 67 HD3 ARG 67 6.746 1.147 10.209 487 HE ARG 67 HE ARG 67 7.831 -1.355 11.062 488 HH11 ARG 67 HH11 ARG 67 7.203 1.926 12.042 489 HH12 ARG 67 HH12 ARG 67 8.477 1.957 13.216 490 HH21 ARG 67 HH21 ARG 67 9.511 -1.327 12.605 491 HH22 ARG 67 HH22 ARG 67 9.789 0.106 13.535 492 H GLY 68 H GLY 68 3.190 3.534 8.081 493 HA2 GLY 68 HA2 GLY 68 0.391 2.904 8.745 494 HA3 GLY 68 HA3 GLY 68 0.961 4.562 8.854 Start of MODEL 4 1 H MET 1 H MET 1 -1.136 -0.002 -9.554 2 HA MET 1 HA MET 1 -0.128 -0.947 -6.965 3 HB2 MET 1 HB2 MET 1 -2.046 -2.350 -8.799 4 HB3 MET 1 HB3 MET 1 -0.977 -3.271 -7.751 5 HG2 MET 1 HG2 MET 1 -2.643 -3.120 -6.277 6 HG3 MET 1 HG3 MET 1 -2.025 -1.494 -5.995 7 HE1 MET 1 HE1 MET 1 -6.044 -2.742 -7.429 8 HE2 MET 1 HE2 MET 1 -4.795 -3.333 -8.525 9 HE3 MET 1 HE3 MET 1 -4.706 -3.705 -6.803 10 H ASP 2 H ASP 2 1.736 -2.129 -7.049 11 HA ASP 2 HA ASP 2 2.738 -3.261 -9.481 12 HB2 ASP 2 HB2 ASP 2 3.350 -0.531 -8.954 13 HB3 ASP 2 HB3 ASP 2 4.822 -1.468 -8.717 14 H ILE 3 H ILE 3 5.342 -3.585 -8.992 15 HA ILE 3 HA ILE 3 5.343 -5.060 -6.456 16 HB ILE 3 HB ILE 3 7.475 -5.357 -8.537 17 HG12 ILE 3 HG12 ILE 3 4.771 -6.715 -8.587 18 HG13 ILE 3 HG13 ILE 3 5.339 -5.520 -9.747 19 HG21 ILE 3 HG21 ILE 3 7.349 -7.731 -7.669 20 HG22 ILE 3 HG22 ILE 3 7.922 -6.514 -6.530 21 HG23 ILE 3 HG23 ILE 3 6.269 -7.116 -6.419 22 HD11 ILE 3 HD11 ILE 3 5.991 -8.381 -9.495 23 HD12 ILE 3 HD12 ILE 3 5.841 -7.366 -10.930 24 HD13 ILE 3 HD13 ILE 3 7.313 -7.310 -9.961 25 H ASP 4 H ASP 4 7.413 -5.157 -5.260 26 HA ASP 4 HA ASP 4 8.460 -2.481 -4.910 27 HB2 ASP 4 HB2 ASP 4 8.935 -5.061 -3.407 28 HB3 ASP 4 HB3 ASP 4 9.682 -3.524 -2.978 29 H PHE 5 H PHE 5 9.244 -5.067 -6.831 30 HA PHE 5 HA PHE 5 12.126 -4.752 -6.676 31 HB2 PHE 5 HB2 PHE 5 11.027 -6.981 -7.056 32 HB3 PHE 5 HB3 PHE 5 10.526 -6.400 -8.641 33 HD1 PHE 5 HD1 PHE 5 12.076 -6.236 -10.449 34 HD2 PHE 5 HD2 PHE 5 13.393 -7.373 -6.564 35 HE1 PHE 5 HE1 PHE 5 14.229 -6.960 -11.394 36 HE2 PHE 5 HE2 PHE 5 15.549 -8.098 -7.503 37 HZ PHE 5 HZ PHE 5 15.969 -7.892 -9.921 38 H SER 6 H SER 6 9.561 -4.250 -9.088 39 HA SER 6 HA SER 6 11.405 -2.814 -10.817 40 HB2 SER 6 HB2 SER 6 9.651 -2.830 -12.450 41 HB3 SER 6 HB3 SER 6 9.665 -4.425 -11.698 42 HG SER 6 HG SER 6 7.551 -3.674 -11.810 43 H THR 7 H THR 7 11.836 -0.773 -10.311 44 HA THR 7 HA THR 7 9.642 1.098 -9.969 45 HB THR 7 HB THR 7 11.226 2.057 -7.987 46 HG1 THR 7 HG1 THR 7 11.193 -0.766 -7.608 47 HG21 THR 7 HG21 THR 7 9.466 0.357 -6.647 48 HG22 THR 7 HG22 THR 7 8.688 0.687 -8.195 49 HG23 THR 7 HG23 THR 7 9.160 2.021 -7.143 50 H CYS 8 H CYS 8 12.050 0.413 -11.748 51 HA CYS 8 HA CYS 8 12.979 3.184 -12.002 52 HB2 CYS 8 HB2 CYS 8 14.657 1.572 -10.842 53 HB3 CYS 8 HB3 CYS 8 14.884 0.905 -12.456 54 H ALA 9 H ALA 9 13.800 3.709 -14.138 55 HA ALA 9 HA ALA 9 12.171 2.613 -16.198 56 HB1 ALA 9 HB1 ALA 9 13.869 4.095 -17.606 57 HB2 ALA 9 HB2 ALA 9 12.570 4.805 -16.646 58 HB3 ALA 9 HB3 ALA 9 14.212 4.754 -16.006 59 H ARG 10 H ARG 10 15.060 1.580 -14.849 60 HA ARG 10 HA ARG 10 16.110 0.403 -17.296 61 HB2 ARG 10 HB2 ARG 10 17.150 0.087 -14.478 62 HB3 ARG 10 HB3 ARG 10 18.004 -0.269 -15.974 63 HG2 ARG 10 HG2 ARG 10 17.124 2.470 -15.084 64 HG3 ARG 10 HG3 ARG 10 18.758 1.818 -14.937 65 HD2 ARG 10 HD2 ARG 10 18.142 1.404 -17.591 66 HD3 ARG 10 HD3 ARG 10 17.400 2.965 -17.243 67 HE ARG 10 HE ARG 10 20.206 2.378 -17.397 68 HH11 ARG 10 HH11 ARG 10 17.803 4.503 -16.043 69 HH12 ARG 10 HH12 ARG 10 18.902 5.827 -15.838 70 HH21 ARG 10 HH21 ARG 10 21.661 4.114 -17.133 71 HH22 ARG 10 HH22 ARG 10 21.096 5.605 -16.459 72 H MET 11 H MET 11 13.511 -0.414 -16.053 73 HA MET 11 HA MET 11 14.078 -3.180 -15.292 74 HB2 MET 11 HB2 MET 11 11.963 -1.274 -14.724 75 HB3 MET 11 HB3 MET 11 11.315 -2.815 -15.270 76 HG2 MET 11 HG2 MET 11 13.352 -2.599 -13.076 77 HG3 MET 11 HG3 MET 11 11.616 -2.527 -12.782 78 HE1 MET 11 HE1 MET 11 10.694 -5.520 -14.968 79 HE2 MET 11 HE2 MET 11 10.100 -5.580 -13.309 80 HE3 MET 11 HE3 MET 11 10.155 -4.042 -14.170 81 H ASP 12 H ASP 12 12.020 -4.611 -16.137 82 HA ASP 12 HA ASP 12 12.557 -5.014 -18.891 83 HB2 ASP 12 HB2 ASP 12 11.463 -6.527 -16.856 84 HB3 ASP 12 HB3 ASP 12 10.086 -6.238 -17.916 85 H VAL 13 H VAL 13 10.378 -2.982 -17.238 86 HA VAL 13 HA VAL 13 8.782 -2.600 -19.685 87 HB VAL 13 HB VAL 13 7.177 -1.398 -18.086 88 HG11 VAL 13 HG11 VAL 13 6.079 -3.484 -17.471 89 HG12 VAL 13 HG12 VAL 13 6.720 -3.576 -19.113 90 HG13 VAL 13 HG13 VAL 13 7.568 -4.375 -17.788 91 HG21 VAL 13 HG21 VAL 13 7.274 -2.155 -15.748 92 HG22 VAL 13 HG22 VAL 13 8.817 -2.942 -16.077 93 HG23 VAL 13 HG23 VAL 13 8.680 -1.188 -16.190 94 HA PRO 14 HA PRO 14 11.424 1.178 -19.293 95 HB2 PRO 14 HB2 PRO 14 11.892 1.396 -21.958 96 HB3 PRO 14 HB3 PRO 14 12.872 0.384 -20.890 97 HG2 PRO 14 HG2 PRO 14 10.634 -0.402 -22.716 98 HG3 PRO 14 HG3 PRO 14 12.189 -1.207 -22.443 99 HD2 PRO 14 HD2 PRO 14 9.889 -2.053 -21.293 100 HD3 PRO 14 HD3 PRO 14 11.469 -2.215 -20.500 101 H ILE 15 H ILE 15 8.465 0.337 -20.702 102 HA ILE 15 HA ILE 15 7.720 2.510 -22.224 103 HB ILE 15 HB ILE 15 5.926 1.092 -20.252 104 HG12 ILE 15 HG12 ILE 15 5.488 0.022 -22.775 105 HG13 ILE 15 HG13 ILE 15 7.239 0.175 -22.690 106 HG21 ILE 15 HG21 ILE 15 5.482 2.979 -22.487 107 HG22 ILE 15 HG22 ILE 15 4.350 1.637 -22.334 108 HG23 ILE 15 HG23 ILE 15 4.575 2.757 -20.991 109 HD11 ILE 15 HD11 ILE 15 6.171 -0.941 -20.257 110 HD12 ILE 15 HD12 ILE 15 5.688 -1.880 -21.670 111 HD13 ILE 15 HD13 ILE 15 7.397 -1.580 -21.351 112 H LEU 16 H LEU 16 7.925 4.593 -21.750 113 HA LEU 16 HA LEU 16 7.758 6.592 -20.680 114 HB2 LEU 16 HB2 LEU 16 5.980 5.213 -18.686 115 HB3 LEU 16 HB3 LEU 16 6.017 6.925 -19.100 116 HG LEU 16 HG LEU 16 5.136 4.757 -21.000 117 HD11 LEU 16 HD11 LEU 16 3.766 5.908 -18.749 118 HD12 LEU 16 HD12 LEU 16 3.242 4.637 -19.852 119 HD13 LEU 16 HD13 LEU 16 2.951 6.329 -20.256 120 HD21 LEU 16 HD21 LEU 16 4.075 6.742 -22.131 121 HD22 LEU 16 HD22 LEU 16 5.836 6.681 -22.196 122 HD23 LEU 16 HD23 LEU 16 5.032 7.765 -21.059 123 H LYS 17 H LYS 17 9.997 6.338 -20.102 124 HA LYS 17 HA LYS 17 10.949 5.142 -17.775 125 HB2 LYS 17 HB2 LYS 17 11.946 7.413 -19.468 126 HB3 LYS 17 HB3 LYS 17 12.797 6.954 -17.999 127 HG2 LYS 17 HG2 LYS 17 13.936 5.676 -19.480 128 HG3 LYS 17 HG3 LYS 17 12.629 4.549 -19.106 129 HD2 LYS 17 HD2 LYS 17 11.399 5.368 -21.084 130 HD3 LYS 17 HD3 LYS 17 12.762 6.422 -21.470 131 HE2 LYS 17 HE2 LYS 17 13.920 3.931 -21.138 132 HE3 LYS 17 HE3 LYS 17 12.401 3.580 -21.962 133 HZ1 LYS 17 HZ1 LYS 17 13.137 5.527 -23.481 134 HZ2 LYS 17 HZ2 LYS 17 13.811 3.993 -23.708 135 HZ3 LYS 17 HZ3 LYS 17 14.684 5.186 -22.887 136 H LYS 18 H LYS 18 9.629 8.369 -18.304 137 HA LYS 18 HA LYS 18 10.273 9.548 -15.871 138 HB2 LYS 18 HB2 LYS 18 8.337 10.015 -18.013 139 HB3 LYS 18 HB3 LYS 18 7.768 10.558 -16.440 140 HG2 LYS 18 HG2 LYS 18 10.501 11.310 -17.381 141 HG3 LYS 18 HG3 LYS 18 9.084 12.185 -17.966 142 HD2 LYS 18 HD2 LYS 18 9.618 13.445 -16.125 143 HD3 LYS 18 HD3 LYS 18 8.499 12.287 -15.401 144 HE2 LYS 18 HE2 LYS 18 10.170 11.146 -14.315 145 HE3 LYS 18 HE3 LYS 18 11.401 11.618 -15.487 146 HZ1 LYS 18 HZ1 LYS 18 10.306 13.854 -14.071 147 HZ2 LYS 18 HZ2 LYS 18 11.922 13.409 -14.299 148 HZ3 LYS 18 HZ3 LYS 18 11.028 12.729 -13.033 149 H ALA 19 H ALA 19 7.653 7.352 -16.701 150 HA ALA 19 HA ALA 19 6.158 7.612 -14.330 151 HB1 ALA 19 HB1 ALA 19 6.026 4.941 -15.396 152 HB2 ALA 19 HB2 ALA 19 4.795 6.204 -15.375 153 HB3 ALA 19 HB3 ALA 19 5.967 6.136 -16.691 154 H ALA 20 H ALA 20 8.819 5.453 -15.218 155 HA ALA 20 HA ALA 20 8.770 3.872 -12.883 156 HB1 ALA 20 HB1 ALA 20 10.083 3.681 -15.207 157 HB2 ALA 20 HB2 ALA 20 11.377 4.330 -14.198 158 HB3 ALA 20 HB3 ALA 20 10.579 2.823 -13.748 159 H GLN 21 H GLN 21 10.655 6.760 -13.737 160 HA GLN 21 HA GLN 21 12.142 6.884 -11.348 161 HB2 GLN 21 HB2 GLN 21 11.664 8.601 -13.666 162 HB3 GLN 21 HB3 GLN 21 11.928 9.505 -12.180 163 HG2 GLN 21 HG2 GLN 21 14.068 8.598 -11.878 164 HG3 GLN 21 HG3 GLN 21 13.781 7.318 -13.056 165 HE21 GLN 21 HE21 GLN 21 14.509 7.618 -15.041 166 HE22 GLN 21 HE22 GLN 21 15.015 9.127 -15.715 167 H GLY 22 H GLY 22 8.937 7.987 -12.196 168 HA2 GLY 22 HA2 GLY 22 8.460 9.851 -10.190 169 HA3 GLY 22 HA3 GLY 22 7.230 8.820 -10.906 170 H LEU 23 H LEU 23 8.621 6.371 -9.984 171 HA LEU 23 HA LEU 23 7.328 6.165 -7.445 172 HB2 LEU 23 HB2 LEU 23 9.251 4.210 -8.687 173 HB3 LEU 23 HB3 LEU 23 8.038 3.880 -7.451 174 HG LEU 23 HG LEU 23 7.599 4.444 -10.375 175 HD11 LEU 23 HD11 LEU 23 6.242 2.250 -9.958 176 HD12 LEU 23 HD12 LEU 23 7.314 2.091 -8.567 177 HD13 LEU 23 HD13 LEU 23 7.989 2.189 -10.194 178 HD21 LEU 23 HD21 LEU 23 5.825 5.627 -9.534 179 HD22 LEU 23 HD22 LEU 23 5.732 4.657 -8.063 180 HD23 LEU 23 HD23 LEU 23 5.134 4.005 -9.590 181 H CYS 24 H CYS 24 10.072 7.687 -8.184 182 HA CYS 24 HA CYS 24 11.362 6.966 -5.633 183 HB2 CYS 24 HB2 CYS 24 12.454 6.931 -8.255 184 HB3 CYS 24 HB3 CYS 24 13.213 8.262 -7.388 185 H ILE 25 H ILE 25 11.056 9.600 -8.014 186 HA ILE 25 HA ILE 25 11.884 11.647 -6.252 187 HB ILE 25 HB ILE 25 10.159 11.853 -8.724 188 HG12 ILE 25 HG12 ILE 25 12.602 12.817 -9.415 189 HG13 ILE 25 HG13 ILE 25 13.065 11.573 -8.259 190 HG21 ILE 25 HG21 ILE 25 9.909 13.826 -7.361 191 HG22 ILE 25 HG22 ILE 25 11.657 13.965 -7.181 192 HG23 ILE 25 HG23 ILE 25 10.911 14.209 -8.760 193 HD11 ILE 25 HD11 ILE 25 12.524 11.220 -10.941 194 HD12 ILE 25 HD12 ILE 25 12.663 9.956 -9.719 195 HD13 ILE 25 HD13 ILE 25 11.080 10.616 -10.129 196 H THR 26 H THR 26 8.657 10.552 -7.260 197 HA THR 26 HA THR 26 7.297 12.410 -5.553 198 HB THR 26 HB THR 26 6.550 10.525 -7.598 199 HG1 THR 26 HG1 THR 26 6.076 12.929 -7.117 200 HG21 THR 26 HG21 THR 26 4.367 9.853 -6.638 201 HG22 THR 26 HG22 THR 26 4.893 10.475 -5.073 202 HG23 THR 26 HG23 THR 26 5.734 9.111 -5.809 203 H SER 27 H SER 27 8.208 9.012 -5.370 204 HA SER 27 HA SER 27 6.726 8.305 -3.100 205 HB2 SER 27 HB2 SER 27 8.212 6.878 -4.765 206 HB3 SER 27 HB3 SER 27 9.441 7.126 -3.524 207 HG SER 27 HG SER 27 7.289 5.479 -3.512 208 H CYS 28 H CYS 28 9.735 10.032 -3.457 209 HA CYS 28 HA CYS 28 10.554 9.813 -0.732 210 HB2 CYS 28 HB2 CYS 28 11.667 10.793 -3.119 211 HB3 CYS 28 HB3 CYS 28 11.577 12.178 -2.036 212 H SER 29 H SER 29 8.828 12.265 -2.613 213 HA SER 29 HA SER 29 8.683 14.273 -0.697 214 HB2 SER 29 HB2 SER 29 7.845 14.134 -3.212 215 HB3 SER 29 HB3 SER 29 6.304 13.773 -2.434 216 HG SER 29 HG SER 29 6.332 15.942 -2.556 217 H MET 30 H MET 30 6.846 11.316 -1.015 218 HA MET 30 HA MET 30 4.808 12.013 0.854 219 HB2 MET 30 HB2 MET 30 5.635 9.195 0.212 220 HB3 MET 30 HB3 MET 30 4.037 9.801 0.625 221 HG2 MET 30 HG2 MET 30 4.649 11.188 -1.665 222 HG3 MET 30 HG3 MET 30 5.352 9.599 -1.957 223 HE1 MET 30 HE1 MET 30 2.641 11.595 -2.858 224 HE2 MET 30 HE2 MET 30 1.115 10.774 -2.532 225 HE3 MET 30 HE3 MET 30 1.979 11.581 -1.223 226 H GLN 31 H GLN 31 8.059 11.067 1.168 227 HA GLN 31 HA GLN 31 7.645 10.229 3.956 228 HB2 GLN 31 HB2 GLN 31 10.321 9.967 2.709 229 HB3 GLN 31 HB3 GLN 31 9.476 8.879 3.803 230 HG2 GLN 31 HG2 GLN 31 7.928 8.575 1.661 231 HG3 GLN 31 HG3 GLN 31 9.429 9.021 0.851 232 HE21 GLN 31 HE21 GLN 31 7.948 6.731 3.057 233 HE22 GLN 31 HE22 GLN 31 9.077 5.452 2.786 234 H ASN 32 H ASN 32 7.786 13.013 2.719 235 HA ASN 32 HA ASN 32 8.518 15.066 3.372 236 HB2 ASN 32 HB2 ASN 32 9.935 13.784 5.698 237 HB3 ASN 32 HB3 ASN 32 9.215 15.388 5.599 238 HD21 ASN 32 HD21 ASN 32 6.746 14.906 4.634 239 HD22 ASN 32 HD22 ASN 32 5.846 13.927 5.738 240 H CYS 33 H CYS 33 10.031 13.640 1.495 241 HA CYS 33 HA CYS 33 12.800 14.370 2.176 242 HB2 CYS 33 HB2 CYS 33 11.704 12.429 0.136 243 HB3 CYS 33 HB3 CYS 33 13.399 12.895 0.220 244 H GLY 34 H GLY 34 13.980 14.680 -0.195 245 HA2 GLY 34 HA2 GLY 34 12.572 17.011 -1.323 246 HA3 GLY 34 HA3 GLY 34 14.316 16.795 -1.309 247 H THR 35 H THR 35 14.859 14.496 -2.405 248 HA THR 35 HA THR 35 13.267 14.138 -4.825 249 HB THR 35 HB THR 35 15.035 15.873 -5.309 250 HG1 THR 35 HG1 THR 35 14.243 14.760 -7.055 251 HG21 THR 35 HG21 THR 35 16.734 14.519 -3.856 252 HG22 THR 35 HG22 THR 35 17.294 15.374 -5.294 253 HG23 THR 35 HG23 THR 35 17.016 13.634 -5.354 254 H GLY 36 H GLY 36 14.567 12.387 -6.244 255 HA2 GLY 36 HA2 GLY 36 16.047 10.439 -4.777 256 HA3 GLY 36 HA3 GLY 36 14.362 9.967 -4.936 257 H SER 37 H SER 37 17.215 9.309 -6.179 258 HA SER 37 HA SER 37 16.198 9.045 -8.933 259 HB2 SER 37 HB2 SER 37 18.607 10.227 -8.004 260 HB3 SER 37 HB3 SER 37 19.044 8.739 -8.841 261 HG SER 37 HG SER 37 17.165 10.419 -10.043 262 H CYS 38 H CYS 38 16.479 7.094 -9.996 263 HA CYS 38 HA CYS 38 17.256 4.837 -8.269 264 HB2 CYS 38 HB2 CYS 38 15.696 3.461 -9.477 265 HB3 CYS 38 HB3 CYS 38 14.855 4.923 -8.971 266 H LYS 39 H LYS 39 18.687 3.335 -9.003 267 HA LYS 39 HA LYS 39 19.646 3.529 -11.761 268 HB2 LYS 39 HB2 LYS 39 21.588 3.395 -9.462 269 HB3 LYS 39 HB3 LYS 39 21.933 3.709 -11.158 270 HG2 LYS 39 HG2 LYS 39 22.028 5.845 -10.500 271 HG3 LYS 39 HG3 LYS 39 20.267 5.766 -10.591 272 HD2 LYS 39 HD2 LYS 39 20.056 5.455 -8.268 273 HD3 LYS 39 HD3 LYS 39 21.765 5.054 -8.084 274 HE2 LYS 39 HE2 LYS 39 20.989 7.738 -9.136 275 HE3 LYS 39 HE3 LYS 39 20.870 7.419 -7.406 276 HZ1 LYS 39 HZ1 LYS 39 23.309 6.492 -7.910 277 HZ2 LYS 39 HZ2 LYS 39 23.002 8.088 -7.442 278 HZ3 LYS 39 HZ3 LYS 39 23.225 7.715 -9.077 279 H LYS 40 H LYS 40 20.910 1.663 -12.435 280 HA LYS 40 HA LYS 40 19.823 -0.771 -11.354 281 HB2 LYS 40 HB2 LYS 40 21.324 0.036 -13.757 282 HB3 LYS 40 HB3 LYS 40 21.679 -1.587 -13.179 283 HG2 LYS 40 HG2 LYS 40 18.894 -0.581 -13.711 284 HG3 LYS 40 HG3 LYS 40 19.875 -1.441 -14.901 285 HD2 LYS 40 HD2 LYS 40 20.109 -3.233 -13.040 286 HD3 LYS 40 HD3 LYS 40 18.697 -2.442 -12.335 287 HE2 LYS 40 HE2 LYS 40 17.400 -3.605 -13.711 288 HE3 LYS 40 HE3 LYS 40 18.151 -2.781 -15.077 289 HZ1 LYS 40 HZ1 LYS 40 19.952 -4.708 -14.367 290 HZ2 LYS 40 HZ2 LYS 40 18.886 -4.774 -15.679 291 HZ3 LYS 40 HZ3 LYS 40 18.456 -5.482 -14.204 292 H ARG 41 H ARG 41 20.648 -1.655 -9.579 293 HA ARG 41 HA ARG 41 23.510 -1.369 -9.025 294 HB2 ARG 41 HB2 ARG 41 21.222 -2.277 -7.270 295 HB3 ARG 41 HB3 ARG 41 22.902 -2.209 -6.756 296 HG2 ARG 41 HG2 ARG 41 21.290 0.156 -7.690 297 HG3 ARG 41 HG3 ARG 41 21.585 -0.274 -6.004 298 HD2 ARG 41 HD2 ARG 41 23.695 0.401 -8.052 299 HD3 ARG 41 HD3 ARG 41 23.116 1.474 -6.777 300 HE ARG 41 HE ARG 41 25.006 -0.660 -6.510 301 HH11 ARG 41 HH11 ARG 41 22.583 1.203 -4.844 302 HH12 ARG 41 HH12 ARG 41 23.263 0.927 -3.275 303 HH21 ARG 41 HH21 ARG 41 25.910 -1.031 -4.449 304 HH22 ARG 41 HH22 ARG 41 25.156 -0.343 -3.051 305 H SER 42 H SER 42 24.696 -2.931 -9.921 306 HA SER 42 HA SER 42 25.458 -4.985 -10.537 307 HB2 SER 42 HB2 SER 42 24.795 -5.160 -7.885 308 HB3 SER 42 HB3 SER 42 23.872 -6.496 -8.573 309 HG SER 42 HG SER 42 26.375 -6.548 -7.954 310 H GLY 43 H GLY 43 22.995 -3.985 -11.740 311 HA2 GLY 43 HA2 GLY 43 21.731 -4.871 -13.494 312 HA3 GLY 43 HA3 GLY 43 22.130 -6.488 -12.934 313 H ARG 44 H ARG 44 21.012 -4.372 -10.505 314 HA ARG 44 HA ARG 44 18.328 -5.579 -10.668 315 HB2 ARG 44 HB2 ARG 44 19.946 -4.915 -8.202 316 HB3 ARG 44 HB3 ARG 44 18.277 -5.471 -8.187 317 HG2 ARG 44 HG2 ARG 44 20.554 -7.044 -9.367 318 HG3 ARG 44 HG3 ARG 44 19.974 -7.232 -7.711 319 HD2 ARG 44 HD2 ARG 44 17.681 -7.649 -8.726 320 HD3 ARG 44 HD3 ARG 44 18.509 -7.794 -10.275 321 HE ARG 44 HE ARG 44 19.592 -9.475 -8.205 322 HH11 ARG 44 HH11 ARG 44 17.214 -9.196 -10.732 323 HH12 ARG 44 HH12 ARG 44 17.053 -10.908 -10.949 324 HH21 ARG 44 HH21 ARG 44 19.390 -11.730 -8.481 325 HH22 ARG 44 HH22 ARG 44 18.291 -12.348 -9.667 326 HA PRO 45 HA PRO 45 16.869 -1.411 -10.873 327 HB2 PRO 45 HB2 PRO 45 14.247 -1.929 -10.396 328 HB3 PRO 45 HB3 PRO 45 15.030 -2.280 -11.942 329 HG2 PRO 45 HG2 PRO 45 14.418 -4.127 -9.667 330 HG3 PRO 45 HG3 PRO 45 14.221 -4.394 -11.409 331 HD2 PRO 45 HD2 PRO 45 16.320 -5.380 -10.013 332 HD3 PRO 45 HD3 PRO 45 16.451 -4.888 -11.714 333 H THR 46 H THR 46 17.943 -0.658 -8.968 334 HA THR 46 HA THR 46 16.392 -0.847 -6.480 335 HB THR 46 HB THR 46 19.246 0.055 -6.911 336 HG1 THR 46 HG1 THR 46 18.416 -2.212 -5.441 337 HG21 THR 46 HG21 THR 46 17.467 0.020 -4.510 338 HG22 THR 46 HG22 THR 46 18.639 1.234 -5.021 339 HG23 THR 46 HG23 THR 46 19.192 -0.285 -4.315 340 H CYS 47 H CYS 47 15.546 0.922 -5.497 341 HA CYS 47 HA CYS 47 15.710 3.449 -6.989 342 HB2 CYS 47 HB2 CYS 47 13.497 2.070 -6.207 343 HB3 CYS 47 HB3 CYS 47 13.686 3.186 -4.859 344 H VAL 48 H VAL 48 16.928 5.005 -6.170 345 HA VAL 48 HA VAL 48 17.487 4.991 -3.278 346 HB VAL 48 HB VAL 48 19.126 6.503 -5.288 347 HG11 VAL 48 HG11 VAL 48 20.828 5.644 -3.396 348 HG12 VAL 48 HG12 VAL 48 19.927 7.156 -3.276 349 HG13 VAL 48 HG13 VAL 48 19.341 5.711 -2.452 350 HG21 VAL 48 HG21 VAL 48 20.612 4.286 -4.884 351 HG22 VAL 48 HG22 VAL 48 18.993 3.587 -4.894 352 HG23 VAL 48 HG23 VAL 48 19.558 4.523 -6.278 353 H CYS 49 H CYS 49 17.389 6.911 -2.103 354 HA CYS 49 HA CYS 49 15.910 9.092 -3.424 355 HB2 CYS 49 HB2 CYS 49 15.398 7.622 -0.983 356 HB3 CYS 49 HB3 CYS 49 15.547 9.346 -0.658 357 H TYR 50 H TYR 50 16.213 11.248 -2.354 358 HA TYR 50 HA TYR 50 18.709 11.648 -0.947 359 HB2 TYR 50 HB2 TYR 50 18.298 12.758 -3.731 360 HB3 TYR 50 HB3 TYR 50 19.592 13.242 -2.640 361 HD1 TYR 50 HD1 TYR 50 21.428 11.704 -2.127 362 HD2 TYR 50 HD2 TYR 50 18.365 10.639 -4.881 363 HE1 TYR 50 HE1 TYR 50 22.831 9.866 -2.967 364 HE2 TYR 50 HE2 TYR 50 19.758 8.798 -5.728 365 HH TYR 50 HH TYR 50 22.960 8.553 -5.264 366 H ARG 51 H ARG 51 19.081 14.120 -0.690 367 HA ARG 51 HA ARG 51 18.326 16.005 0.347 368 HB2 ARG 51 HB2 ARG 51 16.170 15.784 -1.763 369 HB3 ARG 51 HB3 ARG 51 16.565 17.233 -0.848 370 HG2 ARG 51 HG2 ARG 51 18.984 16.585 -1.913 371 HG3 ARG 51 HG3 ARG 51 17.876 16.065 -3.184 372 HD2 ARG 51 HD2 ARG 51 17.288 18.172 -3.704 373 HD3 ARG 51 HD3 ARG 51 17.258 18.683 -2.017 374 HE ARG 51 HE ARG 51 19.923 18.303 -2.784 375 HH11 ARG 51 HH11 ARG 51 17.243 20.424 -3.444 376 HH12 ARG 51 HH12 ARG 51 18.245 21.783 -3.832 377 HH21 ARG 51 HH21 ARG 51 21.254 20.085 -3.292 378 HH22 ARG 51 HH22 ARG 51 20.527 21.589 -3.746 379 H CYS 52 H CYS 52 17.350 13.433 1.358 380 HA CYS 52 HA CYS 52 14.615 13.733 2.120 381 HB2 CYS 52 HB2 CYS 52 16.294 11.622 2.054 382 HB3 CYS 52 HB3 CYS 52 16.389 12.023 3.766 383 H ALA 53 H ALA 53 14.111 13.544 4.586 384 HA ALA 53 HA ALA 53 15.519 15.765 5.908 385 HB1 ALA 53 HB1 ALA 53 13.310 15.665 7.342 386 HB2 ALA 53 HB2 ALA 53 13.358 16.500 5.789 387 HB3 ALA 53 HB3 ALA 53 12.681 14.875 5.896 388 H ASN 54 H ASN 54 14.541 12.440 6.215 389 HA ASN 54 HA ASN 54 15.371 12.319 9.006 390 HB2 ASN 54 HB2 ASN 54 13.324 11.105 8.048 391 HB3 ASN 54 HB3 ASN 54 14.474 9.990 7.316 392 HD21 ASN 54 HD21 ASN 54 13.332 8.415 8.638 393 HD22 ASN 54 HD22 ASN 54 13.816 8.196 10.282 394 H GLY 55 H GLY 55 17.189 12.736 6.587 395 HA2 GLY 55 HA2 GLY 55 19.440 11.399 7.562 396 HA3 GLY 55 HA3 GLY 55 18.784 10.431 6.251 397 H GLY 56 H GLY 56 17.804 12.825 4.819 398 HA2 GLY 56 HA2 GLY 56 18.546 14.248 3.178 399 HA3 GLY 56 HA3 GLY 56 19.878 14.626 4.261 400 H GLY 57 H GLY 57 18.841 11.878 2.226 401 HA2 GLY 57 HA2 GLY 57 20.810 11.930 0.337 402 HA3 GLY 57 HA3 GLY 57 21.567 11.124 1.703 403 H ASP 58 H ASP 58 21.753 9.102 0.854 404 HA ASP 58 HA ASP 58 19.740 7.789 -0.632 405 HB2 ASP 58 HB2 ASP 58 21.087 5.708 -0.050 406 HB3 ASP 58 HB3 ASP 58 21.956 6.989 -0.890 407 H ILE 59 H ILE 59 17.777 7.451 0.206 408 HA ILE 59 HA ILE 59 17.599 5.907 2.687 409 HB ILE 59 HB ILE 59 15.727 8.211 2.190 410 HG12 ILE 59 HG12 ILE 59 18.139 8.952 2.455 411 HG13 ILE 59 HG13 ILE 59 17.009 9.598 3.640 412 HG21 ILE 59 HG21 ILE 59 14.704 6.808 3.700 413 HG22 ILE 59 HG22 ILE 59 16.230 6.281 4.407 414 HG23 ILE 59 HG23 ILE 59 15.593 7.883 4.779 415 HD11 ILE 59 HD11 ILE 59 17.899 8.370 5.355 416 HD12 ILE 59 HD12 ILE 59 18.521 7.117 4.281 417 HD13 ILE 59 HD13 ILE 59 19.332 8.680 4.376 418 HA PRO 60 HA PRO 60 15.000 3.810 -0.365 419 HB2 PRO 60 HB2 PRO 60 14.989 1.442 0.963 420 HB3 PRO 60 HB3 PRO 60 16.325 1.955 -0.074 421 HG2 PRO 60 HG2 PRO 60 16.083 2.087 2.906 422 HG3 PRO 60 HG3 PRO 60 17.472 1.600 1.917 423 HD2 PRO 60 HD2 PRO 60 17.272 4.057 3.037 424 HD3 PRO 60 HD3 PRO 60 18.090 3.778 1.486 425 H LEU 61 H LEU 61 12.849 3.129 -0.345 426 HA LEU 61 HA LEU 61 11.095 4.341 1.394 427 HB2 LEU 61 HB2 LEU 61 10.936 2.263 -0.652 428 HB3 LEU 61 HB3 LEU 61 9.686 2.130 0.584 429 HG LEU 61 HG LEU 61 8.866 4.330 0.070 430 HD11 LEU 61 HD11 LEU 61 10.975 5.436 -0.397 431 HD12 LEU 61 HD12 LEU 61 9.844 5.681 -1.727 432 HD13 LEU 61 HD13 LEU 61 11.152 4.510 -1.887 433 HD21 LEU 61 HD21 LEU 61 8.560 3.947 -2.534 434 HD22 LEU 61 HD22 LEU 61 7.753 2.930 -1.340 435 HD23 LEU 61 HD23 LEU 61 9.228 2.366 -2.127 436 H GLY 62 H GLY 62 12.868 1.406 1.824 437 HA2 GLY 62 HA2 GLY 62 11.202 0.291 3.868 438 HA3 GLY 62 HA3 GLY 62 12.842 -0.202 3.477 439 H ALA 63 H ALA 63 14.029 2.391 3.849 440 HA ALA 63 HA ALA 63 14.369 2.287 6.702 441 HB1 ALA 63 HB1 ALA 63 15.988 4.166 6.276 442 HB2 ALA 63 HB2 ALA 63 16.330 2.661 5.422 443 HB3 ALA 63 HB3 ALA 63 15.594 4.013 4.563 444 H LEU 64 H LEU 64 12.556 4.201 4.460 445 HA LEU 64 HA LEU 64 12.048 6.294 6.423 446 HB2 LEU 64 HB2 LEU 64 11.656 5.956 3.520 447 HB3 LEU 64 HB3 LEU 64 10.433 6.913 4.354 448 HG LEU 64 HG LEU 64 13.298 7.586 4.803 449 HD11 LEU 64 HD11 LEU 64 11.963 8.853 2.483 450 HD12 LEU 64 HD12 LEU 64 12.626 7.235 2.255 451 HD13 LEU 64 HD13 LEU 64 13.674 8.551 2.785 452 HD21 LEU 64 HD21 LEU 64 10.749 8.699 5.378 453 HD22 LEU 64 HD22 LEU 64 11.596 9.797 4.288 454 HD23 LEU 64 HD23 LEU 64 12.344 9.315 5.811 455 H ILE 65 H ILE 65 10.972 3.307 6.150 456 HA ILE 65 HA ILE 65 8.203 3.377 5.948 457 HB ILE 65 HB ILE 65 9.988 1.589 7.591 458 HG12 ILE 65 HG12 ILE 65 8.456 1.115 5.024 459 HG13 ILE 65 HG13 ILE 65 10.181 1.452 5.126 460 HG21 ILE 65 HG21 ILE 65 7.992 0.082 7.731 461 HG22 ILE 65 HG22 ILE 65 7.881 1.551 8.699 462 HG23 ILE 65 HG23 ILE 65 7.011 1.435 7.169 463 HD11 ILE 65 HD11 ILE 65 9.889 -0.890 4.832 464 HD12 ILE 65 HD12 ILE 65 10.427 -0.615 6.490 465 HD13 ILE 65 HD13 ILE 65 8.731 -0.969 6.160 466 H LYS 66 H LYS 66 6.575 3.989 7.246 467 HA LYS 66 HA LYS 66 7.279 5.003 9.922 468 HB2 LYS 66 HB2 LYS 66 5.008 5.915 8.147 469 HB3 LYS 66 HB3 LYS 66 5.462 6.604 9.701 470 HG2 LYS 66 HG2 LYS 66 7.355 7.619 8.846 471 HG3 LYS 66 HG3 LYS 66 7.432 6.536 7.455 472 HD2 LYS 66 HD2 LYS 66 5.167 8.473 7.851 473 HD3 LYS 66 HD3 LYS 66 6.661 8.931 7.029 474 HE2 LYS 66 HE2 LYS 66 5.948 7.987 5.149 475 HE3 LYS 66 HE3 LYS 66 5.739 6.443 5.973 476 HZ1 LYS 66 HZ1 LYS 66 3.732 8.632 5.913 477 HZ2 LYS 66 HZ2 LYS 66 3.533 7.118 6.640 478 HZ3 LYS 66 HZ3 LYS 66 3.679 7.235 4.959 479 H ARG 67 H ARG 67 5.864 2.469 8.451 480 HA ARG 67 HA ARG 67 3.618 2.226 10.308 481 HB2 ARG 67 HB2 ARG 67 3.430 1.695 7.820 482 HB3 ARG 67 HB3 ARG 67 4.400 0.267 8.155 483 HG2 ARG 67 HG2 ARG 67 2.117 0.562 9.945 484 HG3 ARG 67 HG3 ARG 67 1.672 0.402 8.245 485 HD2 ARG 67 HD2 ARG 67 3.752 -1.449 9.219 486 HD3 ARG 67 HD3 ARG 67 2.135 -1.689 9.880 487 HE ARG 67 HE ARG 67 1.945 -1.423 7.095 488 HH11 ARG 67 HH11 ARG 67 3.157 -3.638 9.492 489 HH12 ARG 67 HH12 ARG 67 2.937 -5.039 8.498 490 HH21 ARG 67 HH21 ARG 67 1.650 -3.261 5.776 491 HH22 ARG 67 HH22 ARG 67 2.080 -4.824 6.384 492 H GLY 68 H GLY 68 6.790 1.695 10.508 493 HA2 GLY 68 HA2 GLY 68 6.412 -0.600 12.315 494 HA3 GLY 68 HA3 GLY 68 7.723 -0.613 11.146 Start of MODEL 5 1 H MET 1 H MET 1 4.605 0.812 -5.836 2 HA MET 1 HA MET 1 2.520 1.730 -3.980 3 HB2 MET 1 HB2 MET 1 2.627 1.285 -6.902 4 HB3 MET 1 HB3 MET 1 1.128 0.818 -6.110 5 HG2 MET 1 HG2 MET 1 0.475 2.926 -5.915 6 HG3 MET 1 HG3 MET 1 2.020 3.413 -5.220 7 HE1 MET 1 HE1 MET 1 0.534 5.201 -8.804 8 HE2 MET 1 HE2 MET 1 -0.322 3.771 -8.229 9 HE3 MET 1 HE3 MET 1 0.051 5.084 -7.112 10 H ASP 2 H ASP 2 3.629 -1.108 -5.788 11 HA ASP 2 HA ASP 2 2.234 -2.796 -3.824 12 HB2 ASP 2 HB2 ASP 2 2.235 -3.030 -6.822 13 HB3 ASP 2 HB3 ASP 2 1.974 -4.445 -5.805 14 H ILE 3 H ILE 3 4.514 -3.139 -6.550 15 HA ILE 3 HA ILE 3 6.007 -5.145 -5.088 16 HB ILE 3 HB ILE 3 6.942 -3.992 -7.684 17 HG12 ILE 3 HG12 ILE 3 5.376 -6.071 -8.495 18 HG13 ILE 3 HG13 ILE 3 4.395 -5.398 -7.197 19 HG21 ILE 3 HG21 ILE 3 7.038 -6.780 -7.680 20 HG22 ILE 3 HG22 ILE 3 8.381 -5.665 -7.434 21 HG23 ILE 3 HG23 ILE 3 7.494 -6.295 -6.046 22 HD11 ILE 3 HD11 ILE 3 4.985 -4.343 -9.859 23 HD12 ILE 3 HD12 ILE 3 3.599 -4.067 -8.802 24 HD13 ILE 3 HD13 ILE 3 5.090 -3.157 -8.557 25 H ASP 4 H ASP 4 8.394 -4.993 -4.945 26 HA ASP 4 HA ASP 4 9.265 -2.227 -4.419 27 HB2 ASP 4 HB2 ASP 4 9.889 -4.737 -2.854 28 HB3 ASP 4 HB3 ASP 4 10.710 -3.198 -2.611 29 H PHE 5 H PHE 5 9.737 -4.945 -6.268 30 HA PHE 5 HA PHE 5 12.618 -4.688 -6.523 31 HB2 PHE 5 HB2 PHE 5 11.492 -6.914 -6.604 32 HB3 PHE 5 HB3 PHE 5 10.716 -6.425 -8.107 33 HD1 PHE 5 HD1 PHE 5 11.983 -6.240 -10.161 34 HD2 PHE 5 HD2 PHE 5 13.844 -7.445 -6.528 35 HE1 PHE 5 HE1 PHE 5 13.933 -7.040 -11.430 36 HE2 PHE 5 HE2 PHE 5 15.797 -8.246 -7.790 37 HZ PHE 5 HZ PHE 5 15.844 -8.044 -10.244 38 H SER 6 H SER 6 9.809 -4.426 -8.703 39 HA SER 6 HA SER 6 11.434 -2.999 -10.651 40 HB2 SER 6 HB2 SER 6 8.779 -3.025 -11.543 41 HB3 SER 6 HB3 SER 6 10.074 -4.111 -12.047 42 HG SER 6 HG SER 6 7.935 -4.565 -10.365 43 H THR 7 H THR 7 11.705 -0.889 -10.404 44 HA THR 7 HA THR 7 9.445 0.863 -10.121 45 HB THR 7 HB THR 7 10.899 1.982 -8.112 46 HG1 THR 7 HG1 THR 7 12.163 -0.057 -8.101 47 HG21 THR 7 HG21 THR 7 8.406 0.563 -8.397 48 HG22 THR 7 HG22 THR 7 8.805 1.921 -7.345 49 HG23 THR 7 HG23 THR 7 9.106 0.270 -6.806 50 H CYS 8 H CYS 8 11.842 0.268 -11.848 51 HA CYS 8 HA CYS 8 12.743 3.050 -12.092 52 HB2 CYS 8 HB2 CYS 8 14.450 1.494 -10.935 53 HB3 CYS 8 HB3 CYS 8 14.656 0.768 -12.526 54 H ALA 9 H ALA 9 13.515 3.611 -14.224 55 HA ALA 9 HA ALA 9 11.897 2.535 -16.285 56 HB1 ALA 9 HB1 ALA 9 12.704 4.226 -17.623 57 HB2 ALA 9 HB2 ALA 9 12.949 4.906 -16.013 58 HB3 ALA 9 HB3 ALA 9 14.306 4.192 -16.885 59 H ARG 10 H ARG 10 14.870 1.547 -14.994 60 HA ARG 10 HA ARG 10 15.734 0.223 -17.449 61 HB2 ARG 10 HB2 ARG 10 17.088 0.111 -14.757 62 HB3 ARG 10 HB3 ARG 10 17.787 -0.232 -16.333 63 HG2 ARG 10 HG2 ARG 10 16.831 2.476 -15.431 64 HG3 ARG 10 HG3 ARG 10 18.508 1.929 -15.398 65 HD2 ARG 10 HD2 ARG 10 17.483 1.427 -17.992 66 HD3 ARG 10 HD3 ARG 10 17.046 3.078 -17.553 67 HE ARG 10 HE ARG 10 19.682 2.066 -18.096 68 HH11 ARG 10 HH11 ARG 10 17.836 4.537 -16.481 69 HH12 ARG 10 HH12 ARG 10 19.137 5.681 -16.466 70 HH21 ARG 10 HH21 ARG 10 21.402 3.564 -18.082 71 HH22 ARG 10 HH22 ARG 10 21.164 5.127 -17.377 72 H MET 11 H MET 11 13.303 -0.549 -15.891 73 HA MET 11 HA MET 11 13.803 -2.985 -14.539 74 HB2 MET 11 HB2 MET 11 11.376 -1.650 -15.667 75 HB3 MET 11 HB3 MET 11 11.271 -3.332 -15.165 76 HG2 MET 11 HG2 MET 11 11.663 -2.827 -12.938 77 HG3 MET 11 HG3 MET 11 12.384 -1.265 -13.318 78 HE1 MET 11 HE1 MET 11 9.194 -3.337 -13.831 79 HE2 MET 11 HE2 MET 11 7.891 -2.150 -13.774 80 HE3 MET 11 HE3 MET 11 8.963 -2.217 -15.174 81 H ASP 12 H ASP 12 11.925 -2.695 -17.543 82 HA ASP 12 HA ASP 12 13.582 -4.597 -18.927 83 HB2 ASP 12 HB2 ASP 12 11.730 -5.739 -17.298 84 HB3 ASP 12 HB3 ASP 12 10.800 -5.572 -18.785 85 H VAL 13 H VAL 13 10.532 -2.828 -18.782 86 HA VAL 13 HA VAL 13 10.595 -2.570 -21.716 87 HB VAL 13 HB VAL 13 8.180 -1.823 -21.428 88 HG11 VAL 13 HG11 VAL 13 8.425 -4.635 -20.492 89 HG12 VAL 13 HG12 VAL 13 7.443 -3.957 -21.793 90 HG13 VAL 13 HG13 VAL 13 9.176 -4.192 -22.024 91 HG21 VAL 13 HG21 VAL 13 7.162 -1.833 -19.432 92 HG22 VAL 13 HG22 VAL 13 7.931 -3.342 -18.941 93 HG23 VAL 13 HG23 VAL 13 8.794 -1.815 -18.764 94 HA PRO 14 HA PRO 14 11.795 1.598 -20.150 95 HB2 PRO 14 HB2 PRO 14 13.526 2.097 -22.181 96 HB3 PRO 14 HB3 PRO 14 13.984 1.205 -20.725 97 HG2 PRO 14 HG2 PRO 14 13.224 0.160 -23.426 98 HG3 PRO 14 HG3 PRO 14 14.534 -0.364 -22.352 99 HD2 PRO 14 HD2 PRO 14 12.188 -1.702 -22.549 100 HD3 PRO 14 HD3 PRO 14 13.122 -1.629 -21.041 101 H ILE 15 H ILE 15 9.454 1.873 -20.861 102 HA ILE 15 HA ILE 15 9.377 3.342 -23.415 103 HB ILE 15 HB ILE 15 6.881 2.799 -23.379 104 HG12 ILE 15 HG12 ILE 15 7.467 0.311 -21.910 105 HG13 ILE 15 HG13 ILE 15 7.427 1.762 -20.914 106 HG21 ILE 15 HG21 ILE 15 8.616 0.379 -23.750 107 HG22 ILE 15 HG22 ILE 15 7.201 0.876 -24.677 108 HG23 ILE 15 HG23 ILE 15 8.714 1.770 -24.830 109 HD11 ILE 15 HD11 ILE 15 5.247 1.144 -20.796 110 HD12 ILE 15 HD12 ILE 15 5.178 2.169 -22.230 111 HD13 ILE 15 HD13 ILE 15 5.248 0.416 -22.402 112 H LEU 16 H LEU 16 8.397 3.212 -20.058 113 HA LEU 16 HA LEU 16 7.556 6.028 -20.254 114 HB2 LEU 16 HB2 LEU 16 6.209 5.273 -18.090 115 HB3 LEU 16 HB3 LEU 16 5.541 5.159 -19.717 116 HG LEU 16 HG LEU 16 6.135 2.777 -19.782 117 HD11 LEU 16 HD11 LEU 16 8.053 3.057 -18.146 118 HD12 LEU 16 HD12 LEU 16 7.046 1.624 -17.946 119 HD13 LEU 16 HD13 LEU 16 6.837 3.005 -16.870 120 HD21 LEU 16 HD21 LEU 16 4.537 2.043 -17.968 121 HD22 LEU 16 HD22 LEU 16 3.920 3.244 -19.103 122 HD23 LEU 16 HD23 LEU 16 4.439 3.739 -17.491 123 H LYS 17 H LYS 17 9.966 6.190 -19.825 124 HA LYS 17 HA LYS 17 11.146 5.457 -17.413 125 HB2 LYS 17 HB2 LYS 17 11.753 8.015 -18.892 126 HB3 LYS 17 HB3 LYS 17 12.846 7.063 -17.896 127 HG2 LYS 17 HG2 LYS 17 11.904 5.356 -19.929 128 HG3 LYS 17 HG3 LYS 17 12.346 6.883 -20.696 129 HD2 LYS 17 HD2 LYS 17 14.552 6.782 -19.698 130 HD3 LYS 17 HD3 LYS 17 14.114 5.315 -18.818 131 HE2 LYS 17 HE2 LYS 17 14.595 4.034 -20.574 132 HE3 LYS 17 HE3 LYS 17 13.603 5.023 -21.643 133 HZ1 LYS 17 HZ1 LYS 17 16.212 6.075 -20.844 134 HZ2 LYS 17 HZ2 LYS 17 15.376 6.256 -22.303 135 HZ3 LYS 17 HZ3 LYS 17 16.189 4.811 -21.968 136 H LYS 18 H LYS 18 9.202 8.283 -18.229 137 HA LYS 18 HA LYS 18 9.611 9.739 -15.863 138 HB2 LYS 18 HB2 LYS 18 8.173 10.098 -18.204 139 HB3 LYS 18 HB3 LYS 18 6.924 10.008 -16.969 140 HG2 LYS 18 HG2 LYS 18 7.524 12.297 -17.278 141 HG3 LYS 18 HG3 LYS 18 8.127 11.774 -15.703 142 HD2 LYS 18 HD2 LYS 18 10.194 11.224 -17.496 143 HD3 LYS 18 HD3 LYS 18 9.575 12.804 -17.980 144 HE2 LYS 18 HE2 LYS 18 10.279 13.806 -16.080 145 HE3 LYS 18 HE3 LYS 18 9.931 12.395 -15.082 146 HZ1 LYS 18 HZ1 LYS 18 11.987 11.534 -16.585 147 HZ2 LYS 18 HZ2 LYS 18 12.141 12.182 -15.030 148 HZ3 LYS 18 HZ3 LYS 18 12.387 13.166 -16.384 149 H ALA 19 H ALA 19 7.358 7.162 -16.674 150 HA ALA 19 HA ALA 19 5.793 7.382 -14.304 151 HB1 ALA 19 HB1 ALA 19 5.085 6.290 -16.463 152 HB2 ALA 19 HB2 ALA 19 6.096 4.919 -16.005 153 HB3 ALA 19 HB3 ALA 19 4.728 5.383 -14.993 154 H ALA 20 H ALA 20 8.462 5.252 -15.286 155 HA ALA 20 HA ALA 20 8.540 3.683 -12.962 156 HB1 ALA 20 HB1 ALA 20 9.822 3.581 -15.316 157 HB2 ALA 20 HB2 ALA 20 11.109 4.240 -14.306 158 HB3 ALA 20 HB3 ALA 20 10.356 2.703 -13.882 159 H GLN 21 H GLN 21 10.312 6.643 -13.814 160 HA GLN 21 HA GLN 21 11.823 6.786 -11.436 161 HB2 GLN 21 HB2 GLN 21 11.284 8.507 -13.742 162 HB3 GLN 21 HB3 GLN 21 11.555 9.403 -12.253 163 HG2 GLN 21 HG2 GLN 21 13.714 8.526 -11.989 164 HG3 GLN 21 HG3 GLN 21 13.431 7.254 -13.176 165 HE21 GLN 21 HE21 GLN 21 14.777 7.622 -14.793 166 HE22 GLN 21 HE22 GLN 21 14.996 9.132 -15.604 167 H GLY 22 H GLY 22 8.593 7.836 -12.267 168 HA2 GLY 22 HA2 GLY 22 8.092 9.674 -10.242 169 HA3 GLY 22 HA3 GLY 22 6.877 8.631 -10.966 170 H LEU 23 H LEU 23 8.308 6.195 -10.071 171 HA LEU 23 HA LEU 23 7.025 5.947 -7.530 172 HB2 LEU 23 HB2 LEU 23 8.969 4.032 -8.804 173 HB3 LEU 23 HB3 LEU 23 7.774 3.672 -7.559 174 HG LEU 23 HG LEU 23 7.298 4.253 -10.474 175 HD11 LEU 23 HD11 LEU 23 6.910 1.888 -8.670 176 HD12 LEU 23 HD12 LEU 23 7.801 1.989 -10.188 177 HD13 LEU 23 HD13 LEU 23 6.038 2.048 -10.195 178 HD21 LEU 23 HD21 LEU 23 5.420 4.354 -8.149 179 HD22 LEU 23 HD22 LEU 23 4.849 3.821 -9.730 180 HD23 LEU 23 HD23 LEU 23 5.541 5.432 -9.539 181 H CYS 24 H CYS 24 9.743 7.515 -8.261 182 HA CYS 24 HA CYS 24 11.054 6.786 -5.723 183 HB2 CYS 24 HB2 CYS 24 12.136 6.802 -8.353 184 HB3 CYS 24 HB3 CYS 24 12.883 8.126 -7.465 185 H ILE 25 H ILE 25 10.702 9.440 -8.075 186 HA ILE 25 HA ILE 25 11.506 11.481 -6.295 187 HB ILE 25 HB ILE 25 9.769 11.688 -8.758 188 HG12 ILE 25 HG12 ILE 25 12.198 12.694 -9.445 189 HG13 ILE 25 HG13 ILE 25 12.679 11.440 -8.308 190 HG21 ILE 25 HG21 ILE 25 9.504 13.641 -7.360 191 HG22 ILE 25 HG22 ILE 25 11.252 13.808 -7.212 192 HG23 ILE 25 HG23 ILE 25 10.473 14.054 -8.774 193 HD11 ILE 25 HD11 ILE 25 10.700 10.483 -10.183 194 HD12 ILE 25 HD12 ILE 25 12.133 11.116 -10.993 195 HD13 ILE 25 HD13 ILE 25 12.293 9.838 -9.788 196 H THR 26 H THR 26 8.291 10.351 -7.305 197 HA THR 26 HA THR 26 6.912 12.171 -5.571 198 HB THR 26 HB THR 26 6.183 10.297 -7.636 199 HG1 THR 26 HG1 THR 26 5.682 12.694 -7.119 200 HG21 THR 26 HG21 THR 26 5.386 8.857 -5.859 201 HG22 THR 26 HG22 THR 26 4.008 9.595 -6.677 202 HG23 THR 26 HG23 THR 26 4.534 10.205 -5.108 203 H SER 27 H SER 27 7.869 8.783 -5.433 204 HA SER 27 HA SER 27 6.403 8.027 -3.169 205 HB2 SER 27 HB2 SER 27 7.903 6.641 -4.854 206 HB3 SER 27 HB3 SER 27 9.134 6.894 -3.617 207 HG SER 27 HG SER 27 7.336 6.108 -2.149 208 H CYS 28 H CYS 28 9.384 9.803 -3.510 209 HA CYS 28 HA CYS 28 10.215 9.561 -0.791 210 HB2 CYS 28 HB2 CYS 28 11.299 10.600 -3.171 211 HB3 CYS 28 HB3 CYS 28 11.202 11.959 -2.056 212 H SER 29 H SER 29 8.449 12.014 -2.634 213 HA SER 29 HA SER 29 8.276 13.991 -0.689 214 HB2 SER 29 HB2 SER 29 7.439 13.878 -3.204 215 HB3 SER 29 HB3 SER 29 5.904 13.482 -2.432 216 HG SER 29 HG SER 29 6.065 15.710 -2.676 217 H MET 30 H MET 30 6.490 11.009 -1.044 218 HA MET 30 HA MET 30 4.439 11.648 0.832 219 HB2 MET 30 HB2 MET 30 5.317 8.853 0.151 220 HB3 MET 30 HB3 MET 30 3.709 9.424 0.578 221 HG2 MET 30 HG2 MET 30 4.296 10.854 -1.696 222 HG3 MET 30 HG3 MET 30 5.011 9.274 -2.011 223 HE1 MET 30 HE1 MET 30 3.377 7.064 -2.709 224 HE2 MET 30 HE2 MET 30 3.659 7.179 -0.972 225 HE3 MET 30 HE3 MET 30 2.034 6.862 -1.583 226 H GLN 31 H GLN 31 7.706 10.750 1.134 227 HA GLN 31 HA GLN 31 7.304 9.878 3.914 228 HB2 GLN 31 HB2 GLN 31 9.979 9.657 2.651 229 HB3 GLN 31 HB3 GLN 31 9.159 8.557 3.751 230 HG2 GLN 31 HG2 GLN 31 7.595 8.238 1.621 231 HG3 GLN 31 HG3 GLN 31 9.085 8.701 0.800 232 HE21 GLN 31 HE21 GLN 31 7.679 6.412 3.066 233 HE22 GLN 31 HE22 GLN 31 8.806 5.138 2.766 234 H ASN 32 H ASN 32 7.414 12.674 2.701 235 HA ASN 32 HA ASN 32 8.124 14.729 3.369 236 HB2 ASN 32 HB2 ASN 32 9.589 13.504 5.685 237 HB3 ASN 32 HB3 ASN 32 8.743 15.046 5.599 238 HD21 ASN 32 HD21 ASN 32 8.587 12.487 7.293 239 HD22 ASN 32 HD22 ASN 32 6.891 12.164 7.361 240 H CYS 33 H CYS 33 9.654 13.339 1.483 241 HA CYS 33 HA CYS 33 12.416 14.079 2.177 242 HB2 CYS 33 HB2 CYS 33 11.329 12.162 0.110 243 HB3 CYS 33 HB3 CYS 33 13.021 12.644 0.188 244 H GLY 34 H GLY 34 13.588 14.423 -0.202 245 HA2 GLY 34 HA2 GLY 34 12.173 16.772 -1.284 246 HA3 GLY 34 HA3 GLY 34 13.918 16.561 -1.278 247 H THR 35 H THR 35 14.466 14.283 -2.415 248 HA THR 35 HA THR 35 12.865 13.951 -4.831 249 HB THR 35 HB THR 35 14.608 15.717 -5.298 250 HG1 THR 35 HG1 THR 35 13.710 14.413 -6.973 251 HG21 THR 35 HG21 THR 35 16.868 15.256 -5.287 252 HG22 THR 35 HG22 THR 35 16.623 13.515 -5.418 253 HG23 THR 35 HG23 THR 35 16.331 14.335 -3.884 254 H GLY 36 H GLY 36 14.178 12.241 -6.289 255 HA2 GLY 36 HA2 GLY 36 15.687 10.286 -4.858 256 HA3 GLY 36 HA3 GLY 36 14.008 9.796 -5.027 257 H SER 37 H SER 37 16.861 9.178 -6.274 258 HA SER 37 HA SER 37 15.851 8.954 -9.034 259 HB2 SER 37 HB2 SER 37 17.996 10.415 -8.372 260 HB3 SER 37 HB3 SER 37 18.782 8.845 -8.532 261 HG SER 37 HG SER 37 17.444 10.376 -10.471 262 H CYS 38 H CYS 38 16.170 7.027 -10.131 263 HA CYS 38 HA CYS 38 16.981 4.755 -8.440 264 HB2 CYS 38 HB2 CYS 38 15.442 3.375 -9.652 265 HB3 CYS 38 HB3 CYS 38 14.578 4.831 -9.171 266 H LYS 39 H LYS 39 18.410 3.257 -9.215 267 HA LYS 39 HA LYS 39 19.362 3.481 -11.963 268 HB2 LYS 39 HB2 LYS 39 21.314 3.521 -9.664 269 HB3 LYS 39 HB3 LYS 39 21.662 3.737 -11.374 270 HG2 LYS 39 HG2 LYS 39 20.512 5.865 -11.373 271 HG3 LYS 39 HG3 LYS 39 20.053 5.641 -9.683 272 HD2 LYS 39 HD2 LYS 39 22.246 5.914 -8.929 273 HD3 LYS 39 HD3 LYS 39 22.932 5.595 -10.523 274 HE2 LYS 39 HE2 LYS 39 21.374 7.786 -11.003 275 HE3 LYS 39 HE3 LYS 39 21.935 8.093 -9.360 276 HZ1 LYS 39 HZ1 LYS 39 23.464 7.940 -11.848 277 HZ2 LYS 39 HZ2 LYS 39 24.217 7.401 -10.433 278 HZ3 LYS 39 HZ3 LYS 39 23.643 8.989 -10.533 279 H LYS 40 H LYS 40 20.505 1.633 -12.703 280 HA LYS 40 HA LYS 40 19.598 -0.810 -11.557 281 HB2 LYS 40 HB2 LYS 40 21.036 0.034 -13.966 282 HB3 LYS 40 HB3 LYS 40 21.555 -1.531 -13.354 283 HG2 LYS 40 HG2 LYS 40 18.718 -0.764 -14.015 284 HG3 LYS 40 HG3 LYS 40 19.786 -1.740 -15.025 285 HD2 LYS 40 HD2 LYS 40 19.980 -3.176 -12.814 286 HD3 LYS 40 HD3 LYS 40 18.415 -2.433 -12.475 287 HE2 LYS 40 HE2 LYS 40 18.117 -4.569 -13.591 288 HE3 LYS 40 HE3 LYS 40 17.572 -3.252 -14.629 289 HZ1 LYS 40 HZ1 LYS 40 19.135 -5.175 -15.502 290 HZ2 LYS 40 HZ2 LYS 40 20.339 -4.133 -14.929 291 HZ3 LYS 40 HZ3 LYS 40 19.242 -3.595 -16.099 292 H ARG 41 H ARG 41 20.432 -1.656 -9.768 293 HA ARG 41 HA ARG 41 23.279 -1.264 -9.187 294 HB2 ARG 41 HB2 ARG 41 21.010 -2.205 -7.425 295 HB3 ARG 41 HB3 ARG 41 22.683 -2.049 -6.904 296 HG2 ARG 41 HG2 ARG 41 20.973 0.214 -7.914 297 HG3 ARG 41 HG3 ARG 41 21.279 -0.152 -6.215 298 HD2 ARG 41 HD2 ARG 41 23.385 0.528 -8.265 299 HD3 ARG 41 HD3 ARG 41 22.731 1.644 -7.067 300 HE ARG 41 HE ARG 41 23.643 -0.450 -5.590 301 HH11 ARG 41 HH11 ARG 41 25.057 1.644 -7.985 302 HH12 ARG 41 HH12 ARG 41 26.652 1.549 -7.316 303 HH21 ARG 41 HH21 ARG 41 25.739 -0.584 -4.699 304 HH22 ARG 41 HH22 ARG 41 27.039 0.280 -5.447 305 H SER 42 H SER 42 24.472 -2.812 -10.119 306 HA SER 42 HA SER 42 25.321 -4.862 -10.624 307 HB2 SER 42 HB2 SER 42 24.525 -5.025 -7.994 308 HB3 SER 42 HB3 SER 42 23.706 -6.406 -8.723 309 HG SER 42 HG SER 42 26.447 -5.889 -9.175 310 H GLY 43 H GLY 43 22.862 -3.913 -11.905 311 HA2 GLY 43 HA2 GLY 43 21.678 -4.832 -13.698 312 HA3 GLY 43 HA3 GLY 43 22.101 -6.438 -13.124 313 H ARG 44 H ARG 44 20.871 -4.389 -10.706 314 HA ARG 44 HA ARG 44 18.212 -5.632 -10.973 315 HB2 ARG 44 HB2 ARG 44 19.743 -4.994 -8.445 316 HB3 ARG 44 HB3 ARG 44 18.087 -5.584 -8.495 317 HG2 ARG 44 HG2 ARG 44 20.330 -7.118 -9.756 318 HG3 ARG 44 HG3 ARG 44 19.953 -7.268 -8.039 319 HD2 ARG 44 HD2 ARG 44 17.506 -7.620 -8.978 320 HD3 ARG 44 HD3 ARG 44 18.389 -8.128 -10.418 321 HE ARG 44 HE ARG 44 19.288 -9.371 -7.980 322 HH11 ARG 44 HH11 ARG 44 17.060 -9.543 -10.649 323 HH12 ARG 44 HH12 ARG 44 16.824 -11.254 -10.512 324 HH21 ARG 44 HH21 ARG 44 18.986 -11.624 -7.789 325 HH22 ARG 44 HH22 ARG 44 17.920 -12.436 -8.884 326 HA PRO 45 HA PRO 45 16.683 -1.488 -11.123 327 HB2 PRO 45 HB2 PRO 45 14.062 -2.057 -10.699 328 HB3 PRO 45 HB3 PRO 45 14.876 -2.369 -12.237 329 HG2 PRO 45 HG2 PRO 45 14.256 -4.263 -10.003 330 HG3 PRO 45 HG3 PRO 45 14.092 -4.504 -11.752 331 HD2 PRO 45 HD2 PRO 45 16.184 -5.480 -10.337 332 HD3 PRO 45 HD3 PRO 45 16.336 -4.957 -12.027 333 H THR 46 H THR 46 17.703 -0.735 -9.195 334 HA THR 46 HA THR 46 16.107 -0.985 -6.738 335 HB THR 46 HB THR 46 18.968 -0.069 -7.092 336 HG1 THR 46 HG1 THR 46 18.287 -2.424 -7.243 337 HG21 THR 46 HG21 THR 46 17.089 0.073 -4.830 338 HG22 THR 46 HG22 THR 46 18.545 1.013 -5.156 339 HG23 THR 46 HG23 THR 46 18.674 -0.597 -4.448 340 H CYS 47 H CYS 47 15.262 0.773 -5.724 341 HA CYS 47 HA CYS 47 15.432 3.320 -7.182 342 HB2 CYS 47 HB2 CYS 47 13.212 1.926 -6.453 343 HB3 CYS 47 HB3 CYS 47 13.382 3.018 -5.082 344 H VAL 48 H VAL 48 16.637 4.866 -6.326 345 HA VAL 48 HA VAL 48 17.160 4.812 -3.428 346 HB VAL 48 HB VAL 48 18.819 6.364 -5.389 347 HG11 VAL 48 HG11 VAL 48 19.000 5.513 -2.569 348 HG12 VAL 48 HG12 VAL 48 20.500 5.462 -3.497 349 HG13 VAL 48 HG13 VAL 48 19.599 6.972 -3.356 350 HG21 VAL 48 HG21 VAL 48 19.266 4.410 -6.419 351 HG22 VAL 48 HG22 VAL 48 20.304 4.138 -5.019 352 HG23 VAL 48 HG23 VAL 48 18.685 3.440 -5.065 353 H CYS 49 H CYS 49 17.042 6.716 -2.227 354 HA CYS 49 HA CYS 49 15.572 8.910 -3.534 355 HB2 CYS 49 HB2 CYS 49 15.021 7.397 -1.135 356 HB3 CYS 49 HB3 CYS 49 15.190 9.108 -0.757 357 H TYR 50 H TYR 50 15.858 11.052 -2.436 358 HA TYR 50 HA TYR 50 18.339 11.439 -0.998 359 HB2 TYR 50 HB2 TYR 50 17.943 12.597 -3.764 360 HB3 TYR 50 HB3 TYR 50 19.229 13.063 -2.656 361 HD1 TYR 50 HD1 TYR 50 21.073 11.533 -2.174 362 HD2 TYR 50 HD2 TYR 50 18.013 10.487 -4.939 363 HE1 TYR 50 HE1 TYR 50 22.485 9.714 -3.040 364 HE2 TYR 50 HE2 TYR 50 19.416 8.665 -5.812 365 HH TYR 50 HH TYR 50 22.540 7.891 -4.351 366 H ARG 51 H ARG 51 18.699 13.914 -0.707 367 HA ARG 51 HA ARG 51 17.929 15.781 0.349 368 HB2 ARG 51 HB2 ARG 51 15.770 15.567 -1.758 369 HB3 ARG 51 HB3 ARG 51 16.156 17.008 -0.827 370 HG2 ARG 51 HG2 ARG 51 18.577 16.391 -1.907 371 HG3 ARG 51 HG3 ARG 51 17.469 15.877 -3.181 372 HD2 ARG 51 HD2 ARG 51 16.857 17.987 -3.670 373 HD3 ARG 51 HD3 ARG 51 16.843 18.480 -1.978 374 HE ARG 51 HE ARG 51 18.980 18.807 -3.847 375 HH11 ARG 51 HH11 ARG 51 18.220 18.368 -0.479 376 HH12 ARG 51 HH12 ARG 51 19.672 19.129 0.083 377 HH21 ARG 51 HH21 ARG 51 20.895 19.811 -3.121 378 HH22 ARG 51 HH22 ARG 51 21.192 19.951 -1.421 379 H CYS 52 H CYS 52 16.975 13.187 1.328 380 HA CYS 52 HA CYS 52 14.240 13.454 2.100 381 HB2 CYS 52 HB2 CYS 52 15.940 11.360 2.008 382 HB3 CYS 52 HB3 CYS 52 16.033 11.742 3.724 383 H ALA 53 H ALA 53 13.745 13.228 4.566 384 HA ALA 53 HA ALA 53 15.123 15.457 5.906 385 HB1 ALA 53 HB1 ALA 53 12.304 14.517 5.889 386 HB2 ALA 53 HB2 ALA 53 12.921 15.279 7.356 387 HB3 ALA 53 HB3 ALA 53 12.953 16.157 5.826 388 H ASN 54 H ASN 54 14.205 12.111 6.188 389 HA ASN 54 HA ASN 54 15.072 11.977 8.968 390 HB2 ASN 54 HB2 ASN 54 13.078 10.677 7.706 391 HB3 ASN 54 HB3 ASN 54 14.370 9.498 7.497 392 HD21 ASN 54 HD21 ASN 54 14.972 8.264 9.177 393 HD22 ASN 54 HD22 ASN 54 14.296 8.373 10.763 394 H GLY 55 H GLY 55 16.851 12.440 6.528 395 HA2 GLY 55 HA2 GLY 55 19.130 11.113 7.463 396 HA3 GLY 55 HA3 GLY 55 18.471 10.166 6.138 397 H GLY 56 H GLY 56 17.454 12.564 4.753 398 HA2 GLY 56 HA2 GLY 56 18.166 14.026 3.134 399 HA3 GLY 56 HA3 GLY 56 19.495 14.409 4.219 400 H GLY 57 H GLY 57 18.499 11.680 2.138 401 HA2 GLY 57 HA2 GLY 57 20.442 11.788 0.237 402 HA3 GLY 57 HA3 GLY 57 21.243 11.001 1.588 403 H ASP 58 H ASP 58 21.483 8.996 0.698 404 HA ASP 58 HA ASP 58 19.502 7.625 -0.763 405 HB2 ASP 58 HB2 ASP 58 20.905 5.582 -0.199 406 HB3 ASP 58 HB3 ASP 58 21.747 6.895 -1.018 407 H ILE 59 H ILE 59 17.545 7.276 0.097 408 HA ILE 59 HA ILE 59 17.412 5.704 2.565 409 HB ILE 59 HB ILE 59 15.514 7.992 2.081 410 HG12 ILE 59 HG12 ILE 59 17.934 8.717 2.407 411 HG13 ILE 59 HG13 ILE 59 16.767 9.367 3.553 412 HG21 ILE 59 HG21 ILE 59 15.358 7.609 4.671 413 HG22 ILE 59 HG22 ILE 59 14.462 6.582 3.553 414 HG23 ILE 59 HG23 ILE 59 15.974 6.010 4.256 415 HD11 ILE 59 HD11 ILE 59 18.983 8.554 4.477 416 HD12 ILE 59 HD12 ILE 59 17.520 7.973 5.274 417 HD13 ILE 59 HD13 ILE 59 18.392 6.923 4.157 418 HA PRO 60 HA PRO 60 14.837 3.549 -0.456 419 HB2 PRO 60 HB2 PRO 60 14.822 1.204 0.913 420 HB3 PRO 60 HB3 PRO 60 16.167 1.705 -0.118 421 HG2 PRO 60 HG2 PRO 60 15.890 1.889 2.857 422 HG3 PRO 60 HG3 PRO 60 17.292 1.391 1.892 423 HD2 PRO 60 HD2 PRO 60 17.068 3.866 2.967 424 HD3 PRO 60 HD3 PRO 60 17.905 3.564 1.431 425 H LEU 61 H LEU 61 12.685 2.901 -0.460 426 HA LEU 61 HA LEU 61 10.915 4.118 1.259 427 HB2 LEU 61 HB2 LEU 61 10.778 2.083 -0.815 428 HB3 LEU 61 HB3 LEU 61 9.538 1.876 0.421 429 HG LEU 61 HG LEU 61 8.688 4.102 -0.011 430 HD11 LEU 61 HD11 LEU 61 10.744 5.245 -0.552 431 HD12 LEU 61 HD12 LEU 61 9.590 5.444 -1.871 432 HD13 LEU 61 HD13 LEU 61 10.919 4.295 -2.028 433 HD21 LEU 61 HD21 LEU 61 8.944 2.108 -2.178 434 HD22 LEU 61 HD22 LEU 61 8.339 3.701 -2.634 435 HD23 LEU 61 HD23 LEU 61 7.504 2.761 -1.397 436 H GLY 62 H GLY 62 12.686 1.192 1.722 437 HA2 GLY 62 HA2 GLY 62 10.983 0.089 3.750 438 HA3 GLY 62 HA3 GLY 62 12.617 -0.429 3.365 439 H ALA 63 H ALA 63 13.871 2.114 3.745 440 HA ALA 63 HA ALA 63 14.202 2.013 6.592 441 HB1 ALA 63 HB1 ALA 63 15.424 3.763 4.469 442 HB2 ALA 63 HB2 ALA 63 15.842 3.864 6.180 443 HB3 ALA 63 HB3 ALA 63 16.154 2.379 5.282 444 H LEU 64 H LEU 64 12.387 3.947 4.371 445 HA LEU 64 HA LEU 64 11.928 6.064 6.309 446 HB2 LEU 64 HB2 LEU 64 11.441 5.654 3.437 447 HB3 LEU 64 HB3 LEU 64 10.212 6.593 4.281 448 HG LEU 64 HG LEU 64 13.066 7.361 4.637 449 HD11 LEU 64 HD11 LEU 64 13.365 8.272 2.585 450 HD12 LEU 64 HD12 LEU 64 11.642 8.550 2.333 451 HD13 LEU 64 HD13 LEU 64 12.316 6.935 2.113 452 HD21 LEU 64 HD21 LEU 64 10.489 8.418 5.233 453 HD22 LEU 64 HD22 LEU 64 11.312 9.519 4.127 454 HD23 LEU 64 HD23 LEU 64 12.076 9.065 5.651 455 H ILE 65 H ILE 65 10.868 3.075 6.209 456 HA ILE 65 HA ILE 65 8.060 3.223 6.165 457 HB ILE 65 HB ILE 65 9.910 1.282 7.544 458 HG12 ILE 65 HG12 ILE 65 8.192 1.001 5.070 459 HG13 ILE 65 HG13 ILE 65 9.922 1.323 5.059 460 HG21 ILE 65 HG21 ILE 65 8.147 0.659 8.763 461 HG22 ILE 65 HG22 ILE 65 7.032 1.622 7.795 462 HG23 ILE 65 HG23 ILE 65 7.491 0.005 7.262 463 HD11 ILE 65 HD11 ILE 65 10.260 -0.827 6.257 464 HD12 ILE 65 HD12 ILE 65 8.538 -1.151 6.055 465 HD13 ILE 65 HD13 ILE 65 9.578 -0.995 4.639 466 H LYS 66 H LYS 66 6.956 4.596 7.411 467 HA LYS 66 HA LYS 66 7.773 4.984 10.199 468 HB2 LYS 66 HB2 LYS 66 5.736 6.509 8.565 469 HB3 LYS 66 HB3 LYS 66 6.290 6.926 10.181 470 HG2 LYS 66 HG2 LYS 66 8.208 7.838 9.435 471 HG3 LYS 66 HG3 LYS 66 8.395 6.654 8.139 472 HD2 LYS 66 HD2 LYS 66 6.324 8.839 8.076 473 HD3 LYS 66 HD3 LYS 66 7.949 9.037 7.415 474 HE2 LYS 66 HE2 LYS 66 7.329 8.025 5.539 475 HE3 LYS 66 HE3 LYS 66 6.865 6.587 6.448 476 HZ1 LYS 66 HZ1 LYS 66 5.170 8.913 5.747 477 HZ2 LYS 66 HZ2 LYS 66 4.710 7.763 6.898 478 HZ3 LYS 66 HZ3 LYS 66 4.958 7.298 5.290 479 H ARG 67 H ARG 67 5.835 2.958 8.536 480 HA ARG 67 HA ARG 67 3.584 3.012 10.388 481 HB2 ARG 67 HB2 ARG 67 3.378 2.644 7.859 482 HB3 ARG 67 HB3 ARG 67 4.014 1.033 8.159 483 HG2 ARG 67 HG2 ARG 67 1.776 1.768 9.890 484 HG3 ARG 67 HG3 ARG 67 1.379 1.713 8.172 485 HD2 ARG 67 HD2 ARG 67 1.680 -0.527 8.036 486 HD3 ARG 67 HD3 ARG 67 2.994 -0.528 9.212 487 HE ARG 67 HE ARG 67 0.568 0.055 10.514 488 HH11 ARG 67 HH11 ARG 67 2.237 -2.578 8.967 489 HH12 ARG 67 HH12 ARG 67 1.456 -3.802 9.913 490 HH21 ARG 67 HH21 ARG 67 -0.468 -1.546 11.766 491 HH22 ARG 67 HH22 ARG 67 -0.083 -3.213 11.504 492 H GLY 68 H GLY 68 6.606 1.853 10.539 493 HA2 GLY 68 HA2 GLY 68 5.773 -0.382 12.267 494 HA3 GLY 68 HA3 GLY 68 7.037 -0.630 11.071 Start of MODEL 6 1 H MET 1 H MET 1 0.134 -2.479 -5.865 2 HA MET 1 HA MET 1 2.380 -2.900 -6.117 3 HB2 MET 1 HB2 MET 1 1.770 -0.600 -7.954 4 HB3 MET 1 HB3 MET 1 3.369 -1.331 -7.916 5 HG2 MET 1 HG2 MET 1 2.588 -2.713 -9.470 6 HG3 MET 1 HG3 MET 1 1.742 -3.512 -8.147 7 HE1 MET 1 HE1 MET 1 1.585 -2.292 -11.446 8 HE2 MET 1 HE2 MET 1 0.552 -3.711 -11.277 9 HE3 MET 1 HE3 MET 1 -0.136 -2.178 -11.814 10 H ASP 2 H ASP 2 3.864 -2.630 -4.596 11 HA ASP 2 HA ASP 2 5.074 -0.025 -4.201 12 HB2 ASP 2 HB2 ASP 2 4.843 -0.306 -1.666 13 HB3 ASP 2 HB3 ASP 2 3.411 0.220 -2.547 14 H ILE 3 H ILE 3 6.252 -2.122 -5.404 15 HA ILE 3 HA ILE 3 7.991 -3.320 -3.352 16 HB ILE 3 HB ILE 3 7.968 -4.291 -6.177 17 HG12 ILE 3 HG12 ILE 3 5.934 -5.055 -4.071 18 HG13 ILE 3 HG13 ILE 3 5.597 -4.169 -5.554 19 HG21 ILE 3 HG21 ILE 3 9.060 -5.104 -3.652 20 HG22 ILE 3 HG22 ILE 3 8.039 -6.380 -4.311 21 HG23 ILE 3 HG23 ILE 3 9.378 -5.742 -5.264 22 HD11 ILE 3 HD11 ILE 3 5.241 -6.085 -6.587 23 HD12 ILE 3 HD12 ILE 3 6.914 -6.553 -6.284 24 HD13 ILE 3 HD13 ILE 3 5.657 -6.973 -5.121 25 H ASP 4 H ASP 4 10.276 -3.656 -4.025 26 HA ASP 4 HA ASP 4 11.253 -1.254 -5.401 27 HB2 ASP 4 HB2 ASP 4 11.962 -1.842 -3.007 28 HB3 ASP 4 HB3 ASP 4 12.916 -3.133 -3.732 29 H PHE 5 H PHE 5 10.700 -4.470 -5.991 30 HA PHE 5 HA PHE 5 13.033 -5.163 -7.466 31 HB2 PHE 5 HB2 PHE 5 11.488 -6.850 -6.536 32 HB3 PHE 5 HB3 PHE 5 10.240 -6.311 -7.654 33 HD1 PHE 5 HD1 PHE 5 9.868 -8.082 -9.090 34 HD2 PHE 5 HD2 PHE 5 13.867 -6.915 -8.217 35 HE1 PHE 5 HE1 PHE 5 10.696 -9.670 -10.778 36 HE2 PHE 5 HE2 PHE 5 14.701 -8.500 -9.904 37 HZ PHE 5 HZ PHE 5 13.115 -9.879 -11.188 38 H SER 6 H SER 6 10.502 -3.046 -8.100 39 HA SER 6 HA SER 6 11.411 -2.636 -10.807 40 HB2 SER 6 HB2 SER 6 9.801 -4.370 -11.261 41 HB3 SER 6 HB3 SER 6 8.591 -3.580 -10.250 42 HG SER 6 HG SER 6 8.494 -1.901 -11.744 43 H THR 7 H THR 7 11.878 -0.538 -10.432 44 HA THR 7 HA THR 7 9.691 1.316 -10.227 45 HB THR 7 HB THR 7 11.028 2.496 -8.257 46 HG1 THR 7 HG1 THR 7 11.681 -0.251 -8.082 47 HG21 THR 7 HG21 THR 7 8.625 1.174 -8.491 48 HG22 THR 7 HG22 THR 7 9.153 2.106 -7.089 49 HG23 THR 7 HG23 THR 7 9.390 0.359 -7.128 50 H CYS 8 H CYS 8 12.051 0.571 -11.934 51 HA CYS 8 HA CYS 8 13.084 3.299 -12.250 52 HB2 CYS 8 HB2 CYS 8 14.691 1.576 -11.084 53 HB3 CYS 8 HB3 CYS 8 14.920 0.981 -12.725 54 H ALA 9 H ALA 9 14.015 3.684 -14.410 55 HA ALA 9 HA ALA 9 12.283 2.702 -16.441 56 HB1 ALA 9 HB1 ALA 9 14.156 3.952 -17.875 57 HB2 ALA 9 HB2 ALA 9 12.903 4.814 -16.981 58 HB3 ALA 9 HB3 ALA 9 14.516 4.637 -16.290 59 H ARG 10 H ARG 10 15.074 1.436 -15.064 60 HA ARG 10 HA ARG 10 15.953 0.055 -17.475 61 HB2 ARG 10 HB2 ARG 10 17.046 -0.230 -14.674 62 HB3 ARG 10 HB3 ARG 10 17.822 -0.708 -16.178 63 HG2 ARG 10 HG2 ARG 10 17.193 2.127 -15.382 64 HG3 ARG 10 HG3 ARG 10 18.769 1.348 -15.228 65 HD2 ARG 10 HD2 ARG 10 17.969 0.907 -17.871 66 HD3 ARG 10 HD3 ARG 10 17.547 2.584 -17.526 67 HE ARG 10 HE ARG 10 20.101 2.295 -16.588 68 HH11 ARG 10 HH11 ARG 10 18.512 1.823 -19.649 69 HH12 ARG 10 HH12 ARG 10 19.920 2.201 -20.586 70 HH21 ARG 10 HH21 ARG 10 21.961 2.795 -17.810 71 HH22 ARG 10 HH22 ARG 10 21.881 2.753 -19.538 72 H MET 11 H MET 11 13.326 -0.459 -16.151 73 HA MET 11 HA MET 11 13.658 -3.216 -15.232 74 HB2 MET 11 HB2 MET 11 11.723 -1.098 -14.768 75 HB3 MET 11 HB3 MET 11 10.939 -2.610 -15.206 76 HG2 MET 11 HG2 MET 11 13.016 -2.420 -13.047 77 HG3 MET 11 HG3 MET 11 11.294 -2.197 -12.747 78 HE1 MET 11 HE1 MET 11 9.694 -3.678 -13.991 79 HE2 MET 11 HE2 MET 11 10.120 -5.216 -14.742 80 HE3 MET 11 HE3 MET 11 9.552 -5.177 -13.072 81 H ASP 12 H ASP 12 11.482 -4.515 -15.972 82 HA ASP 12 HA ASP 12 11.938 -5.114 -18.706 83 HB2 ASP 12 HB2 ASP 12 10.765 -6.419 -16.571 84 HB3 ASP 12 HB3 ASP 12 9.398 -6.085 -17.631 85 H VAL 13 H VAL 13 9.957 -2.826 -17.141 86 HA VAL 13 HA VAL 13 8.345 -2.459 -19.581 87 HB VAL 13 HB VAL 13 6.876 -1.041 -18.030 88 HG11 VAL 13 HG11 VAL 13 5.629 -2.992 -17.274 89 HG12 VAL 13 HG12 VAL 13 6.227 -3.232 -18.917 90 HG13 VAL 13 HG13 VAL 13 7.035 -4.017 -17.560 91 HG21 VAL 13 HG21 VAL 13 6.962 -1.667 -15.652 92 HG22 VAL 13 HG22 VAL 13 8.432 -2.592 -15.960 93 HG23 VAL 13 HG23 VAL 13 8.430 -0.841 -16.175 94 HA PRO 14 HA PRO 14 11.284 1.110 -19.468 95 HB2 PRO 14 HB2 PRO 14 11.692 1.141 -22.152 96 HB3 PRO 14 HB3 PRO 14 12.618 0.113 -21.052 97 HG2 PRO 14 HG2 PRO 14 10.273 -0.587 -22.776 98 HG3 PRO 14 HG3 PRO 14 11.767 -1.500 -22.494 99 HD2 PRO 14 HD2 PRO 14 9.439 -2.092 -21.242 100 HD3 PRO 14 HD3 PRO 14 11.023 -2.337 -20.479 101 H ILE 15 H ILE 15 8.229 0.435 -20.758 102 HA ILE 15 HA ILE 15 7.617 2.573 -22.383 103 HB ILE 15 HB ILE 15 5.816 1.331 -20.301 104 HG12 ILE 15 HG12 ILE 15 6.717 -0.342 -21.824 105 HG13 ILE 15 HG13 ILE 15 5.017 -0.063 -22.184 106 HG21 ILE 15 HG21 ILE 15 5.258 3.096 -22.667 107 HG22 ILE 15 HG22 ILE 15 4.024 2.069 -21.941 108 HG23 ILE 15 HG23 ILE 15 4.789 3.337 -20.984 109 HD11 ILE 15 HD11 ILE 15 5.797 1.507 -24.000 110 HD12 ILE 15 HD12 ILE 15 7.415 0.859 -23.730 111 HD13 ILE 15 HD13 ILE 15 6.113 -0.209 -24.254 112 H LEU 16 H LEU 16 8.062 4.645 -22.019 113 HA LEU 16 HA LEU 16 8.114 6.705 -21.058 114 HB2 LEU 16 HB2 LEU 16 5.807 5.375 -19.870 115 HB3 LEU 16 HB3 LEU 16 6.490 6.630 -18.838 116 HG LEU 16 HG LEU 16 6.253 7.693 -21.461 117 HD11 LEU 16 HD11 LEU 16 4.110 7.292 -22.149 118 HD12 LEU 16 HD12 LEU 16 3.554 6.849 -20.535 119 HD13 LEU 16 HD13 LEU 16 4.522 5.714 -21.476 120 HD21 LEU 16 HD21 LEU 16 4.469 8.290 -19.121 121 HD22 LEU 16 HD22 LEU 16 5.046 9.385 -20.378 122 HD23 LEU 16 HD23 LEU 16 6.163 8.780 -19.153 123 H LYS 17 H LYS 17 10.287 6.386 -20.412 124 HA LYS 17 HA LYS 17 11.145 5.162 -18.063 125 HB2 LYS 17 HB2 LYS 17 12.280 7.351 -19.775 126 HB3 LYS 17 HB3 LYS 17 13.084 6.886 -18.281 127 HG2 LYS 17 HG2 LYS 17 14.186 5.547 -19.751 128 HG3 LYS 17 HG3 LYS 17 12.857 4.471 -19.310 129 HD2 LYS 17 HD2 LYS 17 11.615 5.273 -21.304 130 HD3 LYS 17 HD3 LYS 17 13.032 6.222 -21.762 131 HE2 LYS 17 HE2 LYS 17 14.005 3.654 -21.290 132 HE3 LYS 17 HE3 LYS 17 12.486 3.410 -22.151 133 HZ1 LYS 17 HZ1 LYS 17 13.837 3.701 -23.919 134 HZ2 LYS 17 HZ2 LYS 17 14.965 4.631 -23.069 135 HZ3 LYS 17 HZ3 LYS 17 13.530 5.338 -23.620 136 H LYS 18 H LYS 18 10.005 8.449 -18.636 137 HA LYS 18 HA LYS 18 10.681 9.615 -16.205 138 HB2 LYS 18 HB2 LYS 18 9.386 10.464 -18.430 139 HB3 LYS 18 HB3 LYS 18 8.039 10.353 -17.305 140 HG2 LYS 18 HG2 LYS 18 9.016 11.917 -15.830 141 HG3 LYS 18 HG3 LYS 18 10.569 11.841 -16.666 142 HD2 LYS 18 HD2 LYS 18 9.653 12.934 -18.594 143 HD3 LYS 18 HD3 LYS 18 8.020 12.843 -17.930 144 HE2 LYS 18 HE2 LYS 18 8.320 14.656 -16.642 145 HE3 LYS 18 HE3 LYS 18 9.949 14.169 -16.174 146 HZ1 LYS 18 HZ1 LYS 18 10.808 15.567 -17.642 147 HZ2 LYS 18 HZ2 LYS 18 9.256 16.173 -17.933 148 HZ3 LYS 18 HZ3 LYS 18 9.875 14.933 -18.903 149 H ALA 19 H ALA 19 7.957 7.554 -17.050 150 HA ALA 19 HA ALA 19 6.443 7.913 -14.708 151 HB1 ALA 19 HB1 ALA 19 5.577 6.868 -16.762 152 HB2 ALA 19 HB2 ALA 19 6.587 5.457 -16.450 153 HB3 ALA 19 HB3 ALA 19 5.292 5.878 -15.331 154 H ALA 20 H ALA 20 8.993 5.593 -15.524 155 HA ALA 20 HA ALA 20 8.845 4.024 -13.208 156 HB1 ALA 20 HB1 ALA 20 10.298 3.904 -15.480 157 HB2 ALA 20 HB2 ALA 20 11.533 4.431 -14.335 158 HB3 ALA 20 HB3 ALA 20 10.635 2.942 -14.041 159 H GLN 21 H GLN 21 10.807 6.899 -13.921 160 HA GLN 21 HA GLN 21 12.201 6.971 -11.484 161 HB2 GLN 21 HB2 GLN 21 11.778 8.757 -13.761 162 HB3 GLN 21 HB3 GLN 21 11.992 9.616 -12.241 163 HG2 GLN 21 HG2 GLN 21 14.128 8.709 -11.903 164 HG3 GLN 21 HG3 GLN 21 13.886 7.469 -13.132 165 HE21 GLN 21 HE21 GLN 21 14.889 10.670 -12.480 166 HE22 GLN 21 HE22 GLN 21 15.319 11.109 -14.095 167 H GLY 22 H GLY 22 9.011 8.072 -12.387 168 HA2 GLY 22 HA2 GLY 22 8.463 9.874 -10.343 169 HA3 GLY 22 HA3 GLY 22 7.263 8.853 -11.122 170 H LEU 23 H LEU 23 8.644 6.389 -10.234 171 HA LEU 23 HA LEU 23 7.287 6.100 -7.738 172 HB2 LEU 23 HB2 LEU 23 9.110 4.292 -9.305 173 HB3 LEU 23 HB3 LEU 23 8.391 3.823 -7.766 174 HG LEU 23 HG LEU 23 6.325 4.739 -9.515 175 HD11 LEU 23 HD11 LEU 23 8.180 4.014 -11.182 176 HD12 LEU 23 HD12 LEU 23 6.527 3.447 -11.415 177 HD13 LEU 23 HD13 LEU 23 7.731 2.381 -10.691 178 HD21 LEU 23 HD21 LEU 23 5.279 2.804 -8.840 179 HD22 LEU 23 HD22 LEU 23 6.429 3.050 -7.525 180 HD23 LEU 23 HD23 LEU 23 6.780 1.878 -8.797 181 H CYS 24 H CYS 24 10.047 7.654 -8.366 182 HA CYS 24 HA CYS 24 11.273 6.872 -5.801 183 HB2 CYS 24 HB2 CYS 24 12.432 6.937 -8.394 184 HB3 CYS 24 HB3 CYS 24 13.151 8.248 -7.465 185 H ILE 25 H ILE 25 10.985 9.579 -8.100 186 HA ILE 25 HA ILE 25 11.738 11.574 -6.241 187 HB ILE 25 HB ILE 25 10.098 11.855 -8.762 188 HG12 ILE 25 HG12 ILE 25 12.560 12.847 -9.338 189 HG13 ILE 25 HG13 ILE 25 12.987 11.560 -8.216 190 HG21 ILE 25 HG21 ILE 25 10.792 14.208 -8.701 191 HG22 ILE 25 HG22 ILE 25 9.820 13.771 -7.297 192 HG23 ILE 25 HG23 ILE 25 11.570 13.929 -7.143 193 HD11 ILE 25 HD11 ILE 25 12.646 10.004 -9.755 194 HD12 ILE 25 HD12 ILE 25 11.066 10.665 -10.176 195 HD13 ILE 25 HD13 ILE 25 12.522 11.314 -10.929 196 H THR 26 H THR 26 8.563 10.483 -7.405 197 HA THR 26 HA THR 26 7.122 12.267 -5.683 198 HB THR 26 HB THR 26 6.469 10.453 -7.825 199 HG1 THR 26 HG1 THR 26 5.951 12.840 -7.240 200 HG21 THR 26 HG21 THR 26 4.257 9.732 -6.974 201 HG22 THR 26 HG22 THR 26 4.718 10.300 -5.369 202 HG23 THR 26 HG23 THR 26 5.598 8.969 -6.120 203 H SER 27 H SER 27 8.059 8.872 -5.594 204 HA SER 27 HA SER 27 6.499 8.067 -3.411 205 HB2 SER 27 HB2 SER 27 8.033 6.702 -5.065 206 HB3 SER 27 HB3 SER 27 9.243 6.937 -3.805 207 HG SER 27 HG SER 27 7.269 6.169 -2.441 208 H CYS 28 H CYS 28 9.507 9.824 -3.588 209 HA CYS 28 HA CYS 28 10.224 9.510 -0.844 210 HB2 CYS 28 HB2 CYS 28 11.414 10.593 -3.151 211 HB3 CYS 28 HB3 CYS 28 11.279 11.929 -2.012 212 H SER 29 H SER 29 8.547 12.017 -2.696 213 HA SER 29 HA SER 29 8.314 13.952 -0.715 214 HB2 SER 29 HB2 SER 29 7.569 13.898 -3.262 215 HB3 SER 29 HB3 SER 29 6.004 13.499 -2.553 216 HG SER 29 HG SER 29 7.133 15.880 -2.762 217 H MET 30 H MET 30 6.517 10.994 -1.207 218 HA MET 30 HA MET 30 4.407 11.607 0.611 219 HB2 MET 30 HB2 MET 30 5.279 8.820 -0.101 220 HB3 MET 30 HB3 MET 30 3.662 9.402 0.271 221 HG2 MET 30 HG2 MET 30 4.345 10.873 -1.941 222 HG3 MET 30 HG3 MET 30 5.081 9.306 -2.264 223 HE1 MET 30 HE1 MET 30 2.900 7.405 -3.781 224 HE2 MET 30 HE2 MET 30 4.224 7.384 -2.616 225 HE3 MET 30 HE3 MET 30 2.630 6.788 -2.150 226 H GLN 31 H GLN 31 7.652 10.670 1.007 227 HA GLN 31 HA GLN 31 7.145 9.729 3.746 228 HB2 GLN 31 HB2 GLN 31 9.866 9.527 2.589 229 HB3 GLN 31 HB3 GLN 31 8.989 8.395 3.609 230 HG2 GLN 31 HG2 GLN 31 7.522 8.155 1.407 231 HG3 GLN 31 HG3 GLN 31 9.041 8.652 0.663 232 HE21 GLN 31 HE21 GLN 31 7.527 6.259 2.734 233 HE22 GLN 31 HE22 GLN 31 8.680 5.005 2.447 234 H ASN 32 H ASN 32 7.312 12.556 2.615 235 HA ASN 32 HA ASN 32 8.007 14.588 3.364 236 HB2 ASN 32 HB2 ASN 32 9.324 13.210 5.698 237 HB3 ASN 32 HB3 ASN 32 8.643 14.833 5.629 238 HD21 ASN 32 HD21 ASN 32 6.222 14.744 4.897 239 HD22 ASN 32 HD22 ASN 32 5.250 13.632 5.794 240 H CYS 33 H CYS 33 9.600 13.242 1.498 241 HA CYS 33 HA CYS 33 12.336 13.955 2.313 242 HB2 CYS 33 HB2 CYS 33 11.327 12.087 0.163 243 HB3 CYS 33 HB3 CYS 33 13.016 12.558 0.324 244 H GLY 34 H GLY 34 13.605 14.357 0.002 245 HA2 GLY 34 HA2 GLY 34 12.234 16.728 -1.088 246 HA3 GLY 34 HA3 GLY 34 13.977 16.510 -1.021 247 H THR 35 H THR 35 14.557 14.251 -2.184 248 HA THR 35 HA THR 35 13.049 13.984 -4.668 249 HB THR 35 HB THR 35 14.823 15.742 -5.028 250 HG1 THR 35 HG1 THR 35 14.186 14.797 -6.882 251 HG21 THR 35 HG21 THR 35 17.083 15.250 -4.958 252 HG22 THR 35 HG22 THR 35 16.815 13.512 -5.090 253 HG23 THR 35 HG23 THR 35 16.481 14.343 -3.571 254 H GLY 36 H GLY 36 14.396 12.290 -6.108 255 HA2 GLY 36 HA2 GLY 36 15.835 10.292 -4.664 256 HA3 GLY 36 HA3 GLY 36 14.159 9.822 -4.905 257 H SER 37 H SER 37 17.059 9.221 -6.064 258 HA SER 37 HA SER 37 16.142 9.050 -8.860 259 HB2 SER 37 HB2 SER 37 18.286 10.475 -8.065 260 HB3 SER 37 HB3 SER 37 19.052 8.904 -8.298 261 HG SER 37 HG SER 37 17.341 9.923 -10.277 262 H CYS 38 H CYS 38 16.494 7.144 -9.982 263 HA CYS 38 HA CYS 38 17.246 4.838 -8.309 264 HB2 CYS 38 HB2 CYS 38 15.736 3.487 -9.574 265 HB3 CYS 38 HB3 CYS 38 14.864 4.950 -9.130 266 H LYS 39 H LYS 39 18.675 3.331 -9.082 267 HA LYS 39 HA LYS 39 19.728 3.623 -11.787 268 HB2 LYS 39 HB2 LYS 39 21.599 3.574 -9.421 269 HB3 LYS 39 HB3 LYS 39 22.008 3.837 -11.111 270 HG2 LYS 39 HG2 LYS 39 20.890 5.978 -11.087 271 HG3 LYS 39 HG3 LYS 39 20.354 5.709 -9.427 272 HD2 LYS 39 HD2 LYS 39 22.515 5.928 -8.569 273 HD3 LYS 39 HD3 LYS 39 23.267 5.654 -10.142 274 HE2 LYS 39 HE2 LYS 39 21.760 7.876 -10.621 275 HE3 LYS 39 HE3 LYS 39 22.238 8.124 -8.942 276 HZ1 LYS 39 HZ1 LYS 39 24.010 7.743 -11.287 277 HZ2 LYS 39 HZ2 LYS 39 24.567 7.672 -9.691 278 HZ3 LYS 39 HZ3 LYS 39 23.893 9.104 -10.288 279 H LYS 40 H LYS 40 20.708 1.766 -12.601 280 HA LYS 40 HA LYS 40 19.795 -0.687 -11.520 281 HB2 LYS 40 HB2 LYS 40 21.318 0.193 -13.874 282 HB3 LYS 40 HB3 LYS 40 21.743 -1.415 -13.305 283 HG2 LYS 40 HG2 LYS 40 18.923 -0.545 -13.883 284 HG3 LYS 40 HG3 LYS 40 19.968 -1.346 -15.058 285 HD2 LYS 40 HD2 LYS 40 20.254 -3.139 -13.205 286 HD3 LYS 40 HD3 LYS 40 18.790 -2.425 -12.525 287 HE2 LYS 40 HE2 LYS 40 18.089 -4.226 -13.894 288 HE3 LYS 40 HE3 LYS 40 17.721 -2.749 -14.783 289 HZ1 LYS 40 HZ1 LYS 40 20.316 -3.978 -15.283 290 HZ2 LYS 40 HZ2 LYS 40 19.264 -3.199 -16.353 291 HZ3 LYS 40 HZ3 LYS 40 18.961 -4.795 -15.883 292 H ARG 41 H ARG 41 20.585 -1.594 -9.741 293 HA ARG 41 HA ARG 41 23.428 -1.272 -9.105 294 HB2 ARG 41 HB2 ARG 41 21.111 -2.224 -7.412 295 HB3 ARG 41 HB3 ARG 41 22.777 -2.124 -6.858 296 HG2 ARG 41 HG2 ARG 41 21.143 0.212 -7.825 297 HG3 ARG 41 HG3 ARG 41 21.397 -0.220 -6.132 298 HD2 ARG 41 HD2 ARG 41 23.583 0.455 -8.098 299 HD3 ARG 41 HD3 ARG 41 22.910 1.573 -6.912 300 HE ARG 41 HE ARG 41 24.850 -0.456 -6.437 301 HH11 ARG 41 HH11 ARG 41 22.179 1.245 -4.991 302 HH12 ARG 41 HH12 ARG 41 22.740 1.012 -3.368 303 HH21 ARG 41 HH21 ARG 41 25.599 -0.769 -4.305 304 HH22 ARG 41 HH22 ARG 41 24.686 -0.133 -2.980 305 H SER 42 H SER 42 24.622 -2.811 -10.045 306 HA SER 42 HA SER 42 25.433 -4.856 -10.625 307 HB2 SER 42 HB2 SER 42 24.584 -5.079 -7.995 308 HB3 SER 42 HB3 SER 42 23.836 -6.466 -8.787 309 HG SER 42 HG SER 42 26.102 -6.647 -7.921 310 H GLY 43 H GLY 43 22.989 -3.849 -11.883 311 HA2 GLY 43 HA2 GLY 43 21.795 -4.715 -13.696 312 HA3 GLY 43 HA3 GLY 43 22.190 -6.339 -13.151 313 H ARG 44 H ARG 44 20.981 -4.288 -10.715 314 HA ARG 44 HA ARG 44 18.309 -5.502 -10.994 315 HB2 ARG 44 HB2 ARG 44 19.880 -4.921 -8.478 316 HB3 ARG 44 HB3 ARG 44 18.191 -5.413 -8.496 317 HG2 ARG 44 HG2 ARG 44 20.414 -7.051 -9.687 318 HG3 ARG 44 HG3 ARG 44 19.827 -7.242 -8.034 319 HD2 ARG 44 HD2 ARG 44 17.498 -7.338 -9.396 320 HD3 ARG 44 HD3 ARG 44 18.594 -8.029 -10.592 321 HE ARG 44 HE ARG 44 18.817 -9.894 -9.272 322 HH11 ARG 44 HH11 ARG 44 17.282 -7.355 -7.451 323 HH12 ARG 44 HH12 ARG 44 16.874 -8.381 -6.116 324 HH21 ARG 44 HH21 ARG 44 18.285 -11.255 -7.520 325 HH22 ARG 44 HH22 ARG 44 17.445 -10.599 -6.156 326 HA PRO 45 HA PRO 45 16.833 -1.338 -11.140 327 HB2 PRO 45 HB2 PRO 45 14.202 -1.880 -10.752 328 HB3 PRO 45 HB3 PRO 45 15.031 -2.190 -12.282 329 HG2 PRO 45 HG2 PRO 45 14.363 -4.094 -10.070 330 HG3 PRO 45 HG3 PRO 45 14.218 -4.320 -11.823 331 HD2 PRO 45 HD2 PRO 45 16.282 -5.329 -10.390 332 HD3 PRO 45 HD3 PRO 45 16.459 -4.796 -12.074 333 H THR 46 H THR 46 17.885 -0.694 -9.159 334 HA THR 46 HA THR 46 16.239 -0.915 -6.738 335 HB THR 46 HB THR 46 19.118 -0.044 -7.050 336 HG1 THR 46 HG1 THR 46 19.225 -2.093 -5.654 337 HG21 THR 46 HG21 THR 46 17.238 -0.030 -4.744 338 HG22 THR 46 HG22 THR 46 18.546 1.084 -5.142 339 HG23 THR 46 HG23 THR 46 18.913 -0.493 -4.446 340 H CYS 47 H CYS 47 15.349 0.829 -5.764 341 HA CYS 47 HA CYS 47 15.621 3.400 -7.160 342 HB2 CYS 47 HB2 CYS 47 13.353 2.036 -6.564 343 HB3 CYS 47 HB3 CYS 47 13.484 3.069 -5.145 344 H VAL 48 H VAL 48 16.817 4.910 -6.229 345 HA VAL 48 HA VAL 48 17.237 4.789 -3.318 346 HB VAL 48 HB VAL 48 18.960 6.384 -5.186 347 HG11 VAL 48 HG11 VAL 48 20.578 5.428 -3.266 348 HG12 VAL 48 HG12 VAL 48 19.680 6.940 -3.116 349 HG13 VAL 48 HG13 VAL 48 19.052 5.463 -2.384 350 HG21 VAL 48 HG21 VAL 48 18.809 3.454 -4.936 351 HG22 VAL 48 HG22 VAL 48 19.430 4.451 -6.251 352 HG23 VAL 48 HG23 VAL 48 20.428 4.147 -4.829 353 H CYS 49 H CYS 49 17.092 6.664 -2.072 354 HA CYS 49 HA CYS 49 15.661 8.893 -3.365 355 HB2 CYS 49 HB2 CYS 49 15.065 7.334 -1.000 356 HB3 CYS 49 HB3 CYS 49 15.199 9.045 -0.606 357 H TYR 50 H TYR 50 15.922 11.008 -2.207 358 HA TYR 50 HA TYR 50 18.364 11.359 -0.697 359 HB2 TYR 50 HB2 TYR 50 18.053 12.570 -3.451 360 HB3 TYR 50 HB3 TYR 50 19.307 13.011 -2.298 361 HD1 TYR 50 HD1 TYR 50 18.159 10.498 -4.680 362 HD2 TYR 50 HD2 TYR 50 21.120 11.447 -1.775 363 HE1 TYR 50 HE1 TYR 50 19.581 8.688 -5.546 364 HE2 TYR 50 HE2 TYR 50 22.551 9.640 -2.634 365 HH TYR 50 HH TYR 50 22.657 7.867 -3.999 366 H ARG 51 H ARG 51 18.723 13.821 -0.340 367 HA ARG 51 HA ARG 51 17.927 15.667 0.734 368 HB2 ARG 51 HB2 ARG 51 15.846 15.518 -1.455 369 HB3 ARG 51 HB3 ARG 51 16.206 16.935 -0.477 370 HG2 ARG 51 HG2 ARG 51 18.662 16.332 -1.478 371 HG3 ARG 51 HG3 ARG 51 17.603 15.847 -2.804 372 HD2 ARG 51 HD2 ARG 51 17.010 17.968 -3.272 373 HD3 ARG 51 HD3 ARG 51 16.940 18.428 -1.571 374 HE ARG 51 HE ARG 51 19.620 18.088 -2.235 375 HH11 ARG 51 HH11 ARG 51 16.963 20.169 -3.088 376 HH12 ARG 51 HH12 ARG 51 17.974 21.527 -3.458 377 HH21 ARG 51 HH21 ARG 51 20.963 19.868 -2.719 378 HH22 ARG 51 HH22 ARG 51 20.249 21.354 -3.248 379 H CYS 52 H CYS 52 16.919 13.057 1.614 380 HA CYS 52 HA CYS 52 14.159 13.327 2.292 381 HB2 CYS 52 HB2 CYS 52 15.846 11.222 2.213 382 HB3 CYS 52 HB3 CYS 52 15.882 11.565 3.940 383 H ALA 53 H ALA 53 13.568 13.053 4.729 384 HA ALA 53 HA ALA 53 14.919 15.232 6.175 385 HB1 ALA 53 HB1 ALA 53 12.663 15.077 7.527 386 HB2 ALA 53 HB2 ALA 53 12.760 15.962 6.004 387 HB3 ALA 53 HB3 ALA 53 12.087 14.332 6.035 388 H ASN 54 H ASN 54 13.955 11.894 6.331 389 HA ASN 54 HA ASN 54 14.681 11.680 9.146 390 HB2 ASN 54 HB2 ASN 54 12.826 10.357 7.567 391 HB3 ASN 54 HB3 ASN 54 14.116 9.174 7.760 392 HD21 ASN 54 HD21 ASN 54 11.278 9.877 8.940 393 HD22 ASN 54 HD22 ASN 54 11.485 9.488 10.611 394 H GLY 55 H GLY 55 16.584 12.192 6.810 395 HA2 GLY 55 HA2 GLY 55 18.809 10.842 7.822 396 HA3 GLY 55 HA3 GLY 55 18.208 9.909 6.459 397 H GLY 56 H GLY 56 17.260 12.331 5.060 398 HA2 GLY 56 HA2 GLY 56 18.047 13.814 3.496 399 HA3 GLY 56 HA3 GLY 56 19.340 14.163 4.633 400 H GLY 57 H GLY 57 18.385 11.480 2.477 401 HA2 GLY 57 HA2 GLY 57 20.416 11.601 0.659 402 HA3 GLY 57 HA3 GLY 57 21.129 10.751 2.022 403 H ASP 58 H ASP 58 21.353 8.760 1.107 404 HA ASP 58 HA ASP 58 19.396 7.493 -0.488 405 HB2 ASP 58 HB2 ASP 58 20.731 5.397 0.067 406 HB3 ASP 58 HB3 ASP 58 21.623 6.710 -0.697 407 H ILE 59 H ILE 59 17.408 7.117 0.270 408 HA ILE 59 HA ILE 59 17.153 5.491 2.691 409 HB ILE 59 HB ILE 59 15.290 7.805 2.207 410 HG12 ILE 59 HG12 ILE 59 17.688 8.542 2.583 411 HG13 ILE 59 HG13 ILE 59 16.514 9.145 3.747 412 HG21 ILE 59 HG21 ILE 59 15.723 5.803 4.376 413 HG22 ILE 59 HG22 ILE 59 15.066 7.389 4.777 414 HG23 ILE 59 HG23 ILE 59 14.220 6.349 3.632 415 HD11 ILE 59 HD11 ILE 59 17.896 6.628 4.435 416 HD12 ILE 59 HD12 ILE 59 18.856 8.108 4.455 417 HD13 ILE 59 HD13 ILE 59 17.412 7.980 5.459 418 HA PRO 60 HA PRO 60 14.669 3.484 -0.512 419 HB2 PRO 60 HB2 PRO 60 14.616 1.078 0.743 420 HB3 PRO 60 HB3 PRO 60 15.987 1.623 -0.229 421 HG2 PRO 60 HG2 PRO 60 15.637 1.665 2.743 422 HG3 PRO 60 HG3 PRO 60 17.062 1.210 1.791 423 HD2 PRO 60 HD2 PRO 60 16.816 3.632 2.977 424 HD3 PRO 60 HD3 PRO 60 17.689 3.401 1.448 425 H LEU 61 H LEU 61 12.521 2.788 -0.588 426 HA LEU 61 HA LEU 61 10.701 3.948 1.122 427 HB2 LEU 61 HB2 LEU 61 10.324 1.450 -0.521 428 HB3 LEU 61 HB3 LEU 61 9.028 2.435 0.154 429 HG LEU 61 HG LEU 61 10.918 3.125 -2.084 430 HD11 LEU 61 HD11 LEU 61 8.436 3.738 -2.919 431 HD12 LEU 61 HD12 LEU 61 8.072 2.412 -1.815 432 HD13 LEU 61 HD13 LEU 61 9.188 2.160 -3.157 433 HD21 LEU 61 HD21 LEU 61 9.263 4.909 -0.347 434 HD22 LEU 61 HD22 LEU 61 9.510 5.308 -2.047 435 HD23 LEU 61 HD23 LEU 61 10.896 5.149 -0.968 436 H GLY 62 H GLY 62 12.472 1.011 1.530 437 HA2 GLY 62 HA2 GLY 62 10.733 -0.167 3.480 438 HA3 GLY 62 HA3 GLY 62 12.384 -0.653 3.127 439 H ALA 63 H ALA 63 13.550 1.940 3.612 440 HA ALA 63 HA ALA 63 13.804 1.742 6.472 441 HB1 ALA 63 HB1 ALA 63 15.776 2.149 5.135 442 HB2 ALA 63 HB2 ALA 63 15.074 3.639 4.501 443 HB3 ALA 63 HB3 ALA 63 15.493 3.519 6.210 444 H LEU 64 H LEU 64 12.055 3.717 4.235 445 HA LEU 64 HA LEU 64 11.492 5.756 6.240 446 HB2 LEU 64 HB2 LEU 64 11.196 5.505 3.319 447 HB3 LEU 64 HB3 LEU 64 9.939 6.430 4.137 448 HG LEU 64 HG LEU 64 12.781 7.104 4.709 449 HD11 LEU 64 HD11 LEU 64 13.226 8.126 2.733 450 HD12 LEU 64 HD12 LEU 64 11.526 8.433 2.379 451 HD13 LEU 64 HD13 LEU 64 12.202 6.824 2.127 452 HD21 LEU 64 HD21 LEU 64 11.771 8.786 5.742 453 HD22 LEU 64 HD22 LEU 64 10.199 8.193 5.204 454 HD23 LEU 64 HD23 LEU 64 11.105 9.328 4.201 455 H ILE 65 H ILE 65 10.425 2.780 5.852 456 HA ILE 65 HA ILE 65 7.659 2.871 5.572 457 HB ILE 65 HB ILE 65 9.384 1.008 7.198 458 HG12 ILE 65 HG12 ILE 65 7.968 0.662 4.546 459 HG13 ILE 65 HG13 ILE 65 9.690 0.967 4.746 460 HG21 ILE 65 HG21 ILE 65 7.227 0.935 8.212 461 HG22 ILE 65 HG22 ILE 65 6.428 0.879 6.641 462 HG23 ILE 65 HG23 ILE 65 7.384 -0.497 7.194 463 HD11 ILE 65 HD11 ILE 65 8.169 -1.470 5.631 464 HD12 ILE 65 HD12 ILE 65 9.349 -1.360 4.325 465 HD13 ILE 65 HD13 ILE 65 9.865 -1.160 6.000 466 H LYS 66 H LYS 66 6.236 4.017 6.688 467 HA LYS 66 HA LYS 66 6.818 4.807 9.432 468 HB2 LYS 66 HB2 LYS 66 4.479 5.578 7.679 469 HB3 LYS 66 HB3 LYS 66 4.930 6.322 9.207 470 HG2 LYS 66 HG2 LYS 66 6.719 7.438 8.294 471 HG3 LYS 66 HG3 LYS 66 6.896 6.287 6.967 472 HD2 LYS 66 HD2 LYS 66 4.476 8.049 7.208 473 HD3 LYS 66 HD3 LYS 66 5.954 8.612 6.425 474 HE2 LYS 66 HE2 LYS 66 5.362 7.575 4.555 475 HE3 LYS 66 HE3 LYS 66 5.352 6.032 5.408 476 HZ1 LYS 66 HZ1 LYS 66 3.049 6.558 6.110 477 HZ2 LYS 66 HZ2 LYS 66 3.219 6.371 4.438 478 HZ3 LYS 66 HZ3 LYS 66 3.082 7.919 5.106 479 H ARG 67 H ARG 67 5.562 2.153 8.089 480 HA ARG 67 HA ARG 67 4.279 0.439 8.856 481 HB2 ARG 67 HB2 ARG 67 5.027 1.922 11.243 482 HB3 ARG 67 HB3 ARG 67 3.470 1.126 11.427 483 HG2 ARG 67 HG2 ARG 67 5.399 -0.226 12.199 484 HG3 ARG 67 HG3 ARG 67 4.430 -1.010 10.950 485 HD2 ARG 67 HD2 ARG 67 6.055 -0.356 9.259 486 HD3 ARG 67 HD3 ARG 67 7.009 0.481 10.482 487 HE ARG 67 HE ARG 67 6.577 -2.299 11.062 488 HH11 ARG 67 HH11 ARG 67 8.581 -0.006 9.375 489 HH12 ARG 67 HH12 ARG 67 9.968 -1.044 9.345 490 HH21 ARG 67 HH21 ARG 67 8.396 -3.674 11.029 491 HH22 ARG 67 HH22 ARG 67 9.862 -3.130 10.285 492 H GLY 68 H GLY 68 3.155 3.095 7.815 493 HA2 GLY 68 HA2 GLY 68 0.358 2.460 8.485 494 HA3 GLY 68 HA3 GLY 68 0.916 4.125 8.556 Start of MODEL 7 1 H MET 1 H MET 1 2.794 0.189 -1.661 2 HA MET 1 HA MET 1 3.859 0.303 0.953 3 HB2 MET 1 HB2 MET 1 0.874 0.107 0.682 4 HB3 MET 1 HB3 MET 1 1.704 -0.643 2.039 5 HG2 MET 1 HG2 MET 1 1.829 1.289 3.101 6 HG3 MET 1 HG3 MET 1 2.612 2.051 1.719 7 HE1 MET 1 HE1 MET 1 1.232 4.524 1.095 8 HE2 MET 1 HE2 MET 1 0.068 4.718 2.406 9 HE3 MET 1 HE3 MET 1 1.675 4.073 2.742 10 H ASP 2 H ASP 2 4.727 -1.168 -1.049 11 HA ASP 2 HA ASP 2 4.668 -3.800 -0.093 12 HB2 ASP 2 HB2 ASP 2 2.435 -3.196 -1.707 13 HB3 ASP 2 HB3 ASP 2 3.511 -4.173 -2.703 14 H ILE 3 H ILE 3 5.712 -5.351 -1.721 15 HA ILE 3 HA ILE 3 8.025 -4.017 -2.803 16 HB ILE 3 HB ILE 3 7.460 -6.933 -3.199 17 HG12 ILE 3 HG12 ILE 3 8.878 -6.863 -0.858 18 HG13 ILE 3 HG13 ILE 3 7.777 -5.506 -0.645 19 HG21 ILE 3 HG21 ILE 3 10.042 -6.740 -2.499 20 HG22 ILE 3 HG22 ILE 3 9.473 -6.576 -4.160 21 HG23 ILE 3 HG23 ILE 3 9.801 -5.137 -3.195 22 HD11 ILE 3 HD11 ILE 3 7.272 -8.281 -0.337 23 HD12 ILE 3 HD12 ILE 3 6.187 -6.918 -0.058 24 HD13 ILE 3 HD13 ILE 3 6.268 -7.669 -1.652 25 H ASP 4 H ASP 4 8.841 -4.551 -4.995 26 HA ASP 4 HA ASP 4 6.905 -5.304 -6.998 27 HB2 ASP 4 HB2 ASP 4 7.694 -2.467 -6.549 28 HB3 ASP 4 HB3 ASP 4 7.558 -3.021 -8.215 29 H PHE 5 H PHE 5 7.886 -6.245 -8.685 30 HA PHE 5 HA PHE 5 10.717 -6.594 -8.644 31 HB2 PHE 5 HB2 PHE 5 9.326 -8.418 -9.387 32 HB3 PHE 5 HB3 PHE 5 8.615 -7.421 -10.652 33 HD1 PHE 5 HD1 PHE 5 9.203 -8.416 -12.652 34 HD2 PHE 5 HD2 PHE 5 12.172 -7.858 -9.653 35 HE1 PHE 5 HE1 PHE 5 10.932 -9.181 -14.227 36 HE2 PHE 5 HE2 PHE 5 13.906 -8.622 -11.223 37 HZ PHE 5 HZ PHE 5 13.287 -9.284 -13.513 38 H SER 6 H SER 6 8.564 -4.410 -10.219 39 HA SER 6 HA SER 6 10.818 -3.344 -11.790 40 HB2 SER 6 HB2 SER 6 9.166 -4.321 -13.295 41 HB3 SER 6 HB3 SER 6 7.883 -3.378 -12.537 42 HG SER 6 HG SER 6 8.375 -2.052 -14.117 43 H THR 7 H THR 7 11.235 -1.204 -11.635 44 HA THR 7 HA THR 7 9.295 0.612 -10.475 45 HB THR 7 HB THR 7 11.600 1.222 -9.006 46 HG1 THR 7 HG1 THR 7 11.711 -0.897 -7.830 47 HG21 THR 7 HG21 THR 7 8.991 -0.089 -8.251 48 HG22 THR 7 HG22 THR 7 9.405 1.624 -8.166 49 HG23 THR 7 HG23 THR 7 10.172 0.476 -7.069 50 H CYS 8 H CYS 8 12.757 0.297 -11.276 51 HA CYS 8 HA CYS 8 12.852 3.029 -12.227 52 HB2 CYS 8 HB2 CYS 8 14.730 1.741 -10.999 53 HB3 CYS 8 HB3 CYS 8 15.048 1.001 -12.565 54 H ALA 9 H ALA 9 13.562 3.599 -14.377 55 HA ALA 9 HA ALA 9 12.142 2.180 -16.396 56 HB1 ALA 9 HB1 ALA 9 12.543 3.975 -17.741 57 HB2 ALA 9 HB2 ALA 9 12.810 4.730 -16.169 58 HB3 ALA 9 HB3 ALA 9 14.185 4.203 -17.139 59 H ARG 10 H ARG 10 15.211 1.774 -15.051 60 HA ARG 10 HA ARG 10 16.378 0.619 -17.461 61 HB2 ARG 10 HB2 ARG 10 17.594 0.761 -14.701 62 HB3 ARG 10 HB3 ARG 10 18.426 0.469 -16.222 63 HG2 ARG 10 HG2 ARG 10 17.060 3.034 -15.435 64 HG3 ARG 10 HG3 ARG 10 18.799 2.735 -15.405 65 HD2 ARG 10 HD2 ARG 10 17.855 2.021 -17.975 66 HD3 ARG 10 HD3 ARG 10 17.162 3.593 -17.577 67 HE ARG 10 HE ARG 10 19.891 3.626 -16.943 68 HH11 ARG 10 HH11 ARG 10 17.800 3.481 -19.722 69 HH12 ARG 10 HH12 ARG 10 18.931 4.263 -20.777 70 HH21 ARG 10 HH21 ARG 10 21.389 4.656 -18.321 71 HH22 ARG 10 HH22 ARG 10 20.972 4.930 -19.979 72 H MET 11 H MET 11 14.050 -0.572 -16.020 73 HA MET 11 HA MET 11 14.985 -2.944 -14.726 74 HB2 MET 11 HB2 MET 11 12.677 -1.702 -14.549 75 HB3 MET 11 HB3 MET 11 12.245 -2.727 -15.911 76 HG2 MET 11 HG2 MET 11 13.385 -3.848 -13.375 77 HG3 MET 11 HG3 MET 11 11.660 -3.555 -13.584 78 HE1 MET 11 HE1 MET 11 10.740 -5.628 -16.604 79 HE2 MET 11 HE2 MET 11 10.074 -5.761 -14.976 80 HE3 MET 11 HE3 MET 11 10.477 -4.176 -15.638 81 H ASP 12 H ASP 12 13.067 -2.604 -17.716 82 HA ASP 12 HA ASP 12 14.821 -4.344 -19.179 83 HB2 ASP 12 HB2 ASP 12 13.038 -5.691 -17.648 84 HB3 ASP 12 HB3 ASP 12 12.084 -5.463 -19.112 85 H VAL 13 H VAL 13 11.675 -2.757 -18.971 86 HA VAL 13 HA VAL 13 11.776 -2.293 -21.879 87 HB VAL 13 HB VAL 13 9.305 -1.755 -21.614 88 HG11 VAL 13 HG11 VAL 13 8.877 -3.830 -22.340 89 HG12 VAL 13 HG12 VAL 13 10.609 -4.101 -22.140 90 HG13 VAL 13 HG13 VAL 13 9.488 -4.574 -20.863 91 HG21 VAL 13 HG21 VAL 13 9.199 -3.448 -19.205 92 HG22 VAL 13 HG22 VAL 13 9.799 -1.807 -18.962 93 HG23 VAL 13 HG23 VAL 13 8.204 -2.067 -19.668 94 HA PRO 14 HA PRO 14 12.590 1.814 -19.911 95 HB2 PRO 14 HB2 PRO 14 14.448 2.570 -21.740 96 HB3 PRO 14 HB3 PRO 14 14.843 1.608 -20.311 97 HG2 PRO 14 HG2 PRO 14 14.393 0.712 -23.132 98 HG3 PRO 14 HG3 PRO 14 15.641 0.199 -21.980 99 HD2 PRO 14 HD2 PRO 14 13.422 -1.272 -22.476 100 HD3 PRO 14 HD3 PRO 14 14.216 -1.247 -20.888 101 H ILE 15 H ILE 15 10.325 2.063 -20.761 102 HA ILE 15 HA ILE 15 10.325 3.563 -23.299 103 HB ILE 15 HB ILE 15 7.991 2.115 -22.044 104 HG12 ILE 15 HG12 ILE 15 9.626 1.380 -24.483 105 HG13 ILE 15 HG13 ILE 15 9.737 0.584 -22.917 106 HG21 ILE 15 HG21 ILE 15 7.358 4.084 -23.350 107 HG22 ILE 15 HG22 ILE 15 8.261 3.460 -24.729 108 HG23 ILE 15 HG23 ILE 15 6.843 2.593 -24.139 109 HD11 ILE 15 HD11 ILE 15 7.039 0.497 -23.558 110 HD12 ILE 15 HD12 ILE 15 7.879 0.155 -25.071 111 HD13 ILE 15 HD13 ILE 15 8.198 -0.828 -23.643 112 H LEU 16 H LEU 16 8.456 3.312 -20.267 113 HA LEU 16 HA LEU 16 7.923 6.187 -20.414 114 HB2 LEU 16 HB2 LEU 16 6.753 4.085 -18.598 115 HB3 LEU 16 HB3 LEU 16 6.255 5.773 -18.676 116 HG LEU 16 HG LEU 16 5.969 3.774 -20.919 117 HD11 LEU 16 HD11 LEU 16 3.847 3.340 -20.260 118 HD12 LEU 16 HD12 LEU 16 3.625 4.933 -19.537 119 HD13 LEU 16 HD13 LEU 16 4.531 3.692 -18.672 120 HD21 LEU 16 HD21 LEU 16 5.471 5.486 -22.239 121 HD22 LEU 16 HD22 LEU 16 5.987 6.579 -20.955 122 HD23 LEU 16 HD23 LEU 16 4.294 6.097 -21.077 123 H LYS 17 H LYS 17 10.263 6.489 -19.863 124 HA LYS 17 HA LYS 17 11.390 5.783 -17.418 125 HB2 LYS 17 HB2 LYS 17 11.852 8.161 -19.214 126 HB3 LYS 17 HB3 LYS 17 12.810 7.871 -17.768 127 HG2 LYS 17 HG2 LYS 17 14.164 6.782 -19.178 128 HG3 LYS 17 HG3 LYS 17 13.005 5.465 -18.983 129 HD2 LYS 17 HD2 LYS 17 11.826 6.179 -20.986 130 HD3 LYS 17 HD3 LYS 17 12.922 7.552 -21.164 131 HE2 LYS 17 HE2 LYS 17 14.563 5.295 -20.957 132 HE3 LYS 17 HE3 LYS 17 13.243 4.822 -22.026 133 HZ1 LYS 17 HZ1 LYS 17 15.464 6.381 -22.642 134 HZ2 LYS 17 HZ2 LYS 17 14.119 7.403 -22.720 135 HZ3 LYS 17 HZ3 LYS 17 14.161 5.989 -23.648 136 H LYS 18 H LYS 18 9.385 8.562 -18.281 137 HA LYS 18 HA LYS 18 9.608 10.018 -15.916 138 HB2 LYS 18 HB2 LYS 18 8.249 10.339 -18.255 139 HB3 LYS 18 HB3 LYS 18 6.929 9.990 -17.146 140 HG2 LYS 18 HG2 LYS 18 7.145 12.330 -17.187 141 HG3 LYS 18 HG3 LYS 18 7.861 11.807 -15.661 142 HD2 LYS 18 HD2 LYS 18 10.020 11.738 -17.309 143 HD3 LYS 18 HD3 LYS 18 9.106 13.081 -18.000 144 HE2 LYS 18 HE2 LYS 18 10.203 14.275 -16.430 145 HE3 LYS 18 HE3 LYS 18 8.915 13.681 -15.383 146 HZ1 LYS 18 HZ1 LYS 18 10.297 12.213 -14.356 147 HZ2 LYS 18 HZ2 LYS 18 11.423 13.418 -14.731 148 HZ3 LYS 18 HZ3 LYS 18 11.315 12.033 -15.695 149 H ALA 19 H ALA 19 7.452 7.347 -16.754 150 HA ALA 19 HA ALA 19 5.963 7.448 -14.323 151 HB1 ALA 19 HB1 ALA 19 5.378 6.360 -16.629 152 HB2 ALA 19 HB2 ALA 19 6.180 4.949 -15.937 153 HB3 ALA 19 HB3 ALA 19 4.778 5.651 -15.129 154 H ALA 20 H ALA 20 8.628 5.412 -15.493 155 HA ALA 20 HA ALA 20 8.822 3.735 -13.259 156 HB1 ALA 20 HB1 ALA 20 10.721 2.903 -14.216 157 HB2 ALA 20 HB2 ALA 20 10.000 3.692 -15.619 158 HB3 ALA 20 HB3 ALA 20 11.294 4.491 -14.727 159 H GLN 21 H GLN 21 10.495 6.783 -13.998 160 HA GLN 21 HA GLN 21 12.024 6.827 -11.610 161 HB2 GLN 21 HB2 GLN 21 11.552 8.590 -13.890 162 HB3 GLN 21 HB3 GLN 21 11.771 9.469 -12.383 163 HG2 GLN 21 HG2 GLN 21 13.922 8.593 -12.056 164 HG3 GLN 21 HG3 GLN 21 13.683 7.338 -13.271 165 HE21 GLN 21 HE21 GLN 21 14.972 10.350 -12.650 166 HE22 GLN 21 HE22 GLN 21 15.256 10.860 -14.277 167 H GLY 22 H GLY 22 8.805 7.890 -12.436 168 HA2 GLY 22 HA2 GLY 22 8.289 9.709 -10.400 169 HA3 GLY 22 HA3 GLY 22 7.082 8.662 -11.130 170 H LEU 23 H LEU 23 8.523 6.229 -10.250 171 HA LEU 23 HA LEU 23 7.239 5.950 -7.717 172 HB2 LEU 23 HB2 LEU 23 9.228 4.066 -8.961 173 HB3 LEU 23 HB3 LEU 23 7.996 3.688 -7.759 174 HG LEU 23 HG LEU 23 7.606 4.290 -10.683 175 HD11 LEU 23 HD11 LEU 23 6.236 2.034 -10.133 176 HD12 LEU 23 HD12 LEU 23 7.553 1.899 -8.968 177 HD13 LEU 23 HD13 LEU 23 7.910 2.060 -10.687 178 HD21 LEU 23 HD21 LEU 23 5.752 4.588 -8.415 179 HD22 LEU 23 HD22 LEU 23 5.133 3.676 -9.793 180 HD23 LEU 23 HD23 LEU 23 5.720 5.325 -10.017 181 H CYS 24 H CYS 24 9.951 7.549 -8.433 182 HA CYS 24 HA CYS 24 11.248 6.837 -5.883 183 HB2 CYS 24 HB2 CYS 24 12.352 6.827 -8.489 184 HB3 CYS 24 HB3 CYS 24 13.056 8.203 -7.645 185 H ILE 25 H ILE 25 10.872 9.486 -8.236 186 HA ILE 25 HA ILE 25 11.636 11.532 -6.436 187 HB ILE 25 HB ILE 25 9.951 11.733 -8.935 188 HG12 ILE 25 HG12 ILE 25 12.378 12.746 -9.587 189 HG13 ILE 25 HG13 ILE 25 12.858 11.515 -8.423 190 HG21 ILE 25 HG21 ILE 25 9.620 13.693 -7.608 191 HG22 ILE 25 HG22 ILE 25 11.349 13.839 -7.298 192 HG23 ILE 25 HG23 ILE 25 10.719 14.108 -8.923 193 HD11 ILE 25 HD11 ILE 25 10.923 10.520 -10.336 194 HD12 ILE 25 HD12 ILE 25 12.385 11.137 -11.106 195 HD13 ILE 25 HD13 ILE 25 12.500 9.878 -9.876 196 H THR 26 H THR 26 8.455 10.374 -7.518 197 HA THR 26 HA THR 26 7.015 12.182 -5.827 198 HB THR 26 HB THR 26 6.358 10.288 -7.892 199 HG1 THR 26 HG1 THR 26 5.804 12.661 -7.445 200 HG21 THR 26 HG21 THR 26 5.565 8.831 -6.126 201 HG22 THR 26 HG22 THR 26 4.186 9.532 -6.973 202 HG23 THR 26 HG23 THR 26 4.664 10.159 -5.396 203 H SER 27 H SER 27 8.025 8.813 -5.631 204 HA SER 27 HA SER 27 6.522 8.050 -3.396 205 HB2 SER 27 HB2 SER 27 8.090 6.677 -5.024 206 HB3 SER 27 HB3 SER 27 9.289 6.977 -3.767 207 HG SER 27 HG SER 27 7.578 5.069 -3.756 208 H CYS 28 H CYS 28 9.499 9.857 -3.678 209 HA CYS 28 HA CYS 28 10.228 9.678 -0.923 210 HB2 CYS 28 HB2 CYS 28 11.398 10.668 -3.288 211 HB3 CYS 28 HB3 CYS 28 11.268 12.044 -2.197 212 H SER 29 H SER 29 8.556 12.100 -2.895 213 HA SER 29 HA SER 29 8.301 14.111 -0.993 214 HB2 SER 29 HB2 SER 29 7.589 13.960 -3.545 215 HB3 SER 29 HB3 SER 29 6.015 13.586 -2.844 216 HG SER 29 HG SER 29 7.416 15.765 -1.808 217 H MET 30 H MET 30 6.517 11.132 -1.387 218 HA MET 30 HA MET 30 4.380 11.815 0.377 219 HB2 MET 30 HB2 MET 30 5.262 9.003 -0.214 220 HB3 MET 30 HB3 MET 30 3.640 9.599 0.112 221 HG2 MET 30 HG2 MET 30 4.352 10.982 -2.147 222 HG3 MET 30 HG3 MET 30 5.095 9.403 -2.397 223 HE1 MET 30 HE1 MET 30 2.843 7.484 -3.928 224 HE2 MET 30 HE2 MET 30 4.273 7.545 -2.897 225 HE3 MET 30 HE3 MET 30 2.761 6.885 -2.271 226 H GLN 31 H GLN 31 7.622 10.910 0.852 227 HA GLN 31 HA GLN 31 7.079 10.080 3.621 228 HB2 GLN 31 HB2 GLN 31 9.808 9.812 2.492 229 HB3 GLN 31 HB3 GLN 31 8.924 8.738 3.568 230 HG2 GLN 31 HG2 GLN 31 7.470 8.463 1.319 231 HG3 GLN 31 HG3 GLN 31 9.060 8.790 0.632 232 HE21 GLN 31 HE21 GLN 31 7.283 6.689 2.818 233 HE22 GLN 31 HE22 GLN 31 8.338 5.330 2.668 234 H ASN 32 H ASN 32 7.284 12.854 2.360 235 HA ASN 32 HA ASN 32 7.980 14.913 3.032 236 HB2 ASN 32 HB2 ASN 32 9.281 13.647 5.435 237 HB3 ASN 32 HB3 ASN 32 8.576 15.255 5.289 238 HD21 ASN 32 HD21 ASN 32 6.169 15.139 4.599 239 HD22 ASN 32 HD22 ASN 32 5.204 14.037 5.515 240 H CYS 33 H CYS 33 9.580 13.484 1.239 241 HA CYS 33 HA CYS 33 12.317 14.191 2.052 242 HB2 CYS 33 HB2 CYS 33 11.302 12.298 -0.074 243 HB3 CYS 33 HB3 CYS 33 12.997 12.738 0.109 244 H GLY 34 H GLY 34 13.595 14.503 -0.282 245 HA2 GLY 34 HA2 GLY 34 12.276 16.881 -1.419 246 HA3 GLY 34 HA3 GLY 34 14.014 16.630 -1.346 247 H THR 35 H THR 35 14.552 14.339 -2.462 248 HA THR 35 HA THR 35 13.036 14.040 -4.936 249 HB THR 35 HB THR 35 14.833 15.766 -5.339 250 HG1 THR 35 HG1 THR 35 14.166 14.781 -7.166 251 HG21 THR 35 HG21 THR 35 16.804 13.521 -5.381 252 HG22 THR 35 HG22 THR 35 16.472 14.350 -3.859 253 HG23 THR 35 HG23 THR 35 17.081 15.257 -5.244 254 H GLY 36 H GLY 36 14.357 12.298 -6.343 255 HA2 GLY 36 HA2 GLY 36 15.786 10.317 -4.876 256 HA3 GLY 36 HA3 GLY 36 14.099 9.862 -5.065 257 H SER 37 H SER 37 16.957 9.178 -6.269 258 HA SER 37 HA SER 37 15.978 8.952 -9.041 259 HB2 SER 37 HB2 SER 37 18.177 10.347 -8.311 260 HB3 SER 37 HB3 SER 37 18.895 8.755 -8.557 261 HG SER 37 HG SER 37 18.068 10.546 -10.388 262 H CYS 38 H CYS 38 16.248 7.009 -10.109 263 HA CYS 38 HA CYS 38 17.026 4.737 -8.402 264 HB2 CYS 38 HB2 CYS 38 15.472 3.368 -9.676 265 HB3 CYS 38 HB3 CYS 38 14.634 4.775 -9.030 266 H LYS 39 H LYS 39 18.403 3.194 -9.188 267 HA LYS 39 HA LYS 39 19.324 3.378 -11.949 268 HB2 LYS 39 HB2 LYS 39 21.309 3.376 -9.678 269 HB3 LYS 39 HB3 LYS 39 21.636 3.582 -11.394 270 HG2 LYS 39 HG2 LYS 39 20.556 5.739 -11.383 271 HG3 LYS 39 HG3 LYS 39 20.088 5.528 -9.694 272 HD2 LYS 39 HD2 LYS 39 22.295 5.725 -8.940 273 HD3 LYS 39 HD3 LYS 39 22.965 5.419 -10.544 274 HE2 LYS 39 HE2 LYS 39 21.234 7.730 -10.559 275 HE3 LYS 39 HE3 LYS 39 22.503 7.898 -9.347 276 HZ1 LYS 39 HZ1 LYS 39 23.187 8.765 -11.502 277 HZ2 LYS 39 HZ2 LYS 39 22.942 7.250 -12.212 278 HZ3 LYS 39 HZ3 LYS 39 24.150 7.451 -11.045 279 H LYS 40 H LYS 40 20.217 1.477 -12.752 280 HA LYS 40 HA LYS 40 19.334 -0.922 -11.538 281 HB2 LYS 40 HB2 LYS 40 20.667 -0.132 -14.014 282 HB3 LYS 40 HB3 LYS 40 21.218 -1.690 -13.413 283 HG2 LYS 40 HG2 LYS 40 18.353 -0.929 -13.945 284 HG3 LYS 40 HG3 LYS 40 19.371 -1.927 -14.986 285 HD2 LYS 40 HD2 LYS 40 19.654 -3.462 -12.980 286 HD3 LYS 40 HD3 LYS 40 18.341 -2.553 -12.229 287 HE2 LYS 40 HE2 LYS 40 17.529 -4.587 -13.328 288 HE3 LYS 40 HE3 LYS 40 16.862 -3.132 -14.069 289 HZ1 LYS 40 HZ1 LYS 40 17.947 -5.116 -15.458 290 HZ2 LYS 40 HZ2 LYS 40 19.318 -4.148 -15.243 291 HZ3 LYS 40 HZ3 LYS 40 17.941 -3.511 -15.992 292 H ARG 41 H ARG 41 20.213 -1.847 -9.816 293 HA ARG 41 HA ARG 41 23.104 -1.567 -9.370 294 HB2 ARG 41 HB2 ARG 41 20.909 -2.328 -7.434 295 HB3 ARG 41 HB3 ARG 41 22.614 -2.179 -7.031 296 HG2 ARG 41 HG2 ARG 41 20.903 0.070 -8.068 297 HG3 ARG 41 HG3 ARG 41 21.264 -0.222 -6.365 298 HD2 ARG 41 HD2 ARG 41 23.330 0.266 -8.506 299 HD3 ARG 41 HD3 ARG 41 22.717 1.497 -7.403 300 HE ARG 41 HE ARG 41 24.635 -0.557 -6.813 301 HH11 ARG 41 HH11 ARG 41 22.230 1.575 -5.476 302 HH12 ARG 41 HH12 ARG 41 22.921 1.572 -3.887 303 HH21 ARG 41 HH21 ARG 41 25.556 -0.569 -4.726 304 HH22 ARG 41 HH22 ARG 41 24.814 0.353 -3.462 305 H SER 42 H SER 42 24.192 -3.231 -10.202 306 HA SER 42 HA SER 42 24.869 -5.350 -10.677 307 HB2 SER 42 HB2 SER 42 24.167 -5.365 -8.024 308 HB3 SER 42 HB3 SER 42 23.198 -6.692 -8.665 309 HG SER 42 HG SER 42 25.198 -7.494 -8.075 310 H GLY 43 H GLY 43 22.474 -4.284 -11.952 311 HA2 GLY 43 HA2 GLY 43 21.164 -5.174 -13.665 312 HA3 GLY 43 HA3 GLY 43 21.497 -6.786 -13.049 313 H ARG 44 H ARG 44 20.550 -4.814 -10.531 314 HA ARG 44 HA ARG 44 17.783 -5.804 -10.730 315 HB2 ARG 44 HB2 ARG 44 19.395 -5.169 -8.252 316 HB3 ARG 44 HB3 ARG 44 17.736 -5.752 -8.272 317 HG2 ARG 44 HG2 ARG 44 19.881 -7.342 -9.604 318 HG3 ARG 44 HG3 ARG 44 19.693 -7.404 -7.851 319 HD2 ARG 44 HD2 ARG 44 17.810 -8.619 -7.977 320 HD3 ARG 44 HD3 ARG 44 17.186 -7.683 -9.335 321 HE ARG 44 HE ARG 44 19.294 -9.297 -10.238 322 HH11 ARG 44 HH11 ARG 44 16.034 -9.576 -9.049 323 HH12 ARG 44 HH12 ARG 44 15.701 -11.033 -9.926 324 HH21 ARG 44 HH21 ARG 44 18.867 -11.214 -11.397 325 HH22 ARG 44 HH22 ARG 44 17.313 -11.964 -11.260 326 HA PRO 45 HA PRO 45 16.507 -1.577 -10.930 327 HB2 PRO 45 HB2 PRO 45 13.870 -1.976 -10.420 328 HB3 PRO 45 HB3 PRO 45 14.618 -2.366 -11.974 329 HG2 PRO 45 HG2 PRO 45 13.951 -4.176 -9.684 330 HG3 PRO 45 HG3 PRO 45 13.722 -4.440 -11.423 331 HD2 PRO 45 HD2 PRO 45 15.791 -5.515 -10.047 332 HD3 PRO 45 HD3 PRO 45 15.924 -5.035 -11.751 333 H THR 46 H THR 46 17.594 -0.794 -9.071 334 HA THR 46 HA THR 46 16.093 -0.940 -6.548 335 HB THR 46 HB THR 46 18.963 -0.123 -7.039 336 HG1 THR 46 HG1 THR 46 18.523 -2.396 -7.186 337 HG21 THR 46 HG21 THR 46 18.208 1.121 -5.165 338 HG22 THR 46 HG22 THR 46 19.076 -0.268 -4.511 339 HG23 THR 46 HG23 THR 46 17.313 -0.255 -4.522 340 H CYS 47 H CYS 47 15.124 0.811 -5.730 341 HA CYS 47 HA CYS 47 15.437 3.346 -7.170 342 HB2 CYS 47 HB2 CYS 47 13.159 2.603 -7.071 343 HB3 CYS 47 HB3 CYS 47 13.270 2.312 -5.338 344 H VAL 48 H VAL 48 16.677 4.860 -6.307 345 HA VAL 48 HA VAL 48 17.140 4.828 -3.400 346 HB VAL 48 HB VAL 48 18.840 6.355 -5.345 347 HG11 VAL 48 HG11 VAL 48 18.980 5.508 -2.520 348 HG12 VAL 48 HG12 VAL 48 20.490 5.453 -3.431 349 HG13 VAL 48 HG13 VAL 48 19.592 6.966 -3.301 350 HG21 VAL 48 HG21 VAL 48 20.297 4.118 -4.946 351 HG22 VAL 48 HG22 VAL 48 18.673 3.434 -5.008 352 HG23 VAL 48 HG23 VAL 48 19.280 4.389 -6.361 353 H CYS 49 H CYS 49 17.015 6.732 -2.205 354 HA CYS 49 HA CYS 49 15.595 8.942 -3.542 355 HB2 CYS 49 HB2 CYS 49 14.977 7.436 -1.157 356 HB3 CYS 49 HB3 CYS 49 15.160 9.144 -0.773 357 H TYR 50 H TYR 50 15.877 11.079 -2.422 358 HA TYR 50 HA TYR 50 18.331 11.440 -0.936 359 HB2 TYR 50 HB2 TYR 50 18.015 12.592 -3.715 360 HB3 TYR 50 HB3 TYR 50 19.276 13.054 -2.577 361 HD1 TYR 50 HD1 TYR 50 21.088 11.500 -2.029 362 HD2 TYR 50 HD2 TYR 50 18.106 10.487 -4.890 363 HE1 TYR 50 HE1 TYR 50 22.507 9.667 -2.850 364 HE2 TYR 50 HE2 TYR 50 19.516 8.650 -5.718 365 HH TYR 50 HH TYR 50 22.801 8.184 -4.546 366 H ARG 51 H ARG 51 18.712 13.899 -0.618 367 HA ARG 51 HA ARG 51 17.938 15.772 0.425 368 HB2 ARG 51 HB2 ARG 51 15.851 15.614 -1.759 369 HB3 ARG 51 HB3 ARG 51 16.239 17.042 -0.809 370 HG2 ARG 51 HG2 ARG 51 18.680 16.373 -1.809 371 HG3 ARG 51 HG3 ARG 51 17.605 15.890 -3.122 372 HD2 ARG 51 HD2 ARG 51 17.068 18.014 -3.628 373 HD3 ARG 51 HD3 ARG 51 16.989 18.499 -1.935 374 HE ARG 51 HE ARG 51 19.674 18.070 -2.707 375 HH11 ARG 51 HH11 ARG 51 17.043 20.317 -3.095 376 HH12 ARG 51 HH12 ARG 51 18.077 21.684 -3.350 377 HH21 ARG 51 HH21 ARG 51 21.045 19.862 -3.041 378 HH22 ARG 51 HH22 ARG 51 20.353 21.424 -3.320 379 H CYS 52 H CYS 52 16.897 13.188 1.345 380 HA CYS 52 HA CYS 52 14.141 13.507 2.019 381 HB2 CYS 52 HB2 CYS 52 15.794 11.376 1.965 382 HB3 CYS 52 HB3 CYS 52 15.837 11.739 3.687 383 H ALA 53 H ALA 53 13.547 13.273 4.460 384 HA ALA 53 HA ALA 53 14.935 15.447 5.878 385 HB1 ALA 53 HB1 ALA 53 12.658 15.305 7.232 386 HB2 ALA 53 HB2 ALA 53 12.802 16.229 5.737 387 HB3 ALA 53 HB3 ALA 53 12.092 14.616 5.711 388 H ASN 54 H ASN 54 13.896 12.131 6.085 389 HA ASN 54 HA ASN 54 14.634 11.941 8.898 390 HB2 ASN 54 HB2 ASN 54 12.602 10.778 7.824 391 HB3 ASN 54 HB3 ASN 54 13.771 9.646 7.149 392 HD21 ASN 54 HD21 ASN 54 12.659 11.060 10.185 393 HD22 ASN 54 HD22 ASN 54 13.009 9.680 11.162 394 H GLY 55 H GLY 55 16.536 12.376 6.547 395 HA2 GLY 55 HA2 GLY 55 18.729 10.972 7.567 396 HA3 GLY 55 HA3 GLY 55 18.103 10.056 6.204 397 H GLY 56 H GLY 56 17.220 12.500 4.804 398 HA2 GLY 56 HA2 GLY 56 18.046 13.955 3.233 399 HA3 GLY 56 HA3 GLY 56 19.338 14.285 4.378 400 H GLY 57 H GLY 57 18.349 11.607 2.230 401 HA2 GLY 57 HA2 GLY 57 20.383 11.676 0.418 402 HA3 GLY 57 HA3 GLY 57 21.088 10.838 1.792 403 H ASP 58 H ASP 58 21.291 8.832 0.910 404 HA ASP 58 HA ASP 58 19.321 7.563 -0.668 405 HB2 ASP 58 HB2 ASP 58 20.635 5.464 -0.101 406 HB3 ASP 58 HB3 ASP 58 21.550 6.765 -0.860 407 H ILE 59 H ILE 59 17.329 7.223 0.098 408 HA ILE 59 HA ILE 59 17.060 5.627 2.538 409 HB ILE 59 HB ILE 59 15.216 7.951 2.037 410 HG12 ILE 59 HG12 ILE 59 17.629 8.671 2.377 411 HG13 ILE 59 HG13 ILE 59 16.467 9.311 3.534 412 HG21 ILE 59 HG21 ILE 59 14.154 6.521 3.495 413 HG22 ILE 59 HG22 ILE 59 15.662 5.982 4.233 414 HG23 ILE 59 HG23 ILE 59 15.014 7.578 4.614 415 HD11 ILE 59 HD11 ILE 59 17.973 6.820 4.174 416 HD12 ILE 59 HD12 ILE 59 18.745 8.396 4.356 417 HD13 ILE 59 HD13 ILE 59 17.276 8.024 5.258 418 HA PRO 60 HA PRO 60 14.541 3.616 -0.634 419 HB2 PRO 60 HB2 PRO 60 14.453 1.227 0.653 420 HB3 PRO 60 HB3 PRO 60 15.832 1.739 -0.328 421 HG2 PRO 60 HG2 PRO 60 15.485 1.826 2.644 422 HG3 PRO 60 HG3 PRO 60 16.902 1.337 1.697 423 HD2 PRO 60 HD2 PRO 60 16.692 3.777 2.851 424 HD3 PRO 60 HD3 PRO 60 17.562 3.514 1.325 425 H LEU 61 H LEU 61 12.382 2.957 -0.702 426 HA LEU 61 HA LEU 61 10.584 4.164 0.999 427 HB2 LEU 61 HB2 LEU 61 10.393 1.901 -0.929 428 HB3 LEU 61 HB3 LEU 61 9.017 2.241 0.118 429 HG LEU 61 HG LEU 61 8.839 3.255 -2.138 430 HD11 LEU 61 HD11 LEU 61 7.461 4.386 -0.731 431 HD12 LEU 61 HD12 LEU 61 8.579 5.694 -1.119 432 HD13 LEU 61 HD13 LEU 61 8.758 4.800 0.390 433 HD21 LEU 61 HD21 LEU 61 10.224 5.191 -2.680 434 HD22 LEU 61 HD22 LEU 61 11.205 3.736 -2.500 435 HD23 LEU 61 HD23 LEU 61 11.164 4.938 -1.209 436 H GLY 62 H GLY 62 12.309 1.205 1.435 437 HA2 GLY 62 HA2 GLY 62 10.545 0.099 3.416 438 HA3 GLY 62 HA3 GLY 62 12.166 -0.460 3.032 439 H ALA 63 H ALA 63 13.432 2.106 3.467 440 HA ALA 63 HA ALA 63 13.757 1.910 6.320 441 HB1 ALA 63 HB1 ALA 63 15.507 3.599 6.019 442 HB2 ALA 63 HB2 ALA 63 15.695 2.255 4.892 443 HB3 ALA 63 HB3 ALA 63 15.028 3.788 4.332 444 H LEU 64 H LEU 64 11.982 3.904 4.133 445 HA LEU 64 HA LEU 64 11.557 5.990 6.124 446 HB2 LEU 64 HB2 LEU 64 11.171 5.708 3.226 447 HB3 LEU 64 HB3 LEU 64 9.918 6.630 4.054 448 HG LEU 64 HG LEU 64 12.762 7.344 4.567 449 HD11 LEU 64 HD11 LEU 64 11.475 8.655 2.254 450 HD12 LEU 64 HD12 LEU 64 12.105 7.029 1.993 451 HD13 LEU 64 HD13 LEU 64 13.176 8.308 2.565 452 HD21 LEU 64 HD21 LEU 64 10.177 8.410 5.092 453 HD22 LEU 64 HD22 LEU 64 11.051 9.541 4.058 454 HD23 LEU 64 HD23 LEU 64 11.751 9.028 5.594 455 H ILE 65 H ILE 65 10.405 3.038 5.853 456 HA ILE 65 HA ILE 65 7.612 3.263 5.727 457 HB ILE 65 HB ILE 65 9.339 1.241 7.153 458 HG12 ILE 65 HG12 ILE 65 7.833 1.147 4.529 459 HG13 ILE 65 HG13 ILE 65 9.579 1.283 4.713 460 HG21 ILE 65 HG21 ILE 65 6.364 1.226 6.675 461 HG22 ILE 65 HG22 ILE 65 7.301 -0.173 7.196 462 HG23 ILE 65 HG23 ILE 65 7.192 1.250 8.232 463 HD11 ILE 65 HD11 ILE 65 9.032 -0.973 4.160 464 HD12 ILE 65 HD12 ILE 65 9.567 -0.927 5.840 465 HD13 ILE 65 HD13 ILE 65 7.849 -1.058 5.465 466 H LYS 66 H LYS 66 6.169 4.084 7.088 467 HA LYS 66 HA LYS 66 7.041 4.747 9.817 468 HB2 LYS 66 HB2 LYS 66 4.711 5.885 8.264 469 HB3 LYS 66 HB3 LYS 66 5.301 6.442 9.824 470 HG2 LYS 66 HG2 LYS 66 7.161 7.451 8.914 471 HG3 LYS 66 HG3 LYS 66 7.133 6.438 7.469 472 HD2 LYS 66 HD2 LYS 66 4.960 8.426 8.073 473 HD3 LYS 66 HD3 LYS 66 6.427 8.875 7.200 474 HE2 LYS 66 HE2 LYS 66 5.584 8.058 5.315 475 HE3 LYS 66 HE3 LYS 66 5.373 6.478 6.068 476 HZ1 LYS 66 HZ1 LYS 66 3.268 7.226 5.287 477 HZ2 LYS 66 HZ2 LYS 66 3.435 8.724 6.056 478 HZ3 LYS 66 HZ3 LYS 66 3.240 7.318 6.976 479 H ARG 67 H ARG 67 5.516 2.335 8.334 480 HA ARG 67 HA ARG 67 4.122 0.674 9.023 481 HB2 ARG 67 HB2 ARG 67 5.072 1.899 11.474 482 HB3 ARG 67 HB3 ARG 67 3.441 1.268 11.666 483 HG2 ARG 67 HG2 ARG 67 5.225 -0.337 12.280 484 HG3 ARG 67 HG3 ARG 67 4.141 -0.924 11.017 485 HD2 ARG 67 HD2 ARG 67 5.819 -1.141 9.571 486 HD3 ARG 67 HD3 ARG 67 6.385 0.498 9.889 487 HE ARG 67 HE ARG 67 7.280 -0.843 12.038 488 HH11 ARG 67 HH11 ARG 67 7.480 -1.490 8.623 489 HH12 ARG 67 HH12 ARG 67 8.991 -2.329 8.738 490 HH21 ARG 67 HH21 ARG 67 9.269 -1.946 12.203 491 HH22 ARG 67 HH22 ARG 67 10.008 -2.589 10.775 492 H GLY 68 H GLY 68 3.194 3.484 8.211 493 HA2 GLY 68 HA2 GLY 68 0.375 3.041 8.950 494 HA3 GLY 68 HA3 GLY 68 1.077 4.649 9.056 Start of MODEL 8 1 H MET 1 H MET 1 -1.039 -1.581 -8.400 2 HA MET 1 HA MET 1 0.013 -1.474 -5.950 3 HB2 MET 1 HB2 MET 1 -2.223 -3.451 -5.965 4 HB3 MET 1 HB3 MET 1 -0.782 -3.826 -5.030 5 HG2 MET 1 HG2 MET 1 -1.520 -2.563 -3.380 6 HG3 MET 1 HG3 MET 1 -1.510 -1.158 -4.444 7 HE1 MET 1 HE1 MET 1 -3.272 -4.281 -3.387 8 HE2 MET 1 HE2 MET 1 -4.055 -3.247 -2.193 9 HE3 MET 1 HE3 MET 1 -4.999 -3.945 -3.510 10 H ASP 2 H ASP 2 2.009 -2.154 -6.322 11 HA ASP 2 HA ASP 2 2.423 -4.708 -7.699 12 HB2 ASP 2 HB2 ASP 2 2.818 -2.241 -8.951 13 HB3 ASP 2 HB3 ASP 2 4.432 -2.768 -8.481 14 H ILE 3 H ILE 3 4.987 -5.074 -7.711 15 HA ILE 3 HA ILE 3 5.705 -5.175 -4.923 16 HB ILE 3 HB ILE 3 7.557 -5.976 -7.138 17 HG12 ILE 3 HG12 ILE 3 6.193 -8.282 -6.569 18 HG13 ILE 3 HG13 ILE 3 4.899 -7.088 -6.545 19 HG21 ILE 3 HG21 ILE 3 7.656 -7.911 -5.254 20 HG22 ILE 3 HG22 ILE 3 8.685 -6.480 -5.257 21 HG23 ILE 3 HG23 ILE 3 7.226 -6.515 -4.266 22 HD11 ILE 3 HD11 ILE 3 6.407 -8.179 -8.786 23 HD12 ILE 3 HD12 ILE 3 4.809 -7.434 -8.741 24 HD13 ILE 3 HD13 ILE 3 6.251 -6.423 -8.818 25 H ASP 4 H ASP 4 7.906 -4.558 -4.193 26 HA ASP 4 HA ASP 4 8.465 -1.837 -5.016 27 HB2 ASP 4 HB2 ASP 4 8.393 -2.684 -2.597 28 HB3 ASP 4 HB3 ASP 4 9.967 -3.403 -2.925 29 H PHE 5 H PHE 5 9.464 -4.839 -6.008 30 HA PHE 5 HA PHE 5 12.245 -4.475 -6.343 31 HB2 PHE 5 HB2 PHE 5 10.966 -6.660 -6.486 32 HB3 PHE 5 HB3 PHE 5 10.462 -6.164 -8.099 33 HD1 PHE 5 HD1 PHE 5 13.409 -6.958 -6.012 34 HD2 PHE 5 HD2 PHE 5 11.878 -6.440 -9.950 35 HE1 PHE 5 HE1 PHE 5 15.490 -7.887 -6.940 36 HE2 PHE 5 HE2 PHE 5 13.956 -7.368 -10.884 37 HZ PHE 5 HZ PHE 5 15.765 -8.094 -9.379 38 H SER 6 H SER 6 9.577 -4.174 -8.690 39 HA SER 6 HA SER 6 11.336 -2.849 -10.579 40 HB2 SER 6 HB2 SER 6 9.432 -2.918 -12.103 41 HB3 SER 6 HB3 SER 6 9.659 -4.501 -11.360 42 HG SER 6 HG SER 6 7.438 -3.499 -11.447 43 H THR 7 H THR 7 11.772 -0.772 -10.245 44 HA THR 7 HA THR 7 9.591 1.120 -10.013 45 HB THR 7 HB THR 7 11.115 2.236 -8.099 46 HG1 THR 7 HG1 THR 7 12.332 0.078 -8.206 47 HG21 THR 7 HG21 THR 7 8.655 0.718 -8.194 48 HG22 THR 7 HG22 THR 7 9.057 2.145 -7.238 49 HG23 THR 7 HG23 THR 7 9.457 0.537 -6.634 50 H CYS 8 H CYS 8 11.969 0.315 -11.756 51 HA CYS 8 HA CYS 8 12.938 3.053 -12.173 52 HB2 CYS 8 HB2 CYS 8 14.586 1.395 -10.963 53 HB3 CYS 8 HB3 CYS 8 14.825 0.768 -12.591 54 H ALA 9 H ALA 9 13.658 3.491 -14.337 55 HA ALA 9 HA ALA 9 12.029 2.232 -16.310 56 HB1 ALA 9 HB1 ALA 9 12.586 3.967 -17.669 57 HB2 ALA 9 HB2 ALA 9 13.020 4.691 -16.120 58 HB3 ALA 9 HB3 ALA 9 14.270 3.985 -17.144 59 H ARG 10 H ARG 10 15.215 1.701 -15.138 60 HA ARG 10 HA ARG 10 16.005 0.197 -17.514 61 HB2 ARG 10 HB2 ARG 10 17.625 0.547 -14.998 62 HB3 ARG 10 HB3 ARG 10 18.197 0.148 -16.612 63 HG2 ARG 10 HG2 ARG 10 16.979 2.785 -15.822 64 HG3 ARG 10 HG3 ARG 10 18.709 2.461 -15.948 65 HD2 ARG 10 HD2 ARG 10 17.642 1.575 -18.360 66 HD3 ARG 10 HD3 ARG 10 16.787 3.079 -18.018 67 HE ARG 10 HE ARG 10 19.494 3.541 -17.578 68 HH11 ARG 10 HH11 ARG 10 17.382 2.729 -20.224 69 HH12 ARG 10 HH12 ARG 10 18.366 3.509 -21.419 70 HH21 ARG 10 HH21 ARG 10 20.797 4.570 -19.141 71 HH22 ARG 10 HH22 ARG 10 20.309 4.554 -20.802 72 H MET 11 H MET 11 13.852 -0.660 -15.635 73 HA MET 11 HA MET 11 14.971 -3.014 -14.351 74 HB2 MET 11 HB2 MET 11 13.214 -1.691 -13.223 75 HB3 MET 11 HB3 MET 11 12.101 -2.078 -14.528 76 HG2 MET 11 HG2 MET 11 13.352 -4.409 -13.279 77 HG3 MET 11 HG3 MET 11 12.331 -3.459 -12.202 78 HE1 MET 11 HE1 MET 11 12.320 -6.481 -13.724 79 HE2 MET 11 HE2 MET 11 11.160 -6.281 -12.411 80 HE3 MET 11 HE3 MET 11 10.608 -6.802 -14.003 81 H ASP 12 H ASP 12 12.165 -2.545 -16.505 82 HA ASP 12 HA ASP 12 13.084 -4.613 -18.293 83 HB2 ASP 12 HB2 ASP 12 11.916 -5.748 -16.287 84 HB3 ASP 12 HB3 ASP 12 10.427 -5.099 -16.968 85 H VAL 13 H VAL 13 10.503 -2.436 -17.282 86 HA VAL 13 HA VAL 13 9.634 -2.208 -20.084 87 HB VAL 13 HB VAL 13 7.629 -1.017 -19.066 88 HG11 VAL 13 HG11 VAL 13 7.201 -3.144 -19.896 89 HG12 VAL 13 HG12 VAL 13 8.227 -3.928 -18.693 90 HG13 VAL 13 HG13 VAL 13 6.665 -3.258 -18.220 91 HG21 VAL 13 HG21 VAL 13 7.375 -0.800 -16.851 92 HG22 VAL 13 HG22 VAL 13 7.988 -2.422 -16.526 93 HG23 VAL 13 HG23 VAL 13 9.114 -1.086 -16.769 94 HA PRO 14 HA PRO 14 11.970 1.680 -19.538 95 HB2 PRO 14 HB2 PRO 14 12.540 1.945 -22.179 96 HB3 PRO 14 HB3 PRO 14 13.493 0.933 -21.088 97 HG2 PRO 14 HG2 PRO 14 11.342 0.138 -23.013 98 HG3 PRO 14 HG3 PRO 14 12.899 -0.646 -22.688 99 HD2 PRO 14 HD2 PRO 14 10.569 -1.546 -21.643 100 HD3 PRO 14 HD3 PRO 14 12.119 -1.694 -20.790 101 H ILE 15 H ILE 15 9.088 0.810 -21.092 102 HA ILE 15 HA ILE 15 8.398 3.051 -22.573 103 HB ILE 15 HB ILE 15 6.537 1.397 -20.864 104 HG12 ILE 15 HG12 ILE 15 6.248 0.550 -23.463 105 HG13 ILE 15 HG13 ILE 15 7.981 0.842 -23.359 106 HG21 ILE 15 HG21 ILE 15 6.064 3.256 -23.182 107 HG22 ILE 15 HG22 ILE 15 4.876 2.073 -22.636 108 HG23 ILE 15 HG23 ILE 15 5.401 3.360 -21.551 109 HD11 ILE 15 HD11 ILE 15 6.803 -1.474 -22.690 110 HD12 ILE 15 HD12 ILE 15 8.321 -0.907 -21.992 111 HD13 ILE 15 HD13 ILE 15 6.805 -0.663 -21.124 112 H LEU 16 H LEU 16 8.433 5.107 -21.964 113 HA LEU 16 HA LEU 16 8.123 7.017 -20.772 114 HB2 LEU 16 HB2 LEU 16 5.979 5.224 -19.878 115 HB3 LEU 16 HB3 LEU 16 6.369 6.520 -18.748 116 HG LEU 16 HG LEU 16 5.956 7.308 -21.570 117 HD11 LEU 16 HD11 LEU 16 3.631 7.111 -21.575 118 HD12 LEU 16 HD12 LEU 16 3.564 6.748 -19.851 119 HD13 LEU 16 HD13 LEU 16 4.194 5.549 -20.980 120 HD21 LEU 16 HD21 LEU 16 4.834 9.197 -20.481 121 HD22 LEU 16 HD22 LEU 16 6.464 8.952 -19.852 122 HD23 LEU 16 HD23 LEU 16 5.067 8.425 -18.913 123 H LYS 17 H LYS 17 10.316 6.770 -20.015 124 HA LYS 17 HA LYS 17 11.095 5.452 -17.692 125 HB2 LYS 17 HB2 LYS 17 12.228 8.059 -18.719 126 HB3 LYS 17 HB3 LYS 17 13.046 6.886 -17.695 127 HG2 LYS 17 HG2 LYS 17 12.264 5.430 -19.925 128 HG3 LYS 17 HG3 LYS 17 12.809 6.980 -20.570 129 HD2 LYS 17 HD2 LYS 17 14.948 6.744 -19.599 130 HD3 LYS 17 HD3 LYS 17 14.416 5.414 -18.567 131 HE2 LYS 17 HE2 LYS 17 15.281 4.073 -20.132 132 HE3 LYS 17 HE3 LYS 17 13.856 4.482 -21.086 133 HZ1 LYS 17 HZ1 LYS 17 16.162 4.778 -22.132 134 HZ2 LYS 17 HZ2 LYS 17 16.268 6.177 -21.187 135 HZ3 LYS 17 HZ3 LYS 17 15.030 6.020 -22.330 136 H LYS 18 H LYS 18 9.689 8.652 -18.130 137 HA LYS 18 HA LYS 18 10.087 9.716 -15.599 138 HB2 LYS 18 HB2 LYS 18 8.133 10.139 -17.783 139 HB3 LYS 18 HB3 LYS 18 7.656 10.728 -16.196 140 HG2 LYS 18 HG2 LYS 18 10.344 11.521 -16.681 141 HG3 LYS 18 HG3 LYS 18 9.364 11.948 -18.085 142 HD2 LYS 18 HD2 LYS 18 8.145 12.542 -15.472 143 HD3 LYS 18 HD3 LYS 18 9.594 13.475 -15.856 144 HE2 LYS 18 HE2 LYS 18 8.107 13.498 -18.203 145 HE3 LYS 18 HE3 LYS 18 6.909 13.690 -16.925 146 HZ1 LYS 18 HZ1 LYS 18 8.231 15.534 -16.045 147 HZ2 LYS 18 HZ2 LYS 18 7.724 15.829 -17.631 148 HZ3 LYS 18 HZ3 LYS 18 9.324 15.371 -17.326 149 H ALA 19 H ALA 19 7.669 7.424 -16.723 150 HA ALA 19 HA ALA 19 6.012 7.470 -14.442 151 HB1 ALA 19 HB1 ALA 19 4.956 5.576 -15.325 152 HB2 ALA 19 HB2 ALA 19 5.529 6.463 -16.738 153 HB3 ALA 19 HB3 ALA 19 6.413 5.047 -16.168 154 H ALA 20 H ALA 20 8.740 5.374 -15.334 155 HA ALA 20 HA ALA 20 8.637 3.751 -13.023 156 HB1 ALA 20 HB1 ALA 20 10.550 2.744 -13.805 157 HB2 ALA 20 HB2 ALA 20 9.893 3.428 -15.293 158 HB3 ALA 20 HB3 ALA 20 11.208 4.248 -14.451 159 H GLN 21 H GLN 21 10.574 6.618 -13.831 160 HA GLN 21 HA GLN 21 12.043 6.683 -11.424 161 HB2 GLN 21 HB2 GLN 21 11.649 8.416 -13.742 162 HB3 GLN 21 HB3 GLN 21 11.893 9.316 -12.251 163 HG2 GLN 21 HG2 GLN 21 14.011 8.385 -11.901 164 HG3 GLN 21 HG3 GLN 21 13.729 7.095 -13.068 165 HE21 GLN 21 HE21 GLN 21 13.878 7.545 -15.270 166 HE22 GLN 21 HE22 GLN 21 14.666 8.964 -15.863 167 H GLY 22 H GLY 22 8.866 7.831 -12.290 168 HA2 GLY 22 HA2 GLY 22 8.401 9.716 -10.303 169 HA3 GLY 22 HA3 GLY 22 7.164 8.689 -11.012 170 H LEU 23 H LEU 23 8.527 6.236 -10.064 171 HA LEU 23 HA LEU 23 7.229 6.068 -7.525 172 HB2 LEU 23 HB2 LEU 23 9.133 4.085 -8.754 173 HB3 LEU 23 HB3 LEU 23 7.929 3.775 -7.505 174 HG LEU 23 HG LEU 23 7.474 4.304 -10.432 175 HD11 LEU 23 HD11 LEU 23 7.834 2.047 -10.210 176 HD12 LEU 23 HD12 LEU 23 6.089 2.137 -9.975 177 HD13 LEU 23 HD13 LEU 23 7.159 1.987 -8.582 178 HD21 LEU 23 HD21 LEU 23 5.009 3.937 -9.660 179 HD22 LEU 23 HD22 LEU 23 5.735 5.541 -9.566 180 HD23 LEU 23 HD23 LEU 23 5.606 4.545 -8.116 181 H CYS 24 H CYS 24 9.988 7.556 -8.273 182 HA CYS 24 HA CYS 24 11.271 6.844 -5.717 183 HB2 CYS 24 HB2 CYS 24 12.364 6.758 -8.325 184 HB3 CYS 24 HB3 CYS 24 13.112 8.127 -7.508 185 H ILE 25 H ILE 25 10.965 9.467 -8.108 186 HA ILE 25 HA ILE 25 11.807 11.518 -6.353 187 HB ILE 25 HB ILE 25 10.091 11.722 -8.831 188 HG12 ILE 25 HG12 ILE 25 12.531 12.669 -9.531 189 HG13 ILE 25 HG13 ILE 25 12.999 11.449 -8.352 190 HG21 ILE 25 HG21 ILE 25 10.818 14.072 -8.879 191 HG22 ILE 25 HG22 ILE 25 9.858 13.697 -7.449 192 HG23 ILE 25 HG23 ILE 25 11.610 13.843 -7.320 193 HD11 ILE 25 HD11 ILE 25 12.596 9.799 -9.777 194 HD12 ILE 25 HD12 ILE 25 11.020 10.458 -10.217 195 HD13 ILE 25 HD13 ILE 25 12.476 11.039 -11.024 196 H THR 26 H THR 26 8.578 10.433 -7.363 197 HA THR 26 HA THR 26 7.220 12.308 -5.673 198 HB THR 26 HB THR 26 6.471 10.410 -7.705 199 HG1 THR 26 HG1 THR 26 5.992 12.692 -7.619 200 HG21 THR 26 HG21 THR 26 4.810 10.376 -5.183 201 HG22 THR 26 HG22 THR 26 5.654 9.007 -5.907 202 HG23 THR 26 HG23 THR 26 4.288 9.745 -6.745 203 H SER 27 H SER 27 8.125 8.910 -5.458 204 HA SER 27 HA SER 27 6.635 8.221 -3.189 205 HB2 SER 27 HB2 SER 27 8.118 6.775 -4.829 206 HB3 SER 27 HB3 SER 27 9.358 7.050 -3.605 207 HG SER 27 HG SER 27 6.775 6.058 -2.998 208 H CYS 28 H CYS 28 9.644 9.949 -3.544 209 HA CYS 28 HA CYS 28 10.449 9.757 -0.814 210 HB2 CYS 28 HB2 CYS 28 11.567 10.727 -3.206 211 HB3 CYS 28 HB3 CYS 28 11.475 12.114 -2.125 212 H SER 29 H SER 29 8.730 12.192 -2.724 213 HA SER 29 HA SER 29 8.568 14.213 -0.825 214 HB2 SER 29 HB2 SER 29 7.743 14.050 -3.344 215 HB3 SER 29 HB3 SER 29 6.199 13.697 -2.569 216 HG SER 29 HG SER 29 7.825 15.979 -2.111 217 H MET 30 H MET 30 6.737 11.251 -1.132 218 HA MET 30 HA MET 30 4.688 11.957 0.721 219 HB2 MET 30 HB2 MET 30 5.524 9.136 0.104 220 HB3 MET 30 HB3 MET 30 3.923 9.742 0.505 221 HG2 MET 30 HG2 MET 30 4.541 11.114 -1.792 222 HG3 MET 30 HG3 MET 30 5.253 9.526 -2.070 223 HE1 MET 30 HE1 MET 30 1.284 10.460 -3.333 224 HE2 MET 30 HE2 MET 30 2.542 11.586 -2.822 225 HE3 MET 30 HE3 MET 30 2.881 10.396 -4.080 226 H GLN 31 H GLN 31 7.939 11.020 1.060 227 HA GLN 31 HA GLN 31 7.511 10.202 3.851 228 HB2 GLN 31 HB2 GLN 31 10.194 9.934 2.623 229 HB3 GLN 31 HB3 GLN 31 9.344 8.853 3.719 230 HG2 GLN 31 HG2 GLN 31 7.809 8.529 1.573 231 HG3 GLN 31 HG3 GLN 31 9.311 8.977 0.765 232 HE21 GLN 31 HE21 GLN 31 7.833 6.692 2.978 233 HE22 GLN 31 HE22 GLN 31 8.969 5.417 2.718 234 H ASN 32 H ASN 32 7.662 12.976 2.585 235 HA ASN 32 HA ASN 32 8.386 15.035 3.226 236 HB2 ASN 32 HB2 ASN 32 8.138 13.757 5.547 237 HB3 ASN 32 HB3 ASN 32 9.887 13.956 5.566 238 HD21 ASN 32 HD21 ASN 32 6.816 15.612 5.507 239 HD22 ASN 32 HD22 ASN 32 7.408 17.139 6.056 240 H CYS 33 H CYS 33 9.914 13.596 1.374 241 HA CYS 33 HA CYS 33 12.678 14.330 2.071 242 HB2 CYS 33 HB2 CYS 33 11.595 12.373 0.040 243 HB3 CYS 33 HB3 CYS 33 13.290 12.841 0.128 244 H GLY 34 H GLY 34 13.877 14.624 -0.291 245 HA2 GLY 34 HA2 GLY 34 12.480 16.948 -1.447 246 HA3 GLY 34 HA3 GLY 34 14.223 16.728 -1.421 247 H THR 35 H THR 35 14.762 14.413 -2.495 248 HA THR 35 HA THR 35 13.182 14.039 -4.920 249 HB THR 35 HB THR 35 14.949 15.774 -5.410 250 HG1 THR 35 HG1 THR 35 15.443 14.795 -7.390 251 HG21 THR 35 HG21 THR 35 17.209 15.275 -5.389 252 HG22 THR 35 HG22 THR 35 16.932 13.534 -5.432 253 HG23 THR 35 HG23 THR 35 16.647 14.437 -3.944 254 H GLY 36 H GLY 36 14.493 12.281 -6.321 255 HA2 GLY 36 HA2 GLY 36 15.970 10.346 -4.833 256 HA3 GLY 36 HA3 GLY 36 14.286 9.869 -4.996 257 H SER 37 H SER 37 17.140 9.197 -6.218 258 HA SER 37 HA SER 37 16.136 8.909 -8.975 259 HB2 SER 37 HB2 SER 37 18.329 10.336 -8.291 260 HB3 SER 37 HB3 SER 37 19.059 8.746 -8.515 261 HG SER 37 HG SER 37 17.315 9.871 -10.433 262 H CYS 38 H CYS 38 16.426 6.950 -10.015 263 HA CYS 38 HA CYS 38 17.222 4.715 -8.269 264 HB2 CYS 38 HB2 CYS 38 15.655 3.321 -9.427 265 HB3 CYS 38 HB3 CYS 38 14.812 4.800 -8.979 266 H LYS 39 H LYS 39 18.607 3.162 -9.028 267 HA LYS 39 HA LYS 39 19.547 3.318 -11.785 268 HB2 LYS 39 HB2 LYS 39 21.515 3.354 -9.499 269 HB3 LYS 39 HB3 LYS 39 21.855 3.538 -11.214 270 HG2 LYS 39 HG2 LYS 39 20.771 5.691 -11.244 271 HG3 LYS 39 HG3 LYS 39 20.282 5.500 -9.559 272 HD2 LYS 39 HD2 LYS 39 23.134 5.124 -9.901 273 HD3 LYS 39 HD3 LYS 39 22.607 6.701 -10.492 274 HE2 LYS 39 HE2 LYS 39 22.192 7.457 -8.425 275 HE3 LYS 39 HE3 LYS 39 21.408 5.955 -7.937 276 HZ1 LYS 39 HZ1 LYS 39 23.383 5.045 -7.241 277 HZ2 LYS 39 HZ2 LYS 39 23.615 6.668 -6.826 278 HZ3 LYS 39 HZ3 LYS 39 24.334 6.041 -8.223 279 H LYS 40 H LYS 40 20.499 1.417 -12.547 280 HA LYS 40 HA LYS 40 19.603 -0.975 -11.320 281 HB2 LYS 40 HB2 LYS 40 20.984 -0.209 -13.784 282 HB3 LYS 40 HB3 LYS 40 21.500 -1.769 -13.158 283 HG2 LYS 40 HG2 LYS 40 18.653 -0.976 -13.740 284 HG3 LYS 40 HG3 LYS 40 19.676 -1.981 -14.770 285 HD2 LYS 40 HD2 LYS 40 19.904 -3.562 -12.831 286 HD3 LYS 40 HD3 LYS 40 18.675 -2.609 -11.997 287 HE2 LYS 40 HE2 LYS 40 17.736 -4.592 -13.118 288 HE3 LYS 40 HE3 LYS 40 17.071 -3.084 -13.742 289 HZ1 LYS 40 HZ1 LYS 40 19.407 -4.096 -15.132 290 HZ2 LYS 40 HZ2 LYS 40 17.992 -3.408 -15.751 291 HZ3 LYS 40 HZ3 LYS 40 18.009 -5.035 -15.289 292 H ARG 41 H ARG 41 20.465 -1.863 -9.569 293 HA ARG 41 HA ARG 41 23.352 -1.570 -9.101 294 HB2 ARG 41 HB2 ARG 41 21.148 -2.302 -7.165 295 HB3 ARG 41 HB3 ARG 41 22.848 -2.122 -6.755 296 HG2 ARG 41 HG2 ARG 41 21.109 0.078 -7.852 297 HG3 ARG 41 HG3 ARG 41 21.474 -0.166 -6.142 298 HD2 ARG 41 HD2 ARG 41 23.484 0.372 -8.327 299 HD3 ARG 41 HD3 ARG 41 22.919 1.539 -7.132 300 HE ARG 41 HE ARG 41 23.915 -0.606 -5.706 301 HH11 ARG 41 HH11 ARG 41 25.124 1.715 -8.003 302 HH12 ARG 41 HH12 ARG 41 26.736 1.698 -7.368 303 HH21 ARG 41 HH21 ARG 41 26.034 -0.637 -4.862 304 HH22 ARG 41 HH22 ARG 41 27.253 0.359 -5.582 305 H SER 42 H SER 42 24.443 -3.249 -9.898 306 HA SER 42 HA SER 42 25.128 -5.378 -10.316 307 HB2 SER 42 HB2 SER 42 24.808 -5.429 -7.760 308 HB3 SER 42 HB3 SER 42 23.319 -6.312 -8.094 309 HG SER 42 HG SER 42 24.941 -7.613 -9.492 310 H GLY 43 H GLY 43 22.757 -4.335 -11.649 311 HA2 GLY 43 HA2 GLY 43 21.466 -5.252 -13.360 312 HA3 GLY 43 HA3 GLY 43 21.794 -6.854 -12.715 313 H ARG 44 H ARG 44 20.808 -4.833 -10.246 314 HA ARG 44 HA ARG 44 18.046 -5.834 -10.465 315 HB2 ARG 44 HB2 ARG 44 19.609 -5.152 -7.968 316 HB3 ARG 44 HB3 ARG 44 17.963 -5.769 -8.016 317 HG2 ARG 44 HG2 ARG 44 20.344 -7.259 -9.092 318 HG3 ARG 44 HG3 ARG 44 19.697 -7.467 -7.463 319 HD2 ARG 44 HD2 ARG 44 17.752 -8.457 -8.220 320 HD3 ARG 44 HD3 ARG 44 17.880 -7.724 -9.819 321 HE ARG 44 HE ARG 44 20.011 -9.369 -9.755 322 HH11 ARG 44 HH11 ARG 44 16.639 -9.848 -9.031 323 HH12 ARG 44 HH12 ARG 44 16.640 -11.514 -9.505 324 HH21 ARG 44 HH21 ARG 44 20.024 -11.562 -10.382 325 HH22 ARG 44 HH22 ARG 44 18.566 -12.488 -10.272 326 HA PRO 45 HA PRO 45 16.775 -1.609 -10.741 327 HB2 PRO 45 HB2 PRO 45 14.130 -2.003 -10.270 328 HB3 PRO 45 HB3 PRO 45 14.904 -2.412 -11.806 329 HG2 PRO 45 HG2 PRO 45 14.199 -4.194 -9.506 330 HG3 PRO 45 HG3 PRO 45 13.998 -4.479 -11.245 331 HD2 PRO 45 HD2 PRO 45 16.045 -5.536 -9.822 332 HD3 PRO 45 HD3 PRO 45 16.206 -5.077 -11.529 333 H THR 46 H THR 46 17.847 -0.831 -8.862 334 HA THR 46 HA THR 46 16.313 -0.951 -6.361 335 HB THR 46 HB THR 46 19.175 -0.102 -6.847 336 HG1 THR 46 HG1 THR 46 18.084 -2.375 -5.509 337 HG21 THR 46 HG21 THR 46 17.376 0.274 -4.569 338 HG22 THR 46 HG22 THR 46 18.911 1.058 -4.941 339 HG23 THR 46 HG23 THR 46 18.894 -0.519 -4.152 340 H CYS 47 H CYS 47 15.428 0.826 -5.458 341 HA CYS 47 HA CYS 47 15.640 3.333 -6.972 342 HB2 CYS 47 HB2 CYS 47 13.408 1.980 -6.202 343 HB3 CYS 47 HB3 CYS 47 13.587 3.112 -4.865 344 H VAL 48 H VAL 48 16.871 4.883 -6.161 345 HA VAL 48 HA VAL 48 17.395 4.906 -3.264 346 HB VAL 48 HB VAL 48 19.054 6.402 -5.268 347 HG11 VAL 48 HG11 VAL 48 19.844 7.055 -3.254 348 HG12 VAL 48 HG12 VAL 48 19.244 5.614 -2.429 349 HG13 VAL 48 HG13 VAL 48 20.739 5.539 -3.363 350 HG21 VAL 48 HG21 VAL 48 18.917 3.485 -4.858 351 HG22 VAL 48 HG22 VAL 48 19.469 4.411 -6.254 352 HG23 VAL 48 HG23 VAL 48 20.535 4.188 -4.866 353 H CYS 49 H CYS 49 17.288 6.839 -2.109 354 HA CYS 49 HA CYS 49 15.823 9.007 -3.466 355 HB2 CYS 49 HB2 CYS 49 15.299 7.569 -1.005 356 HB3 CYS 49 HB3 CYS 49 15.435 9.299 -0.710 357 H TYR 50 H TYR 50 16.120 11.174 -2.414 358 HA TYR 50 HA TYR 50 18.609 11.587 -0.998 359 HB2 TYR 50 HB2 TYR 50 18.213 12.667 -3.795 360 HB3 TYR 50 HB3 TYR 50 19.500 13.165 -2.702 361 HD1 TYR 50 HD1 TYR 50 18.288 10.535 -4.921 362 HD2 TYR 50 HD2 TYR 50 21.333 11.633 -2.160 363 HE1 TYR 50 HE1 TYR 50 19.689 8.687 -5.740 364 HE2 TYR 50 HE2 TYR 50 22.743 9.789 -2.973 365 HH TYR 50 HH TYR 50 22.324 7.523 -4.126 366 H ARG 51 H ARG 51 18.981 14.060 -0.760 367 HA ARG 51 HA ARG 51 18.222 15.956 0.252 368 HB2 ARG 51 HB2 ARG 51 16.075 15.715 -1.864 369 HB3 ARG 51 HB3 ARG 51 16.468 17.173 -0.963 370 HG2 ARG 51 HG2 ARG 51 18.890 16.512 -2.011 371 HG3 ARG 51 HG3 ARG 51 17.788 15.978 -3.281 372 HD2 ARG 51 HD2 ARG 51 17.196 18.079 -3.825 373 HD3 ARG 51 HD3 ARG 51 17.171 18.612 -2.144 374 HE ARG 51 HE ARG 51 19.833 18.198 -2.977 375 HH11 ARG 51 HH11 ARG 51 17.158 20.383 -3.416 376 HH12 ARG 51 HH12 ARG 51 18.164 21.750 -3.765 377 HH21 ARG 51 HH21 ARG 51 21.167 19.990 -3.435 378 HH22 ARG 51 HH22 ARG 51 20.444 21.525 -3.777 379 H CYS 52 H CYS 52 17.233 13.388 1.275 380 HA CYS 52 HA CYS 52 14.497 13.698 2.024 381 HB2 CYS 52 HB2 CYS 52 16.176 11.586 1.988 382 HB3 CYS 52 HB3 CYS 52 16.264 12.005 3.696 383 H ALA 53 H ALA 53 13.975 13.539 4.486 384 HA ALA 53 HA ALA 53 15.378 15.771 5.794 385 HB1 ALA 53 HB1 ALA 53 12.539 14.878 5.781 386 HB2 ALA 53 HB2 ALA 53 13.163 15.697 7.214 387 HB3 ALA 53 HB3 ALA 53 13.215 16.502 5.645 388 H ASN 54 H ASN 54 14.405 12.449 6.125 389 HA ASN 54 HA ASN 54 15.210 12.355 8.925 390 HB2 ASN 54 HB2 ASN 54 13.306 10.972 7.456 391 HB3 ASN 54 HB3 ASN 54 14.595 9.792 7.674 392 HD21 ASN 54 HD21 ASN 54 14.720 8.751 9.543 393 HD22 ASN 54 HD22 ASN 54 13.831 9.145 10.971 394 H GLY 55 H GLY 55 17.048 12.753 6.517 395 HA2 GLY 55 HA2 GLY 55 19.294 11.433 7.522 396 HA3 GLY 55 HA3 GLY 55 18.649 10.446 6.219 397 H GLY 56 H GLY 56 17.673 12.816 4.747 398 HA2 GLY 56 HA2 GLY 56 18.423 14.224 3.097 399 HA3 GLY 56 HA3 GLY 56 19.751 14.613 4.181 400 H GLY 57 H GLY 57 18.721 11.842 2.174 401 HA2 GLY 57 HA2 GLY 57 20.700 11.872 0.294 402 HA3 GLY 57 HA3 GLY 57 21.447 11.078 1.672 403 H ASP 58 H ASP 58 21.633 9.047 0.846 404 HA ASP 58 HA ASP 58 19.624 7.725 -0.637 405 HB2 ASP 58 HB2 ASP 58 20.965 5.648 -0.039 406 HB3 ASP 58 HB3 ASP 58 21.845 6.924 -0.876 407 H ILE 59 H ILE 59 17.658 7.393 0.194 408 HA ILE 59 HA ILE 59 17.469 5.876 2.692 409 HB ILE 59 HB ILE 59 15.599 8.173 2.161 410 HG12 ILE 59 HG12 ILE 59 18.008 8.919 2.427 411 HG13 ILE 59 HG13 ILE 59 16.873 9.578 3.600 412 HG21 ILE 59 HG21 ILE 59 16.091 6.265 4.399 413 HG22 ILE 59 HG22 ILE 59 15.462 7.873 4.756 414 HG23 ILE 59 HG23 ILE 59 14.568 6.795 3.684 415 HD11 ILE 59 HD11 ILE 59 17.759 8.376 5.333 416 HD12 ILE 59 HD12 ILE 59 18.380 7.105 4.279 417 HD13 ILE 59 HD13 ILE 59 19.196 8.667 4.353 418 HA PRO 60 HA PRO 60 14.886 3.744 -0.349 419 HB2 PRO 60 HB2 PRO 60 14.872 1.390 1.004 420 HB3 PRO 60 HB3 PRO 60 16.211 1.893 -0.033 421 HG2 PRO 60 HG2 PRO 60 15.957 2.057 2.945 422 HG3 PRO 60 HG3 PRO 60 17.350 1.561 1.967 423 HD2 PRO 60 HD2 PRO 60 17.144 4.029 3.060 424 HD3 PRO 60 HD3 PRO 60 17.968 3.735 1.515 425 H LEU 61 H LEU 61 12.736 3.049 -0.328 426 HA LEU 61 HA LEU 61 10.972 4.282 1.388 427 HB2 LEU 61 HB2 LEU 61 10.546 1.715 -0.135 428 HB3 LEU 61 HB3 LEU 61 9.270 2.726 0.541 429 HG LEU 61 HG LEU 61 11.081 3.323 -1.785 430 HD11 LEU 61 HD11 LEU 61 9.321 2.343 -2.780 431 HD12 LEU 61 HD12 LEU 61 8.549 3.909 -2.530 432 HD13 LEU 61 HD13 LEU 61 8.261 2.593 -1.392 433 HD21 LEU 61 HD21 LEU 61 9.503 5.178 -0.056 434 HD22 LEU 61 HD22 LEU 61 9.656 5.504 -1.783 435 HD23 LEU 61 HD23 LEU 61 11.099 5.395 -0.774 436 H GLY 62 H GLY 62 12.754 1.361 1.865 437 HA2 GLY 62 HA2 GLY 62 11.082 0.264 3.914 438 HA3 GLY 62 HA3 GLY 62 12.728 -0.225 3.540 439 H ALA 63 H ALA 63 13.895 2.383 3.884 440 HA ALA 63 HA ALA 63 14.216 2.317 6.741 441 HB1 ALA 63 HB1 ALA 63 15.839 4.180 6.311 442 HB2 ALA 63 HB2 ALA 63 16.181 2.679 5.449 443 HB3 ALA 63 HB3 ALA 63 15.445 4.038 4.597 444 H LEU 64 H LEU 64 12.418 4.198 4.457 445 HA LEU 64 HA LEU 64 11.883 6.312 6.391 446 HB2 LEU 64 HB2 LEU 64 11.517 5.939 3.487 447 HB3 LEU 64 HB3 LEU 64 10.291 6.908 4.301 448 HG LEU 64 HG LEU 64 13.153 7.580 4.765 449 HD11 LEU 64 HD11 LEU 64 13.546 8.523 2.738 450 HD12 LEU 64 HD12 LEU 64 11.838 8.818 2.417 451 HD13 LEU 64 HD13 LEU 64 12.505 7.198 2.216 452 HD21 LEU 64 HD21 LEU 64 10.609 8.702 5.316 453 HD22 LEU 64 HD22 LEU 64 11.449 9.784 4.205 454 HD23 LEU 64 HD23 LEU 64 12.202 9.332 5.735 455 H ILE 65 H ILE 65 10.819 3.319 6.140 456 HA ILE 65 HA ILE 65 8.056 3.368 5.901 457 HB ILE 65 HB ILE 65 9.827 1.624 7.605 458 HG12 ILE 65 HG12 ILE 65 8.329 1.089 5.030 459 HG13 ILE 65 HG13 ILE 65 10.051 1.438 5.146 460 HG21 ILE 65 HG21 ILE 65 7.836 0.109 7.750 461 HG22 ILE 65 HG22 ILE 65 7.707 1.596 8.689 462 HG23 ILE 65 HG23 ILE 65 6.856 1.448 7.152 463 HD11 ILE 65 HD11 ILE 65 8.607 -0.966 6.230 464 HD12 ILE 65 HD12 ILE 65 9.759 -0.915 4.895 465 HD13 ILE 65 HD13 ILE 65 10.304 -0.598 6.542 466 H LYS 66 H LYS 66 6.399 3.978 7.169 467 HA LYS 66 HA LYS 66 7.055 5.050 9.835 468 HB2 LYS 66 HB2 LYS 66 4.812 5.927 8.008 469 HB3 LYS 66 HB3 LYS 66 5.244 6.646 9.553 470 HG2 LYS 66 HG2 LYS 66 7.146 7.648 8.705 471 HG3 LYS 66 HG3 LYS 66 7.246 6.536 7.338 472 HD2 LYS 66 HD2 LYS 66 4.979 8.484 7.663 473 HD3 LYS 66 HD3 LYS 66 6.480 8.914 6.841 474 HE2 LYS 66 HE2 LYS 66 5.771 7.931 4.981 475 HE3 LYS 66 HE3 LYS 66 5.565 6.405 5.840 476 HZ1 LYS 66 HZ1 LYS 66 3.407 6.663 5.443 477 HZ2 LYS 66 HZ2 LYS 66 3.588 8.274 4.960 478 HZ3 LYS 66 HZ3 LYS 66 3.413 7.897 6.600 479 H ARG 67 H ARG 67 5.675 2.487 8.384 480 HA ARG 67 HA ARG 67 3.407 2.269 10.220 481 HB2 ARG 67 HB2 ARG 67 3.223 1.730 7.735 482 HB3 ARG 67 HB3 ARG 67 4.190 0.301 8.075 483 HG2 ARG 67 HG2 ARG 67 1.904 0.601 9.860 484 HG3 ARG 67 HG3 ARG 67 1.462 0.442 8.159 485 HD2 ARG 67 HD2 ARG 67 3.541 -1.413 9.107 486 HD3 ARG 67 HD3 ARG 67 1.942 -1.645 9.814 487 HE ARG 67 HE ARG 67 1.507 -1.432 7.116 488 HH11 ARG 67 HH11 ARG 67 3.405 -3.493 9.183 489 HH12 ARG 67 HH12 ARG 67 3.301 -4.864 8.129 490 HH21 ARG 67 HH21 ARG 67 1.364 -3.230 5.720 491 HH22 ARG 67 HH22 ARG 67 2.141 -4.713 6.159 492 H GLY 68 H GLY 68 6.574 1.726 10.439 493 HA2 GLY 68 HA2 GLY 68 7.584 0.629 12.274 494 HA3 GLY 68 HA3 GLY 68 6.186 -0.431 12.379 Start of MODEL 9 1 H MET 1 H MET 1 -0.223 1.210 -4.067 2 HA MET 1 HA MET 1 1.033 1.436 -2.117 3 HB2 MET 1 HB2 MET 1 -1.594 0.701 -0.860 4 HB3 MET 1 HB3 MET 1 -0.106 0.653 0.076 5 HG2 MET 1 HG2 MET 1 0.084 2.900 0.154 6 HG3 MET 1 HG3 MET 1 -0.615 3.125 -1.448 7 HE1 MET 1 HE1 MET 1 -2.486 4.044 -1.911 8 HE2 MET 1 HE2 MET 1 -3.970 4.215 -0.975 9 HE3 MET 1 HE3 MET 1 -2.584 5.249 -0.626 10 H ASP 2 H ASP 2 2.274 -0.196 -3.105 11 HA ASP 2 HA ASP 2 2.521 -2.578 -1.599 12 HB2 ASP 2 HB2 ASP 2 2.077 -4.142 -3.569 13 HB3 ASP 2 HB3 ASP 2 0.664 -3.462 -2.765 14 H ILE 3 H ILE 3 4.333 -3.882 -2.273 15 HA ILE 3 HA ILE 3 6.390 -2.286 -3.506 16 HB ILE 3 HB ILE 3 6.756 -5.164 -2.757 17 HG12 ILE 3 HG12 ILE 3 7.471 -3.811 -0.486 18 HG13 ILE 3 HG13 ILE 3 6.024 -2.937 -0.979 19 HG21 ILE 3 HG21 ILE 3 8.701 -4.308 -3.682 20 HG22 ILE 3 HG22 ILE 3 8.472 -2.722 -2.948 21 HG23 ILE 3 HG23 ILE 3 8.968 -4.090 -1.952 22 HD11 ILE 3 HD11 ILE 3 5.558 -5.751 -1.171 23 HD12 ILE 3 HD12 ILE 3 6.183 -5.350 0.429 24 HD13 ILE 3 HD13 ILE 3 4.738 -4.544 -0.180 25 H ASP 4 H ASP 4 7.840 -3.223 -5.174 26 HA ASP 4 HA ASP 4 6.814 -5.269 -6.904 27 HB2 ASP 4 HB2 ASP 4 6.345 -2.411 -7.510 28 HB3 ASP 4 HB3 ASP 4 6.963 -3.386 -8.841 29 H PHE 5 H PHE 5 8.405 -6.154 -8.117 30 HA PHE 5 HA PHE 5 11.084 -5.563 -7.546 31 HB2 PHE 5 HB2 PHE 5 10.428 -7.777 -8.275 32 HB3 PHE 5 HB3 PHE 5 9.880 -7.145 -9.824 33 HD1 PHE 5 HD1 PHE 5 11.257 -7.553 -11.602 34 HD2 PHE 5 HD2 PHE 5 12.982 -7.032 -7.745 35 HE1 PHE 5 HE1 PHE 5 13.492 -7.945 -12.552 36 HE2 PHE 5 HE2 PHE 5 15.220 -7.423 -8.690 37 HZ PHE 5 HZ PHE 5 15.477 -7.879 -11.096 38 H SER 6 H SER 6 9.001 -4.602 -10.216 39 HA SER 6 HA SER 6 11.194 -3.177 -11.508 40 HB2 SER 6 HB2 SER 6 9.642 -2.803 -13.341 41 HB3 SER 6 HB3 SER 6 9.595 -4.505 -12.878 42 HG SER 6 HG SER 6 7.544 -3.031 -13.130 43 H THR 7 H THR 7 11.660 -1.207 -10.812 44 HA THR 7 HA THR 7 9.502 0.712 -10.405 45 HB THR 7 HB THR 7 11.088 1.456 -8.335 46 HG1 THR 7 HG1 THR 7 11.312 -1.337 -8.653 47 HG21 THR 7 HG21 THR 7 9.265 -0.317 -7.171 48 HG22 THR 7 HG22 THR 7 8.515 0.194 -8.684 49 HG23 THR 7 HG23 THR 7 9.020 1.398 -7.499 50 H CYS 8 H CYS 8 11.995 0.071 -12.147 51 HA CYS 8 HA CYS 8 12.935 2.849 -12.226 52 HB2 CYS 8 HB2 CYS 8 14.562 1.211 -11.055 53 HB3 CYS 8 HB3 CYS 8 14.850 0.573 -12.671 54 H ALA 9 H ALA 9 13.800 3.500 -14.289 55 HA ALA 9 HA ALA 9 12.305 2.450 -16.475 56 HB1 ALA 9 HB1 ALA 9 13.171 4.867 -16.040 57 HB2 ALA 9 HB2 ALA 9 14.621 4.294 -16.866 58 HB3 ALA 9 HB3 ALA 9 13.062 4.255 -17.690 59 H ARG 10 H ARG 10 15.262 1.579 -15.080 60 HA ARG 10 HA ARG 10 16.360 0.473 -17.545 61 HB2 ARG 10 HB2 ARG 10 17.510 0.265 -14.763 62 HB3 ARG 10 HB3 ARG 10 18.345 0.013 -16.290 63 HG2 ARG 10 HG2 ARG 10 17.236 2.638 -15.315 64 HG3 ARG 10 HG3 ARG 10 18.932 2.151 -15.266 65 HD2 ARG 10 HD2 ARG 10 18.056 1.742 -17.908 66 HD3 ARG 10 HD3 ARG 10 17.440 3.319 -17.416 67 HE ARG 10 HE ARG 10 20.062 3.306 -16.628 68 HH11 ARG 10 HH11 ARG 10 18.364 2.858 -19.635 69 HH12 ARG 10 HH12 ARG 10 19.652 3.491 -20.606 70 HH21 ARG 10 HH21 ARG 10 21.764 4.141 -17.897 71 HH22 ARG 10 HH22 ARG 10 21.585 4.220 -19.617 72 H MET 11 H MET 11 13.872 -0.542 -16.251 73 HA MET 11 HA MET 11 14.577 -3.144 -15.216 74 HB2 MET 11 HB2 MET 11 12.229 -1.478 -15.285 75 HB3 MET 11 HB3 MET 11 11.834 -3.093 -15.856 76 HG2 MET 11 HG2 MET 11 13.392 -2.734 -13.336 77 HG3 MET 11 HG3 MET 11 11.642 -2.534 -13.339 78 HE1 MET 11 HE1 MET 11 14.197 -5.286 -15.036 79 HE2 MET 11 HE2 MET 11 14.632 -4.714 -13.424 80 HE3 MET 11 HE3 MET 11 14.058 -6.368 -13.650 81 H ASP 12 H ASP 12 12.332 -2.285 -17.844 82 HA ASP 12 HA ASP 12 13.704 -3.997 -19.717 83 HB2 ASP 12 HB2 ASP 12 11.912 -5.276 -18.110 84 HB3 ASP 12 HB3 ASP 12 10.881 -4.805 -19.458 85 H VAL 13 H VAL 13 10.851 -2.075 -18.936 86 HA VAL 13 HA VAL 13 10.645 -1.309 -21.774 87 HB VAL 13 HB VAL 13 8.342 -0.465 -21.099 88 HG11 VAL 13 HG11 VAL 13 7.961 -2.307 -22.312 89 HG12 VAL 13 HG12 VAL 13 9.262 -3.204 -21.526 90 HG13 VAL 13 HG13 VAL 13 7.675 -3.101 -20.763 91 HG21 VAL 13 HG21 VAL 13 7.476 -0.837 -19.050 92 HG22 VAL 13 HG22 VAL 13 8.301 -2.385 -18.863 93 HG23 VAL 13 HG23 VAL 13 9.171 -0.880 -18.565 94 HA PRO 14 HA PRO 14 12.336 2.419 -19.636 95 HB2 PRO 14 HB2 PRO 14 13.961 3.127 -21.692 96 HB3 PRO 14 HB3 PRO 14 14.438 1.968 -20.445 97 HG2 PRO 14 HG2 PRO 14 13.408 1.461 -23.210 98 HG3 PRO 14 HG3 PRO 14 14.737 0.664 -22.348 99 HD2 PRO 14 HD2 PRO 14 12.275 -0.442 -22.570 100 HD3 PRO 14 HD3 PRO 14 13.313 -0.698 -21.152 101 H ILE 15 H ILE 15 10.486 1.761 -22.392 102 HA ILE 15 HA ILE 15 10.297 4.147 -23.753 103 HB ILE 15 HB ILE 15 7.994 2.306 -23.096 104 HG12 ILE 15 HG12 ILE 15 9.843 1.079 -24.110 105 HG13 ILE 15 HG13 ILE 15 8.523 1.241 -25.263 106 HG21 ILE 15 HG21 ILE 15 8.350 4.556 -25.022 107 HG22 ILE 15 HG22 ILE 15 7.298 3.207 -25.445 108 HG23 ILE 15 HG23 ILE 15 6.970 4.160 -23.998 109 HD11 ILE 15 HD11 ILE 15 10.589 1.606 -26.399 110 HD12 ILE 15 HD12 ILE 15 9.739 3.148 -26.286 111 HD13 ILE 15 HD13 ILE 15 11.090 2.804 -25.206 112 H LEU 16 H LEU 16 9.011 3.311 -20.617 113 HA LEU 16 HA LEU 16 7.843 6.009 -20.414 114 HB2 LEU 16 HB2 LEU 16 7.066 3.699 -18.668 115 HB3 LEU 16 HB3 LEU 16 6.194 5.203 -18.959 116 HG LEU 16 HG LEU 16 6.327 3.970 -21.453 117 HD11 LEU 16 HD11 LEU 16 5.664 1.956 -19.310 118 HD12 LEU 16 HD12 LEU 16 7.032 1.890 -20.421 119 HD13 LEU 16 HD13 LEU 16 5.386 1.744 -21.039 120 HD21 LEU 16 HD21 LEU 16 4.479 5.219 -20.007 121 HD22 LEU 16 HD22 LEU 16 3.937 3.561 -19.745 122 HD23 LEU 16 HD23 LEU 16 4.066 4.199 -21.385 123 H LYS 17 H LYS 17 10.336 6.244 -19.965 124 HA LYS 17 HA LYS 17 11.463 5.442 -17.548 125 HB2 LYS 17 HB2 LYS 17 11.934 7.868 -19.274 126 HB3 LYS 17 HB3 LYS 17 12.879 7.554 -17.824 127 HG2 LYS 17 HG2 LYS 17 14.202 6.181 -18.943 128 HG3 LYS 17 HG3 LYS 17 12.822 5.193 -19.426 129 HD2 LYS 17 HD2 LYS 17 12.409 6.752 -21.300 130 HD3 LYS 17 HD3 LYS 17 13.854 7.655 -20.836 131 HE2 LYS 17 HE2 LYS 17 14.668 4.988 -21.009 132 HE3 LYS 17 HE3 LYS 17 13.613 5.241 -22.399 133 HZ1 LYS 17 HZ1 LYS 17 15.133 6.503 -23.391 134 HZ2 LYS 17 HZ2 LYS 17 16.239 5.931 -22.246 135 HZ3 LYS 17 HZ3 LYS 17 15.446 7.404 -21.994 136 H LYS 18 H LYS 18 9.574 8.345 -18.313 137 HA LYS 18 HA LYS 18 9.776 9.636 -15.854 138 HB2 LYS 18 HB2 LYS 18 8.007 9.764 -18.187 139 HB3 LYS 18 HB3 LYS 18 7.226 10.247 -16.687 140 HG2 LYS 18 HG2 LYS 18 9.862 11.425 -16.997 141 HG3 LYS 18 HG3 LYS 18 8.765 11.845 -18.314 142 HD2 LYS 18 HD2 LYS 18 8.344 13.511 -16.758 143 HD3 LYS 18 HD3 LYS 18 7.071 12.338 -16.414 144 HE2 LYS 18 HE2 LYS 18 7.791 12.579 -14.291 145 HE3 LYS 18 HE3 LYS 18 9.019 11.418 -14.795 146 HZ1 LYS 18 HZ1 LYS 18 9.269 14.274 -14.264 147 HZ2 LYS 18 HZ2 LYS 18 10.206 13.651 -15.527 148 HZ3 LYS 18 HZ3 LYS 18 10.362 13.018 -13.966 149 H ALA 19 H ALA 19 7.636 7.047 -16.901 150 HA ALA 19 HA ALA 19 5.964 7.094 -14.596 151 HB1 ALA 19 HB1 ALA 19 5.492 6.063 -16.903 152 HB2 ALA 19 HB2 ALA 19 6.387 4.666 -16.302 153 HB3 ALA 19 HB3 ALA 19 4.927 5.201 -15.471 154 H ALA 20 H ALA 20 8.744 5.102 -15.559 155 HA ALA 20 HA ALA 20 8.759 3.444 -13.281 156 HB1 ALA 20 HB1 ALA 20 10.601 2.495 -14.183 157 HB2 ALA 20 HB2 ALA 20 10.086 3.398 -15.608 158 HB3 ALA 20 HB3 ALA 20 11.350 4.046 -14.563 159 H GLN 21 H GLN 21 10.533 6.432 -14.025 160 HA GLN 21 HA GLN 21 11.971 6.515 -11.589 161 HB2 GLN 21 HB2 GLN 21 11.579 8.246 -13.909 162 HB3 GLN 21 HB3 GLN 21 11.769 9.144 -12.410 163 HG2 GLN 21 HG2 GLN 21 13.905 8.285 -12.026 164 HG3 GLN 21 HG3 GLN 21 13.680 6.972 -13.181 165 HE21 GLN 21 HE21 GLN 21 15.136 9.876 -12.694 166 HE22 GLN 21 HE22 GLN 21 15.400 10.347 -14.335 167 H GLY 22 H GLY 22 8.788 7.589 -12.534 168 HA2 GLY 22 HA2 GLY 22 8.223 9.446 -10.547 169 HA3 GLY 22 HA3 GLY 22 7.031 8.395 -11.296 170 H LEU 23 H LEU 23 8.425 5.968 -10.329 171 HA LEU 23 HA LEU 23 7.062 5.746 -7.831 172 HB2 LEU 23 HB2 LEU 23 9.056 3.826 -9.017 173 HB3 LEU 23 HB3 LEU 23 7.826 3.474 -7.804 174 HG LEU 23 HG LEU 23 7.443 4.005 -10.741 175 HD11 LEU 23 HD11 LEU 23 6.072 1.802 -10.271 176 HD12 LEU 23 HD12 LEU 23 7.192 1.674 -8.915 177 HD13 LEU 23 HD13 LEU 23 7.811 1.761 -10.564 178 HD21 LEU 23 HD21 LEU 23 5.525 4.253 -8.478 179 HD22 LEU 23 HD22 LEU 23 4.960 3.542 -9.991 180 HD23 LEU 23 HD23 LEU 23 5.630 5.175 -9.979 181 H CYS 24 H CYS 24 9.807 7.308 -8.491 182 HA CYS 24 HA CYS 24 11.026 6.620 -5.897 183 HB2 CYS 24 HB2 CYS 24 12.201 6.584 -8.479 184 HB3 CYS 24 HB3 CYS 24 12.902 7.946 -7.610 185 H ILE 25 H ILE 25 10.738 9.240 -8.294 186 HA ILE 25 HA ILE 25 11.476 11.307 -6.512 187 HB ILE 25 HB ILE 25 9.836 11.471 -9.043 188 HG12 ILE 25 HG12 ILE 25 12.260 12.482 -9.675 189 HG13 ILE 25 HG13 ILE 25 12.737 11.296 -8.465 190 HG21 ILE 25 HG21 ILE 25 10.653 13.856 -9.036 191 HG22 ILE 25 HG22 ILE 25 9.446 13.458 -7.813 192 HG23 ILE 25 HG23 ILE 25 11.146 13.595 -7.363 193 HD11 ILE 25 HD11 ILE 25 12.350 10.815 -11.133 194 HD12 ILE 25 HD12 ILE 25 12.396 9.597 -9.858 195 HD13 ILE 25 HD13 ILE 25 10.849 10.240 -10.407 196 H THR 26 H THR 26 8.305 10.150 -7.622 197 HA THR 26 HA THR 26 6.852 11.989 -5.974 198 HB THR 26 HB THR 26 6.212 10.074 -8.026 199 HG1 THR 26 HG1 THR 26 5.687 12.426 -7.738 200 HG21 THR 26 HG21 THR 26 5.376 8.650 -6.253 201 HG22 THR 26 HG22 THR 26 4.018 9.354 -7.131 202 HG23 THR 26 HG23 THR 26 4.478 9.997 -5.555 203 H SER 27 H SER 27 7.832 8.614 -5.729 204 HA SER 27 HA SER 27 6.291 7.887 -3.507 205 HB2 SER 27 HB2 SER 27 7.863 6.480 -5.096 206 HB3 SER 27 HB3 SER 27 9.057 6.791 -3.835 207 HG SER 27 HG SER 27 6.501 5.834 -3.155 208 H CYS 28 H CYS 28 9.263 9.695 -3.767 209 HA CYS 28 HA CYS 28 9.969 9.530 -1.003 210 HB2 CYS 28 HB2 CYS 28 11.162 10.506 -3.363 211 HB3 CYS 28 HB3 CYS 28 11.022 11.888 -2.281 212 H SER 29 H SER 29 8.305 11.929 -3.008 213 HA SER 29 HA SER 29 8.034 13.961 -1.132 214 HB2 SER 29 HB2 SER 29 7.330 13.775 -3.684 215 HB3 SER 29 HB3 SER 29 5.755 13.404 -2.982 216 HG SER 29 HG SER 29 6.569 15.747 -3.408 217 H MET 30 H MET 30 6.261 10.971 -1.496 218 HA MET 30 HA MET 30 4.112 11.662 0.244 219 HB2 MET 30 HB2 MET 30 5.032 8.850 -0.291 220 HB3 MET 30 HB3 MET 30 3.401 9.429 0.025 221 HG2 MET 30 HG2 MET 30 4.113 10.782 -2.260 222 HG3 MET 30 HG3 MET 30 4.851 9.197 -2.480 223 HE1 MET 30 HE1 MET 30 0.414 10.194 -2.047 224 HE2 MET 30 HE2 MET 30 1.788 11.110 -1.426 225 HE3 MET 30 HE3 MET 30 1.452 11.088 -3.158 226 H GLN 31 H GLN 31 7.359 10.807 0.762 227 HA GLN 31 HA GLN 31 6.804 10.024 3.543 228 HB2 GLN 31 HB2 GLN 31 9.528 9.762 2.366 229 HB3 GLN 31 HB3 GLN 31 8.717 8.750 3.554 230 HG2 GLN 31 HG2 GLN 31 7.199 8.403 1.284 231 HG3 GLN 31 HG3 GLN 31 8.847 8.498 0.667 232 HE21 GLN 31 HE21 GLN 31 9.790 6.609 0.485 233 HE22 GLN 31 HE22 GLN 31 9.530 5.231 1.495 234 H ASN 32 H ASN 32 6.993 12.775 2.223 235 HA ASN 32 HA ASN 32 7.662 14.854 2.859 236 HB2 ASN 32 HB2 ASN 32 8.971 13.683 5.300 237 HB3 ASN 32 HB3 ASN 32 8.196 15.253 5.110 238 HD21 ASN 32 HD21 ASN 32 5.931 15.373 5.098 239 HD22 ASN 32 HD22 ASN 32 4.960 14.109 5.766 240 H CYS 33 H CYS 33 9.322 13.285 1.166 241 HA CYS 33 HA CYS 33 12.037 14.050 1.978 242 HB2 CYS 33 HB2 CYS 33 11.033 12.155 -0.152 243 HB3 CYS 33 HB3 CYS 33 12.728 12.594 0.038 244 H GLY 34 H GLY 34 13.337 14.345 -0.351 245 HA2 GLY 34 HA2 GLY 34 12.037 16.726 -1.508 246 HA3 GLY 34 HA3 GLY 34 13.774 16.479 -1.406 247 H THR 35 H THR 35 14.332 14.182 -2.504 248 HA THR 35 HA THR 35 12.858 13.872 -5.002 249 HB THR 35 HB THR 35 14.655 15.604 -5.382 250 HG1 THR 35 HG1 THR 35 15.431 14.444 -7.309 251 HG21 THR 35 HG21 THR 35 16.642 13.378 -5.402 252 HG22 THR 35 HG22 THR 35 16.274 14.180 -3.875 253 HG23 THR 35 HG23 THR 35 16.899 15.114 -5.234 254 H GLY 36 H GLY 36 14.221 12.135 -6.383 255 HA2 GLY 36 HA2 GLY 36 15.619 10.160 -4.871 256 HA3 GLY 36 HA3 GLY 36 13.942 9.698 -5.120 257 H SER 37 H SER 37 16.831 9.006 -6.220 258 HA SER 37 HA SER 37 15.946 8.774 -9.022 259 HB2 SER 37 HB2 SER 37 18.084 10.224 -8.258 260 HB3 SER 37 HB3 SER 37 18.853 8.646 -8.430 261 HG SER 37 HG SER 37 18.350 10.313 -10.342 262 H CYS 38 H CYS 38 16.292 6.834 -10.079 263 HA CYS 38 HA CYS 38 17.043 4.581 -8.335 264 HB2 CYS 38 HB2 CYS 38 15.529 3.192 -9.555 265 HB3 CYS 38 HB3 CYS 38 14.659 4.670 -9.157 266 H LYS 39 H LYS 39 18.472 3.051 -9.061 267 HA LYS 39 HA LYS 39 19.520 3.256 -11.776 268 HB2 LYS 39 HB2 LYS 39 21.396 3.280 -9.414 269 HB3 LYS 39 HB3 LYS 39 21.800 3.493 -11.112 270 HG2 LYS 39 HG2 LYS 39 20.673 5.633 -11.148 271 HG3 LYS 39 HG3 LYS 39 20.156 5.413 -9.474 272 HD2 LYS 39 HD2 LYS 39 22.316 5.679 -8.644 273 HD3 LYS 39 HD3 LYS 39 23.062 5.326 -10.204 274 HE2 LYS 39 HE2 LYS 39 21.347 7.609 -10.444 275 HE3 LYS 39 HE3 LYS 39 22.460 7.845 -9.098 276 HZ1 LYS 39 HZ1 LYS 39 22.985 8.064 -11.838 277 HZ2 LYS 39 HZ2 LYS 39 23.896 6.770 -11.243 278 HZ3 LYS 39 HZ3 LYS 39 24.050 8.303 -10.545 279 H LYS 40 H LYS 40 20.497 1.373 -12.532 280 HA LYS 40 HA LYS 40 19.592 -1.043 -11.355 281 HB2 LYS 40 HB2 LYS 40 21.046 -0.239 -13.772 282 HB3 LYS 40 HB3 LYS 40 21.525 -1.814 -13.154 283 HG2 LYS 40 HG2 LYS 40 18.689 -1.000 -13.758 284 HG3 LYS 40 HG3 LYS 40 19.730 -1.925 -14.842 285 HD2 LYS 40 HD2 LYS 40 19.990 -3.498 -12.767 286 HD3 LYS 40 HD3 LYS 40 18.485 -2.735 -12.250 287 HE2 LYS 40 HE2 LYS 40 18.009 -4.774 -13.468 288 HE3 LYS 40 HE3 LYS 40 17.450 -3.378 -14.387 289 HZ1 LYS 40 HZ1 LYS 40 20.137 -4.099 -15.040 290 HZ2 LYS 40 HZ2 LYS 40 18.805 -3.877 -16.058 291 HZ3 LYS 40 HZ3 LYS 40 19.060 -5.375 -15.314 292 H ARG 41 H ARG 41 20.416 -1.894 -9.565 293 HA ARG 41 HA ARG 41 23.273 -1.555 -8.998 294 HB2 ARG 41 HB2 ARG 41 20.993 -2.434 -7.216 295 HB3 ARG 41 HB3 ARG 41 22.671 -2.306 -6.705 296 HG2 ARG 41 HG2 ARG 41 21.002 -0.019 -7.730 297 HG3 ARG 41 HG3 ARG 41 21.306 -0.375 -6.028 298 HD2 ARG 41 HD2 ARG 41 23.434 0.219 -8.081 299 HD3 ARG 41 HD3 ARG 41 22.786 1.388 -6.931 300 HE ARG 41 HE ARG 41 23.791 -0.951 -5.642 301 HH11 ARG 41 HH11 ARG 41 24.715 2.082 -7.079 302 HH12 ARG 41 HH12 ARG 41 26.167 2.230 -6.146 303 HH21 ARG 41 HH21 ARG 41 25.700 -0.767 -4.407 304 HH22 ARG 41 HH22 ARG 41 26.727 0.609 -4.627 305 H SER 42 H SER 42 24.458 -3.139 -9.862 306 HA SER 42 HA SER 42 25.248 -5.210 -10.376 307 HB2 SER 42 HB2 SER 42 24.564 -5.321 -7.748 308 HB3 SER 42 HB3 SER 42 23.575 -6.629 -8.397 309 HG SER 42 HG SER 42 25.498 -7.559 -7.946 310 H GLY 43 H GLY 43 22.827 -4.236 -11.677 311 HA2 GLY 43 HA2 GLY 43 21.603 -5.153 -13.440 312 HA3 GLY 43 HA3 GLY 43 21.998 -6.759 -12.846 313 H ARG 44 H ARG 44 20.838 -4.694 -10.423 314 HA ARG 44 HA ARG 44 18.151 -5.882 -10.661 315 HB2 ARG 44 HB2 ARG 44 19.692 -5.197 -8.151 316 HB3 ARG 44 HB3 ARG 44 18.040 -5.799 -8.191 317 HG2 ARG 44 HG2 ARG 44 20.350 -7.322 -9.360 318 HG3 ARG 44 HG3 ARG 44 19.840 -7.488 -7.679 319 HD2 ARG 44 HD2 ARG 44 17.678 -8.267 -8.343 320 HD3 ARG 44 HD3 ARG 44 18.008 -7.895 -10.034 321 HE ARG 44 HE ARG 44 19.954 -9.677 -9.326 322 HH11 ARG 44 HH11 ARG 44 16.473 -9.665 -9.258 323 HH12 ARG 44 HH12 ARG 44 16.333 -11.377 -9.483 324 HH21 ARG 44 HH21 ARG 44 19.782 -11.932 -9.623 325 HH22 ARG 44 HH22 ARG 44 18.215 -12.666 -9.690 326 HA PRO 45 HA PRO 45 16.683 -1.720 -10.897 327 HB2 PRO 45 HB2 PRO 45 14.055 -2.244 -10.461 328 HB3 PRO 45 HB3 PRO 45 14.864 -2.597 -11.993 329 HG2 PRO 45 HG2 PRO 45 14.219 -4.439 -9.722 330 HG3 PRO 45 HG3 PRO 45 14.051 -4.711 -11.467 331 HD2 PRO 45 HD2 PRO 45 16.130 -5.688 -10.033 332 HD3 PRO 45 HD3 PRO 45 16.287 -5.201 -11.733 333 H THR 46 H THR 46 17.717 -0.948 -8.981 334 HA THR 46 HA THR 46 16.120 -1.129 -6.520 335 HB THR 46 HB THR 46 18.991 -0.253 -6.895 336 HG1 THR 46 HG1 THR 46 18.164 -2.625 -6.937 337 HG21 THR 46 HG21 THR 46 17.334 -0.559 -4.388 338 HG22 THR 46 HG22 THR 46 17.984 0.944 -5.043 339 HG23 THR 46 HG23 THR 46 19.077 -0.292 -4.421 340 H CYS 47 H CYS 47 15.125 0.611 -5.696 341 HA CYS 47 HA CYS 47 15.420 3.150 -7.132 342 HB2 CYS 47 HB2 CYS 47 13.161 1.784 -6.503 343 HB3 CYS 47 HB3 CYS 47 13.275 2.868 -5.120 344 H VAL 48 H VAL 48 16.594 4.701 -6.241 345 HA VAL 48 HA VAL 48 16.985 4.679 -3.322 346 HB VAL 48 HB VAL 48 18.743 6.199 -5.220 347 HG11 VAL 48 HG11 VAL 48 18.798 5.354 -2.389 348 HG12 VAL 48 HG12 VAL 48 20.336 5.312 -3.254 349 HG13 VAL 48 HG13 VAL 48 19.422 6.817 -3.151 350 HG21 VAL 48 HG21 VAL 48 18.652 3.264 -4.772 351 HG22 VAL 48 HG22 VAL 48 19.095 4.175 -6.216 352 HG23 VAL 48 HG23 VAL 48 20.234 4.037 -4.877 353 H CYS 49 H CYS 49 16.814 6.593 -2.149 354 HA CYS 49 HA CYS 49 15.429 8.785 -3.551 355 HB2 CYS 49 HB2 CYS 49 14.732 7.294 -1.185 356 HB3 CYS 49 HB3 CYS 49 14.921 8.999 -0.788 357 H TYR 50 H TYR 50 15.668 10.934 -2.442 358 HA TYR 50 HA TYR 50 18.092 11.312 -0.903 359 HB2 TYR 50 HB2 TYR 50 17.802 12.467 -3.684 360 HB3 TYR 50 HB3 TYR 50 19.037 12.948 -2.526 361 HD1 TYR 50 HD1 TYR 50 20.883 11.451 -1.979 362 HD2 TYR 50 HD2 TYR 50 17.926 10.336 -4.828 363 HE1 TYR 50 HE1 TYR 50 22.344 9.641 -2.778 364 HE2 TYR 50 HE2 TYR 50 19.378 8.522 -5.634 365 HH TYR 50 HH TYR 50 22.682 8.225 -4.618 366 H ARG 51 H ARG 51 18.442 13.776 -0.575 367 HA ARG 51 HA ARG 51 17.633 15.636 0.468 368 HB2 ARG 51 HB2 ARG 51 15.573 15.471 -1.740 369 HB3 ARG 51 HB3 ARG 51 15.951 16.899 -0.787 370 HG2 ARG 51 HG2 ARG 51 18.401 16.237 -1.766 371 HG3 ARG 51 HG3 ARG 51 17.340 15.747 -3.088 372 HD2 ARG 51 HD2 ARG 51 16.810 17.868 -3.608 373 HD3 ARG 51 HD3 ARG 51 16.692 18.354 -1.918 374 HE ARG 51 HE ARG 51 18.816 19.165 -2.065 375 HH11 ARG 51 HH11 ARG 51 18.333 16.852 -4.622 376 HH12 ARG 51 HH12 ARG 51 19.873 17.148 -5.358 377 HH21 ARG 51 HH21 ARG 51 20.847 19.563 -3.024 378 HH22 ARG 51 HH22 ARG 51 21.303 18.689 -4.448 379 H CYS 52 H CYS 52 16.589 13.022 1.337 380 HA CYS 52 HA CYS 52 13.826 13.307 1.974 381 HB2 CYS 52 HB2 CYS 52 15.519 11.203 1.955 382 HB3 CYS 52 HB3 CYS 52 15.513 11.567 3.678 383 H ALA 53 H ALA 53 13.208 13.043 4.417 384 HA ALA 53 HA ALA 53 14.502 15.268 5.842 385 HB1 ALA 53 HB1 ALA 53 12.198 14.925 7.189 386 HB2 ALA 53 HB2 ALA 53 12.365 15.986 5.789 387 HB3 ALA 53 HB3 ALA 53 11.709 14.361 5.591 388 H ASN 54 H ASN 54 13.550 11.915 6.082 389 HA ASN 54 HA ASN 54 14.347 11.767 8.880 390 HB2 ASN 54 HB2 ASN 54 12.370 10.496 7.600 391 HB3 ASN 54 HB3 ASN 54 13.651 9.315 7.346 392 HD21 ASN 54 HD21 ASN 54 13.634 7.770 8.791 393 HD22 ASN 54 HD22 ASN 54 13.205 7.929 10.458 394 H GLY 55 H GLY 55 16.194 12.221 6.485 395 HA2 GLY 55 HA2 GLY 55 18.426 10.837 7.487 396 HA3 GLY 55 HA3 GLY 55 17.809 9.958 6.096 397 H GLY 56 H GLY 56 16.890 12.408 4.756 398 HA2 GLY 56 HA2 GLY 56 17.695 13.900 3.209 399 HA3 GLY 56 HA3 GLY 56 18.940 14.273 4.393 400 H GLY 57 H GLY 57 18.128 11.590 2.177 401 HA2 GLY 57 HA2 GLY 57 20.170 11.753 0.405 402 HA3 GLY 57 HA3 GLY 57 20.926 10.986 1.794 403 H ASP 58 H ASP 58 21.291 9.015 0.843 404 HA ASP 58 HA ASP 58 19.413 7.583 -0.689 405 HB2 ASP 58 HB2 ASP 58 20.886 5.587 -0.079 406 HB3 ASP 58 HB3 ASP 58 21.676 6.930 -0.901 407 H ILE 59 H ILE 59 17.437 7.215 0.143 408 HA ILE 59 HA ILE 59 17.299 5.589 2.583 409 HB ILE 59 HB ILE 59 15.307 7.780 2.031 410 HG12 ILE 59 HG12 ILE 59 17.731 8.558 2.470 411 HG13 ILE 59 HG13 ILE 59 16.449 9.250 3.457 412 HG21 ILE 59 HG21 ILE 59 14.313 6.246 3.451 413 HG22 ILE 59 HG22 ILE 59 15.827 5.872 4.273 414 HG23 ILE 59 HG23 ILE 59 15.014 7.407 4.579 415 HD11 ILE 59 HD11 ILE 59 17.820 6.831 4.478 416 HD12 ILE 59 HD12 ILE 59 18.700 8.360 4.501 417 HD13 ILE 59 HD13 ILE 59 17.160 8.217 5.347 418 HA PRO 60 HA PRO 60 14.928 3.243 -0.426 419 HB2 PRO 60 HB2 PRO 60 14.763 1.008 1.106 420 HB3 PRO 60 HB3 PRO 60 16.204 1.429 0.174 421 HG2 PRO 60 HG2 PRO 60 15.647 1.835 3.087 422 HG3 PRO 60 HG3 PRO 60 17.130 1.265 2.301 423 HD2 PRO 60 HD2 PRO 60 16.825 3.814 3.162 424 HD3 PRO 60 HD3 PRO 60 17.802 3.397 1.739 425 H LEU 61 H LEU 61 12.778 2.643 -0.600 426 HA LEU 61 HA LEU 61 10.877 3.969 0.893 427 HB2 LEU 61 HB2 LEU 61 10.911 2.012 -1.197 428 HB3 LEU 61 HB3 LEU 61 9.652 1.605 -0.032 429 HG LEU 61 HG LEU 61 8.580 3.734 -0.372 430 HD11 LEU 61 HD11 LEU 61 10.503 5.153 -0.666 431 HD12 LEU 61 HD12 LEU 61 9.438 5.322 -2.061 432 HD13 LEU 61 HD13 LEU 61 10.906 4.354 -2.186 433 HD21 LEU 61 HD21 LEU 61 9.289 2.165 -2.823 434 HD22 LEU 61 HD22 LEU 61 8.225 3.568 -2.921 435 HD23 LEU 61 HD23 LEU 61 7.778 2.191 -1.913 436 H GLY 62 H GLY 62 12.567 1.074 1.657 437 HA2 GLY 62 HA2 GLY 62 10.629 0.116 3.575 438 HA3 GLY 62 HA3 GLY 62 12.236 -0.537 3.298 439 H ALA 63 H ALA 63 13.587 2.009 3.646 440 HA ALA 63 HA ALA 63 13.785 1.955 6.519 441 HB1 ALA 63 HB1 ALA 63 15.850 2.152 5.444 442 HB2 ALA 63 HB2 ALA 63 15.266 3.413 4.356 443 HB3 ALA 63 HB3 ALA 63 15.528 3.773 6.062 444 H LEU 64 H LEU 64 12.223 3.915 4.139 445 HA LEU 64 HA LEU 64 11.901 6.219 5.832 446 HB2 LEU 64 HB2 LEU 64 11.319 5.484 3.088 447 HB3 LEU 64 HB3 LEU 64 9.991 6.375 3.828 448 HG LEU 64 HG LEU 64 12.812 7.404 3.895 449 HD11 LEU 64 HD11 LEU 64 12.683 8.303 1.822 450 HD12 LEU 64 HD12 LEU 64 10.927 8.451 1.872 451 HD13 LEU 64 HD13 LEU 64 11.670 6.887 1.538 452 HD21 LEU 64 HD21 LEU 64 11.831 8.953 5.151 453 HD22 LEU 64 HD22 LEU 64 10.228 8.294 4.824 454 HD23 LEU 64 HD23 LEU 64 10.945 9.462 3.714 455 H ILE 65 H ILE 65 10.587 3.220 5.938 456 HA ILE 65 HA ILE 65 7.840 3.891 6.445 457 HB ILE 65 HB ILE 65 9.234 1.335 7.226 458 HG12 ILE 65 HG12 ILE 65 8.014 2.114 4.570 459 HG13 ILE 65 HG13 ILE 65 9.703 1.727 4.879 460 HG21 ILE 65 HG21 ILE 65 7.218 0.605 7.812 461 HG22 ILE 65 HG22 ILE 65 6.634 2.257 7.620 462 HG23 ILE 65 HG23 ILE 65 6.521 1.121 6.277 463 HD11 ILE 65 HD11 ILE 65 7.360 -0.152 5.003 464 HD12 ILE 65 HD12 ILE 65 8.666 -0.141 3.818 465 HD13 ILE 65 HD13 ILE 65 9.001 -0.570 5.495 466 H LYS 66 H LYS 66 6.790 4.046 8.395 467 HA LYS 66 HA LYS 66 8.406 4.831 10.646 468 HB2 LYS 66 HB2 LYS 66 5.409 4.507 10.620 469 HB3 LYS 66 HB3 LYS 66 6.378 5.540 11.663 470 HG2 LYS 66 HG2 LYS 66 6.103 5.905 8.688 471 HG3 LYS 66 HG3 LYS 66 5.150 6.765 9.899 472 HD2 LYS 66 HD2 LYS 66 6.767 8.284 10.039 473 HD3 LYS 66 HD3 LYS 66 7.851 7.035 10.656 474 HE2 LYS 66 HE2 LYS 66 8.341 6.424 8.271 475 HE3 LYS 66 HE3 LYS 66 7.431 7.854 7.786 476 HZ1 LYS 66 HZ1 LYS 66 9.001 9.265 8.720 477 HZ2 LYS 66 HZ2 LYS 66 9.950 8.055 8.016 478 HZ3 LYS 66 HZ3 LYS 66 9.682 8.054 9.686 479 H ARG 67 H ARG 67 7.570 1.895 9.513 480 HA ARG 67 HA ARG 67 7.349 0.727 12.210 481 HB2 ARG 67 HB2 ARG 67 6.231 -0.174 9.565 482 HB3 ARG 67 HB3 ARG 67 6.425 -1.293 10.908 483 HG2 ARG 67 HG2 ARG 67 4.230 -0.613 11.121 484 HG3 ARG 67 HG3 ARG 67 5.072 0.449 12.251 485 HD2 ARG 67 HD2 ARG 67 4.246 2.206 11.177 486 HD3 ARG 67 HD3 ARG 67 5.131 1.716 9.733 487 HE ARG 67 HE ARG 67 2.703 0.265 9.991 488 HH11 ARG 67 HH11 ARG 67 3.994 3.366 9.074 489 HH12 ARG 67 HH12 ARG 67 2.690 3.735 7.995 490 HH21 ARG 67 HH21 ARG 67 0.981 0.740 8.573 491 HH22 ARG 67 HH22 ARG 67 0.976 2.241 7.711 492 H GLY 68 H GLY 68 9.607 1.394 10.075 493 HA2 GLY 68 HA2 GLY 68 11.817 0.498 10.328 494 HA3 GLY 68 HA3 GLY 68 11.102 -1.072 10.662 Start of MODEL 10 1 H MET 1 H MET 1 5.004 2.181 -4.070 2 HA MET 1 HA MET 1 3.800 0.626 -2.626 3 HB2 MET 1 HB2 MET 1 1.554 1.513 -4.421 4 HB3 MET 1 HB3 MET 1 1.457 0.013 -3.507 5 HG2 MET 1 HG2 MET 1 1.673 1.210 -1.430 6 HG3 MET 1 HG3 MET 1 1.925 2.725 -2.294 7 HE1 MET 1 HE1 MET 1 -0.858 0.291 -0.815 8 HE2 MET 1 HE2 MET 1 -2.010 0.351 -2.149 9 HE3 MET 1 HE3 MET 1 -0.399 -0.322 -2.405 10 H ASP 2 H ASP 2 5.730 -0.034 -4.150 11 HA ASP 2 HA ASP 2 4.767 -2.338 -5.666 12 HB2 ASP 2 HB2 ASP 2 5.711 -0.009 -6.934 13 HB3 ASP 2 HB3 ASP 2 7.019 -1.183 -7.048 14 H ILE 3 H ILE 3 6.674 -3.773 -6.299 15 HA ILE 3 HA ILE 3 8.242 -4.223 -3.924 16 HB ILE 3 HB ILE 3 8.620 -5.756 -6.471 17 HG12 ILE 3 HG12 ILE 3 6.712 -7.192 -5.132 18 HG13 ILE 3 HG13 ILE 3 6.164 -5.541 -4.867 19 HG21 ILE 3 HG21 ILE 3 8.626 -7.583 -4.545 20 HG22 ILE 3 HG22 ILE 3 10.060 -6.639 -4.948 21 HG23 ILE 3 HG23 ILE 3 9.060 -6.179 -3.570 22 HD11 ILE 3 HD11 ILE 3 5.524 -5.286 -6.993 23 HD12 ILE 3 HD12 ILE 3 6.927 -6.148 -7.628 24 HD13 ILE 3 HD13 ILE 3 5.538 -7.049 -7.020 25 H ASP 4 H ASP 4 10.592 -4.687 -4.072 26 HA ASP 4 HA ASP 4 11.930 -2.487 -5.364 27 HB2 ASP 4 HB2 ASP 4 12.953 -4.743 -3.631 28 HB3 ASP 4 HB3 ASP 4 13.967 -3.444 -4.252 29 H PHE 5 H PHE 5 11.018 -5.513 -6.367 30 HA PHE 5 HA PHE 5 13.358 -6.109 -7.961 31 HB2 PHE 5 HB2 PHE 5 11.977 -7.914 -6.963 32 HB3 PHE 5 HB3 PHE 5 10.631 -7.418 -7.984 33 HD1 PHE 5 HD1 PHE 5 10.272 -8.681 -9.855 34 HD2 PHE 5 HD2 PHE 5 14.247 -8.262 -8.390 35 HE1 PHE 5 HE1 PHE 5 11.085 -10.160 -11.646 36 HE2 PHE 5 HE2 PHE 5 15.066 -9.739 -10.179 37 HZ PHE 5 HZ PHE 5 13.484 -10.690 -11.810 38 H SER 6 H SER 6 10.850 -3.980 -8.243 39 HA SER 6 HA SER 6 11.424 -3.430 -10.987 40 HB2 SER 6 HB2 SER 6 8.879 -3.660 -11.579 41 HB3 SER 6 HB3 SER 6 9.926 -5.077 -11.653 42 HG SER 6 HG SER 6 8.883 -5.931 -10.030 43 H THR 7 H THR 7 11.796 -1.333 -10.494 44 HA THR 7 HA THR 7 9.542 0.383 -10.102 45 HB THR 7 HB THR 7 11.378 1.114 -7.993 46 HG1 THR 7 HG1 THR 7 11.719 -0.840 -7.240 47 HG21 THR 7 HG21 THR 7 9.472 1.845 -7.067 48 HG22 THR 7 HG22 THR 7 8.690 0.272 -7.232 49 HG23 THR 7 HG23 THR 7 8.705 1.397 -8.590 50 H CYS 8 H CYS 8 11.883 -0.082 -11.886 51 HA CYS 8 HA CYS 8 12.828 2.695 -11.934 52 HB2 CYS 8 HB2 CYS 8 14.519 0.970 -10.960 53 HB3 CYS 8 HB3 CYS 8 14.705 0.460 -12.635 54 H ALA 9 H ALA 9 13.557 3.411 -14.034 55 HA ALA 9 HA ALA 9 11.886 2.470 -16.136 56 HB1 ALA 9 HB1 ALA 9 14.223 4.316 -16.511 57 HB2 ALA 9 HB2 ALA 9 12.706 4.258 -17.409 58 HB3 ALA 9 HB3 ALA 9 12.726 4.849 -15.748 59 H ARG 10 H ARG 10 14.893 1.455 -14.986 60 HA ARG 10 HA ARG 10 15.840 0.468 -17.554 61 HB2 ARG 10 HB2 ARG 10 17.045 -0.019 -14.829 62 HB3 ARG 10 HB3 ARG 10 17.827 -0.200 -16.394 63 HG2 ARG 10 HG2 ARG 10 16.867 2.411 -15.243 64 HG3 ARG 10 HG3 ARG 10 18.531 1.825 -15.185 65 HD2 ARG 10 HD2 ARG 10 17.678 1.629 -17.867 66 HD3 ARG 10 HD3 ARG 10 17.178 3.216 -17.285 67 HE ARG 10 HE ARG 10 19.861 2.315 -17.767 68 HH11 ARG 10 HH11 ARG 10 17.874 4.544 -15.977 69 HH12 ARG 10 HH12 ARG 10 19.149 5.694 -15.741 70 HH21 ARG 10 HH21 ARG 10 21.547 3.820 -17.463 71 HH22 ARG 10 HH22 ARG 10 21.238 5.281 -16.587 72 H MET 11 H MET 11 13.393 -0.505 -15.906 73 HA MET 11 HA MET 11 13.919 -3.176 -15.146 74 HB2 MET 11 HB2 MET 11 11.436 -1.616 -15.764 75 HB3 MET 11 HB3 MET 11 11.339 -3.357 -15.540 76 HG2 MET 11 HG2 MET 11 12.158 -3.195 -13.312 77 HG3 MET 11 HG3 MET 11 12.555 -1.491 -13.523 78 HE1 MET 11 HE1 MET 11 9.031 -2.625 -15.096 79 HE2 MET 11 HE2 MET 11 9.701 -3.944 -14.136 80 HE3 MET 11 HE3 MET 11 8.252 -3.101 -13.587 81 H ASP 12 H ASP 12 11.781 -2.241 -17.827 82 HA ASP 12 HA ASP 12 13.225 -3.890 -19.705 83 HB2 ASP 12 HB2 ASP 12 11.389 -5.220 -18.189 84 HB3 ASP 12 HB3 ASP 12 10.402 -4.721 -19.560 85 H VAL 13 H VAL 13 10.330 -2.013 -18.964 86 HA VAL 13 HA VAL 13 10.200 -1.179 -21.786 87 HB VAL 13 HB VAL 13 8.121 -2.154 -21.120 88 HG11 VAL 13 HG11 VAL 13 7.003 -0.609 -19.143 89 HG12 VAL 13 HG12 VAL 13 7.701 -2.215 -18.925 90 HG13 VAL 13 HG13 VAL 13 8.675 -0.779 -18.611 91 HG21 VAL 13 HG21 VAL 13 8.359 0.437 -22.067 92 HG22 VAL 13 HG22 VAL 13 6.916 -0.575 -22.135 93 HG23 VAL 13 HG23 VAL 13 7.139 0.556 -20.800 94 HA PRO 14 HA PRO 14 11.865 2.513 -19.593 95 HB2 PRO 14 HB2 PRO 14 13.429 3.301 -21.667 96 HB3 PRO 14 HB3 PRO 14 13.949 2.108 -20.470 97 HG2 PRO 14 HG2 PRO 14 12.851 1.676 -23.221 98 HG3 PRO 14 HG3 PRO 14 14.210 0.867 -22.419 99 HD2 PRO 14 HD2 PRO 14 11.753 -0.256 -22.612 100 HD3 PRO 14 HD3 PRO 14 12.830 -0.546 -21.231 101 H ILE 15 H ILE 15 9.939 1.921 -22.308 102 HA ILE 15 HA ILE 15 9.693 4.338 -23.601 103 HB ILE 15 HB ILE 15 7.450 2.435 -22.913 104 HG12 ILE 15 HG12 ILE 15 8.565 2.441 -25.629 105 HG13 ILE 15 HG13 ILE 15 9.704 1.915 -24.394 106 HG21 ILE 15 HG21 ILE 15 7.643 4.616 -24.983 107 HG22 ILE 15 HG22 ILE 15 6.373 3.394 -24.939 108 HG23 ILE 15 HG23 ILE 15 6.538 4.541 -23.610 109 HD11 ILE 15 HD11 ILE 15 7.894 0.323 -25.654 110 HD12 ILE 15 HD12 ILE 15 8.659 -0.032 -24.104 111 HD13 ILE 15 HD13 ILE 15 7.059 0.708 -24.149 112 H LEU 16 H LEU 16 8.519 3.424 -20.443 113 HA LEU 16 HA LEU 16 7.402 6.132 -20.122 114 HB2 LEU 16 HB2 LEU 16 6.459 3.480 -19.118 115 HB3 LEU 16 HB3 LEU 16 6.082 4.946 -18.217 116 HG LEU 16 HG LEU 16 5.378 5.380 -20.936 117 HD11 LEU 16 HD11 LEU 16 3.905 3.008 -19.870 118 HD12 LEU 16 HD12 LEU 16 5.372 2.792 -20.825 119 HD13 LEU 16 HD13 LEU 16 3.984 3.632 -21.518 120 HD21 LEU 16 HD21 LEU 16 4.465 6.195 -18.609 121 HD22 LEU 16 HD22 LEU 16 3.371 4.825 -18.807 122 HD23 LEU 16 HD23 LEU 16 3.409 6.106 -20.019 123 H LYS 17 H LYS 17 9.912 6.240 -19.675 124 HA LYS 17 HA LYS 17 11.001 5.293 -17.293 125 HB2 LYS 17 HB2 LYS 17 11.587 7.828 -18.828 126 HB3 LYS 17 HB3 LYS 17 12.567 7.249 -17.488 127 HG2 LYS 17 HG2 LYS 17 12.350 5.069 -19.202 128 HG3 LYS 17 HG3 LYS 17 12.589 6.462 -20.259 129 HD2 LYS 17 HD2 LYS 17 14.634 7.013 -19.255 130 HD3 LYS 17 HD3 LYS 17 14.306 6.015 -17.837 131 HE2 LYS 17 HE2 LYS 17 14.451 4.004 -19.260 132 HE3 LYS 17 HE3 LYS 17 14.856 5.030 -20.635 133 HZ1 LYS 17 HZ1 LYS 17 16.937 5.396 -19.868 134 HZ2 LYS 17 HZ2 LYS 17 16.690 3.895 -19.128 135 HZ3 LYS 17 HZ3 LYS 17 16.492 5.319 -18.238 136 H LYS 18 H LYS 18 9.095 8.193 -17.935 137 HA LYS 18 HA LYS 18 9.398 9.462 -15.466 138 HB2 LYS 18 HB2 LYS 18 7.884 9.856 -17.803 139 HB3 LYS 18 HB3 LYS 18 6.720 9.798 -16.486 140 HG2 LYS 18 HG2 LYS 18 7.215 12.029 -16.533 141 HG3 LYS 18 HG3 LYS 18 8.382 11.458 -15.338 142 HD2 LYS 18 HD2 LYS 18 10.163 11.767 -16.729 143 HD3 LYS 18 HD3 LYS 18 9.219 11.446 -18.186 144 HE2 LYS 18 HE2 LYS 18 9.970 13.807 -17.971 145 HE3 LYS 18 HE3 LYS 18 8.221 13.623 -18.092 146 HZ1 LYS 18 HZ1 LYS 18 8.970 15.223 -16.369 147 HZ2 LYS 18 HZ2 LYS 18 9.668 13.936 -15.522 148 HZ3 LYS 18 HZ3 LYS 18 7.995 13.979 -15.765 149 H ALA 19 H ALA 19 7.233 6.882 -16.481 150 HA ALA 19 HA ALA 19 5.622 6.888 -14.139 151 HB1 ALA 19 HB1 ALA 19 4.591 4.987 -14.999 152 HB2 ALA 19 HB2 ALA 19 5.121 5.854 -16.441 153 HB3 ALA 19 HB3 ALA 19 6.043 4.469 -15.856 154 H ALA 20 H ALA 20 8.406 4.936 -15.166 155 HA ALA 20 HA ALA 20 8.487 3.297 -12.865 156 HB1 ALA 20 HB1 ALA 20 9.692 3.144 -15.227 157 HB2 ALA 20 HB2 ALA 20 11.007 3.885 -14.313 158 HB3 ALA 20 HB3 ALA 20 10.331 2.342 -13.791 159 H GLN 21 H GLN 21 10.251 6.256 -13.738 160 HA GLN 21 HA GLN 21 11.795 6.376 -11.373 161 HB2 GLN 21 HB2 GLN 21 11.300 8.068 -13.699 162 HB3 GLN 21 HB3 GLN 21 11.541 8.996 -12.225 163 HG2 GLN 21 HG2 GLN 21 13.692 8.115 -11.892 164 HG3 GLN 21 HG3 GLN 21 13.434 6.831 -13.073 165 HE21 GLN 21 HE21 GLN 21 12.626 7.935 -15.276 166 HE22 GLN 21 HE22 GLN 21 13.713 9.144 -15.859 167 H GLY 22 H GLY 22 8.564 7.414 -12.169 168 HA2 GLY 22 HA2 GLY 22 8.088 9.309 -10.194 169 HA3 GLY 22 HA3 GLY 22 6.868 8.232 -10.857 170 H LEU 23 H LEU 23 8.335 5.839 -9.913 171 HA LEU 23 HA LEU 23 7.109 5.660 -7.341 172 HB2 LEU 23 HB2 LEU 23 8.893 3.800 -8.891 173 HB3 LEU 23 HB3 LEU 23 8.240 3.402 -7.303 174 HG LEU 23 HG LEU 23 6.090 4.195 -9.003 175 HD11 LEU 23 HD11 LEU 23 6.248 2.863 -10.868 176 HD12 LEU 23 HD12 LEU 23 7.461 1.807 -10.147 177 HD13 LEU 23 HD13 LEU 23 7.914 3.418 -10.704 178 HD21 LEU 23 HD21 LEU 23 5.129 2.226 -8.249 179 HD22 LEU 23 HD22 LEU 23 6.261 2.622 -6.955 180 HD23 LEU 23 HD23 LEU 23 6.678 1.389 -8.146 181 H CYS 24 H CYS 24 9.803 7.226 -8.184 182 HA CYS 24 HA CYS 24 11.168 6.600 -5.648 183 HB2 CYS 24 HB2 CYS 24 12.198 6.534 -8.289 184 HB3 CYS 24 HB3 CYS 24 12.929 7.919 -7.484 185 H ILE 25 H ILE 25 10.720 9.177 -8.067 186 HA ILE 25 HA ILE 25 11.519 11.277 -6.344 187 HB ILE 25 HB ILE 25 9.772 11.410 -8.805 188 HG12 ILE 25 HG12 ILE 25 12.185 12.382 -9.557 189 HG13 ILE 25 HG13 ILE 25 12.691 11.184 -8.371 190 HG21 ILE 25 HG21 ILE 25 9.555 13.394 -7.404 191 HG22 ILE 25 HG22 ILE 25 11.308 13.580 -7.382 192 HG23 ILE 25 HG23 ILE 25 10.420 13.765 -8.895 193 HD11 ILE 25 HD11 ILE 25 12.118 10.736 -11.031 194 HD12 ILE 25 HD12 ILE 25 12.293 9.513 -9.772 195 HD13 ILE 25 HD13 ILE 25 10.695 10.135 -10.181 196 H THR 26 H THR 26 8.319 10.080 -7.322 197 HA THR 26 HA THR 26 6.918 11.930 -5.637 198 HB THR 26 HB THR 26 6.212 10.002 -7.658 199 HG1 THR 26 HG1 THR 26 5.679 12.280 -7.565 200 HG21 THR 26 HG21 THR 26 4.562 9.941 -5.128 201 HG22 THR 26 HG22 THR 26 5.436 8.589 -5.850 202 HG23 THR 26 HG23 THR 26 4.049 9.289 -6.684 203 H SER 27 H SER 27 7.918 8.559 -5.413 204 HA SER 27 HA SER 27 6.456 7.841 -3.133 205 HB2 SER 27 HB2 SER 27 7.958 6.423 -4.776 206 HB3 SER 27 HB3 SER 27 9.204 6.737 -3.568 207 HG SER 27 HG SER 27 6.908 5.182 -3.401 208 H CYS 28 H CYS 28 9.426 9.634 -3.514 209 HA CYS 28 HA CYS 28 10.246 9.474 -0.786 210 HB2 CYS 28 HB2 CYS 28 11.335 10.451 -3.189 211 HB3 CYS 28 HB3 CYS 28 11.220 11.843 -2.117 212 H SER 29 H SER 29 8.464 11.856 -2.704 213 HA SER 29 HA SER 29 8.272 13.891 -0.820 214 HB2 SER 29 HB2 SER 29 7.435 13.690 -3.331 215 HB3 SER 29 HB3 SER 29 5.904 13.307 -2.545 216 HG SER 29 HG SER 29 7.429 15.572 -1.819 217 H MET 30 H MET 30 6.507 10.885 -1.087 218 HA MET 30 HA MET 30 4.455 11.564 0.774 219 HB2 MET 30 HB2 MET 30 5.345 8.755 0.177 220 HB3 MET 30 HB3 MET 30 3.734 9.334 0.578 221 HG2 MET 30 HG2 MET 30 4.306 10.696 -1.731 222 HG3 MET 30 HG3 MET 30 5.062 9.127 -2.000 223 HE1 MET 30 HE1 MET 30 2.956 7.093 -3.300 224 HE2 MET 30 HE2 MET 30 4.208 7.126 -2.058 225 HE3 MET 30 HE3 MET 30 2.580 6.577 -1.656 226 H GLN 31 H GLN 31 7.728 10.697 1.096 227 HA GLN 31 HA GLN 31 7.337 9.894 3.897 228 HB2 GLN 31 HB2 GLN 31 10.016 9.671 2.650 229 HB3 GLN 31 HB3 GLN 31 9.197 8.582 3.762 230 HG2 GLN 31 HG2 GLN 31 7.653 8.205 1.633 231 HG3 GLN 31 HG3 GLN 31 9.136 8.681 0.807 232 HE21 GLN 31 HE21 GLN 31 7.735 6.383 3.057 233 HE22 GLN 31 HE22 GLN 31 8.896 5.131 2.795 234 H ASN 32 H ASN 32 7.414 12.660 2.617 235 HA ASN 32 HA ASN 32 8.101 14.739 3.235 236 HB2 ASN 32 HB2 ASN 32 9.589 13.585 5.574 237 HB3 ASN 32 HB3 ASN 32 8.725 15.116 5.455 238 HD21 ASN 32 HD21 ASN 32 6.309 14.360 4.487 239 HD22 ASN 32 HD22 ASN 32 5.506 13.337 5.624 240 H CYS 33 H CYS 33 9.643 13.318 1.378 241 HA CYS 33 HA CYS 33 12.396 14.118 2.042 242 HB2 CYS 33 HB2 CYS 33 11.338 12.122 0.035 243 HB3 CYS 33 HB3 CYS 33 13.023 12.627 0.106 244 H GLY 34 H GLY 34 13.562 14.413 -0.340 245 HA2 GLY 34 HA2 GLY 34 12.105 16.699 -1.497 246 HA3 GLY 34 HA3 GLY 34 13.853 16.516 -1.489 247 H THR 35 H THR 35 14.431 14.207 -2.552 248 HA THR 35 HA THR 35 12.833 13.782 -4.956 249 HB THR 35 HB THR 35 14.561 15.545 -5.478 250 HG1 THR 35 HG1 THR 35 14.986 14.606 -7.461 251 HG21 THR 35 HG21 THR 35 16.585 13.341 -5.494 252 HG22 THR 35 HG22 THR 35 16.300 14.261 -4.017 253 HG23 THR 35 HG23 THR 35 16.831 15.086 -5.482 254 H GLY 36 H GLY 36 14.154 12.035 -6.356 255 HA2 GLY 36 HA2 GLY 36 15.682 10.140 -4.864 256 HA3 GLY 36 HA3 GLY 36 14.007 9.631 -5.014 257 H SER 37 H SER 37 16.876 9.026 -6.255 258 HA SER 37 HA SER 37 15.852 8.680 -8.998 259 HB2 SER 37 HB2 SER 37 18.073 10.127 -8.265 260 HB3 SER 37 HB3 SER 37 18.768 8.561 -8.681 261 HG SER 37 HG SER 37 17.636 10.467 -10.296 262 H CYS 38 H CYS 38 16.214 6.724 -10.032 263 HA CYS 38 HA CYS 38 17.072 4.529 -8.264 264 HB2 CYS 38 HB2 CYS 38 15.558 3.080 -9.409 265 HB3 CYS 38 HB3 CYS 38 14.665 4.547 -9.021 266 H LYS 39 H LYS 39 18.543 3.047 -8.978 267 HA LYS 39 HA LYS 39 19.530 3.257 -11.725 268 HB2 LYS 39 HB2 LYS 39 21.383 3.272 -9.338 269 HB3 LYS 39 HB3 LYS 39 21.838 3.394 -11.033 270 HG2 LYS 39 HG2 LYS 39 20.083 5.438 -9.716 271 HG3 LYS 39 HG3 LYS 39 21.844 5.532 -9.654 272 HD2 LYS 39 HD2 LYS 39 21.753 5.307 -12.207 273 HD3 LYS 39 HD3 LYS 39 20.036 5.688 -12.048 274 HE2 LYS 39 HE2 LYS 39 20.557 7.845 -11.993 275 HE3 LYS 39 HE3 LYS 39 21.426 7.571 -10.484 276 HZ1 LYS 39 HZ1 LYS 39 23.100 6.715 -12.511 277 HZ2 LYS 39 HZ2 LYS 39 23.272 8.103 -11.559 278 HZ3 LYS 39 HZ3 LYS 39 22.462 8.190 -13.042 279 H LYS 40 H LYS 40 20.389 1.371 -12.555 280 HA LYS 40 HA LYS 40 19.515 -1.053 -11.385 281 HB2 LYS 40 HB2 LYS 40 20.842 -0.212 -13.849 282 HB3 LYS 40 HB3 LYS 40 21.397 -1.780 -13.278 283 HG2 LYS 40 HG2 LYS 40 18.532 -1.011 -13.799 284 HG3 LYS 40 HG3 LYS 40 19.550 -1.999 -14.849 285 HD2 LYS 40 HD2 LYS 40 19.803 -3.612 -12.958 286 HD3 LYS 40 HD3 LYS 40 18.619 -2.662 -12.058 287 HE2 LYS 40 HE2 LYS 40 18.161 -4.030 -14.708 288 HE3 LYS 40 HE3 LYS 40 17.570 -4.581 -13.141 289 HZ1 LYS 40 HZ1 LYS 40 16.335 -2.821 -14.899 290 HZ2 LYS 40 HZ2 LYS 40 16.791 -1.905 -13.553 291 HZ3 LYS 40 HZ3 LYS 40 15.815 -3.272 -13.354 292 H ARG 41 H ARG 41 20.395 -1.936 -9.636 293 HA ARG 41 HA ARG 41 23.289 -1.681 -9.210 294 HB2 ARG 41 HB2 ARG 41 21.095 -2.467 -7.283 295 HB3 ARG 41 HB3 ARG 41 22.801 -2.334 -6.878 296 HG2 ARG 41 HG2 ARG 41 21.084 -0.066 -7.864 297 HG3 ARG 41 HG3 ARG 41 21.483 -0.380 -6.174 298 HD2 ARG 41 HD2 ARG 41 23.517 0.111 -8.343 299 HD3 ARG 41 HD3 ARG 41 22.909 1.355 -7.251 300 HE ARG 41 HE ARG 41 24.844 -0.676 -6.654 301 HH11 ARG 41 HH11 ARG 41 22.414 1.425 -5.312 302 HH12 ARG 41 HH12 ARG 41 23.110 1.434 -3.726 303 HH21 ARG 41 HH21 ARG 41 25.770 -0.673 -4.569 304 HH22 ARG 41 HH22 ARG 41 25.020 0.240 -3.305 305 H SER 42 H SER 42 24.426 -3.334 -9.974 306 HA SER 42 HA SER 42 25.095 -5.442 -10.510 307 HB2 SER 42 HB2 SER 42 24.359 -5.486 -7.852 308 HB3 SER 42 HB3 SER 42 23.455 -6.842 -8.526 309 HG SER 42 HG SER 42 25.501 -7.534 -9.449 310 H GLY 43 H GLY 43 22.650 -4.369 -11.731 311 HA2 GLY 43 HA2 GLY 43 21.357 -5.257 -13.464 312 HA3 GLY 43 HA3 GLY 43 21.695 -6.872 -12.859 313 H ARG 44 H ARG 44 20.736 -4.867 -10.352 314 HA ARG 44 HA ARG 44 17.986 -5.907 -10.522 315 HB2 ARG 44 HB2 ARG 44 19.593 -5.182 -8.065 316 HB3 ARG 44 HB3 ARG 44 17.944 -5.794 -8.066 317 HG2 ARG 44 HG2 ARG 44 20.322 -7.297 -9.138 318 HG3 ARG 44 HG3 ARG 44 19.641 -7.506 -7.523 319 HD2 ARG 44 HD2 ARG 44 17.420 -7.939 -8.769 320 HD3 ARG 44 HD3 ARG 44 18.443 -8.191 -10.183 321 HE ARG 44 HE ARG 44 19.228 -9.715 -7.868 322 HH11 ARG 44 HH11 ARG 44 17.236 -9.628 -10.721 323 HH12 ARG 44 HH12 ARG 44 17.103 -11.351 -10.841 324 HH21 ARG 44 HH21 ARG 44 19.061 -11.986 -8.014 325 HH22 ARG 44 HH22 ARG 44 18.142 -12.691 -9.299 326 HA PRO 45 HA PRO 45 16.644 -1.706 -10.830 327 HB2 PRO 45 HB2 PRO 45 14.011 -2.140 -10.334 328 HB3 PRO 45 HB3 PRO 45 14.778 -2.550 -11.872 329 HG2 PRO 45 HG2 PRO 45 14.124 -4.323 -9.551 330 HG3 PRO 45 HG3 PRO 45 13.913 -4.627 -11.286 331 HD2 PRO 45 HD2 PRO 45 15.990 -5.636 -9.871 332 HD3 PRO 45 HD3 PRO 45 16.128 -5.190 -11.584 333 H THR 46 H THR 46 17.801 -1.045 -8.898 334 HA THR 46 HA THR 46 16.263 -1.120 -6.408 335 HB THR 46 HB THR 46 19.104 -0.216 -6.918 336 HG1 THR 46 HG1 THR 46 17.950 -2.590 -5.871 337 HG21 THR 46 HG21 THR 46 19.249 -0.295 -4.406 338 HG22 THR 46 HG22 THR 46 17.490 -0.408 -4.378 339 HG23 THR 46 HG23 THR 46 18.271 1.020 -5.055 340 H CYS 47 H CYS 47 15.337 0.637 -5.518 341 HA CYS 47 HA CYS 47 15.517 3.151 -7.025 342 HB2 CYS 47 HB2 CYS 47 13.300 1.777 -6.297 343 HB3 CYS 47 HB3 CYS 47 13.463 2.856 -4.915 344 H VAL 48 H VAL 48 16.711 4.726 -6.207 345 HA VAL 48 HA VAL 48 17.240 4.744 -3.311 346 HB VAL 48 HB VAL 48 18.863 6.277 -5.318 347 HG11 VAL 48 HG11 VAL 48 20.565 5.453 -3.406 348 HG12 VAL 48 HG12 VAL 48 19.646 6.957 -3.310 349 HG13 VAL 48 HG13 VAL 48 19.069 5.514 -2.475 350 HG21 VAL 48 HG21 VAL 48 18.789 3.361 -4.900 351 HG22 VAL 48 HG22 VAL 48 19.330 4.295 -6.294 352 HG23 VAL 48 HG23 VAL 48 20.392 4.095 -4.901 353 H CYS 49 H CYS 49 17.115 6.677 -2.150 354 HA CYS 49 HA CYS 49 15.585 8.813 -3.486 355 HB2 CYS 49 HB2 CYS 49 15.124 7.362 -1.023 356 HB3 CYS 49 HB3 CYS 49 15.237 9.092 -0.720 357 H TYR 50 H TYR 50 15.855 10.988 -2.456 358 HA TYR 50 HA TYR 50 18.346 11.460 -1.065 359 HB2 TYR 50 HB2 TYR 50 17.906 12.519 -3.864 360 HB3 TYR 50 HB3 TYR 50 19.196 13.039 -2.785 361 HD1 TYR 50 HD1 TYR 50 21.060 11.539 -2.260 362 HD2 TYR 50 HD2 TYR 50 18.001 10.383 -4.982 363 HE1 TYR 50 HE1 TYR 50 22.488 9.712 -3.080 364 HE2 TYR 50 HE2 TYR 50 19.420 8.553 -5.809 365 HH TYR 50 HH TYR 50 22.377 7.665 -4.235 366 H ARG 51 H ARG 51 18.672 13.944 -0.854 367 HA ARG 51 HA ARG 51 17.884 15.832 0.152 368 HB2 ARG 51 HB2 ARG 51 15.724 15.531 -1.942 369 HB3 ARG 51 HB3 ARG 51 16.093 17.003 -1.055 370 HG2 ARG 51 HG2 ARG 51 18.520 16.387 -2.119 371 HG3 ARG 51 HG3 ARG 51 17.419 15.818 -3.376 372 HD2 ARG 51 HD2 ARG 51 16.772 17.902 -3.928 373 HD3 ARG 51 HD3 ARG 51 16.759 18.449 -2.251 374 HE ARG 51 HE ARG 51 18.889 18.735 -4.140 375 HH11 ARG 51 HH11 ARG 51 18.129 18.431 -0.757 376 HH12 ARG 51 HH12 ARG 51 19.567 19.237 -0.227 377 HH21 ARG 51 HH21 ARG 51 20.787 19.799 -3.455 378 HH22 ARG 51 HH22 ARG 51 21.078 20.016 -1.762 379 H CYS 52 H CYS 52 16.962 13.257 1.210 380 HA CYS 52 HA CYS 52 14.226 13.516 1.982 381 HB2 CYS 52 HB2 CYS 52 15.947 11.439 1.947 382 HB3 CYS 52 HB3 CYS 52 16.042 11.874 3.650 383 H ALA 53 H ALA 53 13.735 13.364 4.452 384 HA ALA 53 HA ALA 53 15.103 15.636 5.727 385 HB1 ALA 53 HB1 ALA 53 12.925 16.323 5.597 386 HB2 ALA 53 HB2 ALA 53 12.283 14.687 5.748 387 HB3 ALA 53 HB3 ALA 53 12.904 15.525 7.170 388 H ASN 54 H ASN 54 14.200 12.298 6.096 389 HA ASN 54 HA ASN 54 15.037 12.244 8.888 390 HB2 ASN 54 HB2 ASN 54 13.044 10.925 7.738 391 HB3 ASN 54 HB3 ASN 54 14.321 9.763 7.388 392 HD21 ASN 54 HD21 ASN 54 11.980 9.570 9.142 393 HD22 ASN 54 HD22 ASN 54 12.599 9.173 10.706 394 H GLY 55 H GLY 55 16.841 12.661 6.458 395 HA2 GLY 55 HA2 GLY 55 19.126 11.399 7.451 396 HA3 GLY 55 HA3 GLY 55 18.489 10.386 6.164 397 H GLY 56 H GLY 56 17.446 12.720 4.681 398 HA2 GLY 56 HA2 GLY 56 18.148 14.127 3.009 399 HA3 GLY 56 HA3 GLY 56 19.478 14.556 4.075 400 H GLY 57 H GLY 57 18.486 11.752 2.095 401 HA2 GLY 57 HA2 GLY 57 20.445 11.804 0.199 402 HA3 GLY 57 HA3 GLY 57 21.223 11.039 1.576 403 H ASP 58 H ASP 58 21.446 9.006 0.760 404 HA ASP 58 HA ASP 58 19.452 7.627 -0.689 405 HB2 ASP 58 HB2 ASP 58 20.839 5.589 -0.121 406 HB3 ASP 58 HB3 ASP 58 21.708 6.895 -0.923 407 H ILE 59 H ILE 59 17.501 7.263 0.165 408 HA ILE 59 HA ILE 59 17.367 5.762 2.675 409 HB ILE 59 HB ILE 59 15.447 8.018 2.147 410 HG12 ILE 59 HG12 ILE 59 17.846 8.811 2.386 411 HG13 ILE 59 HG13 ILE 59 16.708 9.458 3.563 412 HG21 ILE 59 HG21 ILE 59 14.460 6.623 3.687 413 HG22 ILE 59 HG22 ILE 59 16.000 6.141 4.397 414 HG23 ILE 59 HG23 ILE 59 15.331 7.736 4.742 415 HD11 ILE 59 HD11 ILE 59 19.089 8.512 4.240 416 HD12 ILE 59 HD12 ILE 59 17.683 8.380 5.296 417 HD13 ILE 59 HD13 ILE 59 18.177 7.004 4.311 418 HA PRO 60 HA PRO 60 14.796 3.557 -0.323 419 HB2 PRO 60 HB2 PRO 60 14.840 1.214 1.049 420 HB3 PRO 60 HB3 PRO 60 16.159 1.735 -0.006 421 HG2 PRO 60 HG2 PRO 60 15.932 1.917 2.973 422 HG3 PRO 60 HG3 PRO 60 17.324 1.440 1.985 423 HD2 PRO 60 HD2 PRO 60 17.081 3.913 3.061 424 HD3 PRO 60 HD3 PRO 60 17.895 3.622 1.510 425 H LEU 61 H LEU 61 12.660 2.821 -0.275 426 HA LEU 61 HA LEU 61 10.889 4.033 1.450 427 HB2 LEU 61 HB2 LEU 61 10.493 1.445 -0.045 428 HB3 LEU 61 HB3 LEU 61 9.208 2.445 0.629 429 HG LEU 61 HG LEU 61 10.992 3.038 -1.719 430 HD11 LEU 61 HD11 LEU 61 8.483 3.573 -2.495 431 HD12 LEU 61 HD12 LEU 61 8.160 2.330 -1.287 432 HD13 LEU 61 HD13 LEU 61 9.227 1.981 -2.647 433 HD21 LEU 61 HD21 LEU 61 9.541 5.201 -1.730 434 HD22 LEU 61 HD22 LEU 61 10.994 5.123 -0.733 435 HD23 LEU 61 HD23 LEU 61 9.406 4.895 0.001 436 H GLY 62 H GLY 62 12.730 1.149 1.929 437 HA2 GLY 62 HA2 GLY 62 11.099 0.041 4.006 438 HA3 GLY 62 HA3 GLY 62 12.746 -0.428 3.613 439 H ALA 63 H ALA 63 13.875 2.205 3.921 440 HA ALA 63 HA ALA 63 14.239 2.163 6.775 441 HB1 ALA 63 HB1 ALA 63 15.790 4.112 6.262 442 HB2 ALA 63 HB2 ALA 63 16.200 2.556 5.539 443 HB3 ALA 63 HB3 ALA 63 15.432 3.807 4.562 444 H LEU 64 H LEU 64 12.372 3.990 4.507 445 HA LEU 64 HA LEU 64 11.837 6.116 6.428 446 HB2 LEU 64 HB2 LEU 64 11.439 5.711 3.535 447 HB3 LEU 64 HB3 LEU 64 10.198 6.657 4.355 448 HG LEU 64 HG LEU 64 13.047 7.404 4.782 449 HD11 LEU 64 HD11 LEU 64 12.378 6.985 2.242 450 HD12 LEU 64 HD12 LEU 64 13.399 8.332 2.742 451 HD13 LEU 64 HD13 LEU 64 11.682 8.593 2.439 452 HD21 LEU 64 HD21 LEU 64 12.054 9.128 5.758 453 HD22 LEU 64 HD22 LEU 64 10.473 8.472 5.333 454 HD23 LEU 64 HD23 LEU 64 11.301 9.567 4.225 455 H ILE 65 H ILE 65 10.819 3.104 6.229 456 HA ILE 65 HA ILE 65 8.046 3.121 6.042 457 HB ILE 65 HB ILE 65 9.870 1.392 7.707 458 HG12 ILE 65 HG12 ILE 65 8.355 0.862 5.141 459 HG13 ILE 65 HG13 ILE 65 10.076 1.214 5.250 460 HG21 ILE 65 HG21 ILE 65 7.906 -0.150 7.874 461 HG22 ILE 65 HG22 ILE 65 7.758 1.336 8.811 462 HG23 ILE 65 HG23 ILE 65 6.897 1.169 7.281 463 HD11 ILE 65 HD11 ILE 65 9.774 -1.141 4.980 464 HD12 ILE 65 HD12 ILE 65 10.350 -0.832 6.618 465 HD13 ILE 65 HD13 ILE 65 8.648 -1.199 6.336 466 H LYS 66 H LYS 66 6.402 3.640 7.382 467 HA LYS 66 HA LYS 66 7.109 4.698 10.041 468 HB2 LYS 66 HB2 LYS 66 4.868 5.651 8.251 469 HB3 LYS 66 HB3 LYS 66 5.317 6.325 9.812 470 HG2 LYS 66 HG2 LYS 66 7.238 7.313 8.980 471 HG3 LYS 66 HG3 LYS 66 7.300 6.243 7.577 472 HD2 LYS 66 HD2 LYS 66 5.081 8.231 7.994 473 HD3 LYS 66 HD3 LYS 66 6.578 8.646 7.157 474 HE2 LYS 66 HE2 LYS 66 5.820 7.725 5.284 475 HE3 LYS 66 HE3 LYS 66 5.574 6.187 6.110 476 HZ1 LYS 66 HZ1 LYS 66 3.642 8.432 5.926 477 HZ2 LYS 66 HZ2 LYS 66 3.406 7.050 6.872 478 HZ3 LYS 66 HZ3 LYS 66 3.508 6.914 5.189 479 H ARG 67 H ARG 67 5.670 2.194 8.540 480 HA ARG 67 HA ARG 67 3.500 1.942 10.506 481 HB2 ARG 67 HB2 ARG 67 3.988 0.651 7.831 482 HB3 ARG 67 HB3 ARG 67 2.827 -0.011 8.974 483 HG2 ARG 67 HG2 ARG 67 1.569 1.324 7.524 484 HG3 ARG 67 HG3 ARG 67 1.756 2.291 8.988 485 HD2 ARG 67 HD2 ARG 67 3.085 3.822 7.970 486 HD3 ARG 67 HD3 ARG 67 3.828 2.627 6.908 487 HE ARG 67 HE ARG 67 2.220 3.069 5.333 488 HH11 ARG 67 HH11 ARG 67 1.261 4.443 8.385 489 HH12 ARG 67 HH12 ARG 67 -0.079 5.316 7.719 490 HH21 ARG 67 HH21 ARG 67 0.458 4.214 4.444 491 HH22 ARG 67 HH22 ARG 67 -0.535 5.184 5.477 492 H GLY 68 H GLY 68 6.606 1.258 10.448 493 HA2 GLY 68 HA2 GLY 68 6.235 -1.264 11.924 494 HA3 GLY 68 HA3 GLY 68 7.493 -1.139 10.704 Start of MODEL 11 1 H MET 1 H MET 1 2.009 0.587 -1.640 2 HA MET 1 HA MET 1 -0.243 -0.313 -0.003 3 HB2 MET 1 HB2 MET 1 -0.309 0.316 -2.906 4 HB3 MET 1 HB3 MET 1 -1.156 -1.133 -2.383 5 HG2 MET 1 HG2 MET 1 -2.763 0.564 -2.365 6 HG3 MET 1 HG3 MET 1 -2.318 0.330 -0.677 7 HE1 MET 1 HE1 MET 1 -3.344 4.009 -1.529 8 HE2 MET 1 HE2 MET 1 -3.916 2.384 -1.156 9 HE3 MET 1 HE3 MET 1 -3.090 3.333 0.080 10 H ASP 2 H ASP 2 2.096 -1.083 -2.545 11 HA ASP 2 HA ASP 2 2.652 -3.625 -1.287 12 HB2 ASP 2 HB2 ASP 2 2.274 -4.927 -3.378 13 HB3 ASP 2 HB3 ASP 2 0.790 -4.289 -2.676 14 H ILE 3 H ILE 3 4.309 -4.854 -2.796 15 HA ILE 3 HA ILE 3 6.318 -2.849 -3.560 16 HB ILE 3 HB ILE 3 7.000 -5.732 -3.178 17 HG12 ILE 3 HG12 ILE 3 6.632 -3.732 -0.936 18 HG13 ILE 3 HG13 ILE 3 5.640 -5.159 -1.215 19 HG21 ILE 3 HG21 ILE 3 9.020 -4.883 -3.532 20 HG22 ILE 3 HG22 ILE 3 8.381 -3.240 -3.513 21 HG23 ILE 3 HG23 ILE 3 8.874 -4.011 -2.006 22 HD11 ILE 3 HD11 ILE 3 8.122 -4.903 0.201 23 HD12 ILE 3 HD12 ILE 3 7.001 -6.263 0.132 24 HD13 ILE 3 HD13 ILE 3 8.262 -6.097 -1.089 25 H ASP 4 H ASP 4 7.807 -3.486 -5.337 26 HA ASP 4 HA ASP 4 6.803 -5.370 -7.286 27 HB2 ASP 4 HB2 ASP 4 6.831 -2.400 -7.850 28 HB3 ASP 4 HB3 ASP 4 6.696 -3.638 -9.097 29 H PHE 5 H PHE 5 8.478 -6.317 -8.240 30 HA PHE 5 HA PHE 5 11.126 -5.727 -7.666 31 HB2 PHE 5 HB2 PHE 5 10.519 -7.911 -8.474 32 HB3 PHE 5 HB3 PHE 5 9.937 -7.242 -9.995 33 HD1 PHE 5 HD1 PHE 5 11.280 -7.693 -11.786 34 HD2 PHE 5 HD2 PHE 5 13.080 -7.036 -7.985 35 HE1 PHE 5 HE1 PHE 5 13.503 -8.030 -12.785 36 HE2 PHE 5 HE2 PHE 5 15.306 -7.371 -8.978 37 HZ PHE 5 HZ PHE 5 15.520 -7.868 -11.381 38 H SER 6 H SER 6 9.100 -4.634 -10.321 39 HA SER 6 HA SER 6 11.335 -3.189 -11.523 40 HB2 SER 6 HB2 SER 6 9.832 -2.746 -13.379 41 HB3 SER 6 HB3 SER 6 9.758 -4.461 -12.973 42 HG SER 6 HG SER 6 7.674 -3.914 -13.089 43 H THR 7 H THR 7 11.786 -1.227 -10.802 44 HA THR 7 HA THR 7 9.608 0.656 -10.307 45 HB THR 7 HB THR 7 11.242 1.384 -8.273 46 HG1 THR 7 HG1 THR 7 11.663 -0.662 -7.149 47 HG21 THR 7 HG21 THR 7 9.501 -0.462 -7.095 48 HG22 THR 7 HG22 THR 7 8.690 0.070 -8.567 49 HG23 THR 7 HG23 THR 7 9.208 1.254 -7.368 50 H CYS 8 H CYS 8 12.083 0.082 -12.120 51 HA CYS 8 HA CYS 8 12.954 2.883 -12.188 52 HB2 CYS 8 HB2 CYS 8 14.643 1.268 -11.071 53 HB3 CYS 8 HB3 CYS 8 14.914 0.661 -12.701 54 H ALA 9 H ALA 9 13.759 3.577 -14.262 55 HA ALA 9 HA ALA 9 12.245 2.512 -16.427 56 HB1 ALA 9 HB1 ALA 9 14.501 4.416 -16.860 57 HB2 ALA 9 HB2 ALA 9 12.915 4.356 -17.629 58 HB3 ALA 9 HB3 ALA 9 13.071 4.948 -15.976 59 H ARG 10 H ARG 10 15.255 1.709 -15.105 60 HA ARG 10 HA ARG 10 16.329 0.659 -17.605 61 HB2 ARG 10 HB2 ARG 10 17.548 0.440 -14.853 62 HB3 ARG 10 HB3 ARG 10 18.354 0.250 -16.405 63 HG2 ARG 10 HG2 ARG 10 17.177 2.815 -15.353 64 HG3 ARG 10 HG3 ARG 10 18.888 2.384 -15.334 65 HD2 ARG 10 HD2 ARG 10 18.178 1.984 -17.960 66 HD3 ARG 10 HD3 ARG 10 17.233 3.402 -17.508 67 HE ARG 10 HE ARG 10 20.082 3.250 -17.837 68 HH11 ARG 10 HH11 ARG 10 17.472 4.946 -16.277 69 HH12 ARG 10 HH12 ARG 10 18.371 6.415 -16.081 70 HH21 ARG 10 HH21 ARG 10 21.275 5.178 -17.585 71 HH22 ARG 10 HH22 ARG 10 20.533 6.546 -16.826 72 H MET 11 H MET 11 13.897 -0.437 -16.274 73 HA MET 11 HA MET 11 14.699 -3.035 -15.293 74 HB2 MET 11 HB2 MET 11 12.294 -1.433 -15.294 75 HB3 MET 11 HB3 MET 11 11.946 -3.071 -15.829 76 HG2 MET 11 HG2 MET 11 13.576 -2.625 -13.371 77 HG3 MET 11 HG3 MET 11 11.822 -2.468 -13.310 78 HE1 MET 11 HE1 MET 11 14.419 -5.106 -15.032 79 HE2 MET 11 HE2 MET 11 14.853 -4.624 -13.392 80 HE3 MET 11 HE3 MET 11 14.301 -6.269 -13.711 81 H ASP 12 H ASP 12 12.336 -2.212 -17.825 82 HA ASP 12 HA ASP 12 13.697 -3.851 -19.771 83 HB2 ASP 12 HB2 ASP 12 11.985 -5.197 -18.125 84 HB3 ASP 12 HB3 ASP 12 10.909 -4.743 -19.444 85 H VAL 13 H VAL 13 10.821 -2.019 -18.869 86 HA VAL 13 HA VAL 13 10.500 -1.221 -21.687 87 HB VAL 13 HB VAL 13 8.201 -0.446 -20.923 88 HG11 VAL 13 HG11 VAL 13 7.308 -2.416 -21.611 89 HG12 VAL 13 HG12 VAL 13 8.992 -2.742 -22.027 90 HG13 VAL 13 HG13 VAL 13 8.313 -3.379 -20.528 91 HG21 VAL 13 HG21 VAL 13 9.156 -0.925 -18.421 92 HG22 VAL 13 HG22 VAL 13 7.446 -0.814 -18.838 93 HG23 VAL 13 HG23 VAL 13 8.225 -2.392 -18.728 94 HA PRO 14 HA PRO 14 12.169 2.522 -19.560 95 HB2 PRO 14 HB2 PRO 14 13.695 3.303 -21.666 96 HB3 PRO 14 HB3 PRO 14 14.250 2.140 -20.456 97 HG2 PRO 14 HG2 PRO 14 13.127 1.643 -23.187 98 HG3 PRO 14 HG3 PRO 14 14.509 0.871 -22.388 99 HD2 PRO 14 HD2 PRO 14 12.070 -0.297 -22.533 100 HD3 PRO 14 HD3 PRO 14 13.168 -0.546 -21.160 101 H ILE 15 H ILE 15 10.230 1.853 -22.252 102 HA ILE 15 HA ILE 15 9.926 4.253 -23.569 103 HB ILE 15 HB ILE 15 7.660 2.392 -22.850 104 HG12 ILE 15 HG12 ILE 15 8.618 1.939 -25.482 105 HG13 ILE 15 HG13 ILE 15 10.016 1.922 -24.413 106 HG21 ILE 15 HG21 ILE 15 6.611 3.220 -24.869 107 HG22 ILE 15 HG22 ILE 15 6.993 4.565 -23.794 108 HG23 ILE 15 HG23 ILE 15 8.006 4.246 -25.202 109 HD11 ILE 15 HD11 ILE 15 7.910 0.415 -23.222 110 HD12 ILE 15 HD12 ILE 15 8.164 -0.132 -24.880 111 HD13 ILE 15 HD13 ILE 15 9.509 -0.116 -23.740 112 H LEU 16 H LEU 16 8.787 3.338 -20.399 113 HA LEU 16 HA LEU 16 7.544 5.995 -20.114 114 HB2 LEU 16 HB2 LEU 16 6.928 3.475 -18.579 115 HB3 LEU 16 HB3 LEU 16 6.142 5.038 -18.366 116 HG LEU 16 HG LEU 16 5.947 3.220 -20.764 117 HD11 LEU 16 HD11 LEU 16 4.576 2.427 -18.993 118 HD12 LEU 16 HD12 LEU 16 3.522 3.268 -20.129 119 HD13 LEU 16 HD13 LEU 16 4.001 4.053 -18.624 120 HD21 LEU 16 HD21 LEU 16 4.073 5.187 -21.086 121 HD22 LEU 16 HD22 LEU 16 5.624 5.107 -21.922 122 HD23 LEU 16 HD23 LEU 16 5.457 6.085 -20.463 123 H LYS 17 H LYS 17 10.054 6.301 -19.781 124 HA LYS 17 HA LYS 17 11.309 5.526 -17.419 125 HB2 LYS 17 HB2 LYS 17 11.634 7.958 -19.166 126 HB3 LYS 17 HB3 LYS 17 12.643 7.689 -17.751 127 HG2 LYS 17 HG2 LYS 17 13.967 6.345 -18.903 128 HG3 LYS 17 HG3 LYS 17 12.602 5.317 -19.342 129 HD2 LYS 17 HD2 LYS 17 12.085 6.859 -21.204 130 HD3 LYS 17 HD3 LYS 17 13.516 7.805 -20.786 131 HE2 LYS 17 HE2 LYS 17 14.396 5.158 -20.983 132 HE3 LYS 17 HE3 LYS 17 13.300 5.389 -22.344 133 HZ1 LYS 17 HZ1 LYS 17 14.946 7.646 -22.133 134 HZ2 LYS 17 HZ2 LYS 17 14.880 6.510 -23.384 135 HZ3 LYS 17 HZ3 LYS 17 15.937 6.275 -22.084 136 H LYS 18 H LYS 18 9.287 8.359 -18.088 137 HA LYS 18 HA LYS 18 9.567 9.645 -15.626 138 HB2 LYS 18 HB2 LYS 18 7.419 9.625 -17.718 139 HB3 LYS 18 HB3 LYS 18 7.165 10.489 -16.207 140 HG2 LYS 18 HG2 LYS 18 9.671 11.001 -17.721 141 HG3 LYS 18 HG3 LYS 18 8.160 11.683 -18.327 142 HD2 LYS 18 HD2 LYS 18 8.444 13.358 -16.887 143 HD3 LYS 18 HD3 LYS 18 8.135 12.203 -15.589 144 HE2 LYS 18 HE2 LYS 18 10.173 12.875 -14.887 145 HE3 LYS 18 HE3 LYS 18 10.730 11.684 -16.061 146 HZ1 LYS 18 HZ1 LYS 18 11.089 14.502 -16.058 147 HZ2 LYS 18 HZ2 LYS 18 10.345 14.000 -17.492 148 HZ3 LYS 18 HZ3 LYS 18 11.828 13.330 -17.030 149 H ALA 19 H ALA 19 7.445 7.021 -16.623 150 HA ALA 19 HA ALA 19 5.864 7.013 -14.252 151 HB1 ALA 19 HB1 ALA 19 4.782 5.171 -15.135 152 HB2 ALA 19 HB2 ALA 19 5.356 5.995 -16.584 153 HB3 ALA 19 HB3 ALA 19 6.225 4.591 -15.966 154 H ALA 20 H ALA 20 8.624 5.075 -15.367 155 HA ALA 20 HA ALA 20 8.756 3.381 -13.118 156 HB1 ALA 20 HB1 ALA 20 10.582 2.472 -14.104 157 HB2 ALA 20 HB2 ALA 20 9.969 3.363 -15.499 158 HB3 ALA 20 HB3 ALA 20 11.274 4.040 -14.524 159 H GLN 21 H GLN 21 10.473 6.393 -13.899 160 HA GLN 21 HA GLN 21 11.987 6.448 -11.497 161 HB2 GLN 21 HB2 GLN 21 11.590 8.165 -13.823 162 HB3 GLN 21 HB3 GLN 21 11.802 9.079 -12.335 163 HG2 GLN 21 HG2 GLN 21 13.934 8.211 -11.964 164 HG3 GLN 21 HG3 GLN 21 13.684 6.877 -13.089 165 HE21 GLN 21 HE21 GLN 21 14.167 10.344 -12.839 166 HE22 GLN 21 HE22 GLN 21 14.808 10.559 -14.429 167 H GLY 22 H GLY 22 8.798 7.546 -12.377 168 HA2 GLY 22 HA2 GLY 22 8.296 9.436 -10.404 169 HA3 GLY 22 HA3 GLY 22 7.078 8.381 -11.106 170 H LEU 23 H LEU 23 8.478 5.960 -10.138 171 HA LEU 23 HA LEU 23 7.178 5.783 -7.604 172 HB2 LEU 23 HB2 LEU 23 9.136 3.839 -8.812 173 HB3 LEU 23 HB3 LEU 23 7.942 3.509 -7.558 174 HG LEU 23 HG LEU 23 7.476 3.990 -10.491 175 HD11 LEU 23 HD11 LEU 23 6.606 1.809 -10.516 176 HD12 LEU 23 HD12 LEU 23 6.515 1.733 -8.757 177 HD13 LEU 23 HD13 LEU 23 8.085 1.704 -9.561 178 HD21 LEU 23 HD21 LEU 23 5.012 3.534 -9.624 179 HD22 LEU 23 HD22 LEU 23 5.676 5.165 -9.740 180 HD23 LEU 23 HD23 LEU 23 5.641 4.335 -8.184 181 H CYS 24 H CYS 24 9.920 7.316 -8.360 182 HA CYS 24 HA CYS 24 11.193 6.670 -5.781 183 HB2 CYS 24 HB2 CYS 24 12.308 6.580 -8.388 184 HB3 CYS 24 HB3 CYS 24 13.036 7.953 -7.561 185 H ILE 25 H ILE 25 10.858 9.247 -8.218 186 HA ILE 25 HA ILE 25 11.649 11.341 -6.489 187 HB ILE 25 HB ILE 25 9.962 11.467 -8.992 188 HG12 ILE 25 HG12 ILE 25 12.368 12.456 -9.698 189 HG13 ILE 25 HG13 ILE 25 12.877 11.313 -8.460 190 HG21 ILE 25 HG21 ILE 25 9.591 13.479 -7.813 191 HG22 ILE 25 HG22 ILE 25 11.289 13.612 -7.356 192 HG23 ILE 25 HG23 ILE 25 10.807 13.851 -9.035 193 HD11 ILE 25 HD11 ILE 25 12.464 10.733 -11.094 194 HD12 ILE 25 HD12 ILE 25 12.498 9.559 -9.778 195 HD13 ILE 25 HD13 ILE 25 10.957 10.200 -10.348 196 H THR 26 H THR 26 8.450 10.180 -7.512 197 HA THR 26 HA THR 26 7.038 12.060 -5.876 198 HB THR 26 HB THR 26 6.350 10.103 -7.871 199 HG1 THR 26 HG1 THR 26 5.290 11.861 -8.353 200 HG21 THR 26 HG21 THR 26 4.670 10.077 -5.361 201 HG22 THR 26 HG22 THR 26 5.555 8.716 -6.050 202 HG23 THR 26 HG23 THR 26 4.178 9.400 -6.913 203 H SER 27 H SER 27 8.013 8.688 -5.571 204 HA SER 27 HA SER 27 6.518 8.018 -3.302 205 HB2 SER 27 HB2 SER 27 8.047 6.565 -4.883 206 HB3 SER 27 HB3 SER 27 9.278 6.916 -3.670 207 HG SER 27 HG SER 27 7.335 5.111 -3.563 208 H CYS 28 H CYS 28 9.511 9.785 -3.660 209 HA CYS 28 HA CYS 28 10.252 9.698 -0.905 210 HB2 CYS 28 HB2 CYS 28 11.414 10.601 -3.309 211 HB3 CYS 28 HB3 CYS 28 11.303 12.011 -2.261 212 H SER 29 H SER 29 8.598 12.072 -2.951 213 HA SER 29 HA SER 29 8.363 14.142 -1.111 214 HB2 SER 29 HB2 SER 29 7.648 13.918 -3.659 215 HB3 SER 29 HB3 SER 29 6.070 13.590 -2.943 216 HG SER 29 HG SER 29 6.447 15.834 -3.369 217 H MET 30 H MET 30 6.537 11.177 -1.426 218 HA MET 30 HA MET 30 4.416 11.937 0.325 219 HB2 MET 30 HB2 MET 30 5.244 9.095 -0.193 220 HB3 MET 30 HB3 MET 30 3.633 9.734 0.106 221 HG2 MET 30 HG2 MET 30 4.375 11.041 -2.182 222 HG3 MET 30 HG3 MET 30 5.106 9.451 -2.388 223 HE1 MET 30 HE1 MET 30 1.147 10.430 -0.958 224 HE2 MET 30 HE2 MET 30 2.221 11.578 -1.756 225 HE3 MET 30 HE3 MET 30 0.903 10.829 -2.659 226 H GLN 31 H GLN 31 7.643 10.988 0.814 227 HA GLN 31 HA GLN 31 7.095 10.224 3.600 228 HB2 GLN 31 HB2 GLN 31 9.811 9.906 2.435 229 HB3 GLN 31 HB3 GLN 31 8.955 8.887 3.584 230 HG2 GLN 31 HG2 GLN 31 7.459 8.617 1.299 231 HG3 GLN 31 HG3 GLN 31 9.109 8.719 0.686 232 HE21 GLN 31 HE21 GLN 31 10.072 6.843 0.474 233 HE22 GLN 31 HE22 GLN 31 9.790 5.432 1.429 234 H ASN 32 H ASN 32 7.316 12.972 2.298 235 HA ASN 32 HA ASN 32 8.037 15.036 2.927 236 HB2 ASN 32 HB2 ASN 32 9.368 13.859 5.349 237 HB3 ASN 32 HB3 ASN 32 8.571 15.419 5.172 238 HD21 ASN 32 HD21 ASN 32 6.196 15.292 4.709 239 HD22 ASN 32 HD22 ASN 32 5.292 14.102 5.575 240 H CYS 33 H CYS 33 9.626 13.533 1.169 241 HA CYS 33 HA CYS 33 12.370 14.228 1.964 242 HB2 CYS 33 HB2 CYS 33 11.339 12.335 -0.156 243 HB3 CYS 33 HB3 CYS 33 13.040 12.738 0.059 244 H GLY 34 H GLY 34 13.633 14.466 -0.405 245 HA2 GLY 34 HA2 GLY 34 12.346 16.855 -1.564 246 HA3 GLY 34 HA3 GLY 34 14.082 16.590 -1.483 247 H THR 35 H THR 35 14.607 14.282 -2.565 248 HA THR 35 HA THR 35 13.092 13.953 -5.036 249 HB THR 35 HB THR 35 14.894 15.668 -5.465 250 HG1 THR 35 HG1 THR 35 14.239 14.668 -7.282 251 HG21 THR 35 HG21 THR 35 16.527 14.262 -3.963 252 HG22 THR 35 HG22 THR 35 17.139 15.161 -5.351 253 HG23 THR 35 HG23 THR 35 16.863 13.424 -5.477 254 H GLY 36 H GLY 36 14.428 12.192 -6.417 255 HA2 GLY 36 HA2 GLY 36 15.838 10.226 -4.911 256 HA3 GLY 36 HA3 GLY 36 14.153 9.772 -5.114 257 H SER 37 H SER 37 17.016 9.054 -6.273 258 HA SER 37 HA SER 37 16.067 8.793 -9.052 259 HB2 SER 37 HB2 SER 37 18.305 10.163 -8.248 260 HB3 SER 37 HB3 SER 37 18.969 8.577 -8.640 261 HG SER 37 HG SER 37 18.776 10.192 -10.404 262 H CYS 38 H CYS 38 16.365 6.836 -10.091 263 HA CYS 38 HA CYS 38 17.124 4.595 -8.337 264 HB2 CYS 38 HB2 CYS 38 15.590 3.204 -9.560 265 HB3 CYS 38 HB3 CYS 38 14.735 4.667 -9.082 266 H LYS 39 H LYS 39 18.573 3.093 -9.036 267 HA LYS 39 HA LYS 39 19.582 3.278 -11.778 268 HB2 LYS 39 HB2 LYS 39 21.424 3.229 -9.384 269 HB3 LYS 39 HB3 LYS 39 21.885 3.363 -11.076 270 HG2 LYS 39 HG2 LYS 39 20.172 5.430 -9.739 271 HG3 LYS 39 HG3 LYS 39 21.935 5.481 -9.663 272 HD2 LYS 39 HD2 LYS 39 21.853 5.290 -12.222 273 HD3 LYS 39 HD3 LYS 39 20.147 5.718 -12.064 274 HE2 LYS 39 HE2 LYS 39 20.602 7.861 -11.509 275 HE3 LYS 39 HE3 LYS 39 22.041 7.427 -10.587 276 HZ1 LYS 39 HZ1 LYS 39 23.156 8.272 -12.303 277 HZ2 LYS 39 HZ2 LYS 39 21.807 8.260 -13.324 278 HZ3 LYS 39 HZ3 LYS 39 22.744 6.863 -13.143 279 H LYS 40 H LYS 40 20.867 1.412 -12.419 280 HA LYS 40 HA LYS 40 19.761 -1.021 -11.346 281 HB2 LYS 40 HB2 LYS 40 21.282 -0.221 -13.739 282 HB3 LYS 40 HB3 LYS 40 21.633 -1.841 -13.153 283 HG2 LYS 40 HG2 LYS 40 18.858 -0.831 -13.729 284 HG3 LYS 40 HG3 LYS 40 19.849 -1.723 -14.885 285 HD2 LYS 40 HD2 LYS 40 20.037 -3.497 -13.026 286 HD3 LYS 40 HD3 LYS 40 18.663 -2.665 -12.294 287 HE2 LYS 40 HE2 LYS 40 17.922 -4.536 -13.670 288 HE3 LYS 40 HE3 LYS 40 17.368 -3.001 -14.338 289 HZ1 LYS 40 HZ1 LYS 40 19.909 -4.037 -15.325 290 HZ2 LYS 40 HZ2 LYS 40 18.687 -3.207 -16.148 291 HZ3 LYS 40 HZ3 LYS 40 18.511 -4.856 -15.814 292 H ARG 41 H ARG 41 20.572 -1.902 -9.563 293 HA ARG 41 HA ARG 41 23.432 -1.618 -8.991 294 HB2 ARG 41 HB2 ARG 41 21.134 -2.501 -7.237 295 HB3 ARG 41 HB3 ARG 41 22.812 -2.423 -6.717 296 HG2 ARG 41 HG2 ARG 41 21.186 -0.078 -7.678 297 HG3 ARG 41 HG3 ARG 41 21.504 -0.480 -5.989 298 HD2 ARG 41 HD2 ARG 41 23.606 0.142 -8.060 299 HD3 ARG 41 HD3 ARG 41 23.008 1.273 -6.848 300 HE ARG 41 HE ARG 41 24.874 -0.881 -6.445 301 HH11 ARG 41 HH11 ARG 41 22.559 1.238 -4.937 302 HH12 ARG 41 HH12 ARG 41 23.259 1.093 -3.359 303 HH21 ARG 41 HH21 ARG 41 25.804 -1.080 -4.372 304 HH22 ARG 41 HH22 ARG 41 25.106 -0.225 -3.038 305 H SER 42 H SER 42 24.625 -3.198 -9.839 306 HA SER 42 HA SER 42 25.381 -5.263 -10.426 307 HB2 SER 42 HB2 SER 42 24.706 -5.411 -7.790 308 HB3 SER 42 HB3 SER 42 23.729 -6.717 -8.460 309 HG SER 42 HG SER 42 25.819 -7.429 -7.855 310 H GLY 43 H GLY 43 22.956 -4.254 -11.689 311 HA2 GLY 43 HA2 GLY 43 21.709 -5.138 -13.453 312 HA3 GLY 43 HA3 GLY 43 22.094 -6.756 -12.883 313 H ARG 44 H ARG 44 20.959 -4.666 -10.452 314 HA ARG 44 HA ARG 44 18.267 -5.848 -10.666 315 HB2 ARG 44 HB2 ARG 44 19.856 -5.201 -8.176 316 HB3 ARG 44 HB3 ARG 44 18.183 -5.741 -8.183 317 HG2 ARG 44 HG2 ARG 44 20.381 -7.358 -9.428 318 HG3 ARG 44 HG3 ARG 44 19.970 -7.482 -7.716 319 HD2 ARG 44 HD2 ARG 44 17.592 -7.926 -8.460 320 HD3 ARG 44 HD3 ARG 44 18.232 -8.096 -10.094 321 HE ARG 44 HE ARG 44 19.701 -9.763 -8.397 322 HH11 ARG 44 HH11 ARG 44 16.477 -9.464 -9.676 323 HH12 ARG 44 HH12 ARG 44 16.156 -11.165 -9.619 324 HH21 ARG 44 HH21 ARG 44 19.291 -12.005 -8.318 325 HH22 ARG 44 HH22 ARG 44 17.757 -12.610 -8.846 326 HA PRO 45 HA PRO 45 16.828 -1.674 -10.879 327 HB2 PRO 45 HB2 PRO 45 14.198 -2.182 -10.435 328 HB3 PRO 45 HB3 PRO 45 14.998 -2.533 -11.971 329 HG2 PRO 45 HG2 PRO 45 14.351 -4.381 -9.707 330 HG3 PRO 45 HG3 PRO 45 14.174 -4.644 -11.452 331 HD2 PRO 45 HD2 PRO 45 16.252 -5.642 -10.032 332 HD3 PRO 45 HD3 PRO 45 16.406 -5.148 -11.730 333 H THR 46 H THR 46 17.858 -0.890 -8.977 334 HA THR 46 HA THR 46 16.286 -1.090 -6.501 335 HB THR 46 HB THR 46 19.147 -0.194 -6.900 336 HG1 THR 46 HG1 THR 46 18.042 -2.540 -5.709 337 HG21 THR 46 HG21 THR 46 19.109 -0.473 -4.325 338 HG22 THR 46 HG22 THR 46 17.364 -0.281 -4.491 339 HG23 THR 46 HG23 THR 46 18.448 1.002 -5.028 340 H CYS 47 H CYS 47 15.295 0.643 -5.653 341 HA CYS 47 HA CYS 47 15.536 3.182 -7.099 342 HB2 CYS 47 HB2 CYS 47 13.307 1.802 -6.399 343 HB3 CYS 47 HB3 CYS 47 13.456 2.888 -5.020 344 H VAL 48 H VAL 48 16.721 4.748 -6.250 345 HA VAL 48 HA VAL 48 17.187 4.749 -3.340 346 HB VAL 48 HB VAL 48 18.912 6.238 -5.291 347 HG11 VAL 48 HG11 VAL 48 19.026 5.414 -2.455 348 HG12 VAL 48 HG12 VAL 48 20.544 5.368 -3.354 349 HG13 VAL 48 HG13 VAL 48 19.631 6.873 -3.239 350 HG21 VAL 48 HG21 VAL 48 19.248 4.211 -6.275 351 HG22 VAL 48 HG22 VAL 48 20.395 4.063 -4.943 352 HG23 VAL 48 HG23 VAL 48 18.805 3.309 -4.826 353 H CYS 49 H CYS 49 17.052 6.678 -2.187 354 HA CYS 49 HA CYS 49 15.650 8.861 -3.587 355 HB2 CYS 49 HB2 CYS 49 14.982 7.397 -1.199 356 HB3 CYS 49 HB3 CYS 49 15.200 9.101 -0.813 357 H TYR 50 H TYR 50 15.910 11.018 -2.474 358 HA TYR 50 HA TYR 50 18.368 11.399 -0.996 359 HB2 TYR 50 HB2 TYR 50 18.031 12.528 -3.781 360 HB3 TYR 50 HB3 TYR 50 19.288 13.018 -2.651 361 HD1 TYR 50 HD1 TYR 50 18.143 10.405 -4.928 362 HD2 TYR 50 HD2 TYR 50 21.126 11.500 -2.098 363 HE1 TYR 50 HE1 TYR 50 19.576 8.579 -5.741 364 HE2 TYR 50 HE2 TYR 50 22.568 9.678 -2.904 365 HH TYR 50 HH TYR 50 22.494 8.311 -5.560 366 H ARG 51 H ARG 51 18.735 13.860 -0.687 367 HA ARG 51 HA ARG 51 17.952 15.728 0.359 368 HB2 ARG 51 HB2 ARG 51 15.858 15.574 -1.818 369 HB3 ARG 51 HB3 ARG 51 16.275 17.004 -0.883 370 HG2 ARG 51 HG2 ARG 51 18.697 16.297 -1.898 371 HG3 ARG 51 HG3 ARG 51 17.606 15.811 -3.197 372 HD2 ARG 51 HD2 ARG 51 17.117 17.933 -3.738 373 HD3 ARG 51 HD3 ARG 51 17.000 18.433 -2.051 374 HE ARG 51 HE ARG 51 19.163 19.167 -2.160 375 HH11 ARG 51 HH11 ARG 51 18.547 17.047 -4.852 376 HH12 ARG 51 HH12 ARG 51 20.064 17.372 -5.623 377 HH21 ARG 51 HH21 ARG 51 21.163 19.604 -3.166 378 HH22 ARG 51 HH22 ARG 51 21.552 18.826 -4.662 379 H CYS 52 H CYS 52 16.899 13.128 1.255 380 HA CYS 52 HA CYS 52 14.146 13.442 1.924 381 HB2 CYS 52 HB2 CYS 52 15.812 11.319 1.884 382 HB3 CYS 52 HB3 CYS 52 15.837 11.685 3.606 383 H ALA 53 H ALA 53 13.550 13.197 4.369 384 HA ALA 53 HA ALA 53 14.900 15.396 5.782 385 HB1 ALA 53 HB1 ALA 53 12.076 14.491 5.643 386 HB2 ALA 53 HB2 ALA 53 12.640 15.219 7.147 387 HB3 ALA 53 HB3 ALA 53 12.745 16.123 5.637 388 H ASN 54 H ASN 54 13.873 12.068 6.029 389 HA ASN 54 HA ASN 54 14.673 11.901 8.825 390 HB2 ASN 54 HB2 ASN 54 12.660 10.680 7.584 391 HB3 ASN 54 HB3 ASN 54 13.909 9.482 7.258 392 HD21 ASN 54 HD21 ASN 54 14.921 8.438 9.014 393 HD22 ASN 54 HD22 ASN 54 14.152 8.348 10.559 394 H GLY 55 H GLY 55 16.528 12.324 6.431 395 HA2 GLY 55 HA2 GLY 55 18.735 10.904 7.428 396 HA3 GLY 55 HA3 GLY 55 18.098 10.026 6.046 397 H GLY 56 H GLY 56 17.216 12.495 4.703 398 HA2 GLY 56 HA2 GLY 56 18.040 13.961 3.142 399 HA3 GLY 56 HA3 GLY 56 19.301 14.313 4.315 400 H GLY 57 H GLY 57 18.420 11.631 2.125 401 HA2 GLY 57 HA2 GLY 57 20.470 11.755 0.345 402 HA3 GLY 57 HA3 GLY 57 21.193 10.951 1.731 403 H ASP 58 H ASP 58 21.488 8.964 0.807 404 HA ASP 58 HA ASP 58 19.559 7.615 -0.753 405 HB2 ASP 58 HB2 ASP 58 20.973 5.573 -0.202 406 HB3 ASP 58 HB3 ASP 58 21.813 6.912 -0.979 407 H ILE 59 H ILE 59 17.593 7.184 0.034 408 HA ILE 59 HA ILE 59 17.426 5.583 2.483 409 HB ILE 59 HB ILE 59 15.445 7.787 1.963 410 HG12 ILE 59 HG12 ILE 59 17.840 8.623 2.294 411 HG13 ILE 59 HG13 ILE 59 16.620 9.257 3.392 412 HG21 ILE 59 HG21 ILE 59 16.026 5.886 4.191 413 HG22 ILE 59 HG22 ILE 59 15.267 7.439 4.540 414 HG23 ILE 59 HG23 ILE 59 14.484 6.302 3.442 415 HD11 ILE 59 HD11 ILE 59 18.322 6.903 4.120 416 HD12 ILE 59 HD12 ILE 59 18.854 8.564 4.382 417 HD13 ILE 59 HD13 ILE 59 17.397 7.969 5.177 418 HA PRO 60 HA PRO 60 15.006 3.314 -0.552 419 HB2 PRO 60 HB2 PRO 60 14.835 1.053 0.941 420 HB3 PRO 60 HB3 PRO 60 16.270 1.476 -0.000 421 HG2 PRO 60 HG2 PRO 60 15.751 1.835 2.926 422 HG3 PRO 60 HG3 PRO 60 17.219 1.264 2.112 423 HD2 PRO 60 HD2 PRO 60 16.951 3.799 3.023 424 HD3 PRO 60 HD3 PRO 60 17.906 3.399 1.582 425 H LEU 61 H LEU 61 12.851 2.673 -0.693 426 HA LEU 61 HA LEU 61 10.961 4.019 0.782 427 HB2 LEU 61 HB2 LEU 61 10.946 1.739 -1.071 428 HB3 LEU 61 HB3 LEU 61 9.554 1.830 0.006 429 HG LEU 61 HG LEU 61 9.227 2.882 -2.239 430 HD11 LEU 61 HD11 LEU 61 7.627 3.721 -0.899 431 HD12 LEU 61 HD12 LEU 61 8.577 5.201 -1.025 432 HD13 LEU 61 HD13 LEU 61 8.767 4.149 0.377 433 HD21 LEU 61 HD21 LEU 61 10.228 5.109 -2.591 434 HD22 LEU 61 HD22 LEU 61 11.430 3.818 -2.573 435 HD23 LEU 61 HD23 LEU 61 11.233 4.861 -1.163 436 H GLY 62 H GLY 62 12.640 1.111 1.591 437 HA2 GLY 62 HA2 GLY 62 10.752 0.259 3.601 438 HA3 GLY 62 HA3 GLY 62 12.341 -0.428 3.302 439 H ALA 63 H ALA 63 13.788 2.044 3.540 440 HA ALA 63 HA ALA 63 14.089 2.088 6.386 441 HB1 ALA 63 HB1 ALA 63 16.014 2.279 4.890 442 HB2 ALA 63 HB2 ALA 63 15.394 3.817 4.288 443 HB3 ALA 63 HB3 ALA 63 15.897 3.667 5.971 444 H LEU 64 H LEU 64 12.362 3.978 4.070 445 HA LEU 64 HA LEU 64 12.057 6.261 5.828 446 HB2 LEU 64 HB2 LEU 64 11.526 5.636 3.038 447 HB3 LEU 64 HB3 LEU 64 10.208 6.531 3.793 448 HG LEU 64 HG LEU 64 13.046 7.494 3.963 449 HD11 LEU 64 HD11 LEU 64 11.926 7.071 1.554 450 HD12 LEU 64 HD12 LEU 64 13.032 8.399 1.901 451 HD13 LEU 64 HD13 LEU 64 11.291 8.677 1.914 452 HD21 LEU 64 HD21 LEU 64 12.046 9.021 5.232 453 HD22 LEU 64 HD22 LEU 64 10.442 8.417 4.812 454 HD23 LEU 64 HD23 LEU 64 11.240 9.600 3.774 455 H ILE 65 H ILE 65 10.842 3.295 5.979 456 HA ILE 65 HA ILE 65 8.040 3.738 6.210 457 HB ILE 65 HB ILE 65 9.757 1.507 7.302 458 HG12 ILE 65 HG12 ILE 65 7.998 1.678 4.846 459 HG13 ILE 65 HG13 ILE 65 9.758 1.657 4.856 460 HG21 ILE 65 HG21 ILE 65 7.638 0.263 7.524 461 HG22 ILE 65 HG22 ILE 65 7.719 1.666 8.588 462 HG23 ILE 65 HG23 ILE 65 6.757 1.734 7.111 463 HD11 ILE 65 HD11 ILE 65 9.680 -0.599 5.855 464 HD12 ILE 65 HD12 ILE 65 7.923 -0.570 5.699 465 HD13 ILE 65 HD13 ILE 65 8.937 -0.511 4.258 466 H LYS 66 H LYS 66 6.804 4.241 7.944 467 HA LYS 66 HA LYS 66 8.206 4.770 10.483 468 HB2 LYS 66 HB2 LYS 66 5.807 6.253 9.395 469 HB3 LYS 66 HB3 LYS 66 6.685 6.623 10.873 470 HG2 LYS 66 HG2 LYS 66 8.513 7.471 9.729 471 HG3 LYS 66 HG3 LYS 66 8.086 6.640 8.231 472 HD2 LYS 66 HD2 LYS 66 6.359 8.795 9.422 473 HD3 LYS 66 HD3 LYS 66 7.686 9.155 8.315 474 HE2 LYS 66 HE2 LYS 66 6.298 7.119 7.055 475 HE3 LYS 66 HE3 LYS 66 5.030 8.115 7.766 476 HZ1 LYS 66 HZ1 LYS 66 5.356 9.666 6.236 477 HZ2 LYS 66 HZ2 LYS 66 6.399 8.604 5.432 478 HZ3 LYS 66 HZ3 LYS 66 7.020 9.725 6.536 479 H ARG 67 H ARG 67 6.123 2.717 9.060 480 HA ARG 67 HA ARG 67 4.172 2.538 11.199 481 HB2 ARG 67 HB2 ARG 67 3.682 2.110 8.733 482 HB3 ARG 67 HB3 ARG 67 4.547 0.592 8.928 483 HG2 ARG 67 HG2 ARG 67 2.496 1.024 10.955 484 HG3 ARG 67 HG3 ARG 67 1.866 0.965 9.307 485 HD2 ARG 67 HD2 ARG 67 3.857 -1.096 10.014 486 HD3 ARG 67 HD3 ARG 67 2.297 -1.216 10.827 487 HE ARG 67 HE ARG 67 1.618 -0.891 8.228 488 HH11 ARG 67 HH11 ARG 67 3.753 -3.081 9.892 489 HH12 ARG 67 HH12 ARG 67 3.524 -4.372 8.759 490 HH21 ARG 67 HH21 ARG 67 1.309 -2.583 6.730 491 HH22 ARG 67 HH22 ARG 67 2.134 -4.087 6.960 492 H GLY 68 H GLY 68 7.284 1.721 11.057 493 HA2 GLY 68 HA2 GLY 68 8.548 0.378 12.446 494 HA3 GLY 68 HA3 GLY 68 7.055 -0.211 13.162 Start of MODEL 12 1 H MET 1 H MET 1 -0.013 0.900 -1.248 2 HA MET 1 HA MET 1 1.581 -0.103 0.063 3 HB2 MET 1 HB2 MET 1 -1.016 -1.267 1.060 4 HB3 MET 1 HB3 MET 1 0.514 -1.519 1.889 5 HG2 MET 1 HG2 MET 1 -0.211 0.283 3.042 6 HG3 MET 1 HG3 MET 1 0.609 1.121 1.726 7 HE1 MET 1 HE1 MET 1 -2.582 2.697 3.291 8 HE2 MET 1 HE2 MET 1 -3.371 1.120 3.288 9 HE3 MET 1 HE3 MET 1 -1.735 1.287 3.928 10 H ASP 2 H ASP 2 2.606 -1.272 -1.662 11 HA ASP 2 HA ASP 2 2.699 -4.097 -1.152 12 HB2 ASP 2 HB2 ASP 2 0.891 -3.278 -3.099 13 HB3 ASP 2 HB3 ASP 2 2.314 -3.762 -4.018 14 H ILE 3 H ILE 3 4.297 -5.162 -2.742 15 HA ILE 3 HA ILE 3 6.600 -3.376 -2.939 16 HB ILE 3 HB ILE 3 6.767 -6.297 -3.540 17 HG12 ILE 3 HG12 ILE 3 6.608 -5.112 -0.760 18 HG13 ILE 3 HG13 ILE 3 5.411 -6.171 -1.497 19 HG21 ILE 3 HG21 ILE 3 8.918 -5.752 -3.591 20 HG22 ILE 3 HG22 ILE 3 8.563 -4.119 -3.030 21 HG23 ILE 3 HG23 ILE 3 8.831 -5.414 -1.863 22 HD11 ILE 3 HD11 ILE 3 6.631 -7.575 -0.113 23 HD12 ILE 3 HD12 ILE 3 7.334 -7.853 -1.707 24 HD13 ILE 3 HD13 ILE 3 8.167 -6.824 -0.543 25 H ASP 4 H ASP 4 8.061 -3.646 -4.830 26 HA ASP 4 HA ASP 4 6.835 -4.551 -7.295 27 HB2 ASP 4 HB2 ASP 4 7.529 -1.644 -6.838 28 HB3 ASP 4 HB3 ASP 4 7.200 -2.346 -8.419 29 H PHE 5 H PHE 5 8.339 -5.477 -8.515 30 HA PHE 5 HA PHE 5 11.104 -5.333 -7.773 31 HB2 PHE 5 HB2 PHE 5 10.273 -7.448 -8.534 32 HB3 PHE 5 HB3 PHE 5 9.663 -6.738 -10.025 33 HD1 PHE 5 HD1 PHE 5 10.809 -7.742 -11.756 34 HD2 PHE 5 HD2 PHE 5 12.966 -6.392 -8.344 35 HE1 PHE 5 HE1 PHE 5 12.927 -8.290 -12.882 36 HE2 PHE 5 HE2 PHE 5 15.088 -6.937 -9.465 37 HZ PHE 5 HZ PHE 5 15.070 -7.886 -11.737 38 H SER 6 H SER 6 9.101 -3.991 -10.315 39 HA SER 6 HA SER 6 11.458 -2.737 -11.537 40 HB2 SER 6 HB2 SER 6 10.172 -2.428 -13.507 41 HB3 SER 6 HB3 SER 6 9.771 -4.049 -12.940 42 HG SER 6 HG SER 6 8.077 -2.197 -13.488 43 H THR 7 H THR 7 11.923 -0.737 -10.945 44 HA THR 7 HA THR 7 9.783 1.207 -10.579 45 HB THR 7 HB THR 7 11.397 1.926 -8.492 46 HG1 THR 7 HG1 THR 7 12.539 -0.012 -8.467 47 HG21 THR 7 HG21 THR 7 9.329 2.015 -7.664 48 HG22 THR 7 HG22 THR 7 9.418 0.278 -7.368 49 HG23 THR 7 HG23 THR 7 8.747 0.882 -8.883 50 H CYS 8 H CYS 8 12.271 0.531 -12.294 51 HA CYS 8 HA CYS 8 13.269 3.289 -12.360 52 HB2 CYS 8 HB2 CYS 8 14.848 1.571 -11.204 53 HB3 CYS 8 HB3 CYS 8 15.150 0.999 -12.841 54 H ALA 9 H ALA 9 14.165 3.925 -14.419 55 HA ALA 9 HA ALA 9 12.644 2.933 -16.613 56 HB1 ALA 9 HB1 ALA 9 14.408 4.502 -17.847 57 HB2 ALA 9 HB2 ALA 9 13.040 5.145 -16.936 58 HB3 ALA 9 HB3 ALA 9 14.640 5.081 -16.197 59 H ARG 10 H ARG 10 15.494 1.873 -15.188 60 HA ARG 10 HA ARG 10 16.635 0.806 -17.650 61 HB2 ARG 10 HB2 ARG 10 17.623 0.440 -14.819 62 HB3 ARG 10 HB3 ARG 10 18.514 0.133 -16.304 63 HG2 ARG 10 HG2 ARG 10 17.571 2.832 -15.359 64 HG3 ARG 10 HG3 ARG 10 19.215 2.207 -15.221 65 HD2 ARG 10 HD2 ARG 10 18.399 1.910 -17.919 66 HD3 ARG 10 HD3 ARG 10 17.991 3.549 -17.414 67 HE ARG 10 HE ARG 10 20.608 2.486 -17.855 68 HH11 ARG 10 HH11 ARG 10 18.782 4.822 -16.030 69 HH12 ARG 10 HH12 ARG 10 20.133 5.877 -15.781 70 HH21 ARG 10 HH21 ARG 10 22.394 3.867 -17.534 71 HH22 ARG 10 HH22 ARG 10 22.187 5.334 -16.638 72 H MET 11 H MET 11 14.030 -0.109 -16.517 73 HA MET 11 HA MET 11 14.651 -2.886 -15.825 74 HB2 MET 11 HB2 MET 11 12.510 -1.045 -15.181 75 HB3 MET 11 HB3 MET 11 11.872 -2.550 -15.830 76 HG2 MET 11 HG2 MET 11 13.959 -2.680 -13.718 77 HG3 MET 11 HG3 MET 11 12.314 -2.241 -13.264 78 HE1 MET 11 HE1 MET 11 14.069 -5.490 -15.444 79 HE2 MET 11 HE2 MET 11 14.827 -4.594 -14.129 80 HE3 MET 11 HE3 MET 11 14.125 -6.183 -13.823 81 H ASP 12 H ASP 12 12.609 -4.315 -16.738 82 HA ASP 12 HA ASP 12 13.187 -4.624 -19.496 83 HB2 ASP 12 HB2 ASP 12 12.077 -6.210 -17.525 84 HB3 ASP 12 HB3 ASP 12 10.715 -5.902 -18.598 85 H VAL 13 H VAL 13 10.970 -2.662 -17.811 86 HA VAL 13 HA VAL 13 9.402 -2.218 -20.266 87 HB VAL 13 HB VAL 13 7.763 -1.085 -18.654 88 HG11 VAL 13 HG11 VAL 13 8.179 -4.064 -18.428 89 HG12 VAL 13 HG12 VAL 13 6.673 -3.194 -18.128 90 HG13 VAL 13 HG13 VAL 13 7.356 -3.242 -19.753 91 HG21 VAL 13 HG21 VAL 13 7.836 -1.914 -16.338 92 HG22 VAL 13 HG22 VAL 13 9.396 -2.666 -16.670 93 HG23 VAL 13 HG23 VAL 13 9.232 -0.912 -16.731 94 HA PRO 14 HA PRO 14 12.007 1.569 -19.695 95 HB2 PRO 14 HB2 PRO 14 12.554 1.862 -22.338 96 HB3 PRO 14 HB3 PRO 14 13.511 0.832 -21.267 97 HG2 PRO 14 HG2 PRO 14 11.339 0.073 -23.182 98 HG3 PRO 14 HG3 PRO 14 12.894 -0.724 -22.882 99 HD2 PRO 14 HD2 PRO 14 10.569 -1.624 -21.826 100 HD3 PRO 14 HD3 PRO 14 12.126 -1.791 -20.989 101 H ILE 15 H ILE 15 9.104 0.734 -21.226 102 HA ILE 15 HA ILE 15 8.382 2.940 -22.709 103 HB ILE 15 HB ILE 15 6.017 2.464 -21.942 104 HG12 ILE 15 HG12 ILE 15 6.711 -0.107 -20.784 105 HG13 ILE 15 HG13 ILE 15 7.342 1.224 -19.819 106 HG21 ILE 15 HG21 ILE 15 5.830 0.628 -23.344 107 HG22 ILE 15 HG22 ILE 15 7.349 1.355 -23.862 108 HG23 ILE 15 HG23 ILE 15 7.363 -0.062 -22.813 109 HD11 ILE 15 HD11 ILE 15 5.108 2.182 -19.676 110 HD12 ILE 15 HD12 ILE 15 4.475 0.855 -20.651 111 HD13 ILE 15 HD13 ILE 15 5.146 0.533 -19.052 112 H LEU 16 H LEU 16 8.548 5.012 -22.175 113 HA LEU 16 HA LEU 16 8.329 6.980 -21.057 114 HB2 LEU 16 HB2 LEU 16 6.497 5.529 -19.165 115 HB3 LEU 16 HB3 LEU 16 6.534 7.253 -19.525 116 HG LEU 16 HG LEU 16 6.016 5.797 -21.934 117 HD11 LEU 16 HD11 LEU 16 3.728 4.974 -21.189 118 HD12 LEU 16 HD12 LEU 16 4.361 5.041 -19.545 119 HD13 LEU 16 HD13 LEU 16 5.119 3.987 -20.739 120 HD21 LEU 16 HD21 LEU 16 5.449 8.133 -21.528 121 HD22 LEU 16 HD22 LEU 16 4.313 7.649 -20.268 122 HD23 LEU 16 HD23 LEU 16 4.013 7.198 -21.948 123 H LYS 17 H LYS 17 10.550 6.725 -20.411 124 HA LYS 17 HA LYS 17 11.433 5.476 -18.084 125 HB2 LYS 17 HB2 LYS 17 12.469 7.804 -19.676 126 HB3 LYS 17 HB3 LYS 17 13.277 7.297 -18.198 127 HG2 LYS 17 HG2 LYS 17 14.465 6.095 -19.715 128 HG3 LYS 17 HG3 LYS 17 13.182 4.934 -19.368 129 HD2 LYS 17 HD2 LYS 17 11.949 5.730 -21.340 130 HD3 LYS 17 HD3 LYS 17 13.259 6.860 -21.692 131 HE2 LYS 17 HE2 LYS 17 14.513 4.396 -21.399 132 HE3 LYS 17 HE3 LYS 17 13.035 4.036 -22.290 133 HZ1 LYS 17 HZ1 LYS 17 13.638 5.488 -24.004 134 HZ2 LYS 17 HZ2 LYS 17 15.065 4.655 -23.640 135 HZ3 LYS 17 HZ3 LYS 17 14.845 6.237 -23.085 136 H LYS 18 H LYS 18 10.106 8.707 -18.575 137 HA LYS 18 HA LYS 18 10.658 9.825 -16.091 138 HB2 LYS 18 HB2 LYS 18 8.708 11.289 -16.511 139 HB3 LYS 18 HB3 LYS 18 9.766 11.153 -17.910 140 HG2 LYS 18 HG2 LYS 18 8.185 9.380 -18.771 141 HG3 LYS 18 HG3 LYS 18 7.081 9.876 -17.486 142 HD2 LYS 18 HD2 LYS 18 8.192 11.671 -19.644 143 HD3 LYS 18 HD3 LYS 18 6.564 10.988 -19.611 144 HE2 LYS 18 HE2 LYS 18 6.778 12.183 -17.147 145 HE3 LYS 18 HE3 LYS 18 7.668 13.289 -18.192 146 HZ1 LYS 18 HZ1 LYS 18 5.777 14.039 -19.031 147 HZ2 LYS 18 HZ2 LYS 18 4.929 13.112 -17.898 148 HZ3 LYS 18 HZ3 LYS 18 5.255 12.481 -19.433 149 H ALA 19 H ALA 19 8.081 7.639 -17.070 150 HA ALA 19 HA ALA 19 6.529 7.827 -14.719 151 HB1 ALA 19 HB1 ALA 19 5.426 5.823 -15.476 152 HB2 ALA 19 HB2 ALA 19 5.717 6.884 -16.856 153 HB3 ALA 19 HB3 ALA 19 6.746 5.476 -16.593 154 H ALA 20 H ALA 20 9.232 5.755 -15.641 155 HA ALA 20 HA ALA 20 9.103 4.021 -13.409 156 HB1 ALA 20 HB1 ALA 20 10.936 3.019 -14.280 157 HB2 ALA 20 HB2 ALA 20 10.475 3.954 -15.704 158 HB3 ALA 20 HB3 ALA 20 11.743 4.548 -14.631 159 H GLN 21 H GLN 21 11.014 6.948 -14.050 160 HA GLN 21 HA GLN 21 12.418 6.928 -11.601 161 HB2 GLN 21 HB2 GLN 21 12.085 8.738 -13.866 162 HB3 GLN 21 HB3 GLN 21 12.269 9.590 -12.338 163 HG2 GLN 21 HG2 GLN 21 14.378 8.631 -11.937 164 HG3 GLN 21 HG3 GLN 21 14.155 7.422 -13.201 165 HE21 GLN 21 HE21 GLN 21 14.446 7.996 -15.342 166 HE22 GLN 21 HE22 GLN 21 15.221 9.468 -15.811 167 H GLY 22 H GLY 22 9.260 8.087 -12.519 168 HA2 GLY 22 HA2 GLY 22 8.723 9.894 -10.477 169 HA3 GLY 22 HA3 GLY 22 7.515 8.889 -11.263 170 H LEU 23 H LEU 23 8.861 6.408 -10.367 171 HA LEU 23 HA LEU 23 7.485 6.132 -7.882 172 HB2 LEU 23 HB2 LEU 23 9.307 4.306 -9.428 173 HB3 LEU 23 HB3 LEU 23 8.561 3.845 -7.899 174 HG LEU 23 HG LEU 23 6.529 4.782 -9.674 175 HD11 LEU 23 HD11 LEU 23 7.891 2.404 -10.846 176 HD12 LEU 23 HD12 LEU 23 8.426 4.021 -11.302 177 HD13 LEU 23 HD13 LEU 23 6.756 3.532 -11.586 178 HD21 LEU 23 HD21 LEU 23 5.474 2.805 -9.071 179 HD22 LEU 23 HD22 LEU 23 6.528 3.125 -7.693 180 HD23 LEU 23 HD23 LEU 23 6.995 1.927 -8.902 181 H CYS 24 H CYS 24 10.268 7.656 -8.491 182 HA CYS 24 HA CYS 24 11.464 6.867 -5.915 183 HB2 CYS 24 HB2 CYS 24 12.644 6.914 -8.498 184 HB3 CYS 24 HB3 CYS 24 13.367 8.224 -7.568 185 H ILE 25 H ILE 25 11.221 9.574 -8.219 186 HA ILE 25 HA ILE 25 11.977 11.562 -6.352 187 HB ILE 25 HB ILE 25 10.368 11.863 -8.890 188 HG12 ILE 25 HG12 ILE 25 12.850 12.818 -9.444 189 HG13 ILE 25 HG13 ILE 25 13.247 11.526 -8.316 190 HG21 ILE 25 HG21 ILE 25 11.862 13.919 -7.267 191 HG22 ILE 25 HG22 ILE 25 11.086 14.204 -8.824 192 HG23 ILE 25 HG23 ILE 25 10.110 13.783 -7.417 193 HD11 ILE 25 HD11 ILE 25 12.795 11.288 -11.036 194 HD12 ILE 25 HD12 ILE 25 12.903 9.977 -9.860 195 HD13 ILE 25 HD13 ILE 25 11.331 10.651 -10.287 196 H THR 26 H THR 26 8.804 10.503 -7.553 197 HA THR 26 HA THR 26 7.360 12.305 -5.854 198 HB THR 26 HB THR 26 6.717 10.496 -8.000 199 HG1 THR 26 HG1 THR 26 6.223 12.869 -7.507 200 HG21 THR 26 HG21 THR 26 5.821 9.014 -6.304 201 HG22 THR 26 HG22 THR 26 4.494 9.783 -7.174 202 HG23 THR 26 HG23 THR 26 4.938 10.347 -5.564 203 H SER 27 H SER 27 8.268 8.903 -5.741 204 HA SER 27 HA SER 27 6.674 8.118 -3.575 205 HB2 SER 27 HB2 SER 27 8.215 6.733 -5.203 206 HB3 SER 27 HB3 SER 27 9.416 6.969 -3.933 207 HG SER 27 HG SER 27 6.851 5.787 -3.643 208 H CYS 28 H CYS 28 9.701 9.848 -3.718 209 HA CYS 28 HA CYS 28 10.372 9.541 -0.961 210 HB2 CYS 28 HB2 CYS 28 11.613 10.591 -3.254 211 HB3 CYS 28 HB3 CYS 28 11.470 11.941 -2.133 212 H SER 29 H SER 29 8.748 12.052 -2.854 213 HA SER 29 HA SER 29 8.508 14.005 -0.892 214 HB2 SER 29 HB2 SER 29 7.798 13.941 -3.448 215 HB3 SER 29 HB3 SER 29 6.220 13.559 -2.761 216 HG SER 29 HG SER 29 7.136 15.915 -3.068 217 H MET 30 H MET 30 6.688 11.061 -1.385 218 HA MET 30 HA MET 30 4.560 11.710 0.400 219 HB2 MET 30 HB2 MET 30 5.410 8.909 -0.281 220 HB3 MET 30 HB3 MET 30 3.795 9.512 0.064 221 HG2 MET 30 HG2 MET 30 4.531 10.959 -2.150 222 HG3 MET 30 HG3 MET 30 5.243 9.375 -2.451 223 HE1 MET 30 HE1 MET 30 1.194 10.730 -3.285 224 HE2 MET 30 HE2 MET 30 2.737 11.559 -3.078 225 HE3 MET 30 HE3 MET 30 2.500 10.463 -4.440 226 H GLN 31 H GLN 31 7.790 10.744 0.845 227 HA GLN 31 HA GLN 31 7.237 9.824 3.582 228 HB2 GLN 31 HB2 GLN 31 9.970 9.591 2.460 229 HB3 GLN 31 HB3 GLN 31 9.072 8.475 3.480 230 HG2 GLN 31 HG2 GLN 31 7.628 8.237 1.259 231 HG3 GLN 31 HG3 GLN 31 9.167 8.701 0.535 232 HE21 GLN 31 HE21 GLN 31 7.578 6.354 2.601 233 HE22 GLN 31 HE22 GLN 31 8.716 5.079 2.347 234 H ASN 32 H ASN 32 7.439 12.643 2.444 235 HA ASN 32 HA ASN 32 8.143 14.673 3.190 236 HB2 ASN 32 HB2 ASN 32 9.447 13.333 5.547 237 HB3 ASN 32 HB3 ASN 32 8.710 14.929 5.458 238 HD21 ASN 32 HD21 ASN 32 6.311 14.815 4.798 239 HD22 ASN 32 HD22 ASN 32 5.366 13.650 5.655 240 H CYS 33 H CYS 33 9.748 13.300 1.352 241 HA CYS 33 HA CYS 33 12.480 13.997 2.195 242 HB2 CYS 33 HB2 CYS 33 11.486 12.126 0.040 243 HB3 CYS 33 HB3 CYS 33 13.177 12.579 0.231 244 H GLY 34 H GLY 34 13.777 14.369 -0.108 245 HA2 GLY 34 HA2 GLY 34 12.438 16.744 -1.230 246 HA3 GLY 34 HA3 GLY 34 14.178 16.516 -1.139 247 H THR 35 H THR 35 14.757 14.241 -2.276 248 HA THR 35 HA THR 35 13.281 13.969 -4.779 249 HB THR 35 HB THR 35 15.078 15.709 -5.124 250 HG1 THR 35 HG1 THR 35 15.746 14.720 -7.102 251 HG21 THR 35 HG21 THR 35 16.701 14.290 -3.640 252 HG22 THR 35 HG22 THR 35 17.330 15.197 -5.016 253 HG23 THR 35 HG23 THR 35 17.050 13.462 -5.157 254 H GLY 36 H GLY 36 14.639 12.255 -6.188 255 HA2 GLY 36 HA2 GLY 36 16.042 10.256 -4.715 256 HA3 GLY 36 HA3 GLY 36 14.364 9.797 -4.963 257 H SER 37 H SER 37 17.269 9.164 -6.097 258 HA SER 37 HA SER 37 16.373 8.982 -8.899 259 HB2 SER 37 HB2 SER 37 18.633 10.271 -7.947 260 HB3 SER 37 HB3 SER 37 19.255 8.714 -8.496 261 HG SER 37 HG SER 37 19.035 10.560 -10.070 262 H CYS 38 H CYS 38 16.707 7.063 -10.005 263 HA CYS 38 HA CYS 38 17.404 4.756 -8.310 264 HB2 CYS 38 HB2 CYS 38 15.900 3.417 -9.620 265 HB3 CYS 38 HB3 CYS 38 15.037 4.871 -9.128 266 H LYS 39 H LYS 39 18.864 3.270 -9.024 267 HA LYS 39 HA LYS 39 19.954 3.546 -11.725 268 HB2 LYS 39 HB2 LYS 39 21.719 3.430 -9.276 269 HB3 LYS 39 HB3 LYS 39 22.240 3.591 -10.948 270 HG2 LYS 39 HG2 LYS 39 20.496 5.644 -9.629 271 HG3 LYS 39 HG3 LYS 39 22.256 5.683 -9.501 272 HD2 LYS 39 HD2 LYS 39 22.256 5.546 -12.060 273 HD3 LYS 39 HD3 LYS 39 20.544 5.963 -11.954 274 HE2 LYS 39 HE2 LYS 39 21.102 8.106 -11.789 275 HE3 LYS 39 HE3 LYS 39 21.939 7.755 -10.278 276 HZ1 LYS 39 HZ1 LYS 39 23.519 8.749 -11.672 277 HZ2 LYS 39 HZ2 LYS 39 23.067 7.823 -13.013 278 HZ3 LYS 39 HZ3 LYS 39 23.883 7.098 -11.721 279 H LYS 40 H LYS 40 20.961 1.679 -12.533 280 HA LYS 40 HA LYS 40 19.924 -0.769 -11.506 281 HB2 LYS 40 HB2 LYS 40 21.406 0.116 -13.874 282 HB3 LYS 40 HB3 LYS 40 21.846 -1.500 -13.337 283 HG2 LYS 40 HG2 LYS 40 19.016 -0.616 -13.850 284 HG3 LYS 40 HG3 LYS 40 20.035 -1.427 -15.042 285 HD2 LYS 40 HD2 LYS 40 20.339 -3.223 -13.200 286 HD3 LYS 40 HD3 LYS 40 18.902 -2.492 -12.481 287 HE2 LYS 40 HE2 LYS 40 18.279 -4.369 -13.885 288 HE3 LYS 40 HE3 LYS 40 17.682 -2.863 -14.580 289 HZ1 LYS 40 HZ1 LYS 40 20.215 -3.313 -15.635 290 HZ2 LYS 40 HZ2 LYS 40 18.731 -3.381 -16.442 291 HZ3 LYS 40 HZ3 LYS 40 19.380 -4.779 -15.745 292 H ARG 41 H ARG 41 20.710 -1.729 -9.754 293 HA ARG 41 HA ARG 41 23.581 -1.532 -9.181 294 HB2 ARG 41 HB2 ARG 41 21.277 -2.374 -7.412 295 HB3 ARG 41 HB3 ARG 41 22.962 -2.312 -6.911 296 HG2 ARG 41 HG2 ARG 41 21.369 0.057 -7.867 297 HG3 ARG 41 HG3 ARG 41 21.649 -0.360 -6.175 298 HD2 ARG 41 HD2 ARG 41 23.824 0.195 -8.188 299 HD3 ARG 41 HD3 ARG 41 23.191 1.381 -7.048 300 HE ARG 41 HE ARG 41 24.093 -0.999 -5.752 301 HH11 ARG 41 HH11 ARG 41 25.135 2.020 -7.138 302 HH12 ARG 41 HH12 ARG 41 26.568 2.120 -6.170 303 HH21 ARG 41 HH21 ARG 41 25.977 -0.878 -4.471 304 HH22 ARG 41 HH22 ARG 41 27.047 0.471 -4.654 305 H SER 42 H SER 42 24.748 -3.157 -9.960 306 HA SER 42 HA SER 42 25.418 -5.241 -10.587 307 HB2 SER 42 HB2 SER 42 24.665 -5.393 -7.958 308 HB3 SER 42 HB3 SER 42 23.697 -6.678 -8.681 309 HG SER 42 HG SER 42 25.507 -7.748 -8.421 310 H GLY 43 H GLY 43 23.085 -4.128 -11.899 311 HA2 GLY 43 HA2 GLY 43 21.806 -4.926 -13.672 312 HA3 GLY 43 HA3 GLY 43 22.140 -6.567 -13.140 313 H ARG 44 H ARG 44 21.035 -4.490 -10.679 314 HA ARG 44 HA ARG 44 18.317 -5.600 -10.939 315 HB2 ARG 44 HB2 ARG 44 19.918 -5.068 -8.431 316 HB3 ARG 44 HB3 ARG 44 18.219 -5.521 -8.446 317 HG2 ARG 44 HG2 ARG 44 20.476 -7.189 -9.538 318 HG3 ARG 44 HG3 ARG 44 19.686 -7.422 -7.977 319 HD2 ARG 44 HD2 ARG 44 17.540 -7.409 -9.613 320 HD3 ARG 44 HD3 ARG 44 18.758 -8.083 -10.695 321 HE ARG 44 HE ARG 44 18.672 -9.327 -8.100 322 HH11 ARG 44 HH11 ARG 44 17.384 -9.326 -11.334 323 HH12 ARG 44 HH12 ARG 44 16.890 -10.985 -11.278 324 HH21 ARG 44 HH21 ARG 44 18.027 -11.513 -8.014 325 HH22 ARG 44 HH22 ARG 44 17.255 -12.228 -9.389 326 HA PRO 45 HA PRO 45 16.994 -1.384 -11.074 327 HB2 PRO 45 HB2 PRO 45 14.347 -1.831 -10.671 328 HB3 PRO 45 HB3 PRO 45 15.155 -2.168 -12.207 329 HG2 PRO 45 HG2 PRO 45 14.431 -4.050 -9.993 330 HG3 PRO 45 HG3 PRO 45 14.268 -4.268 -11.745 331 HD2 PRO 45 HD2 PRO 45 16.302 -5.354 -10.326 332 HD3 PRO 45 HD3 PRO 45 16.489 -4.825 -12.010 333 H THR 46 H THR 46 18.061 -0.743 -9.113 334 HA THR 46 HA THR 46 16.450 -0.942 -6.668 335 HB THR 46 HB THR 46 19.329 -0.090 -7.030 336 HG1 THR 46 HG1 THR 46 18.401 -2.373 -5.637 337 HG21 THR 46 HG21 THR 46 19.415 -0.209 -4.550 338 HG22 THR 46 HG22 THR 46 17.664 -0.418 -4.532 339 HG23 THR 46 HG23 THR 46 18.368 1.078 -5.146 340 H CYS 47 H CYS 47 15.450 0.777 -5.817 341 HA CYS 47 HA CYS 47 15.777 3.356 -7.172 342 HB2 CYS 47 HB2 CYS 47 13.505 2.003 -6.599 343 HB3 CYS 47 HB3 CYS 47 13.631 3.014 -5.163 344 H VAL 48 H VAL 48 16.975 4.863 -6.240 345 HA VAL 48 HA VAL 48 17.376 4.753 -3.325 346 HB VAL 48 HB VAL 48 19.123 6.324 -5.193 347 HG11 VAL 48 HG11 VAL 48 19.190 5.425 -2.381 348 HG12 VAL 48 HG12 VAL 48 20.724 5.387 -3.253 349 HG13 VAL 48 HG13 VAL 48 19.821 6.897 -3.119 350 HG21 VAL 48 HG21 VAL 48 19.598 4.382 -6.233 351 HG22 VAL 48 HG22 VAL 48 20.573 4.078 -4.794 352 HG23 VAL 48 HG23 VAL 48 18.950 3.397 -4.920 353 H CYS 49 H CYS 49 17.233 6.635 -2.090 354 HA CYS 49 HA CYS 49 15.828 8.867 -3.406 355 HB2 CYS 49 HB2 CYS 49 15.198 7.322 -1.041 356 HB3 CYS 49 HB3 CYS 49 15.340 9.033 -0.652 357 H TYR 50 H TYR 50 16.095 10.986 -2.261 358 HA TYR 50 HA TYR 50 18.521 11.327 -0.724 359 HB2 TYR 50 HB2 TYR 50 18.253 12.520 -3.491 360 HB3 TYR 50 HB3 TYR 50 19.495 12.963 -2.325 361 HD1 TYR 50 HD1 TYR 50 21.295 11.398 -1.770 362 HD2 TYR 50 HD2 TYR 50 18.361 10.434 -4.697 363 HE1 TYR 50 HE1 TYR 50 22.726 9.575 -2.596 364 HE2 TYR 50 HE2 TYR 50 19.783 8.608 -5.530 365 HH TYR 50 HH TYR 50 22.973 8.323 -4.885 366 H ARG 51 H ARG 51 18.895 13.789 -0.378 367 HA ARG 51 HA ARG 51 18.102 15.648 0.674 368 HB2 ARG 51 HB2 ARG 51 16.049 15.502 -1.541 369 HB3 ARG 51 HB3 ARG 51 16.406 16.922 -0.566 370 HG2 ARG 51 HG2 ARG 51 18.870 16.287 -1.534 371 HG3 ARG 51 HG3 ARG 51 17.821 15.815 -2.871 372 HD2 ARG 51 HD2 ARG 51 17.266 17.942 -3.351 373 HD3 ARG 51 HD3 ARG 51 17.170 18.403 -1.651 374 HE ARG 51 HE ARG 51 19.830 18.122 -2.073 375 HH11 ARG 51 HH11 ARG 51 17.317 19.906 -3.693 376 HH12 ARG 51 HH12 ARG 51 18.375 21.176 -4.215 377 HH21 ARG 51 HH21 ARG 51 21.232 19.787 -2.754 378 HH22 ARG 51 HH22 ARG 51 20.602 21.106 -3.681 379 H CYS 52 H CYS 52 17.062 13.053 1.559 380 HA CYS 52 HA CYS 52 14.296 13.351 2.201 381 HB2 CYS 52 HB2 CYS 52 15.965 11.231 2.154 382 HB3 CYS 52 HB3 CYS 52 15.981 11.583 3.879 383 H ALA 53 H ALA 53 13.672 13.097 4.632 384 HA ALA 53 HA ALA 53 15.027 15.270 6.083 385 HB1 ALA 53 HB1 ALA 53 12.189 14.398 5.909 386 HB2 ALA 53 HB2 ALA 53 12.750 15.142 7.406 387 HB3 ALA 53 HB3 ALA 53 12.878 16.021 5.883 388 H ASN 54 H ASN 54 14.025 11.943 6.246 389 HA ASN 54 HA ASN 54 14.718 11.737 9.070 390 HB2 ASN 54 HB2 ASN 54 12.759 10.523 7.733 391 HB3 ASN 54 HB3 ASN 54 14.027 9.334 7.447 392 HD21 ASN 54 HD21 ASN 54 11.506 9.895 9.320 393 HD22 ASN 54 HD22 ASN 54 12.019 9.162 10.798 394 H GLY 55 H GLY 55 16.652 12.213 6.753 395 HA2 GLY 55 HA2 GLY 55 18.848 10.838 7.795 396 HA3 GLY 55 HA3 GLY 55 18.250 9.909 6.429 397 H GLY 56 H GLY 56 17.348 12.347 5.019 398 HA2 GLY 56 HA2 GLY 56 18.172 13.809 3.454 399 HA3 GLY 56 HA3 GLY 56 19.454 14.150 4.607 400 H GLY 57 H GLY 57 18.501 11.466 2.451 401 HA2 GLY 57 HA2 GLY 57 20.557 11.558 0.659 402 HA3 GLY 57 HA3 GLY 57 21.244 10.709 2.036 403 H ASP 58 H ASP 58 21.461 8.711 1.138 404 HA ASP 58 HA ASP 58 19.513 7.453 -0.476 405 HB2 ASP 58 HB2 ASP 58 20.821 5.348 0.107 406 HB3 ASP 58 HB3 ASP 58 21.737 6.649 -0.650 407 H ILE 59 H ILE 59 17.512 7.105 0.259 408 HA ILE 59 HA ILE 59 17.209 5.492 2.684 409 HB ILE 59 HB ILE 59 15.375 7.822 2.168 410 HG12 ILE 59 HG12 ILE 59 17.777 8.538 2.565 411 HG13 ILE 59 HG13 ILE 59 16.596 9.159 3.714 412 HG21 ILE 59 HG21 ILE 59 15.769 5.833 4.357 413 HG22 ILE 59 HG22 ILE 59 15.114 7.425 4.734 414 HG23 ILE 59 HG23 ILE 59 14.279 6.377 3.587 415 HD11 ILE 59 HD11 ILE 59 18.019 6.642 4.381 416 HD12 ILE 59 HD12 ILE 59 18.893 8.169 4.503 417 HD13 ILE 59 HD13 ILE 59 17.418 7.920 5.437 418 HA PRO 60 HA PRO 60 14.745 3.503 -0.547 419 HB2 PRO 60 HB2 PRO 60 14.664 1.096 0.706 420 HB3 PRO 60 HB3 PRO 60 16.047 1.633 -0.254 421 HG2 PRO 60 HG2 PRO 60 15.672 1.675 2.715 422 HG3 PRO 60 HG3 PRO 60 17.102 1.211 1.775 423 HD2 PRO 60 HD2 PRO 60 16.862 3.633 2.960 424 HD3 PRO 60 HD3 PRO 60 17.747 3.398 1.440 425 H LEU 61 H LEU 61 12.593 2.818 -0.642 426 HA LEU 61 HA LEU 61 10.764 3.992 1.049 427 HB2 LEU 61 HB2 LEU 61 10.386 1.487 -0.585 428 HB3 LEU 61 HB3 LEU 61 9.092 2.488 0.070 429 HG LEU 61 HG LEU 61 11.006 3.141 -2.156 430 HD11 LEU 61 HD11 LEU 61 9.255 2.149 -3.194 431 HD12 LEU 61 HD12 LEU 61 8.579 3.772 -3.058 432 HD13 LEU 61 HD13 LEU 61 8.124 2.527 -1.894 433 HD21 LEU 61 HD21 LEU 61 11.006 5.171 -1.049 434 HD22 LEU 61 HD22 LEU 61 9.363 4.961 -0.444 435 HD23 LEU 61 HD23 LEU 61 9.635 5.344 -2.144 436 H GLY 62 H GLY 62 12.513 1.044 1.481 437 HA2 GLY 62 HA2 GLY 62 10.754 -0.122 3.416 438 HA3 GLY 62 HA3 GLY 62 12.410 -0.609 3.088 439 H ALA 63 H ALA 63 13.579 1.975 3.580 440 HA ALA 63 HA ALA 63 13.786 1.793 6.444 441 HB1 ALA 63 HB1 ALA 63 15.796 2.186 5.211 442 HB2 ALA 63 HB2 ALA 63 15.106 3.614 4.439 443 HB3 ALA 63 HB3 ALA 63 15.454 3.628 6.168 444 H LEU 64 H LEU 64 12.081 3.765 4.171 445 HA LEU 64 HA LEU 64 11.489 5.811 6.162 446 HB2 LEU 64 HB2 LEU 64 11.239 5.555 3.234 447 HB3 LEU 64 HB3 LEU 64 9.983 6.497 4.034 448 HG LEU 64 HG LEU 64 12.825 7.138 4.642 449 HD11 LEU 64 HD11 LEU 64 13.306 8.155 2.672 450 HD12 LEU 64 HD12 LEU 64 11.614 8.472 2.291 451 HD13 LEU 64 HD13 LEU 64 12.283 6.858 2.055 452 HD21 LEU 64 HD21 LEU 64 11.193 9.384 4.111 453 HD22 LEU 64 HD22 LEU 64 11.817 8.827 5.664 454 HD23 LEU 64 HD23 LEU 64 10.247 8.263 5.091 455 H ILE 65 H ILE 65 10.417 2.839 5.755 456 HA ILE 65 HA ILE 65 7.664 2.924 5.413 457 HB ILE 65 HB ILE 65 9.351 1.091 7.109 458 HG12 ILE 65 HG12 ILE 65 7.971 0.682 4.447 459 HG13 ILE 65 HG13 ILE 65 9.686 1.015 4.656 460 HG21 ILE 65 HG21 ILE 65 6.403 0.967 6.516 461 HG22 ILE 65 HG22 ILE 65 7.343 -0.413 7.084 462 HG23 ILE 65 HG23 ILE 65 7.187 1.024 8.094 463 HD11 ILE 65 HD11 ILE 65 9.882 -1.081 5.953 464 HD12 ILE 65 HD12 ILE 65 8.192 -1.423 5.581 465 HD13 ILE 65 HD13 ILE 65 9.379 -1.325 4.281 466 H LYS 66 H LYS 66 6.319 4.256 6.437 467 HA LYS 66 HA LYS 66 6.795 5.079 9.168 468 HB2 LYS 66 HB2 LYS 66 4.446 5.704 7.370 469 HB3 LYS 66 HB3 LYS 66 4.866 6.527 8.867 470 HG2 LYS 66 HG2 LYS 66 6.620 7.659 7.914 471 HG3 LYS 66 HG3 LYS 66 6.853 6.451 6.649 472 HD2 LYS 66 HD2 LYS 66 4.370 8.134 6.772 473 HD3 LYS 66 HD3 LYS 66 5.839 8.716 5.985 474 HE2 LYS 66 HE2 LYS 66 5.521 6.167 4.971 475 HE3 LYS 66 HE3 LYS 66 3.871 6.779 5.072 476 HZ1 LYS 66 HZ1 LYS 66 4.993 8.869 3.979 477 HZ2 LYS 66 HZ2 LYS 66 4.466 7.565 3.040 478 HZ3 LYS 66 HZ3 LYS 66 6.105 7.717 3.432 479 H ARG 67 H ARG 67 5.607 2.340 7.920 480 HA ARG 67 HA ARG 67 4.354 0.628 8.740 481 HB2 ARG 67 HB2 ARG 67 5.559 1.258 10.860 482 HB3 ARG 67 HB3 ARG 67 4.163 2.239 11.287 483 HG2 ARG 67 HG2 ARG 67 4.283 -0.063 12.314 484 HG3 ARG 67 HG3 ARG 67 2.773 0.357 11.504 485 HD2 ARG 67 HD2 ARG 67 3.543 -1.930 10.979 486 HD3 ARG 67 HD3 ARG 67 3.420 -0.903 9.552 487 HE ARG 67 HE ARG 67 6.049 -0.889 10.657 488 HH11 ARG 67 HH11 ARG 67 3.854 -2.716 8.666 489 HH12 ARG 67 HH12 ARG 67 5.113 -3.511 7.780 490 HH21 ARG 67 HH21 ARG 67 7.716 -1.929 9.499 491 HH22 ARG 67 HH22 ARG 67 7.309 -3.063 8.255 492 H GLY 68 H GLY 68 3.179 3.299 7.707 493 HA2 GLY 68 HA2 GLY 68 1.089 4.115 7.227 494 HA3 GLY 68 HA3 GLY 68 0.508 2.493 7.574 Start of MODEL 13 1 H MET 1 H MET 1 -0.620 -4.055 -4.830 2 HA MET 1 HA MET 1 -2.185 -2.543 -6.790 3 HB2 MET 1 HB2 MET 1 -1.579 -1.729 -4.386 4 HB3 MET 1 HB3 MET 1 -0.012 -1.361 -5.094 5 HG2 MET 1 HG2 MET 1 -0.778 0.460 -6.114 6 HG3 MET 1 HG3 MET 1 -2.228 -0.362 -6.684 7 HE1 MET 1 HE1 MET 1 -4.034 2.531 -5.109 8 HE2 MET 1 HE2 MET 1 -3.150 1.973 -6.530 9 HE3 MET 1 HE3 MET 1 -4.528 1.049 -5.928 10 H ASP 2 H ASP 2 1.097 -3.617 -6.096 11 HA ASP 2 HA ASP 2 1.833 -3.672 -8.819 12 HB2 ASP 2 HB2 ASP 2 2.040 -1.117 -7.653 13 HB3 ASP 2 HB3 ASP 2 3.684 -1.741 -7.744 14 H ILE 3 H ILE 3 4.515 -3.546 -8.779 15 HA ILE 3 HA ILE 3 5.213 -5.652 -6.861 16 HB ILE 3 HB ILE 3 7.005 -4.884 -9.123 17 HG12 ILE 3 HG12 ILE 3 4.527 -6.599 -9.394 18 HG13 ILE 3 HG13 ILE 3 4.777 -5.025 -10.141 19 HG21 ILE 3 HG21 ILE 3 6.781 -7.005 -7.209 20 HG22 ILE 3 HG22 ILE 3 6.717 -7.662 -8.844 21 HG23 ILE 3 HG23 ILE 3 8.083 -6.663 -8.348 22 HD11 ILE 3 HD11 ILE 3 5.940 -7.666 -10.840 23 HD12 ILE 3 HD12 ILE 3 5.276 -6.407 -11.882 24 HD13 ILE 3 HD13 ILE 3 6.877 -6.209 -11.170 25 H ASP 4 H ASP 4 7.471 -5.644 -6.034 26 HA ASP 4 HA ASP 4 8.265 -2.901 -5.319 27 HB2 ASP 4 HB2 ASP 4 7.520 -4.544 -3.501 28 HB3 ASP 4 HB3 ASP 4 9.031 -5.396 -3.810 29 H PHE 5 H PHE 5 9.140 -5.460 -7.240 30 HA PHE 5 HA PHE 5 12.007 -5.200 -6.917 31 HB2 PHE 5 HB2 PHE 5 11.209 -7.401 -7.428 32 HB3 PHE 5 HB3 PHE 5 10.295 -6.811 -8.813 33 HD1 PHE 5 HD1 PHE 5 11.193 -7.108 -10.902 34 HD2 PHE 5 HD2 PHE 5 13.803 -6.892 -7.547 35 HE1 PHE 5 HE1 PHE 5 13.112 -7.579 -12.369 36 HE2 PHE 5 HE2 PHE 5 15.726 -7.362 -9.008 37 HZ PHE 5 HZ PHE 5 15.382 -7.705 -11.423 38 H SER 6 H SER 6 9.605 -4.519 -9.450 39 HA SER 6 HA SER 6 11.589 -3.018 -10.966 40 HB2 SER 6 HB2 SER 6 8.731 -3.148 -11.810 41 HB3 SER 6 HB3 SER 6 10.196 -3.218 -12.789 42 HG SER 6 HG SER 6 8.941 -5.237 -12.502 43 H THR 7 H THR 7 11.936 -0.971 -10.444 44 HA THR 7 HA THR 7 9.678 0.828 -10.098 45 HB THR 7 HB THR 7 11.211 1.786 -8.077 46 HG1 THR 7 HG1 THR 7 11.298 -1.055 -7.838 47 HG21 THR 7 HG21 THR 7 9.185 1.638 -7.164 48 HG22 THR 7 HG22 THR 7 9.468 -0.077 -6.865 49 HG23 THR 7 HG23 THR 7 8.703 0.442 -8.367 50 H CYS 8 H CYS 8 12.128 0.258 -11.864 51 HA CYS 8 HA CYS 8 12.973 3.062 -12.042 52 HB2 CYS 8 HB2 CYS 8 14.690 1.488 -10.901 53 HB3 CYS 8 HB3 CYS 8 14.945 0.845 -12.520 54 H ALA 9 H ALA 9 13.770 3.678 -14.153 55 HA ALA 9 HA ALA 9 12.209 2.565 -16.257 56 HB1 ALA 9 HB1 ALA 9 13.046 4.992 -15.935 57 HB2 ALA 9 HB2 ALA 9 14.509 4.418 -16.738 58 HB3 ALA 9 HB3 ALA 9 12.954 4.326 -17.565 59 H ARG 10 H ARG 10 15.137 1.636 -14.911 60 HA ARG 10 HA ARG 10 16.241 0.557 -17.383 61 HB2 ARG 10 HB2 ARG 10 17.318 0.253 -14.578 62 HB3 ARG 10 HB3 ARG 10 18.178 -0.024 -16.087 63 HG2 ARG 10 HG2 ARG 10 17.156 2.641 -15.125 64 HG3 ARG 10 HG3 ARG 10 18.826 2.080 -15.023 65 HD2 ARG 10 HD2 ARG 10 18.045 1.717 -17.693 66 HD3 ARG 10 HD3 ARG 10 17.445 3.307 -17.223 67 HE ARG 10 HE ARG 10 20.120 3.003 -16.382 68 HH11 ARG 10 HH11 ARG 10 18.209 3.454 -19.256 69 HH12 ARG 10 HH12 ARG 10 19.471 4.263 -20.126 70 HH21 ARG 10 HH21 ARG 10 21.789 4.066 -17.516 71 HH22 ARG 10 HH22 ARG 10 21.507 4.610 -19.135 72 H MET 11 H MET 11 13.696 -0.415 -16.161 73 HA MET 11 HA MET 11 14.419 -3.161 -15.445 74 HB2 MET 11 HB2 MET 11 12.238 -1.375 -14.775 75 HB3 MET 11 HB3 MET 11 11.635 -2.916 -15.371 76 HG2 MET 11 HG2 MET 11 13.776 -2.888 -13.301 77 HG3 MET 11 HG3 MET 11 12.108 -2.561 -12.834 78 HE1 MET 11 HE1 MET 11 13.815 -5.708 -15.236 79 HE2 MET 11 HE2 MET 11 14.716 -4.719 -14.086 80 HE3 MET 11 HE3 MET 11 14.216 -6.352 -13.643 81 H ASP 12 H ASP 12 12.387 -4.659 -16.277 82 HA ASP 12 HA ASP 12 12.902 -5.011 -19.039 83 HB2 ASP 12 HB2 ASP 12 11.856 -6.571 -17.008 84 HB3 ASP 12 HB3 ASP 12 10.474 -6.314 -18.069 85 H VAL 13 H VAL 13 10.698 -3.044 -17.349 86 HA VAL 13 HA VAL 13 9.059 -2.686 -19.771 87 HB VAL 13 HB VAL 13 7.452 -1.526 -18.144 88 HG11 VAL 13 HG11 VAL 13 7.909 -4.494 -17.861 89 HG12 VAL 13 HG12 VAL 13 6.404 -3.635 -17.529 90 HG13 VAL 13 HG13 VAL 13 7.034 -3.711 -19.175 91 HG21 VAL 13 HG21 VAL 13 9.154 -3.042 -16.168 92 HG22 VAL 13 HG22 VAL 13 8.978 -1.290 -16.269 93 HG23 VAL 13 HG23 VAL 13 7.600 -2.290 -15.809 94 HA PRO 14 HA PRO 14 11.624 1.147 -19.400 95 HB2 PRO 14 HB2 PRO 14 12.049 1.385 -22.071 96 HB3 PRO 14 HB3 PRO 14 13.066 0.391 -21.022 97 HG2 PRO 14 HG2 PRO 14 10.819 -0.436 -22.819 98 HG3 PRO 14 HG3 PRO 14 12.396 -1.208 -22.571 99 HD2 PRO 14 HD2 PRO 14 10.131 -2.109 -21.392 100 HD3 PRO 14 HD3 PRO 14 11.725 -2.240 -20.622 101 H ILE 15 H ILE 15 8.666 0.246 -20.780 102 HA ILE 15 HA ILE 15 7.854 2.412 -22.276 103 HB ILE 15 HB ILE 15 6.165 0.861 -20.310 104 HG12 ILE 15 HG12 ILE 15 5.879 0.234 -23.141 105 HG13 ILE 15 HG13 ILE 15 7.515 -0.059 -22.560 106 HG21 ILE 15 HG21 ILE 15 5.098 2.937 -21.003 107 HG22 ILE 15 HG22 ILE 15 5.364 2.521 -22.696 108 HG23 ILE 15 HG23 ILE 15 4.276 1.545 -21.708 109 HD11 ILE 15 HD11 ILE 15 5.101 -1.122 -21.136 110 HD12 ILE 15 HD12 ILE 15 5.888 -1.993 -22.452 111 HD13 ILE 15 HD13 ILE 15 6.783 -1.625 -20.978 112 H LEU 16 H LEU 16 7.964 4.500 -21.804 113 HA LEU 16 HA LEU 16 7.800 6.485 -20.708 114 HB2 LEU 16 HB2 LEU 16 5.718 4.794 -19.503 115 HB3 LEU 16 HB3 LEU 16 6.214 6.177 -18.529 116 HG LEU 16 HG LEU 16 5.585 6.751 -21.355 117 HD11 LEU 16 HD11 LEU 16 3.349 6.354 -21.320 118 HD12 LEU 16 HD12 LEU 16 3.235 6.494 -19.566 119 HD13 LEU 16 HD13 LEU 16 3.876 5.020 -20.293 120 HD21 LEU 16 HD21 LEU 16 5.458 8.801 -20.517 121 HD22 LEU 16 HD22 LEU 16 5.905 8.149 -18.941 122 HD23 LEU 16 HD23 LEU 16 4.204 8.302 -19.381 123 H LYS 17 H LYS 17 10.049 6.214 -20.127 124 HA LYS 17 HA LYS 17 10.984 5.031 -17.786 125 HB2 LYS 17 HB2 LYS 17 12.115 7.524 -19.064 126 HB3 LYS 17 HB3 LYS 17 12.976 6.359 -18.067 127 HG2 LYS 17 HG2 LYS 17 11.946 4.829 -20.125 128 HG3 LYS 17 HG3 LYS 17 12.438 6.331 -20.911 129 HD2 LYS 17 HD2 LYS 17 14.668 6.100 -20.189 130 HD3 LYS 17 HD3 LYS 17 14.241 4.860 -19.007 131 HE2 LYS 17 HE2 LYS 17 14.888 3.386 -20.556 132 HE3 LYS 17 HE3 LYS 17 13.378 3.773 -21.380 133 HZ1 LYS 17 HZ1 LYS 17 15.413 3.921 -22.785 134 HZ2 LYS 17 HZ2 LYS 17 15.913 5.238 -21.850 135 HZ3 LYS 17 HZ3 LYS 17 14.486 5.336 -22.752 136 H LYS 18 H LYS 18 9.671 8.256 -18.344 137 HA LYS 18 HA LYS 18 10.306 9.453 -15.917 138 HB2 LYS 18 HB2 LYS 18 8.801 10.127 -18.152 139 HB3 LYS 18 HB3 LYS 18 7.631 10.148 -16.840 140 HG2 LYS 18 HG2 LYS 18 8.748 11.841 -15.703 141 HG3 LYS 18 HG3 LYS 18 10.254 11.567 -16.582 142 HD2 LYS 18 HD2 LYS 18 9.308 12.481 -18.595 143 HD3 LYS 18 HD3 LYS 18 7.716 12.602 -17.842 144 HE2 LYS 18 HE2 LYS 18 9.445 13.983 -16.140 145 HE3 LYS 18 HE3 LYS 18 9.934 14.447 -17.769 146 HZ1 LYS 18 HZ1 LYS 18 7.523 14.911 -18.195 147 HZ2 LYS 18 HZ2 LYS 18 8.273 15.958 -17.099 148 HZ3 LYS 18 HZ3 LYS 18 7.256 14.731 -16.534 149 H ALA 19 H ALA 19 7.688 7.251 -16.740 150 HA ALA 19 HA ALA 19 6.189 7.527 -14.372 151 HB1 ALA 19 HB1 ALA 19 5.091 5.485 -15.006 152 HB2 ALA 19 HB2 ALA 19 5.370 6.455 -16.453 153 HB3 ALA 19 HB3 ALA 19 6.407 5.071 -16.105 154 H ALA 20 H ALA 20 8.764 5.251 -15.270 155 HA ALA 20 HA ALA 20 8.733 3.708 -12.935 156 HB1 ALA 20 HB1 ALA 20 11.330 4.216 -14.283 157 HB2 ALA 20 HB2 ALA 20 10.610 2.699 -13.744 158 HB3 ALA 20 HB3 ALA 20 10.039 3.469 -15.224 159 H GLN 21 H GLN 21 10.627 6.603 -13.748 160 HA GLN 21 HA GLN 21 12.091 6.714 -11.347 161 HB2 GLN 21 HB2 GLN 21 11.628 8.445 -13.655 162 HB3 GLN 21 HB3 GLN 21 11.860 9.343 -12.161 163 HG2 GLN 21 HG2 GLN 21 14.006 8.473 -11.836 164 HG3 GLN 21 HG3 GLN 21 13.750 7.178 -13.004 165 HE21 GLN 21 HE21 GLN 21 15.417 9.882 -12.554 166 HE22 GLN 21 HE22 GLN 21 15.558 10.454 -14.178 167 H GLY 22 H GLY 22 8.881 7.789 -12.198 168 HA2 GLY 22 HA2 GLY 22 8.375 9.642 -10.190 169 HA3 GLY 22 HA3 GLY 22 7.161 8.593 -10.908 170 H LEU 23 H LEU 23 8.581 6.163 -9.988 171 HA LEU 23 HA LEU 23 7.288 5.932 -7.454 172 HB2 LEU 23 HB2 LEU 23 9.254 4.019 -8.694 173 HB3 LEU 23 HB3 LEU 23 8.052 3.662 -7.455 174 HG LEU 23 HG LEU 23 7.601 4.202 -10.380 175 HD11 LEU 23 HD11 LEU 23 6.275 2.000 -9.964 176 HD12 LEU 23 HD12 LEU 23 7.314 1.866 -8.546 177 HD13 LEU 23 HD13 LEU 23 8.028 1.952 -10.156 178 HD21 LEU 23 HD21 LEU 23 5.137 3.708 -9.533 179 HD22 LEU 23 HD22 LEU 23 5.788 5.346 -9.615 180 HD23 LEU 23 HD23 LEU 23 5.754 4.486 -8.075 181 H CYS 24 H CYS 24 10.015 7.498 -8.186 182 HA CYS 24 HA CYS 24 11.301 6.809 -5.625 183 HB2 CYS 24 HB2 CYS 24 12.408 6.774 -8.237 184 HB3 CYS 24 HB3 CYS 24 13.134 8.132 -7.384 185 H ILE 25 H ILE 25 10.954 9.429 -8.015 186 HA ILE 25 HA ILE 25 11.739 11.495 -6.253 187 HB ILE 25 HB ILE 25 10.037 11.660 -8.743 188 HG12 ILE 25 HG12 ILE 25 12.447 12.670 -9.432 189 HG13 ILE 25 HG13 ILE 25 12.950 11.480 -8.237 190 HG21 ILE 25 HG21 ILE 25 11.387 13.782 -7.093 191 HG22 ILE 25 HG22 ILE 25 10.862 14.044 -8.755 192 HG23 ILE 25 HG23 ILE 25 9.678 13.649 -7.508 193 HD11 ILE 25 HD11 ILE 25 11.015 10.430 -10.133 194 HD12 ILE 25 HD12 ILE 25 12.499 11.004 -10.894 195 HD13 ILE 25 HD13 ILE 25 12.575 9.784 -9.623 196 H THR 26 H THR 26 8.540 10.340 -7.282 197 HA THR 26 HA THR 26 7.131 12.182 -5.599 198 HB THR 26 HB THR 26 6.437 10.266 -7.634 199 HG1 THR 26 HG1 THR 26 5.883 12.494 -7.637 200 HG21 THR 26 HG21 THR 26 4.263 9.553 -6.683 201 HG22 THR 26 HG22 THR 26 4.766 10.197 -5.119 202 HG23 THR 26 HG23 THR 26 5.641 8.846 -5.840 203 H SER 27 H SER 27 8.110 8.805 -5.378 204 HA SER 27 HA SER 27 6.626 8.082 -3.118 205 HB2 SER 27 HB2 SER 27 8.160 6.675 -4.748 206 HB3 SER 27 HB3 SER 27 9.378 6.977 -3.509 207 HG SER 27 HG SER 27 6.821 5.995 -2.834 208 H CYS 28 H CYS 28 9.607 9.868 -3.454 209 HA CYS 28 HA CYS 28 10.380 9.705 -0.711 210 HB2 CYS 28 HB2 CYS 28 11.511 10.682 -3.100 211 HB3 CYS 28 HB3 CYS 28 11.399 12.064 -2.016 212 H SER 29 H SER 29 8.687 12.126 -2.668 213 HA SER 29 HA SER 29 8.461 14.141 -0.766 214 HB2 SER 29 HB2 SER 29 7.715 13.985 -3.310 215 HB3 SER 29 HB3 SER 29 6.148 13.624 -2.584 216 HG SER 29 HG SER 29 7.537 15.988 -2.686 217 H MET 30 H MET 30 6.664 11.167 -1.132 218 HA MET 30 HA MET 30 4.550 11.859 0.654 219 HB2 MET 30 HB2 MET 30 5.425 9.045 0.056 220 HB3 MET 30 HB3 MET 30 3.808 9.637 0.412 221 HG2 MET 30 HG2 MET 30 4.494 11.020 -1.863 222 HG3 MET 30 HG3 MET 30 5.206 9.429 -2.123 223 HE1 MET 30 HE1 MET 30 2.614 11.625 -2.612 224 HE2 MET 30 HE2 MET 30 1.208 10.687 -3.118 225 HE3 MET 30 HE3 MET 30 1.406 11.134 -1.423 226 H GLN 31 H GLN 31 7.795 10.948 1.096 227 HA GLN 31 HA GLN 31 7.282 10.130 3.874 228 HB2 GLN 31 HB2 GLN 31 9.998 9.854 2.715 229 HB3 GLN 31 HB3 GLN 31 9.125 8.785 3.805 230 HG2 GLN 31 HG2 GLN 31 7.644 8.497 1.580 231 HG3 GLN 31 HG3 GLN 31 9.220 8.832 0.865 232 HE21 GLN 31 HE21 GLN 31 7.496 6.727 3.090 233 HE22 GLN 31 HE22 GLN 31 8.555 5.372 2.922 234 H ASN 32 H ASN 32 7.483 12.899 2.594 235 HA ASN 32 HA ASN 32 8.185 14.960 3.256 236 HB2 ASN 32 HB2 ASN 32 9.519 13.700 5.644 237 HB3 ASN 32 HB3 ASN 32 8.813 15.307 5.503 238 HD21 ASN 32 HD21 ASN 32 6.374 14.956 4.576 239 HD22 ASN 32 HD22 ASN 32 5.431 13.946 5.614 240 H CYS 33 H CYS 33 9.760 13.517 1.447 241 HA CYS 33 HA CYS 33 12.509 14.225 2.219 242 HB2 CYS 33 HB2 CYS 33 11.461 12.327 0.114 243 HB3 CYS 33 HB3 CYS 33 13.158 12.768 0.269 244 H GLY 34 H GLY 34 13.753 14.527 -0.136 245 HA2 GLY 34 HA2 GLY 34 12.418 16.902 -1.263 246 HA3 GLY 34 HA3 GLY 34 14.157 16.657 -1.207 247 H THR 35 H THR 35 14.693 14.365 -2.321 248 HA THR 35 HA THR 35 13.151 14.048 -4.776 249 HB THR 35 HB THR 35 14.928 15.786 -5.209 250 HG1 THR 35 HG1 THR 35 14.018 14.317 -6.838 251 HG21 THR 35 HG21 THR 35 17.185 15.289 -5.151 252 HG22 THR 35 HG22 THR 35 16.912 13.550 -5.248 253 HG23 THR 35 HG23 THR 35 16.599 14.409 -3.741 254 H GLY 36 H GLY 36 14.476 12.313 -6.194 255 HA2 GLY 36 HA2 GLY 36 15.929 10.346 -4.728 256 HA3 GLY 36 HA3 GLY 36 14.245 9.878 -4.914 257 H SER 37 H SER 37 17.103 9.209 -6.120 258 HA SER 37 HA SER 37 16.124 8.977 -8.891 259 HB2 SER 37 HB2 SER 37 18.297 10.401 -8.191 260 HB3 SER 37 HB3 SER 37 19.045 8.815 -8.378 261 HG SER 37 HG SER 37 19.078 9.866 -10.354 262 H CYS 38 H CYS 38 16.409 7.035 -9.961 263 HA CYS 38 HA CYS 38 17.189 4.768 -8.249 264 HB2 CYS 38 HB2 CYS 38 15.628 3.398 -9.449 265 HB3 CYS 38 HB3 CYS 38 14.785 4.867 -8.968 266 H LYS 39 H LYS 39 18.593 3.242 -9.014 267 HA LYS 39 HA LYS 39 19.539 3.425 -11.768 268 HB2 LYS 39 HB2 LYS 39 21.500 3.456 -9.476 269 HB3 LYS 39 HB3 LYS 39 21.844 3.654 -11.189 270 HG2 LYS 39 HG2 LYS 39 20.716 5.798 -11.198 271 HG3 LYS 39 HG3 LYS 39 20.276 5.594 -9.501 272 HD2 LYS 39 HD2 LYS 39 22.483 5.841 -8.776 273 HD3 LYS 39 HD3 LYS 39 23.143 5.504 -10.378 274 HE2 LYS 39 HE2 LYS 39 21.399 7.794 -10.456 275 HE3 LYS 39 HE3 LYS 39 22.646 8.007 -9.228 276 HZ1 LYS 39 HZ1 LYS 39 22.892 7.892 -12.115 277 HZ2 LYS 39 HZ2 LYS 39 24.091 7.065 -11.255 278 HZ3 LYS 39 HZ3 LYS 39 23.838 8.715 -10.979 279 H LYS 40 H LYS 40 20.984 1.599 -12.335 280 HA LYS 40 HA LYS 40 19.926 -0.849 -11.250 281 HB2 LYS 40 HB2 LYS 40 21.543 -0.051 -13.587 282 HB3 LYS 40 HB3 LYS 40 21.881 -1.657 -12.956 283 HG2 LYS 40 HG2 LYS 40 19.128 -0.689 -13.688 284 HG3 LYS 40 HG3 LYS 40 20.186 -1.587 -14.779 285 HD2 LYS 40 HD2 LYS 40 20.302 -3.312 -12.847 286 HD3 LYS 40 HD3 LYS 40 18.849 -2.502 -12.259 287 HE2 LYS 40 HE2 LYS 40 18.252 -4.415 -13.626 288 HE3 LYS 40 HE3 LYS 40 17.760 -2.920 -14.420 289 HZ1 LYS 40 HZ1 LYS 40 18.910 -3.553 -16.183 290 HZ2 LYS 40 HZ2 LYS 40 19.458 -4.942 -15.388 291 HZ3 LYS 40 HZ3 LYS 40 20.340 -3.502 -15.280 292 H ARG 41 H ARG 41 20.691 -1.663 -9.416 293 HA ARG 41 HA ARG 41 23.513 -1.263 -8.733 294 HB2 ARG 41 HB2 ARG 41 21.215 -2.245 -7.031 295 HB3 ARG 41 HB3 ARG 41 22.858 -1.972 -6.467 296 HG2 ARG 41 HG2 ARG 41 20.999 0.133 -7.556 297 HG3 ARG 41 HG3 ARG 41 21.378 -0.137 -5.854 298 HD2 ARG 41 HD2 ARG 41 23.829 0.098 -7.251 299 HD3 ARG 41 HD3 ARG 41 22.789 1.420 -7.779 300 HE ARG 41 HE ARG 41 22.925 2.338 -5.673 301 HH11 ARG 41 HH11 ARG 41 24.237 -0.886 -5.643 302 HH12 ARG 41 HH12 ARG 41 24.911 -0.737 -4.054 303 HH21 ARG 41 HH21 ARG 41 23.807 2.546 -3.580 304 HH22 ARG 41 HH22 ARG 41 24.665 1.215 -2.881 305 H SER 42 H SER 42 24.712 -2.814 -9.673 306 HA SER 42 HA SER 42 25.598 -4.865 -10.102 307 HB2 SER 42 HB2 SER 42 24.759 -5.012 -7.507 308 HB3 SER 42 HB3 SER 42 23.881 -6.360 -8.230 309 HG SER 42 HG SER 42 26.079 -6.791 -7.407 310 H GLY 43 H GLY 43 23.181 -3.926 -11.476 311 HA2 GLY 43 HA2 GLY 43 22.077 -4.860 -13.314 312 HA3 GLY 43 HA3 GLY 43 22.473 -6.462 -12.708 313 H ARG 44 H ARG 44 21.160 -4.417 -10.342 314 HA ARG 44 HA ARG 44 18.501 -5.631 -10.724 315 HB2 ARG 44 HB2 ARG 44 19.972 -5.059 -8.146 316 HB3 ARG 44 HB3 ARG 44 18.290 -5.565 -8.235 317 HG2 ARG 44 HG2 ARG 44 20.597 -7.169 -9.311 318 HG3 ARG 44 HG3 ARG 44 19.879 -7.396 -7.715 319 HD2 ARG 44 HD2 ARG 44 17.685 -7.785 -8.846 320 HD3 ARG 44 HD3 ARG 44 18.536 -7.746 -10.390 321 HE ARG 44 HE ARG 44 19.861 -9.621 -8.897 322 HH11 ARG 44 HH11 ARG 44 16.580 -9.149 -9.960 323 HH12 ARG 44 HH12 ARG 44 16.220 -10.843 -10.026 324 HH21 ARG 44 HH21 ARG 44 19.400 -11.853 -8.980 325 HH22 ARG 44 HH22 ARG 44 17.824 -12.380 -9.467 326 HA PRO 45 HA PRO 45 17.010 -1.476 -10.890 327 HB2 PRO 45 HB2 PRO 45 14.373 -2.022 -10.547 328 HB3 PRO 45 HB3 PRO 45 15.230 -2.334 -12.061 329 HG2 PRO 45 HG2 PRO 45 14.526 -4.233 -9.857 330 HG3 PRO 45 HG3 PRO 45 14.412 -4.464 -11.611 331 HD2 PRO 45 HD2 PRO 45 16.452 -5.466 -10.139 332 HD3 PRO 45 HD3 PRO 45 16.658 -4.937 -11.821 333 H THR 46 H THR 46 17.944 -0.684 -8.954 334 HA THR 46 HA THR 46 16.290 -0.954 -6.536 335 HB THR 46 HB THR 46 19.161 -0.041 -6.805 336 HG1 THR 46 HG1 THR 46 17.918 -2.471 -6.114 337 HG21 THR 46 HG21 THR 46 18.904 -0.493 -4.198 338 HG22 THR 46 HG22 THR 46 17.236 -0.033 -4.540 339 HG23 THR 46 HG23 THR 46 18.552 1.081 -4.910 340 H CYS 47 H CYS 47 15.424 0.805 -5.539 341 HA CYS 47 HA CYS 47 15.618 3.347 -6.999 342 HB2 CYS 47 HB2 CYS 47 13.391 1.965 -6.291 343 HB3 CYS 47 HB3 CYS 47 13.554 3.041 -4.907 344 H VAL 48 H VAL 48 16.822 4.895 -6.144 345 HA VAL 48 HA VAL 48 17.318 4.861 -3.241 346 HB VAL 48 HB VAL 48 19.009 6.387 -5.194 347 HG11 VAL 48 HG11 VAL 48 20.667 5.487 -3.287 348 HG12 VAL 48 HG12 VAL 48 19.764 6.997 -3.149 349 HG13 VAL 48 HG13 VAL 48 19.162 5.533 -2.370 350 HG21 VAL 48 HG21 VAL 48 20.485 4.173 -4.832 351 HG22 VAL 48 HG22 VAL 48 18.873 3.459 -4.826 352 HG23 VAL 48 HG23 VAL 48 19.412 4.406 -6.213 353 H CYS 49 H CYS 49 17.191 6.773 -2.057 354 HA CYS 49 HA CYS 49 15.762 8.970 -3.404 355 HB2 CYS 49 HB2 CYS 49 15.148 7.473 -1.013 356 HB3 CYS 49 HB3 CYS 49 15.335 9.182 -0.631 357 H TYR 50 H TYR 50 16.035 11.113 -2.283 358 HA TYR 50 HA TYR 50 18.498 11.487 -0.814 359 HB2 TYR 50 HB2 TYR 50 18.155 12.637 -3.590 360 HB3 TYR 50 HB3 TYR 50 19.422 13.106 -2.462 361 HD1 TYR 50 HD1 TYR 50 18.247 10.533 -4.767 362 HD2 TYR 50 HD2 TYR 50 21.244 11.559 -1.926 363 HE1 TYR 50 HE1 TYR 50 19.661 8.704 -5.606 364 HE2 TYR 50 HE2 TYR 50 22.667 9.734 -2.759 365 HH TYR 50 HH TYR 50 22.826 8.012 -4.150 366 H ARG 51 H ARG 51 18.869 13.952 -0.507 367 HA ARG 51 HA ARG 51 18.092 15.821 0.542 368 HB2 ARG 51 HB2 ARG 51 15.983 15.648 -1.618 369 HB3 ARG 51 HB3 ARG 51 16.378 17.081 -0.678 370 HG2 ARG 51 HG2 ARG 51 18.809 16.416 -1.705 371 HG3 ARG 51 HG3 ARG 51 17.720 15.923 -3.003 372 HD2 ARG 51 HD2 ARG 51 17.175 18.042 -3.516 373 HD3 ARG 51 HD3 ARG 51 17.101 18.534 -1.824 374 HE ARG 51 HE ARG 51 19.769 18.200 -2.357 375 HH11 ARG 51 HH11 ARG 51 17.181 20.123 -3.672 376 HH12 ARG 51 HH12 ARG 51 18.219 21.422 -4.158 377 HH21 ARG 51 HH21 ARG 51 21.145 19.905 -2.993 378 HH22 ARG 51 HH22 ARG 51 20.474 21.297 -3.772 379 H CYS 52 H CYS 52 17.076 13.231 1.475 380 HA CYS 52 HA CYS 52 14.325 13.535 2.176 381 HB2 CYS 52 HB2 CYS 52 15.991 11.413 2.106 382 HB3 CYS 52 HB3 CYS 52 16.044 11.776 3.828 383 H ALA 53 H ALA 53 13.760 13.296 4.625 384 HA ALA 53 HA ALA 53 15.150 15.478 6.028 385 HB1 ALA 53 HB1 ALA 53 12.310 14.635 5.882 386 HB2 ALA 53 HB2 ALA 53 12.884 15.316 7.405 387 HB3 ALA 53 HB3 ALA 53 13.015 16.252 5.916 388 H ASN 54 H ASN 54 14.123 12.157 6.248 389 HA ASN 54 HA ASN 54 14.894 11.970 9.052 390 HB2 ASN 54 HB2 ASN 54 12.854 10.801 8.044 391 HB3 ASN 54 HB3 ASN 54 13.997 9.696 7.286 392 HD21 ASN 54 HD21 ASN 54 13.789 7.853 8.351 393 HD22 ASN 54 HD22 ASN 54 13.883 7.667 10.066 394 H GLY 55 H GLY 55 16.769 12.414 6.680 395 HA2 GLY 55 HA2 GLY 55 18.979 11.020 7.679 396 HA3 GLY 55 HA3 GLY 55 18.344 10.104 6.320 397 H GLY 56 H GLY 56 17.436 12.548 4.935 398 HA2 GLY 56 HA2 GLY 56 18.241 14.006 3.356 399 HA3 GLY 56 HA3 GLY 56 19.539 14.345 4.492 400 H GLY 57 H GLY 57 18.553 11.662 2.348 401 HA2 GLY 57 HA2 GLY 57 20.572 11.746 0.521 402 HA3 GLY 57 HA3 GLY 57 21.295 10.914 1.891 403 H ASP 58 H ASP 58 21.509 8.912 0.998 404 HA ASP 58 HA ASP 58 19.534 7.626 -0.560 405 HB2 ASP 58 HB2 ASP 58 20.874 5.540 -0.013 406 HB3 ASP 58 HB3 ASP 58 21.769 6.851 -0.776 407 H ILE 59 H ILE 59 17.556 7.253 0.222 408 HA ILE 59 HA ILE 59 17.329 5.662 2.670 409 HB ILE 59 HB ILE 59 15.451 7.959 2.172 410 HG12 ILE 59 HG12 ILE 59 17.857 8.708 2.502 411 HG13 ILE 59 HG13 ILE 59 16.690 9.339 3.659 412 HG21 ILE 59 HG21 ILE 59 14.400 6.549 3.643 413 HG22 ILE 59 HG22 ILE 59 15.912 5.981 4.349 414 HG23 ILE 59 HG23 ILE 59 15.291 7.578 4.764 415 HD11 ILE 59 HD11 ILE 59 17.521 8.070 5.386 416 HD12 ILE 59 HD12 ILE 59 18.226 6.868 4.305 417 HD13 ILE 59 HD13 ILE 59 18.982 8.452 4.476 418 HA PRO 60 HA PRO 60 14.815 3.584 -0.455 419 HB2 PRO 60 HB2 PRO 60 14.734 1.220 0.878 420 HB3 PRO 60 HB3 PRO 60 16.113 1.720 -0.109 421 HG2 PRO 60 HG2 PRO 60 15.757 1.862 2.860 422 HG3 PRO 60 HG3 PRO 60 17.179 1.361 1.927 423 HD2 PRO 60 HD2 PRO 60 16.955 3.823 3.033 424 HD3 PRO 60 HD3 PRO 60 17.830 3.534 1.515 425 H LEU 61 H LEU 61 12.657 2.948 -0.524 426 HA LEU 61 HA LEU 61 10.856 4.165 1.168 427 HB2 LEU 61 HB2 LEU 61 10.685 1.940 -0.791 428 HB3 LEU 61 HB3 LEU 61 9.313 2.195 0.285 429 HG LEU 61 HG LEU 61 9.051 3.275 -1.924 430 HD11 LEU 61 HD11 LEU 61 8.728 5.669 -0.855 431 HD12 LEU 61 HD12 LEU 61 9.016 4.776 0.638 432 HD13 LEU 61 HD13 LEU 61 7.686 4.312 -0.423 433 HD21 LEU 61 HD21 LEU 61 10.371 5.275 -2.431 434 HD22 LEU 61 HD22 LEU 61 11.381 3.832 -2.351 435 HD23 LEU 61 HD23 LEU 61 11.368 4.975 -1.008 436 H GLY 62 H GLY 62 12.582 1.215 1.627 437 HA2 GLY 62 HA2 GLY 62 10.803 0.120 3.605 438 HA3 GLY 62 HA3 GLY 62 12.419 -0.455 3.221 439 H ALA 63 H ALA 63 13.704 2.106 3.647 440 HA ALA 63 HA ALA 63 14.039 1.911 6.498 441 HB1 ALA 63 HB1 ALA 63 15.808 3.559 6.201 442 HB2 ALA 63 HB2 ALA 63 15.959 2.258 5.020 443 HB3 ALA 63 HB3 ALA 63 15.301 3.819 4.532 444 H LEU 64 H LEU 64 12.282 3.932 4.312 445 HA LEU 64 HA LEU 64 11.873 6.020 6.296 446 HB2 LEU 64 HB2 LEU 64 11.456 5.713 3.410 447 HB3 LEU 64 HB3 LEU 64 10.190 6.618 4.238 448 HG LEU 64 HG LEU 64 13.026 7.387 4.721 449 HD11 LEU 64 HD11 LEU 64 12.315 7.057 2.153 450 HD12 LEU 64 HD12 LEU 64 13.406 8.326 2.707 451 HD13 LEU 64 HD13 LEU 64 11.703 8.687 2.430 452 HD21 LEU 64 HD21 LEU 64 10.424 8.409 5.266 453 HD22 LEU 64 HD22 LEU 64 11.276 9.553 4.229 454 HD23 LEU 64 HD23 LEU 64 11.991 9.050 5.761 455 H ILE 65 H ILE 65 10.722 3.067 6.095 456 HA ILE 65 HA ILE 65 7.916 3.327 6.039 457 HB ILE 65 HB ILE 65 9.657 1.246 7.358 458 HG12 ILE 65 HG12 ILE 65 8.099 1.251 4.764 459 HG13 ILE 65 HG13 ILE 65 9.849 1.343 4.919 460 HG21 ILE 65 HG21 ILE 65 6.673 1.269 6.936 461 HG22 ILE 65 HG22 ILE 65 7.609 -0.144 7.421 462 HG23 ILE 65 HG23 ILE 65 7.526 1.264 8.480 463 HD11 ILE 65 HD11 ILE 65 9.838 -0.894 5.951 464 HD12 ILE 65 HD12 ILE 65 8.098 -0.982 5.675 465 HD13 ILE 65 HD13 ILE 65 9.205 -0.885 4.305 466 H LYS 66 H LYS 66 6.562 4.189 7.458 467 HA LYS 66 HA LYS 66 7.538 4.756 10.170 468 HB2 LYS 66 HB2 LYS 66 5.156 5.947 8.739 469 HB3 LYS 66 HB3 LYS 66 5.817 6.465 10.285 470 HG2 LYS 66 HG2 LYS 66 7.642 7.482 9.319 471 HG3 LYS 66 HG3 LYS 66 7.553 6.494 7.859 472 HD2 LYS 66 HD2 LYS 66 5.416 8.483 8.578 473 HD3 LYS 66 HD3 LYS 66 6.852 8.939 7.657 474 HE2 LYS 66 HE2 LYS 66 5.936 8.156 5.792 475 HE3 LYS 66 HE3 LYS 66 5.740 6.566 6.528 476 HZ1 LYS 66 HZ1 LYS 66 3.578 7.026 6.166 477 HZ2 LYS 66 HZ2 LYS 66 3.797 8.703 6.183 478 HZ3 LYS 66 HZ3 LYS 66 3.709 7.847 7.639 479 H ARG 67 H ARG 67 5.941 2.384 8.708 480 HA ARG 67 HA ARG 67 4.563 0.719 9.421 481 HB2 ARG 67 HB2 ARG 67 5.602 1.903 11.858 482 HB3 ARG 67 HB3 ARG 67 3.981 1.265 12.094 483 HG2 ARG 67 HG2 ARG 67 5.784 -0.348 12.618 484 HG3 ARG 67 HG3 ARG 67 4.664 -0.913 11.377 485 HD2 ARG 67 HD2 ARG 67 6.300 -1.097 9.878 486 HD3 ARG 67 HD3 ARG 67 6.867 0.539 10.209 487 HE ARG 67 HE ARG 67 7.829 -0.843 12.306 488 HH11 ARG 67 HH11 ARG 67 7.943 -1.401 8.872 489 HH12 ARG 67 HH12 ARG 67 9.465 -2.228 8.925 490 HH21 ARG 67 HH21 ARG 67 9.832 -1.931 12.389 491 HH22 ARG 67 HH22 ARG 67 10.538 -2.530 10.926 492 H GLY 68 H GLY 68 3.630 3.569 8.714 493 HA2 GLY 68 HA2 GLY 68 1.512 4.353 8.182 494 HA3 GLY 68 HA3 GLY 68 0.822 3.003 9.071 Start of MODEL 14 1 H MET 1 H MET 1 2.624 -0.327 -12.857 2 HA MET 1 HA MET 1 3.652 -0.296 -10.451 3 HB2 MET 1 HB2 MET 1 2.111 1.559 -9.832 4 HB3 MET 1 HB3 MET 1 0.758 0.447 -9.991 5 HG2 MET 1 HG2 MET 1 1.049 -0.279 -7.926 6 HG3 MET 1 HG3 MET 1 2.728 -0.692 -8.265 7 HE1 MET 1 HE1 MET 1 0.859 1.758 -5.575 8 HE2 MET 1 HE2 MET 1 1.265 0.054 -5.783 9 HE3 MET 1 HE3 MET 1 2.351 1.116 -4.886 10 H ASP 2 H ASP 2 3.956 -2.412 -10.298 11 HA ASP 2 HA ASP 2 1.621 -4.178 -10.258 12 HB2 ASP 2 HB2 ASP 2 4.109 -4.837 -11.842 13 HB3 ASP 2 HB3 ASP 2 2.618 -5.770 -11.761 14 H ILE 3 H ILE 3 5.165 -4.569 -10.204 15 HA ILE 3 HA ILE 3 4.864 -6.012 -7.654 16 HB ILE 3 HB ILE 3 7.304 -6.249 -9.373 17 HG12 ILE 3 HG12 ILE 3 4.757 -7.848 -9.707 18 HG13 ILE 3 HG13 ILE 3 5.393 -6.682 -10.862 19 HG21 ILE 3 HG21 ILE 3 7.237 -8.564 -8.351 20 HG22 ILE 3 HG22 ILE 3 7.537 -7.228 -7.240 21 HG23 ILE 3 HG23 ILE 3 5.937 -7.966 -7.320 22 HD11 ILE 3 HD11 ILE 3 7.490 -8.188 -10.859 23 HD12 ILE 3 HD12 ILE 3 6.410 -9.399 -10.166 24 HD13 ILE 3 HD13 ILE 3 6.057 -8.703 -11.748 25 H ASP 4 H ASP 4 6.729 -5.847 -6.163 26 HA ASP 4 HA ASP 4 7.491 -3.072 -5.862 27 HB2 ASP 4 HB2 ASP 4 6.723 -4.625 -3.976 28 HB3 ASP 4 HB3 ASP 4 8.326 -5.350 -4.074 29 H PHE 5 H PHE 5 8.765 -5.682 -7.464 30 HA PHE 5 HA PHE 5 11.548 -5.246 -6.888 31 HB2 PHE 5 HB2 PHE 5 10.680 -7.460 -7.575 32 HB3 PHE 5 HB3 PHE 5 10.268 -6.793 -9.151 33 HD1 PHE 5 HD1 PHE 5 13.062 -7.631 -6.896 34 HD2 PHE 5 HD2 PHE 5 11.898 -6.543 -10.843 35 HE1 PHE 5 HE1 PHE 5 15.322 -8.169 -7.707 36 HE2 PHE 5 HE2 PHE 5 14.155 -7.080 -11.661 37 HZ PHE 5 HZ PHE 5 15.870 -7.895 -10.093 38 H SER 6 H SER 6 9.366 -4.505 -9.585 39 HA SER 6 HA SER 6 11.450 -2.992 -10.935 40 HB2 SER 6 HB2 SER 6 9.897 -2.792 -12.765 41 HB3 SER 6 HB3 SER 6 9.838 -4.457 -12.189 42 HG SER 6 HG SER 6 7.810 -4.175 -11.768 43 H THR 7 H THR 7 11.832 -0.967 -10.360 44 HA THR 7 HA THR 7 9.597 0.860 -9.954 45 HB THR 7 HB THR 7 11.165 1.774 -7.960 46 HG1 THR 7 HG1 THR 7 12.380 0.246 -7.149 47 HG21 THR 7 HG21 THR 7 9.172 1.552 -6.991 48 HG22 THR 7 HG22 THR 7 9.521 -0.156 -6.725 49 HG23 THR 7 HG23 THR 7 8.688 0.356 -8.193 50 H CYS 8 H CYS 8 12.039 0.280 -11.766 51 HA CYS 8 HA CYS 8 12.866 3.089 -11.954 52 HB2 CYS 8 HB2 CYS 8 14.599 1.516 -10.824 53 HB3 CYS 8 HB3 CYS 8 14.853 0.891 -12.450 54 H ALA 9 H ALA 9 13.619 3.717 -14.069 55 HA ALA 9 HA ALA 9 12.067 2.564 -16.160 56 HB1 ALA 9 HB1 ALA 9 14.304 4.479 -16.673 57 HB2 ALA 9 HB2 ALA 9 12.732 4.353 -17.464 58 HB3 ALA 9 HB3 ALA 9 12.849 5.017 -15.835 59 H ARG 10 H ARG 10 15.032 1.721 -14.840 60 HA ARG 10 HA ARG 10 16.142 0.675 -17.325 61 HB2 ARG 10 HB2 ARG 10 17.260 0.431 -14.529 62 HB3 ARG 10 HB3 ARG 10 18.111 0.150 -16.042 63 HG2 ARG 10 HG2 ARG 10 17.029 2.805 -15.119 64 HG3 ARG 10 HG3 ARG 10 18.714 2.289 -15.017 65 HD2 ARG 10 HD2 ARG 10 18.213 1.837 -17.634 66 HD3 ARG 10 HD3 ARG 10 17.146 3.208 -17.334 67 HE ARG 10 HE ARG 10 18.987 4.554 -17.156 68 HH11 ARG 10 HH11 ARG 10 19.979 1.228 -16.891 69 HH12 ARG 10 HH12 ARG 10 21.673 1.594 -16.933 70 HH21 ARG 10 HH21 ARG 10 21.213 5.049 -17.213 71 HH22 ARG 10 HH22 ARG 10 22.373 3.767 -17.115 72 H MET 11 H MET 11 13.646 -0.376 -16.069 73 HA MET 11 HA MET 11 14.475 -3.100 -15.376 74 HB2 MET 11 HB2 MET 11 12.288 -1.382 -14.594 75 HB3 MET 11 HB3 MET 11 11.679 -2.909 -15.218 76 HG2 MET 11 HG2 MET 11 13.908 -3.030 -13.276 77 HG3 MET 11 HG3 MET 11 12.325 -2.551 -12.670 78 HE1 MET 11 HE1 MET 11 14.696 -5.068 -13.628 79 HE2 MET 11 HE2 MET 11 13.871 -6.626 -13.597 80 HE3 MET 11 HE3 MET 11 13.842 -5.641 -15.060 81 H ASP 12 H ASP 12 12.450 -4.647 -16.146 82 HA ASP 12 HA ASP 12 12.883 -4.971 -18.927 83 HB2 ASP 12 HB2 ASP 12 11.951 -6.571 -16.871 84 HB3 ASP 12 HB3 ASP 12 10.526 -6.348 -17.883 85 H VAL 13 H VAL 13 10.689 -3.071 -17.152 86 HA VAL 13 HA VAL 13 8.955 -2.749 -19.513 87 HB VAL 13 HB VAL 13 7.374 -1.642 -17.827 88 HG11 VAL 13 HG11 VAL 13 7.925 -4.596 -17.555 89 HG12 VAL 13 HG12 VAL 13 6.405 -3.777 -17.188 90 HG13 VAL 13 HG13 VAL 13 6.994 -3.843 -18.850 91 HG21 VAL 13 HG21 VAL 13 7.625 -2.408 -15.501 92 HG22 VAL 13 HG22 VAL 13 9.191 -3.108 -15.914 93 HG23 VAL 13 HG23 VAL 13 8.953 -1.363 -16.005 94 HA PRO 14 HA PRO 14 11.432 1.151 -19.197 95 HB2 PRO 14 HB2 PRO 14 11.790 1.403 -21.876 96 HB3 PRO 14 HB3 PRO 14 12.857 0.437 -20.851 97 HG2 PRO 14 HG2 PRO 14 10.595 -0.452 -22.599 98 HG3 PRO 14 HG3 PRO 14 12.198 -1.180 -22.387 99 HD2 PRO 14 HD2 PRO 14 9.987 -2.145 -21.159 100 HD3 PRO 14 HD3 PRO 14 11.601 -2.231 -20.425 101 H ILE 15 H ILE 15 8.470 0.167 -20.512 102 HA ILE 15 HA ILE 15 7.565 2.311 -21.987 103 HB ILE 15 HB ILE 15 5.967 0.705 -19.989 104 HG12 ILE 15 HG12 ILE 15 6.349 0.291 -22.962 105 HG13 ILE 15 HG13 ILE 15 7.145 -0.651 -21.706 106 HG21 ILE 15 HG21 ILE 15 4.304 2.098 -20.480 107 HG22 ILE 15 HG22 ILE 15 5.261 2.902 -21.723 108 HG23 ILE 15 HG23 ILE 15 4.342 1.451 -22.119 109 HD11 ILE 15 HD11 ILE 15 4.437 -0.788 -21.095 110 HD12 ILE 15 HD12 ILE 15 4.526 -0.957 -22.848 111 HD13 ILE 15 HD13 ILE 15 5.438 -2.051 -21.810 112 H LEU 16 H LEU 16 7.598 4.402 -21.519 113 HA LEU 16 HA LEU 16 7.400 6.379 -20.416 114 HB2 LEU 16 HB2 LEU 16 5.420 4.615 -19.140 115 HB3 LEU 16 HB3 LEU 16 5.889 6.028 -18.196 116 HG LEU 16 HG LEU 16 5.328 7.354 -20.349 117 HD11 LEU 16 HD11 LEU 16 3.556 6.303 -21.696 118 HD12 LEU 16 HD12 LEU 16 3.834 4.784 -20.846 119 HD13 LEU 16 HD13 LEU 16 5.106 5.475 -21.852 120 HD21 LEU 16 HD21 LEU 16 2.844 6.246 -19.198 121 HD22 LEU 16 HD22 LEU 16 3.372 7.920 -19.366 122 HD23 LEU 16 HD23 LEU 16 4.006 6.922 -18.056 123 H LYS 17 H LYS 17 9.679 6.164 -19.905 124 HA LYS 17 HA LYS 17 10.711 5.024 -17.584 125 HB2 LYS 17 HB2 LYS 17 11.746 7.539 -18.898 126 HB3 LYS 17 HB3 LYS 17 12.662 6.385 -17.937 127 HG2 LYS 17 HG2 LYS 17 11.604 4.838 -19.961 128 HG3 LYS 17 HG3 LYS 17 12.014 6.356 -20.763 129 HD2 LYS 17 HD2 LYS 17 14.278 6.195 -20.145 130 HD3 LYS 17 HD3 LYS 17 13.944 4.952 -18.937 131 HE2 LYS 17 HE2 LYS 17 14.540 3.469 -20.492 132 HE3 LYS 17 HE3 LYS 17 13.010 3.841 -21.285 133 HZ1 LYS 17 HZ1 LYS 17 15.565 5.259 -21.814 134 HZ2 LYS 17 HZ2 LYS 17 14.103 5.475 -22.635 135 HZ3 LYS 17 HZ3 LYS 17 14.943 4.014 -22.775 136 H LYS 18 H LYS 18 9.300 8.210 -18.127 137 HA LYS 18 HA LYS 18 9.974 9.441 -15.728 138 HB2 LYS 18 HB2 LYS 18 8.477 10.126 -17.917 139 HB3 LYS 18 HB3 LYS 18 7.245 10.001 -16.669 140 HG2 LYS 18 HG2 LYS 18 8.011 11.805 -15.533 141 HG3 LYS 18 HG3 LYS 18 9.692 11.522 -15.994 142 HD2 LYS 18 HD2 LYS 18 8.958 12.190 -18.356 143 HD3 LYS 18 HD3 LYS 18 7.499 12.818 -17.587 144 HE2 LYS 18 HE2 LYS 18 8.572 14.667 -16.988 145 HE3 LYS 18 HE3 LYS 18 9.787 13.718 -16.133 146 HZ1 LYS 18 HZ1 LYS 18 10.900 13.408 -18.325 147 HZ2 LYS 18 HZ2 LYS 18 10.899 15.003 -17.763 148 HZ3 LYS 18 HZ3 LYS 18 9.824 14.536 -18.983 149 H ALA 19 H ALA 19 7.389 7.169 -16.460 150 HA ALA 19 HA ALA 19 5.976 7.429 -14.029 151 HB1 ALA 19 HB1 ALA 19 5.123 6.362 -16.132 152 HB2 ALA 19 HB2 ALA 19 6.114 4.956 -15.741 153 HB3 ALA 19 HB3 ALA 19 4.815 5.449 -14.654 154 H ALA 20 H ALA 20 8.538 5.203 -15.065 155 HA ALA 20 HA ALA 20 8.614 3.604 -12.772 156 HB1 ALA 20 HB1 ALA 20 11.163 4.193 -14.174 157 HB2 ALA 20 HB2 ALA 20 10.475 2.648 -13.671 158 HB3 ALA 20 HB3 ALA 20 9.858 3.462 -15.109 159 H GLN 21 H GLN 21 10.425 6.557 -13.564 160 HA GLN 21 HA GLN 21 11.931 6.624 -11.176 161 HB2 GLN 21 HB2 GLN 21 11.477 8.366 -13.474 162 HB3 GLN 21 HB3 GLN 21 11.706 9.262 -11.978 163 HG2 GLN 21 HG2 GLN 21 13.850 8.393 -11.649 164 HG3 GLN 21 HG3 GLN 21 13.596 7.094 -12.813 165 HE21 GLN 21 HE21 GLN 21 15.836 8.522 -13.049 166 HE22 GLN 21 HE22 GLN 21 15.760 9.582 -14.411 167 H GLY 22 H GLY 22 8.718 7.699 -11.996 168 HA2 GLY 22 HA2 GLY 22 8.227 9.558 -9.990 169 HA3 GLY 22 HA3 GLY 22 7.009 8.502 -10.691 170 H LEU 23 H LEU 23 8.444 6.080 -9.776 171 HA LEU 23 HA LEU 23 7.180 5.854 -7.228 172 HB2 LEU 23 HB2 LEU 23 9.144 3.945 -8.477 173 HB3 LEU 23 HB3 LEU 23 7.954 3.588 -7.227 174 HG LEU 23 HG LEU 23 7.480 4.110 -10.152 175 HD11 LEU 23 HD11 LEU 23 6.136 1.905 -9.648 176 HD12 LEU 23 HD12 LEU 23 7.278 1.784 -8.310 177 HD13 LEU 23 HD13 LEU 23 7.870 1.867 -9.969 178 HD21 LEU 23 HD21 LEU 23 5.646 5.224 -9.435 179 HD22 LEU 23 HD22 LEU 23 5.672 4.468 -7.842 180 HD23 LEU 23 HD23 LEU 23 5.022 3.588 -9.226 181 H CYS 24 H CYS 24 9.900 7.421 -8.001 182 HA CYS 24 HA CYS 24 11.212 6.751 -5.448 183 HB2 CYS 24 HB2 CYS 24 12.292 6.714 -8.071 184 HB3 CYS 24 HB3 CYS 24 13.018 8.081 -7.231 185 H ILE 25 H ILE 25 10.817 9.362 -7.840 186 HA ILE 25 HA ILE 25 11.612 11.438 -6.093 187 HB ILE 25 HB ILE 25 9.882 11.581 -8.565 188 HG12 ILE 25 HG12 ILE 25 12.269 12.613 -9.287 189 HG13 ILE 25 HG13 ILE 25 12.804 11.446 -8.084 190 HG21 ILE 25 HG21 ILE 25 9.503 13.573 -7.361 191 HG22 ILE 25 HG22 ILE 25 11.201 13.715 -6.911 192 HG23 ILE 25 HG23 ILE 25 10.707 13.977 -8.584 193 HD11 ILE 25 HD11 ILE 25 10.866 10.353 -9.959 194 HD12 ILE 25 HD12 ILE 25 12.348 10.927 -10.727 195 HD13 ILE 25 HD13 ILE 25 12.429 9.723 -9.440 196 H THR 26 H THR 26 8.409 10.254 -7.077 197 HA THR 26 HA THR 26 7.004 12.095 -5.391 198 HB THR 26 HB THR 26 6.304 10.156 -7.400 199 HG1 THR 26 HG1 THR 26 5.760 12.521 -7.049 200 HG21 THR 26 HG21 THR 26 4.156 9.416 -6.413 201 HG22 THR 26 HG22 THR 26 4.671 10.077 -4.860 202 HG23 THR 26 HG23 THR 26 5.556 8.736 -5.586 203 H SER 27 H SER 27 8.024 8.732 -5.149 204 HA SER 27 HA SER 27 6.577 8.012 -2.864 205 HB2 SER 27 HB2 SER 27 8.068 6.583 -4.480 206 HB3 SER 27 HB3 SER 27 9.348 6.961 -3.327 207 HG SER 27 HG SER 27 6.861 5.920 -2.490 208 H CYS 28 H CYS 28 9.542 9.820 -3.248 209 HA CYS 28 HA CYS 28 10.333 9.706 -0.508 210 HB2 CYS 28 HB2 CYS 28 11.435 10.665 -2.921 211 HB3 CYS 28 HB3 CYS 28 11.326 12.055 -1.846 212 H SER 29 H SER 29 8.609 12.087 -2.488 213 HA SER 29 HA SER 29 8.376 14.123 -0.610 214 HB2 SER 29 HB2 SER 29 7.620 13.930 -3.148 215 HB3 SER 29 HB3 SER 29 6.060 13.567 -2.411 216 HG SER 29 HG SER 29 7.514 15.934 -2.435 217 H MET 30 H MET 30 6.596 11.134 -0.935 218 HA MET 30 HA MET 30 4.489 11.833 0.857 219 HB2 MET 30 HB2 MET 30 5.364 9.014 0.287 220 HB3 MET 30 HB3 MET 30 3.746 9.615 0.628 221 HG2 MET 30 HG2 MET 30 4.420 10.968 -1.657 222 HG3 MET 30 HG3 MET 30 5.172 9.393 -1.899 223 HE1 MET 30 HE1 MET 30 0.685 10.275 -1.471 224 HE2 MET 30 HE2 MET 30 1.707 10.369 -0.036 225 HE3 MET 30 HE3 MET 30 2.007 11.441 -1.405 226 H GLN 31 H GLN 31 7.740 10.934 1.284 227 HA GLN 31 HA GLN 31 7.248 10.134 4.071 228 HB2 GLN 31 HB2 GLN 31 9.955 9.866 2.881 229 HB3 GLN 31 HB3 GLN 31 9.110 8.809 4.005 230 HG2 GLN 31 HG2 GLN 31 7.603 8.529 1.760 231 HG3 GLN 31 HG3 GLN 31 9.214 8.760 1.083 232 HE21 GLN 31 HE21 GLN 31 7.427 6.880 3.482 233 HE22 GLN 31 HE22 GLN 31 8.381 5.448 3.330 234 H ASN 32 H ASN 32 7.424 12.896 2.775 235 HA ASN 32 HA ASN 32 8.121 14.965 3.417 236 HB2 ASN 32 HB2 ASN 32 9.513 13.797 5.806 237 HB3 ASN 32 HB3 ASN 32 8.672 15.337 5.655 238 HD21 ASN 32 HD21 ASN 32 6.402 15.365 5.704 239 HD22 ASN 32 HD22 ASN 32 5.503 14.060 6.393 240 H CYS 33 H CYS 33 9.697 13.518 1.613 241 HA CYS 33 HA CYS 33 12.445 14.239 2.372 242 HB2 CYS 33 HB2 CYS 33 11.398 12.338 0.268 243 HB3 CYS 33 HB3 CYS 33 13.096 12.778 0.429 244 H GLY 34 H GLY 34 13.674 14.529 0.001 245 HA2 GLY 34 HA2 GLY 34 12.333 16.904 -1.120 246 HA3 GLY 34 HA3 GLY 34 14.072 16.659 -1.074 247 H THR 35 H THR 35 14.607 14.370 -2.188 248 HA THR 35 HA THR 35 13.048 14.046 -4.633 249 HB THR 35 HB THR 35 14.819 15.786 -5.081 250 HG1 THR 35 HG1 THR 35 13.918 14.386 -6.729 251 HG21 THR 35 HG21 THR 35 17.076 15.300 -5.027 252 HG22 THR 35 HG22 THR 35 16.812 13.559 -5.131 253 HG23 THR 35 HG23 THR 35 16.500 14.409 -3.618 254 H GLY 36 H GLY 36 14.370 12.311 -6.056 255 HA2 GLY 36 HA2 GLY 36 15.834 10.348 -4.595 256 HA3 GLY 36 HA3 GLY 36 14.150 9.877 -4.772 257 H SER 37 H SER 37 17.002 9.209 -5.992 258 HA SER 37 HA SER 37 16.007 8.968 -8.756 259 HB2 SER 37 HB2 SER 37 18.267 10.323 -7.950 260 HB3 SER 37 HB3 SER 37 18.911 8.751 -8.424 261 HG SER 37 HG SER 37 18.292 10.708 -10.014 262 H CYS 38 H CYS 38 16.299 7.025 -9.823 263 HA CYS 38 HA CYS 38 17.103 4.768 -8.109 264 HB2 CYS 38 HB2 CYS 38 15.556 3.381 -9.329 265 HB3 CYS 38 HB3 CYS 38 14.701 4.824 -8.796 266 H LYS 39 H LYS 39 18.550 3.287 -8.852 267 HA LYS 39 HA LYS 39 19.497 3.502 -11.614 268 HB2 LYS 39 HB2 LYS 39 21.390 3.456 -9.260 269 HB3 LYS 39 HB3 LYS 39 21.815 3.601 -10.960 270 HG2 LYS 39 HG2 LYS 39 20.114 5.648 -9.579 271 HG3 LYS 39 HG3 LYS 39 21.878 5.713 -9.541 272 HD2 LYS 39 HD2 LYS 39 21.745 5.535 -12.097 273 HD3 LYS 39 HD3 LYS 39 20.038 5.940 -11.904 274 HE2 LYS 39 HE2 LYS 39 20.476 8.086 -11.341 275 HE3 LYS 39 HE3 LYS 39 21.946 7.666 -10.463 276 HZ1 LYS 39 HZ1 LYS 39 22.857 7.193 -12.821 277 HZ2 LYS 39 HZ2 LYS 39 22.762 8.791 -12.275 278 HZ3 LYS 39 HZ3 LYS 39 21.590 8.189 -13.335 279 H LYS 40 H LYS 40 20.771 1.651 -12.304 280 HA LYS 40 HA LYS 40 19.715 -0.799 -11.222 281 HB2 LYS 40 HB2 LYS 40 21.162 0.037 -13.645 282 HB3 LYS 40 HB3 LYS 40 21.563 -1.579 -13.078 283 HG2 LYS 40 HG2 LYS 40 18.768 -0.602 -13.624 284 HG3 LYS 40 HG3 LYS 40 19.749 -1.542 -14.751 285 HD2 LYS 40 HD2 LYS 40 19.934 -3.282 -12.913 286 HD3 LYS 40 HD3 LYS 40 18.666 -2.386 -12.073 287 HE2 LYS 40 HE2 LYS 40 17.753 -4.252 -13.371 288 HE3 LYS 40 HE3 LYS 40 17.169 -2.698 -13.963 289 HZ1 LYS 40 HZ1 LYS 40 18.378 -4.677 -15.440 290 HZ2 LYS 40 HZ2 LYS 40 19.553 -3.469 -15.300 291 HZ3 LYS 40 HZ3 LYS 40 18.035 -3.100 -15.949 292 H ARG 41 H ARG 41 20.573 -1.690 -9.467 293 HA ARG 41 HA ARG 41 23.452 -1.407 -8.980 294 HB2 ARG 41 HB2 ARG 41 21.220 -2.262 -7.128 295 HB3 ARG 41 HB3 ARG 41 22.915 -2.141 -6.674 296 HG2 ARG 41 HG2 ARG 41 21.222 0.154 -7.640 297 HG3 ARG 41 HG3 ARG 41 21.581 -0.205 -5.950 298 HD2 ARG 41 HD2 ARG 41 23.645 0.376 -8.070 299 HD3 ARG 41 HD3 ARG 41 23.037 1.553 -6.907 300 HE ARG 41 HE ARG 41 25.018 -0.428 -6.443 301 HH11 ARG 41 HH11 ARG 41 22.385 1.269 -4.925 302 HH12 ARG 41 HH12 ARG 41 23.027 1.102 -3.325 303 HH21 ARG 41 HH21 ARG 41 25.874 -0.655 -4.340 304 HH22 ARG 41 HH22 ARG 41 25.012 0.008 -2.993 305 H SER 42 H SER 42 24.603 -3.015 -9.830 306 HA SER 42 HA SER 42 25.328 -5.099 -10.386 307 HB2 SER 42 HB2 SER 42 24.727 -5.218 -7.756 308 HB3 SER 42 HB3 SER 42 23.633 -6.458 -8.368 309 HG SER 42 HG SER 42 25.503 -7.516 -8.002 310 H GLY 43 H GLY 43 22.937 -4.062 -11.667 311 HA2 GLY 43 HA2 GLY 43 21.651 -4.928 -13.405 312 HA3 GLY 43 HA3 GLY 43 22.025 -6.550 -12.840 313 H ARG 44 H ARG 44 20.965 -4.551 -10.337 314 HA ARG 44 HA ARG 44 18.246 -5.666 -10.557 315 HB2 ARG 44 HB2 ARG 44 19.831 -5.042 -8.058 316 HB3 ARG 44 HB3 ARG 44 18.178 -5.642 -8.092 317 HG2 ARG 44 HG2 ARG 44 20.563 -7.111 -9.196 318 HG3 ARG 44 HG3 ARG 44 19.840 -7.394 -7.611 319 HD2 ARG 44 HD2 ARG 44 17.678 -7.874 -8.791 320 HD3 ARG 44 HD3 ARG 44 18.571 -7.809 -10.311 321 HE ARG 44 HE ARG 44 18.519 -9.965 -8.446 322 HH11 ARG 44 HH11 ARG 44 20.515 -8.333 -10.785 323 HH12 ARG 44 HH12 ARG 44 21.484 -9.728 -11.126 324 HH21 ARG 44 HH21 ARG 44 19.788 -11.809 -8.886 325 HH22 ARG 44 HH22 ARG 44 21.069 -11.705 -10.045 326 HA PRO 45 HA PRO 45 16.852 -1.473 -10.694 327 HB2 PRO 45 HB2 PRO 45 14.222 -1.957 -10.227 328 HB3 PRO 45 HB3 PRO 45 15.001 -2.295 -11.778 329 HG2 PRO 45 HG2 PRO 45 14.357 -4.169 -9.533 330 HG3 PRO 45 HG3 PRO 45 14.157 -4.404 -11.279 331 HD2 PRO 45 HD2 PRO 45 16.240 -5.446 -9.898 332 HD3 PRO 45 HD3 PRO 45 16.380 -4.929 -11.590 333 H THR 46 H THR 46 17.886 -0.686 -8.811 334 HA THR 46 HA THR 46 16.365 -0.932 -6.307 335 HB THR 46 HB THR 46 19.210 -0.008 -6.754 336 HG1 THR 46 HG1 THR 46 18.305 -2.313 -5.359 337 HG21 THR 46 HG21 THR 46 19.066 -0.455 -4.115 338 HG22 THR 46 HG22 THR 46 17.410 0.081 -4.403 339 HG23 THR 46 HG23 THR 46 18.763 1.126 -4.835 340 H CYS 47 H CYS 47 15.374 0.780 -5.420 341 HA CYS 47 HA CYS 47 15.560 3.337 -6.842 342 HB2 CYS 47 HB2 CYS 47 13.360 1.925 -6.105 343 HB3 CYS 47 HB3 CYS 47 13.526 3.006 -4.725 344 H VAL 48 H VAL 48 16.746 4.906 -6.000 345 HA VAL 48 HA VAL 48 17.272 4.881 -3.101 346 HB VAL 48 HB VAL 48 18.940 6.409 -5.071 347 HG11 VAL 48 HG11 VAL 48 19.697 7.031 -3.029 348 HG12 VAL 48 HG12 VAL 48 19.123 5.557 -2.246 349 HG13 VAL 48 HG13 VAL 48 20.621 5.537 -3.178 350 HG21 VAL 48 HG21 VAL 48 18.811 3.486 -4.708 351 HG22 VAL 48 HG22 VAL 48 19.365 4.436 -6.087 352 HG23 VAL 48 HG23 VAL 48 20.426 4.195 -4.699 353 H CYS 49 H CYS 49 17.141 6.796 -1.924 354 HA CYS 49 HA CYS 49 15.687 8.978 -3.270 355 HB2 CYS 49 HB2 CYS 49 15.099 7.488 -0.871 356 HB3 CYS 49 HB3 CYS 49 15.284 9.197 -0.493 357 H TYR 50 H TYR 50 15.951 11.127 -2.149 358 HA TYR 50 HA TYR 50 18.430 11.522 -0.712 359 HB2 TYR 50 HB2 TYR 50 18.039 12.666 -3.484 360 HB3 TYR 50 HB3 TYR 50 19.313 13.154 -2.372 361 HD1 TYR 50 HD1 TYR 50 21.164 11.637 -1.859 362 HD2 TYR 50 HD2 TYR 50 18.144 10.559 -4.655 363 HE1 TYR 50 HE1 TYR 50 22.601 9.828 -2.704 364 HE2 TYR 50 HE2 TYR 50 19.572 8.746 -5.506 365 HH TYR 50 HH TYR 50 22.474 8.481 -5.387 366 H ARG 51 H ARG 51 18.781 13.985 -0.398 367 HA ARG 51 HA ARG 51 18.001 15.844 0.666 368 HB2 ARG 51 HB2 ARG 51 15.872 15.670 -1.475 369 HB3 ARG 51 HB3 ARG 51 16.277 17.101 -0.537 370 HG2 ARG 51 HG2 ARG 51 18.696 16.445 -1.591 371 HG3 ARG 51 HG3 ARG 51 17.596 15.946 -2.877 372 HD2 ARG 51 HD2 ARG 51 17.048 18.062 -3.392 373 HD3 ARG 51 HD3 ARG 51 16.969 18.553 -1.700 374 HE ARG 51 HE ARG 51 19.628 18.276 -2.162 375 HH11 ARG 51 HH11 ARG 51 17.073 20.041 -3.737 376 HH12 ARG 51 HH12 ARG 51 18.113 21.314 -4.284 377 HH21 ARG 51 HH21 ARG 51 21.007 19.947 -2.876 378 HH22 ARG 51 HH22 ARG 51 20.350 21.260 -3.795 379 H CYS 52 H CYS 52 17.002 13.239 1.588 380 HA CYS 52 HA CYS 52 14.256 13.523 2.311 381 HB2 CYS 52 HB2 CYS 52 15.936 11.414 2.224 382 HB3 CYS 52 HB3 CYS 52 16.001 11.772 3.946 383 H ALA 53 H ALA 53 13.711 13.267 4.765 384 HA ALA 53 HA ALA 53 15.083 15.464 6.161 385 HB1 ALA 53 HB1 ALA 53 12.259 14.583 6.029 386 HB2 ALA 53 HB2 ALA 53 12.829 15.239 7.564 387 HB3 ALA 53 HB3 ALA 53 12.940 16.209 6.095 388 H ASN 54 H ASN 54 14.093 12.129 6.395 389 HA ASN 54 HA ASN 54 14.917 11.949 9.184 390 HB2 ASN 54 HB2 ASN 54 12.876 10.752 8.155 391 HB3 ASN 54 HB3 ASN 54 14.049 9.636 7.461 392 HD21 ASN 54 HD21 ASN 54 14.850 8.049 8.689 393 HD22 ASN 54 HD22 ASN 54 14.517 7.840 10.371 394 H GLY 55 H GLY 55 16.744 12.410 6.774 395 HA2 GLY 55 HA2 GLY 55 18.982 11.025 7.739 396 HA3 GLY 55 HA3 GLY 55 18.338 10.125 6.374 397 H GLY 56 H GLY 56 17.397 12.572 5.027 398 HA2 GLY 56 HA2 GLY 56 18.174 14.049 3.451 399 HA3 GLY 56 HA3 GLY 56 19.464 14.406 4.589 400 H GLY 57 H GLY 57 18.533 11.715 2.431 401 HA2 GLY 57 HA2 GLY 57 20.545 11.850 0.601 402 HA3 GLY 57 HA3 GLY 57 21.292 11.033 1.966 403 H ASP 58 H ASP 58 21.554 9.043 1.048 404 HA ASP 58 HA ASP 58 19.594 7.715 -0.493 405 HB2 ASP 58 HB2 ASP 58 21.001 5.659 0.044 406 HB3 ASP 58 HB3 ASP 58 21.832 6.988 -0.760 407 H ILE 59 H ILE 59 17.643 7.250 0.299 408 HA ILE 59 HA ILE 59 17.497 5.659 2.752 409 HB ILE 59 HB ILE 59 15.520 7.874 2.267 410 HG12 ILE 59 HG12 ILE 59 17.901 8.723 2.560 411 HG13 ILE 59 HG13 ILE 59 16.718 9.320 3.719 412 HG21 ILE 59 HG21 ILE 59 14.567 6.398 3.754 413 HG22 ILE 59 HG22 ILE 59 16.115 5.954 4.471 414 HG23 ILE 59 HG23 ILE 59 15.383 7.513 4.849 415 HD11 ILE 59 HD11 ILE 59 18.074 6.893 4.590 416 HD12 ILE 59 HD12 ILE 59 19.155 8.263 4.333 417 HD13 ILE 59 HD13 ILE 59 17.793 8.411 5.443 418 HA PRO 60 HA PRO 60 15.033 3.435 -0.292 419 HB2 PRO 60 HB2 PRO 60 14.938 1.132 1.142 420 HB3 PRO 60 HB3 PRO 60 16.337 1.600 0.168 421 HG2 PRO 60 HG2 PRO 60 15.907 1.871 3.118 422 HG3 PRO 60 HG3 PRO 60 17.356 1.342 2.242 423 HD2 PRO 60 HD2 PRO 60 17.086 3.848 3.231 424 HD3 PRO 60 HD3 PRO 60 17.999 3.500 1.750 425 H LEU 61 H LEU 61 12.882 2.779 -0.385 426 HA LEU 61 HA LEU 61 11.028 4.055 1.196 427 HB2 LEU 61 HB2 LEU 61 10.959 1.791 -0.698 428 HB3 LEU 61 HB3 LEU 61 9.579 1.937 0.389 429 HG LEU 61 HG LEU 61 9.320 2.998 -1.882 430 HD11 LEU 61 HD11 LEU 61 8.958 5.285 -0.147 431 HD12 LEU 61 HD12 LEU 61 8.424 3.789 0.619 432 HD13 LEU 61 HD13 LEU 61 7.756 4.267 -0.942 433 HD21 LEU 61 HD21 LEU 61 10.351 5.195 -2.206 434 HD22 LEU 61 HD22 LEU 61 11.563 3.918 -2.099 435 HD23 LEU 61 HD23 LEU 61 11.275 4.980 -0.719 436 H GLY 62 H GLY 62 12.761 1.140 1.848 437 HA2 GLY 62 HA2 GLY 62 10.946 0.180 3.872 438 HA3 GLY 62 HA3 GLY 62 12.544 -0.456 3.515 439 H ALA 63 H ALA 63 13.926 2.053 3.807 440 HA ALA 63 HA ALA 63 14.290 2.003 6.648 441 HB1 ALA 63 HB1 ALA 63 16.067 3.604 6.263 442 HB2 ALA 63 HB2 ALA 63 16.168 2.293 5.086 443 HB3 ALA 63 HB3 ALA 63 15.511 3.858 4.608 444 H LEU 64 H LEU 64 12.486 3.939 4.426 445 HA LEU 64 HA LEU 64 12.145 6.129 6.300 446 HB2 LEU 64 HB2 LEU 64 11.630 5.648 3.471 447 HB3 LEU 64 HB3 LEU 64 10.322 6.514 4.275 448 HG LEU 64 HG LEU 64 13.151 7.457 4.547 449 HD11 LEU 64 HD11 LEU 64 12.148 7.091 2.076 450 HD12 LEU 64 HD12 LEU 64 13.245 8.402 2.506 451 HD13 LEU 64 HD13 LEU 64 11.507 8.693 2.440 452 HD21 LEU 64 HD21 LEU 64 10.531 8.353 5.323 453 HD22 LEU 64 HD22 LEU 64 11.317 9.555 4.299 454 HD23 LEU 64 HD23 LEU 64 12.113 8.993 5.770 455 H ILE 65 H ILE 65 11.004 3.156 6.339 456 HA ILE 65 HA ILE 65 8.187 3.482 6.494 457 HB ILE 65 HB ILE 65 9.981 1.330 7.617 458 HG12 ILE 65 HG12 ILE 65 8.206 1.416 5.167 459 HG13 ILE 65 HG13 ILE 65 9.965 1.477 5.169 460 HG21 ILE 65 HG21 ILE 65 7.907 -0.005 7.832 461 HG22 ILE 65 HG22 ILE 65 7.953 1.386 8.914 462 HG23 ILE 65 HG23 ILE 65 6.974 1.441 7.448 463 HD11 ILE 65 HD11 ILE 65 8.230 -0.830 6.006 464 HD12 ILE 65 HD12 ILE 65 9.268 -0.728 4.583 465 HD13 ILE 65 HD13 ILE 65 9.982 -0.779 6.194 466 H LYS 66 H LYS 66 6.866 3.909 8.191 467 HA LYS 66 HA LYS 66 8.139 4.433 10.796 468 HB2 LYS 66 HB2 LYS 66 5.853 6.000 9.588 469 HB3 LYS 66 HB3 LYS 66 6.649 6.323 11.123 470 HG2 LYS 66 HG2 LYS 66 8.563 7.141 10.107 471 HG3 LYS 66 HG3 LYS 66 8.215 6.335 8.576 472 HD2 LYS 66 HD2 LYS 66 6.470 8.524 9.677 473 HD3 LYS 66 HD3 LYS 66 7.871 8.856 8.656 474 HE2 LYS 66 HE2 LYS 66 6.716 8.361 6.823 475 HE3 LYS 66 HE3 LYS 66 6.266 6.788 7.480 476 HZ1 LYS 66 HZ1 LYS 66 4.651 9.054 7.122 477 HZ2 LYS 66 HZ2 LYS 66 4.736 8.726 8.779 478 HZ3 LYS 66 HZ3 LYS 66 4.208 7.529 7.707 479 H ARG 67 H ARG 67 6.093 2.460 9.215 480 HA ARG 67 HA ARG 67 4.070 2.280 11.307 481 HB2 ARG 67 HB2 ARG 67 4.408 0.983 8.614 482 HB3 ARG 67 HB3 ARG 67 3.226 0.388 9.772 483 HG2 ARG 67 HG2 ARG 67 2.009 1.823 8.410 484 HG3 ARG 67 HG3 ARG 67 2.361 2.796 9.839 485 HD2 ARG 67 HD2 ARG 67 3.989 4.049 8.731 486 HD3 ARG 67 HD3 ARG 67 4.164 2.854 7.447 487 HE ARG 67 HE ARG 67 1.547 3.875 7.409 488 HH11 ARG 67 HH11 ARG 67 4.821 4.846 6.736 489 HH12 ARG 67 HH12 ARG 67 4.367 6.013 5.538 490 HH21 ARG 67 HH21 ARG 67 0.936 5.408 5.834 491 HH22 ARG 67 HH22 ARG 67 2.157 6.333 5.027 492 H GLY 68 H GLY 68 7.106 1.339 11.203 493 HA2 GLY 68 HA2 GLY 68 8.260 -0.200 12.479 494 HA3 GLY 68 HA3 GLY 68 6.717 -0.809 13.058 Start of MODEL 15 1 H MET 1 H MET 1 1.998 0.981 -0.491 2 HA MET 1 HA MET 1 -0.211 0.090 -0.920 3 HB2 MET 1 HB2 MET 1 -0.168 2.375 -2.722 4 HB3 MET 1 HB3 MET 1 -0.794 0.929 -3.504 5 HG2 MET 1 HG2 MET 1 -2.165 0.805 -1.215 6 HG3 MET 1 HG3 MET 1 -1.927 2.548 -1.313 7 HE1 MET 1 HE1 MET 1 -2.881 4.047 -2.641 8 HE2 MET 1 HE2 MET 1 -4.135 3.839 -3.862 9 HE3 MET 1 HE3 MET 1 -4.516 3.596 -2.157 10 H ASP 2 H ASP 2 0.651 -1.898 -1.159 11 HA ASP 2 HA ASP 2 1.441 -3.772 -2.178 12 HB2 ASP 2 HB2 ASP 2 0.222 -2.215 -4.352 13 HB3 ASP 2 HB3 ASP 2 1.440 -3.368 -4.890 14 H ILE 3 H ILE 3 3.195 -4.576 -3.720 15 HA ILE 3 HA ILE 3 5.433 -2.657 -3.694 16 HB ILE 3 HB ILE 3 5.909 -5.606 -3.666 17 HG12 ILE 3 HG12 ILE 3 5.298 -3.932 -1.221 18 HG13 ILE 3 HG13 ILE 3 4.292 -5.229 -1.857 19 HG21 ILE 3 HG21 ILE 3 7.662 -4.212 -1.983 20 HG22 ILE 3 HG22 ILE 3 7.998 -4.861 -3.588 21 HG23 ILE 3 HG23 ILE 3 7.445 -3.196 -3.408 22 HD11 ILE 3 HD11 ILE 3 6.601 -5.351 -0.121 23 HD12 ILE 3 HD12 ILE 3 5.363 -6.564 -0.449 24 HD13 ILE 3 HD13 ILE 3 6.759 -6.417 -1.517 25 H ASP 4 H ASP 4 7.148 -3.131 -5.312 26 HA ASP 4 HA ASP 4 6.359 -4.631 -7.657 27 HB2 ASP 4 HB2 ASP 4 6.672 -1.624 -7.757 28 HB3 ASP 4 HB3 ASP 4 6.610 -2.667 -9.176 29 H PHE 5 H PHE 5 8.105 -5.552 -8.504 30 HA PHE 5 HA PHE 5 10.698 -5.024 -7.475 31 HB2 PHE 5 HB2 PHE 5 10.107 -7.263 -8.186 32 HB3 PHE 5 HB3 PHE 5 9.796 -6.700 -9.825 33 HD1 PHE 5 HD1 PHE 5 12.372 -7.510 -7.358 34 HD2 PHE 5 HD2 PHE 5 11.605 -6.228 -11.344 35 HE1 PHE 5 HE1 PHE 5 14.713 -7.977 -7.955 36 HE2 PHE 5 HE2 PHE 5 13.944 -6.694 -11.947 37 HZ PHE 5 HZ PHE 5 15.501 -7.571 -10.252 38 H SER 6 H SER 6 8.950 -3.971 -10.298 39 HA SER 6 HA SER 6 11.354 -2.735 -11.421 40 HB2 SER 6 HB2 SER 6 10.123 -2.442 -13.441 41 HB3 SER 6 HB3 SER 6 9.727 -4.059 -12.859 42 HG SER 6 HG SER 6 7.885 -2.807 -13.531 43 H THR 7 H THR 7 11.827 -0.712 -10.918 44 HA THR 7 HA THR 7 9.696 1.260 -10.648 45 HB THR 7 HB THR 7 11.188 2.105 -8.580 46 HG1 THR 7 HG1 THR 7 11.540 0.100 -7.306 47 HG21 THR 7 HG21 THR 7 9.189 1.925 -7.615 48 HG22 THR 7 HG22 THR 7 9.379 0.175 -7.501 49 HG23 THR 7 HG23 THR 7 8.658 0.893 -8.942 50 H CYS 8 H CYS 8 12.192 0.502 -12.319 51 HA CYS 8 HA CYS 8 13.205 3.250 -12.489 52 HB2 CYS 8 HB2 CYS 8 14.757 1.522 -11.266 53 HB3 CYS 8 HB3 CYS 8 15.098 0.965 -12.901 54 H ALA 9 H ALA 9 14.120 3.797 -14.565 55 HA ALA 9 HA ALA 9 12.608 2.727 -16.728 56 HB1 ALA 9 HB1 ALA 9 13.588 5.122 -16.361 57 HB2 ALA 9 HB2 ALA 9 15.000 4.452 -17.179 58 HB3 ALA 9 HB3 ALA 9 13.434 4.463 -17.990 59 H ARG 10 H ARG 10 15.434 1.700 -15.239 60 HA ARG 10 HA ARG 10 16.588 0.531 -17.648 61 HB2 ARG 10 HB2 ARG 10 17.561 0.242 -14.805 62 HB3 ARG 10 HB3 ARG 10 18.462 -0.076 -16.281 63 HG2 ARG 10 HG2 ARG 10 17.482 2.629 -15.392 64 HG3 ARG 10 HG3 ARG 10 19.129 2.022 -15.207 65 HD2 ARG 10 HD2 ARG 10 18.562 1.619 -17.887 66 HD3 ARG 10 HD3 ARG 10 17.819 3.177 -17.526 67 HE ARG 10 HE ARG 10 20.439 3.076 -16.473 68 HH11 ARG 10 HH11 ARG 10 18.713 3.352 -19.484 69 HH12 ARG 10 HH12 ARG 10 19.977 4.233 -20.278 70 HH21 ARG 10 HH21 ARG 10 22.110 4.235 -17.507 71 HH22 ARG 10 HH22 ARG 10 21.909 4.733 -19.153 72 H MET 11 H MET 11 13.969 -0.320 -16.497 73 HA MET 11 HA MET 11 14.567 -3.072 -15.694 74 HB2 MET 11 HB2 MET 11 12.435 -1.194 -15.135 75 HB3 MET 11 HB3 MET 11 11.792 -2.721 -15.723 76 HG2 MET 11 HG2 MET 11 13.866 -2.755 -13.591 77 HG3 MET 11 HG3 MET 11 12.210 -2.321 -13.174 78 HE1 MET 11 HE1 MET 11 13.985 -6.361 -13.980 79 HE2 MET 11 HE2 MET 11 13.933 -5.393 -15.453 80 HE3 MET 11 HE3 MET 11 14.753 -4.773 -14.019 81 H ASP 12 H ASP 12 12.527 -4.525 -16.562 82 HA ASP 12 HA ASP 12 13.111 -4.935 -19.306 83 HB2 ASP 12 HB2 ASP 12 11.997 -6.449 -17.280 84 HB3 ASP 12 HB3 ASP 12 10.637 -6.180 -18.368 85 H VAL 13 H VAL 13 10.895 -2.911 -17.697 86 HA VAL 13 HA VAL 13 9.326 -2.559 -20.166 87 HB VAL 13 HB VAL 13 7.693 -1.357 -18.597 88 HG11 VAL 13 HG11 VAL 13 7.265 -3.546 -19.612 89 HG12 VAL 13 HG12 VAL 13 8.101 -4.329 -18.269 90 HG13 VAL 13 HG13 VAL 13 6.602 -3.445 -17.981 91 HG21 VAL 13 HG21 VAL 13 9.320 -2.872 -16.557 92 HG22 VAL 13 HG22 VAL 13 9.171 -1.119 -16.684 93 HG23 VAL 13 HG23 VAL 13 7.767 -2.095 -16.250 94 HA PRO 14 HA PRO 14 11.937 1.241 -19.767 95 HB2 PRO 14 HB2 PRO 14 12.441 1.441 -22.427 96 HB3 PRO 14 HB3 PRO 14 13.413 0.445 -21.338 97 HG2 PRO 14 HG2 PRO 14 11.206 -0.372 -23.189 98 HG3 PRO 14 HG3 PRO 14 12.764 -1.164 -22.887 99 HD2 PRO 14 HD2 PRO 14 10.454 -2.018 -21.763 100 HD3 PRO 14 HD3 PRO 14 12.023 -2.161 -20.946 101 H ILE 15 H ILE 15 9.007 0.364 -21.223 102 HA ILE 15 HA ILE 15 8.271 2.526 -22.766 103 HB ILE 15 HB ILE 15 5.916 2.076 -21.964 104 HG12 ILE 15 HG12 ILE 15 6.590 -0.453 -20.724 105 HG13 ILE 15 HG13 ILE 15 7.272 0.892 -19.817 106 HG21 ILE 15 HG21 ILE 15 5.727 0.329 -23.407 107 HG22 ILE 15 HG22 ILE 15 7.376 0.819 -23.790 108 HG23 ILE 15 HG23 ILE 15 7.090 -0.542 -22.706 109 HD11 ILE 15 HD11 ILE 15 4.819 -0.043 -19.400 110 HD12 ILE 15 HD12 ILE 15 5.247 1.652 -19.167 111 HD13 ILE 15 HD13 ILE 15 4.451 1.140 -20.655 112 H LEU 16 H LEU 16 8.432 4.614 -22.299 113 HA LEU 16 HA LEU 16 8.224 6.614 -21.239 114 HB2 LEU 16 HB2 LEU 16 6.442 5.222 -19.258 115 HB3 LEU 16 HB3 LEU 16 6.455 6.931 -19.690 116 HG LEU 16 HG LEU 16 5.656 4.748 -21.606 117 HD11 LEU 16 HD11 LEU 16 4.236 4.965 -19.480 118 HD12 LEU 16 HD12 LEU 16 3.416 5.037 -21.039 119 HD13 LEU 16 HD13 LEU 16 3.735 6.521 -20.141 120 HD21 LEU 16 HD21 LEU 16 4.391 6.968 -22.414 121 HD22 LEU 16 HD22 LEU 16 6.000 6.513 -22.977 122 HD23 LEU 16 HD23 LEU 16 5.821 7.697 -21.681 123 H LYS 17 H LYS 17 10.481 6.291 -20.649 124 HA LYS 17 HA LYS 17 11.372 5.160 -18.266 125 HB2 LYS 17 HB2 LYS 17 12.578 7.594 -19.585 126 HB3 LYS 17 HB3 LYS 17 13.400 6.407 -18.580 127 HG2 LYS 17 HG2 LYS 17 12.331 4.889 -20.617 128 HG3 LYS 17 HG3 LYS 17 12.841 6.372 -21.426 129 HD2 LYS 17 HD2 LYS 17 15.073 6.105 -20.741 130 HD3 LYS 17 HD3 LYS 17 14.642 4.906 -19.519 131 HE2 LYS 17 HE2 LYS 17 14.834 3.239 -20.983 132 HE3 LYS 17 HE3 LYS 17 13.803 4.065 -22.151 133 HZ1 LYS 17 HZ1 LYS 17 16.133 3.588 -22.897 134 HZ2 LYS 17 HZ2 LYS 17 16.664 4.739 -21.777 135 HZ3 LYS 17 HZ3 LYS 17 15.647 5.202 -23.047 136 H LYS 18 H LYS 18 10.138 8.396 -18.931 137 HA LYS 18 HA LYS 18 10.783 9.651 -16.537 138 HB2 LYS 18 HB2 LYS 18 9.701 10.619 -18.665 139 HB3 LYS 18 HB3 LYS 18 8.171 10.117 -17.958 140 HG2 LYS 18 HG2 LYS 18 8.137 12.112 -16.981 141 HG3 LYS 18 HG3 LYS 18 9.385 11.483 -15.903 142 HD2 LYS 18 HD2 LYS 18 10.186 12.631 -18.537 143 HD3 LYS 18 HD3 LYS 18 9.752 13.724 -17.221 144 HE2 LYS 18 HE2 LYS 18 11.443 11.812 -16.080 145 HE3 LYS 18 HE3 LYS 18 12.173 12.213 -17.634 146 HZ1 LYS 18 HZ1 LYS 18 11.747 14.628 -16.885 147 HZ2 LYS 18 HZ2 LYS 18 13.063 13.789 -16.233 148 HZ3 LYS 18 HZ3 LYS 18 11.643 13.969 -15.331 149 H ALA 19 H ALA 19 8.120 7.486 -17.313 150 HA ALA 19 HA ALA 19 6.649 7.871 -14.927 151 HB1 ALA 19 HB1 ALA 19 6.669 5.335 -16.540 152 HB2 ALA 19 HB2 ALA 19 5.353 6.019 -15.585 153 HB3 ALA 19 HB3 ALA 19 5.851 6.799 -17.086 154 H ALA 20 H ALA 20 9.089 5.470 -15.869 155 HA ALA 20 HA ALA 20 9.022 3.862 -13.608 156 HB1 ALA 20 HB1 ALA 20 10.447 3.815 -15.876 157 HB2 ALA 20 HB2 ALA 20 11.689 4.392 -14.764 158 HB3 ALA 20 HB3 ALA 20 10.867 2.863 -14.452 159 H GLN 21 H GLN 21 10.937 6.796 -14.201 160 HA GLN 21 HA GLN 21 12.284 6.771 -11.718 161 HB2 GLN 21 HB2 GLN 21 12.047 8.550 -14.005 162 HB3 GLN 21 HB3 GLN 21 12.129 9.438 -12.490 163 HG2 GLN 21 HG2 GLN 21 14.225 8.513 -11.943 164 HG3 GLN 21 HG3 GLN 21 14.096 7.288 -13.204 165 HE21 GLN 21 HE21 GLN 21 13.855 10.826 -12.981 166 HE22 GLN 21 HE22 GLN 21 14.884 11.150 -14.330 167 H GLY 22 H GLY 22 9.142 7.893 -12.704 168 HA2 GLY 22 HA2 GLY 22 8.547 9.731 -10.708 169 HA3 GLY 22 HA3 GLY 22 7.366 8.691 -11.490 170 H LEU 23 H LEU 23 8.728 6.249 -10.525 171 HA LEU 23 HA LEU 23 7.322 6.005 -8.053 172 HB2 LEU 23 HB2 LEU 23 9.192 4.173 -9.535 173 HB3 LEU 23 HB3 LEU 23 8.430 3.733 -8.008 174 HG LEU 23 HG LEU 23 6.419 4.609 -9.847 175 HD11 LEU 23 HD11 LEU 23 6.688 3.284 -11.705 176 HD12 LEU 23 HD12 LEU 23 7.826 2.201 -10.904 177 HD13 LEU 23 HD13 LEU 23 8.347 3.808 -11.413 178 HD21 LEU 23 HD21 LEU 23 6.413 3.006 -7.806 179 HD22 LEU 23 HD22 LEU 23 6.865 1.779 -8.989 180 HD23 LEU 23 HD23 LEU 23 5.354 2.670 -9.176 181 H CYS 24 H CYS 24 10.097 7.551 -8.658 182 HA CYS 24 HA CYS 24 11.266 6.832 -6.049 183 HB2 CYS 24 HB2 CYS 24 12.481 6.847 -8.616 184 HB3 CYS 24 HB3 CYS 24 13.172 8.183 -7.702 185 H ILE 25 H ILE 25 11.006 9.489 -8.408 186 HA ILE 25 HA ILE 25 11.710 11.525 -6.571 187 HB ILE 25 HB ILE 25 10.138 11.744 -9.141 188 HG12 ILE 25 HG12 ILE 25 12.591 12.739 -9.694 189 HG13 ILE 25 HG13 ILE 25 13.021 11.519 -8.500 190 HG21 ILE 25 HG21 ILE 25 10.861 14.109 -9.101 191 HG22 ILE 25 HG22 ILE 25 9.780 13.694 -7.771 192 HG23 ILE 25 HG23 ILE 25 11.512 13.852 -7.482 193 HD11 ILE 25 HD11 ILE 25 12.713 9.865 -9.948 194 HD12 ILE 25 HD12 ILE 25 11.169 10.518 -10.495 195 HD13 ILE 25 HD13 ILE 25 12.675 11.113 -11.193 196 H THR 26 H THR 26 8.571 10.391 -7.791 197 HA THR 26 HA THR 26 7.075 12.206 -6.153 198 HB THR 26 HB THR 26 6.490 10.335 -8.261 199 HG1 THR 26 HG1 THR 26 5.646 12.254 -8.646 200 HG21 THR 26 HG21 THR 26 5.603 8.876 -6.541 201 HG22 THR 26 HG22 THR 26 4.272 9.599 -7.445 202 HG23 THR 26 HG23 THR 26 4.685 10.210 -5.843 203 H SER 27 H SER 27 8.040 8.825 -5.943 204 HA SER 27 HA SER 27 6.433 8.063 -3.780 205 HB2 SER 27 HB2 SER 27 8.016 6.664 -5.347 206 HB3 SER 27 HB3 SER 27 9.205 6.966 -4.081 207 HG SER 27 HG SER 27 7.040 5.297 -4.085 208 H CYS 28 H CYS 28 9.412 9.868 -3.925 209 HA CYS 28 HA CYS 28 10.050 9.641 -1.150 210 HB2 CYS 28 HB2 CYS 28 11.301 10.666 -3.456 211 HB3 CYS 28 HB3 CYS 28 11.129 12.028 -2.354 212 H SER 29 H SER 29 8.427 12.080 -3.138 213 HA SER 29 HA SER 29 8.111 14.070 -1.224 214 HB2 SER 29 HB2 SER 29 7.468 13.943 -3.795 215 HB3 SER 29 HB3 SER 29 5.878 13.552 -3.140 216 HG SER 29 HG SER 29 7.224 15.723 -2.028 217 H MET 30 H MET 30 6.350 11.089 -1.698 218 HA MET 30 HA MET 30 4.160 11.738 0.006 219 HB2 MET 30 HB2 MET 30 5.100 8.940 -0.568 220 HB3 MET 30 HB3 MET 30 3.462 9.507 -0.276 221 HG2 MET 30 HG2 MET 30 4.223 10.912 -2.515 222 HG3 MET 30 HG3 MET 30 4.965 9.331 -2.752 223 HE1 MET 30 HE1 MET 30 0.977 10.486 -3.950 224 HE2 MET 30 HE2 MET 30 2.435 11.418 -3.609 225 HE3 MET 30 HE3 MET 30 2.436 10.220 -4.904 226 H GLN 31 H GLN 31 7.395 10.869 0.582 227 HA GLN 31 HA GLN 31 6.774 10.036 3.334 228 HB2 GLN 31 HB2 GLN 31 9.528 9.784 2.240 229 HB3 GLN 31 HB3 GLN 31 8.663 8.737 3.358 230 HG2 GLN 31 HG2 GLN 31 7.215 8.419 1.077 231 HG3 GLN 31 HG3 GLN 31 8.844 8.643 0.442 232 HE21 GLN 31 HE21 GLN 31 7.044 6.825 2.887 233 HE22 GLN 31 HE22 GLN 31 7.985 5.382 2.759 234 H ASN 32 H ASN 32 7.001 12.809 2.073 235 HA ASN 32 HA ASN 32 7.668 14.874 2.756 236 HB2 ASN 32 HB2 ASN 32 7.343 13.491 5.074 237 HB3 ASN 32 HB3 ASN 32 9.037 13.955 5.205 238 HD21 ASN 32 HD21 ASN 32 8.762 15.407 6.840 239 HD22 ASN 32 HD22 ASN 32 7.913 16.901 6.653 240 H CYS 33 H CYS 33 9.343 13.428 1.038 241 HA CYS 33 HA CYS 33 12.046 14.137 1.952 242 HB2 CYS 33 HB2 CYS 33 11.099 12.259 -0.217 243 HB3 CYS 33 HB3 CYS 33 12.787 12.704 0.011 244 H GLY 34 H GLY 34 13.413 14.470 -0.326 245 HA2 GLY 34 HA2 GLY 34 12.137 16.856 -1.497 246 HA3 GLY 34 HA3 GLY 34 13.871 16.610 -1.352 247 H THR 35 H THR 35 14.464 14.328 -2.460 248 HA THR 35 HA THR 35 13.059 14.048 -5.002 249 HB THR 35 HB THR 35 14.874 15.776 -5.309 250 HG1 THR 35 HG1 THR 35 14.935 15.054 -7.298 251 HG21 THR 35 HG21 THR 35 16.445 14.351 -3.768 252 HG22 THR 35 HG22 THR 35 17.116 15.262 -5.120 253 HG23 THR 35 HG23 THR 35 16.841 13.528 -5.275 254 H GLY 36 H GLY 36 14.450 12.319 -6.361 255 HA2 GLY 36 HA2 GLY 36 15.800 10.322 -4.837 256 HA3 GLY 36 HA3 GLY 36 14.127 9.870 -5.127 257 H SER 37 H SER 37 17.038 9.179 -6.170 258 HA SER 37 HA SER 37 16.217 8.981 -8.995 259 HB2 SER 37 HB2 SER 37 18.415 10.334 -8.058 260 HB3 SER 37 HB3 SER 37 19.098 8.758 -8.459 261 HG SER 37 HG SER 37 17.397 10.072 -10.275 262 H CYS 38 H CYS 38 16.575 7.050 -10.066 263 HA CYS 38 HA CYS 38 17.253 4.769 -8.329 264 HB2 CYS 38 HB2 CYS 38 15.781 3.405 -9.651 265 HB3 CYS 38 HB3 CYS 38 14.902 4.860 -9.191 266 H LYS 39 H LYS 39 18.738 3.286 -8.992 267 HA LYS 39 HA LYS 39 19.877 3.533 -11.677 268 HB2 LYS 39 HB2 LYS 39 21.602 3.441 -9.200 269 HB3 LYS 39 HB3 LYS 39 22.143 3.610 -10.864 270 HG2 LYS 39 HG2 LYS 39 20.361 5.645 -9.571 271 HG3 LYS 39 HG3 LYS 39 22.118 5.699 -9.409 272 HD2 LYS 39 HD2 LYS 39 22.159 5.559 -11.972 273 HD3 LYS 39 HD3 LYS 39 20.447 5.979 -11.889 274 HE2 LYS 39 HE2 LYS 39 21.012 8.119 -11.726 275 HE3 LYS 39 HE3 LYS 39 21.804 7.769 -10.190 276 HZ1 LYS 39 HZ1 LYS 39 22.964 8.169 -12.827 277 HZ2 LYS 39 HZ2 LYS 39 23.679 6.966 -11.878 278 HZ3 LYS 39 HZ3 LYS 39 23.585 8.554 -11.301 279 H LYS 40 H LYS 40 20.990 1.667 -12.407 280 HA LYS 40 HA LYS 40 19.914 -0.778 -11.393 281 HB2 LYS 40 HB2 LYS 40 21.466 0.088 -13.724 282 HB3 LYS 40 HB3 LYS 40 21.893 -1.520 -13.154 283 HG2 LYS 40 HG2 LYS 40 19.085 -0.640 -13.788 284 HG3 LYS 40 HG3 LYS 40 20.144 -1.492 -14.914 285 HD2 LYS 40 HD2 LYS 40 20.360 -3.253 -13.048 286 HD3 LYS 40 HD3 LYS 40 18.938 -2.477 -12.348 287 HE2 LYS 40 HE2 LYS 40 18.303 -4.379 -13.734 288 HE3 LYS 40 HE3 LYS 40 17.701 -2.870 -14.418 289 HZ1 LYS 40 HZ1 LYS 40 20.296 -3.874 -15.334 290 HZ2 LYS 40 HZ2 LYS 40 19.126 -2.988 -16.175 291 HZ3 LYS 40 HZ3 LYS 40 18.899 -4.642 -15.901 292 H ARG 41 H ARG 41 20.653 -1.713 -9.608 293 HA ARG 41 HA ARG 41 23.510 -1.499 -8.962 294 HB2 ARG 41 HB2 ARG 41 21.172 -2.305 -7.221 295 HB3 ARG 41 HB3 ARG 41 22.844 -2.198 -6.688 296 HG2 ARG 41 HG2 ARG 41 21.245 0.115 -7.762 297 HG3 ARG 41 HG3 ARG 41 21.469 -0.247 -6.049 298 HD2 ARG 41 HD2 ARG 41 23.686 0.315 -8.015 299 HD3 ARG 41 HD3 ARG 41 23.023 1.483 -6.872 300 HE ARG 41 HE ARG 41 24.878 -0.632 -6.306 301 HH11 ARG 41 HH11 ARG 41 22.403 1.422 -4.973 302 HH12 ARG 41 HH12 ARG 41 22.990 1.295 -3.348 303 HH21 ARG 41 HH21 ARG 41 25.661 -0.807 -4.170 304 HH22 ARG 41 HH22 ARG 41 24.844 0.028 -2.893 305 H SER 42 H SER 42 24.683 -3.146 -9.683 306 HA SER 42 HA SER 42 25.366 -5.249 -10.223 307 HB2 SER 42 HB2 SER 42 24.433 -5.342 -7.620 308 HB3 SER 42 HB3 SER 42 23.599 -6.691 -8.392 309 HG SER 42 HG SER 42 25.530 -7.602 -8.901 310 H GLY 43 H GLY 43 23.119 -4.154 -11.668 311 HA2 GLY 43 HA2 GLY 43 21.888 -4.971 -13.461 312 HA3 GLY 43 HA3 GLY 43 22.202 -6.605 -12.896 313 H ARG 44 H ARG 44 21.017 -4.522 -10.487 314 HA ARG 44 HA ARG 44 18.305 -5.619 -10.842 315 HB2 ARG 44 HB2 ARG 44 19.834 -5.097 -8.288 316 HB3 ARG 44 HB3 ARG 44 18.126 -5.511 -8.346 317 HG2 ARG 44 HG2 ARG 44 20.209 -7.276 -9.580 318 HG3 ARG 44 HG3 ARG 44 19.793 -7.380 -7.868 319 HD2 ARG 44 HD2 ARG 44 17.971 -8.563 -8.332 320 HD3 ARG 44 HD3 ARG 44 17.403 -7.324 -9.450 321 HE ARG 44 HE ARG 44 19.308 -8.688 -10.850 322 HH11 ARG 44 HH11 ARG 44 16.385 -9.561 -9.173 323 HH12 ARG 44 HH12 ARG 44 16.037 -10.906 -10.209 324 HH21 ARG 44 HH21 ARG 44 18.861 -10.455 -12.222 325 HH22 ARG 44 HH22 ARG 44 17.447 -11.414 -11.942 326 HA PRO 45 HA PRO 45 17.001 -1.400 -11.038 327 HB2 PRO 45 HB2 PRO 45 14.340 -1.836 -10.726 328 HB3 PRO 45 HB3 PRO 45 15.200 -2.183 -12.231 329 HG2 PRO 45 HG2 PRO 45 14.394 -4.053 -10.036 330 HG3 PRO 45 HG3 PRO 45 14.290 -4.277 -11.792 331 HD2 PRO 45 HD2 PRO 45 16.270 -5.364 -10.299 332 HD3 PRO 45 HD3 PRO 45 16.517 -4.843 -11.978 333 H THR 46 H THR 46 17.986 -0.723 -9.058 334 HA THR 46 HA THR 46 16.305 -0.926 -6.660 335 HB THR 46 HB THR 46 19.187 -0.050 -6.941 336 HG1 THR 46 HG1 THR 46 19.331 -2.076 -5.562 337 HG21 THR 46 HG21 THR 46 18.287 1.135 -5.092 338 HG22 THR 46 HG22 THR 46 19.140 -0.253 -4.417 339 HG23 THR 46 HG23 THR 46 17.381 -0.273 -4.540 340 H CYS 47 H CYS 47 15.275 0.791 -5.837 341 HA CYS 47 HA CYS 47 15.608 3.362 -7.206 342 HB2 CYS 47 HB2 CYS 47 13.336 1.990 -6.673 343 HB3 CYS 47 HB3 CYS 47 13.419 3.016 -5.244 344 H VAL 48 H VAL 48 16.763 4.893 -6.259 345 HA VAL 48 HA VAL 48 17.083 4.817 -3.332 346 HB VAL 48 HB VAL 48 18.897 6.357 -5.161 347 HG11 VAL 48 HG11 VAL 48 19.528 6.944 -3.069 348 HG12 VAL 48 HG12 VAL 48 18.875 5.475 -2.341 349 HG13 VAL 48 HG13 VAL 48 20.433 5.434 -3.167 350 HG21 VAL 48 HG21 VAL 48 20.328 4.118 -4.711 351 HG22 VAL 48 HG22 VAL 48 18.710 3.430 -4.854 352 HG23 VAL 48 HG23 VAL 48 19.378 4.395 -6.171 353 H CYS 49 H CYS 49 16.897 6.715 -2.132 354 HA CYS 49 HA CYS 49 15.555 8.934 -3.532 355 HB2 CYS 49 HB2 CYS 49 14.803 7.414 -1.198 356 HB3 CYS 49 HB3 CYS 49 14.981 9.115 -0.782 357 H TYR 50 H TYR 50 15.783 11.067 -2.396 358 HA TYR 50 HA TYR 50 18.167 11.411 -0.790 359 HB2 TYR 50 HB2 TYR 50 17.960 12.596 -3.564 360 HB3 TYR 50 HB3 TYR 50 19.166 13.058 -2.369 361 HD1 TYR 50 HD1 TYR 50 20.983 11.537 -1.783 362 HD2 TYR 50 HD2 TYR 50 18.104 10.482 -4.733 363 HE1 TYR 50 HE1 TYR 50 22.453 9.724 -2.560 364 HE2 TYR 50 HE2 TYR 50 19.565 8.666 -5.518 365 HH TYR 50 HH TYR 50 22.661 8.445 -5.004 366 H ARG 51 H ARG 51 18.526 13.871 -0.429 367 HA ARG 51 HA ARG 51 17.702 15.725 0.611 368 HB2 ARG 51 HB2 ARG 51 15.702 15.593 -1.654 369 HB3 ARG 51 HB3 ARG 51 16.056 17.010 -0.674 370 HG2 ARG 51 HG2 ARG 51 18.531 16.352 -1.589 371 HG3 ARG 51 HG3 ARG 51 17.507 15.880 -2.947 372 HD2 ARG 51 HD2 ARG 51 16.997 18.008 -3.458 373 HD3 ARG 51 HD3 ARG 51 16.833 18.475 -1.766 374 HE ARG 51 HE ARG 51 19.114 18.846 -3.423 375 HH11 ARG 51 HH11 ARG 51 18.133 18.182 -0.150 376 HH12 ARG 51 HH12 ARG 51 19.560 18.866 0.555 377 HH21 ARG 51 HH21 ARG 51 20.998 19.750 -2.507 378 HH22 ARG 51 HH22 ARG 51 21.189 19.758 -0.787 379 H CYS 52 H CYS 52 16.627 13.118 1.440 380 HA CYS 52 HA CYS 52 13.848 13.413 2.006 381 HB2 CYS 52 HB2 CYS 52 15.523 11.297 2.007 382 HB3 CYS 52 HB3 CYS 52 15.483 11.645 3.732 383 H ALA 53 H ALA 53 13.167 13.131 4.429 384 HA ALA 53 HA ALA 53 14.440 15.333 5.907 385 HB1 ALA 53 HB1 ALA 53 11.647 14.437 5.590 386 HB2 ALA 53 HB2 ALA 53 12.106 15.006 7.195 387 HB3 ALA 53 HB3 ALA 53 12.305 16.060 5.795 388 H ASN 54 H ASN 54 13.463 11.984 6.091 389 HA ASN 54 HA ASN 54 14.190 11.804 8.907 390 HB2 ASN 54 HB2 ASN 54 13.059 9.792 6.956 391 HB3 ASN 54 HB3 ASN 54 13.507 9.388 8.610 392 HD21 ASN 54 HD21 ASN 54 12.394 10.476 10.333 393 HD22 ASN 54 HD22 ASN 54 10.774 11.028 10.094 394 H GLY 55 H GLY 55 16.098 12.270 6.563 395 HA2 GLY 55 HA2 GLY 55 18.297 10.865 7.605 396 HA3 GLY 55 HA3 GLY 55 17.708 9.998 6.195 397 H GLY 56 H GLY 56 16.833 12.466 4.854 398 HA2 GLY 56 HA2 GLY 56 17.682 13.960 3.332 399 HA3 GLY 56 HA3 GLY 56 18.900 14.320 4.547 400 H GLY 57 H GLY 57 18.127 11.654 2.296 401 HA2 GLY 57 HA2 GLY 57 20.218 11.820 0.579 402 HA3 GLY 57 HA3 GLY 57 20.928 11.031 1.980 403 H ASP 58 H ASP 58 21.301 9.067 1.014 404 HA ASP 58 HA ASP 58 19.450 7.670 -0.582 405 HB2 ASP 58 HB2 ASP 58 20.889 5.658 0.022 406 HB3 ASP 58 HB3 ASP 58 21.722 7.012 -0.735 407 H ILE 59 H ILE 59 17.452 7.300 0.191 408 HA ILE 59 HA ILE 59 17.240 5.652 2.610 409 HB ILE 59 HB ILE 59 15.278 7.862 2.033 410 HG12 ILE 59 HG12 ILE 59 17.691 8.624 2.537 411 HG13 ILE 59 HG13 ILE 59 16.392 9.308 3.508 412 HG21 ILE 59 HG21 ILE 59 15.725 5.920 4.259 413 HG22 ILE 59 HG22 ILE 59 14.933 7.462 4.576 414 HG23 ILE 59 HG23 ILE 59 14.233 6.334 3.416 415 HD11 ILE 59 HD11 ILE 59 17.700 6.867 4.539 416 HD12 ILE 59 HD12 ILE 59 18.632 8.364 4.566 417 HD13 ILE 59 HD13 ILE 59 17.079 8.276 5.398 418 HA PRO 60 HA PRO 60 14.930 3.360 -0.489 419 HB2 PRO 60 HB2 PRO 60 14.721 1.104 1.005 420 HB3 PRO 60 HB3 PRO 60 16.185 1.532 0.111 421 HG2 PRO 60 HG2 PRO 60 15.565 1.897 3.017 422 HG3 PRO 60 HG3 PRO 60 17.063 1.332 2.255 423 HD2 PRO 60 HD2 PRO 60 16.749 3.869 3.148 424 HD3 PRO 60 HD3 PRO 60 17.756 3.469 1.741 425 H LEU 61 H LEU 61 12.782 2.769 -0.719 426 HA LEU 61 HA LEU 61 10.853 4.083 0.749 427 HB2 LEU 61 HB2 LEU 61 10.927 2.162 -1.369 428 HB3 LEU 61 HB3 LEU 61 9.649 1.729 -0.236 429 HG LEU 61 HG LEU 61 8.560 3.842 -0.563 430 HD11 LEU 61 HD11 LEU 61 10.978 4.546 -2.212 431 HD12 LEU 61 HD12 LEU 61 10.406 5.335 -0.743 432 HD13 LEU 61 HD13 LEU 61 9.472 5.464 -2.233 433 HD21 LEU 61 HD21 LEU 61 7.764 2.438 -2.191 434 HD22 LEU 61 HD22 LEU 61 9.336 2.269 -2.972 435 HD23 LEU 61 HD23 LEU 61 8.400 3.750 -3.183 436 H GLY 62 H GLY 62 12.515 1.171 1.512 437 HA2 GLY 62 HA2 GLY 62 10.531 0.198 3.376 438 HA3 GLY 62 HA3 GLY 62 12.142 -0.459 3.125 439 H ALA 63 H ALA 63 13.489 2.085 3.532 440 HA ALA 63 HA ALA 63 13.629 1.989 6.408 441 HB1 ALA 63 HB1 ALA 63 15.430 3.703 6.089 442 HB2 ALA 63 HB2 ALA 63 15.696 2.179 5.243 443 HB3 ALA 63 HB3 ALA 63 15.136 3.594 4.353 444 H LEU 64 H LEU 64 12.104 3.970 4.028 445 HA LEU 64 HA LEU 64 11.748 6.247 5.763 446 HB2 LEU 64 HB2 LEU 64 11.260 5.586 2.978 447 HB3 LEU 64 HB3 LEU 64 9.921 6.479 3.695 448 HG LEU 64 HG LEU 64 12.743 7.473 3.917 449 HD11 LEU 64 HD11 LEU 64 11.015 8.566 1.787 450 HD12 LEU 64 HD12 LEU 64 11.737 6.986 1.487 451 HD13 LEU 64 HD13 LEU 64 12.767 8.372 1.845 452 HD21 LEU 64 HD21 LEU 64 10.112 8.382 4.680 453 HD22 LEU 64 HD22 LEU 64 10.913 9.552 3.630 454 HD23 LEU 64 HD23 LEU 64 11.696 9.022 5.120 455 H ILE 65 H ILE 65 10.462 3.269 5.835 456 HA ILE 65 HA ILE 65 7.683 3.927 6.213 457 HB ILE 65 HB ILE 65 9.053 1.359 6.999 458 HG12 ILE 65 HG12 ILE 65 7.921 2.195 4.322 459 HG13 ILE 65 HG13 ILE 65 9.593 1.774 4.677 460 HG21 ILE 65 HG21 ILE 65 7.021 0.590 7.481 461 HG22 ILE 65 HG22 ILE 65 6.458 2.257 7.371 462 HG23 ILE 65 HG23 ILE 65 6.355 1.197 5.966 463 HD11 ILE 65 HD11 ILE 65 7.216 -0.068 4.692 464 HD12 ILE 65 HD12 ILE 65 8.557 -0.054 3.545 465 HD13 ILE 65 HD13 ILE 65 8.835 -0.523 5.222 466 H LYS 66 H LYS 66 6.578 4.140 8.107 467 HA LYS 66 HA LYS 66 8.129 4.803 10.447 468 HB2 LYS 66 HB2 LYS 66 5.123 4.670 10.270 469 HB3 LYS 66 HB3 LYS 66 6.101 5.627 11.374 470 HG2 LYS 66 HG2 LYS 66 5.987 6.045 8.395 471 HG3 LYS 66 HG3 LYS 66 5.043 6.953 9.578 472 HD2 LYS 66 HD2 LYS 66 6.752 8.354 9.822 473 HD3 LYS 66 HD3 LYS 66 7.729 7.022 10.442 474 HE2 LYS 66 HE2 LYS 66 8.329 6.440 8.110 475 HE3 LYS 66 HE3 LYS 66 7.434 7.855 7.557 476 HZ1 LYS 66 HZ1 LYS 66 9.893 8.157 7.811 477 HZ2 LYS 66 HZ2 LYS 66 9.681 8.022 9.483 478 HZ3 LYS 66 HZ3 LYS 66 8.945 9.289 8.638 479 H ARG 67 H ARG 67 7.205 1.940 9.226 480 HA ARG 67 HA ARG 67 6.454 0.741 11.791 481 HB2 ARG 67 HB2 ARG 67 5.187 0.261 9.627 482 HB3 ARG 67 HB3 ARG 67 6.599 -0.660 9.127 483 HG2 ARG 67 HG2 ARG 67 5.631 -1.371 11.784 484 HG3 ARG 67 HG3 ARG 67 4.453 -1.648 10.499 485 HD2 ARG 67 HD2 ARG 67 7.229 -2.524 9.975 486 HD3 ARG 67 HD3 ARG 67 6.328 -3.435 11.186 487 HE ARG 67 HE ARG 67 5.921 -3.462 8.354 488 HH11 ARG 67 HH11 ARG 67 4.359 -3.864 11.439 489 HH12 ARG 67 HH12 ARG 67 3.104 -4.885 10.817 490 HH21 ARG 67 HH21 ARG 67 4.275 -4.805 7.524 491 HH22 ARG 67 HH22 ARG 67 3.058 -5.420 8.590 492 H GLY 68 H GLY 68 9.223 1.552 10.358 493 HA2 GLY 68 HA2 GLY 68 11.392 0.928 10.871 494 HA3 GLY 68 HA3 GLY 68 10.745 -0.392 11.834 Start of MODEL 16 1 H MET 1 H MET 1 2.126 -1.453 -0.239 2 HA MET 1 HA MET 1 -0.599 -2.511 0.142 3 HB2 MET 1 HB2 MET 1 0.014 -0.181 -1.105 4 HB3 MET 1 HB3 MET 1 0.074 -1.294 -2.465 5 HG2 MET 1 HG2 MET 1 -2.119 -1.051 -2.625 6 HG3 MET 1 HG3 MET 1 -2.250 -1.985 -1.137 7 HE1 MET 1 HE1 MET 1 -4.691 -0.612 -0.314 8 HE2 MET 1 HE2 MET 1 -3.423 -1.385 0.638 9 HE3 MET 1 HE3 MET 1 -4.038 0.201 1.108 10 H ASP 2 H ASP 2 2.335 -2.651 -1.823 11 HA ASP 2 HA ASP 2 2.196 -5.447 -2.151 12 HB2 ASP 2 HB2 ASP 2 1.593 -5.687 -4.445 13 HB3 ASP 2 HB3 ASP 2 0.335 -4.708 -3.696 14 H ILE 3 H ILE 3 3.785 -6.157 -3.970 15 HA ILE 3 HA ILE 3 6.128 -4.393 -3.773 16 HB ILE 3 HB ILE 3 6.301 -7.264 -4.607 17 HG12 ILE 3 HG12 ILE 3 6.182 -6.267 -1.751 18 HG13 ILE 3 HG13 ILE 3 4.955 -7.247 -2.546 19 HG21 ILE 3 HG21 ILE 3 8.494 -7.014 -3.367 20 HG22 ILE 3 HG22 ILE 3 8.323 -6.071 -4.847 21 HG23 ILE 3 HG23 ILE 3 8.137 -5.290 -3.277 22 HD11 ILE 3 HD11 ILE 3 7.363 -8.636 -2.856 23 HD12 ILE 3 HD12 ILE 3 7.334 -8.065 -1.187 24 HD13 ILE 3 HD13 ILE 3 6.005 -9.043 -1.808 25 H ASP 4 H ASP 4 7.645 -4.442 -5.623 26 HA ASP 4 HA ASP 4 6.430 -5.054 -8.205 27 HB2 ASP 4 HB2 ASP 4 7.427 -2.303 -7.436 28 HB3 ASP 4 HB3 ASP 4 7.038 -2.798 -9.082 29 H PHE 5 H PHE 5 7.868 -5.839 -9.621 30 HA PHE 5 HA PHE 5 10.607 -6.148 -8.782 31 HB2 PHE 5 HB2 PHE 5 9.566 -8.039 -9.834 32 HB3 PHE 5 HB3 PHE 5 9.105 -7.075 -11.233 33 HD1 PHE 5 HD1 PHE 5 10.202 -7.992 -13.045 34 HD2 PHE 5 HD2 PHE 5 12.353 -7.319 -9.435 35 HE1 PHE 5 HE1 PHE 5 12.292 -8.632 -14.175 36 HE2 PHE 5 HE2 PHE 5 14.446 -7.957 -10.559 37 HZ PHE 5 HZ PHE 5 14.418 -8.614 -12.932 38 H SER 6 H SER 6 8.824 -4.121 -10.956 39 HA SER 6 HA SER 6 11.352 -2.961 -11.929 40 HB2 SER 6 HB2 SER 6 9.954 -3.997 -13.708 41 HB3 SER 6 HB3 SER 6 8.651 -2.882 -13.296 42 HG SER 6 HG SER 6 9.593 -1.574 -14.633 43 H THR 7 H THR 7 11.799 -1.008 -11.180 44 HA THR 7 HA THR 7 9.631 0.890 -10.685 45 HB THR 7 HB THR 7 11.325 1.410 -8.565 46 HG1 THR 7 HG1 THR 7 12.322 -0.444 -8.253 47 HG21 THR 7 HG21 THR 7 9.259 -0.171 -7.533 48 HG22 THR 7 HG22 THR 7 8.610 0.545 -9.008 49 HG23 THR 7 HG23 THR 7 9.261 1.580 -7.737 50 H CYS 8 H CYS 8 12.175 0.363 -12.422 51 HA CYS 8 HA CYS 8 13.085 3.151 -12.315 52 HB2 CYS 8 HB2 CYS 8 14.700 1.445 -11.212 53 HB3 CYS 8 HB3 CYS 8 15.039 0.934 -12.863 54 H ALA 9 H ALA 9 13.996 3.929 -14.316 55 HA ALA 9 HA ALA 9 12.558 2.998 -16.594 56 HB1 ALA 9 HB1 ALA 9 13.389 5.394 -15.994 57 HB2 ALA 9 HB2 ALA 9 14.860 4.885 -16.824 58 HB3 ALA 9 HB3 ALA 9 13.319 4.882 -17.681 59 H ARG 10 H ARG 10 15.443 2.011 -15.171 60 HA ARG 10 HA ARG 10 16.654 1.111 -17.668 61 HB2 ARG 10 HB2 ARG 10 17.662 0.694 -14.852 62 HB3 ARG 10 HB3 ARG 10 18.569 0.507 -16.346 63 HG2 ARG 10 HG2 ARG 10 17.458 3.101 -15.297 64 HG3 ARG 10 HG3 ARG 10 19.136 2.573 -15.165 65 HD2 ARG 10 HD2 ARG 10 18.385 2.329 -17.880 66 HD3 ARG 10 HD3 ARG 10 17.835 3.910 -17.326 67 HE ARG 10 HE ARG 10 20.367 3.809 -16.410 68 HH11 ARG 10 HH11 ARG 10 18.958 3.213 -19.537 69 HH12 ARG 10 HH12 ARG 10 20.364 3.721 -20.412 70 HH21 ARG 10 HH21 ARG 10 22.224 4.482 -17.551 71 HH22 ARG 10 HH22 ARG 10 22.222 4.442 -19.282 72 H MET 11 H MET 11 14.105 0.009 -16.572 73 HA MET 11 HA MET 11 14.875 -2.745 -15.956 74 HB2 MET 11 HB2 MET 11 12.620 -1.052 -15.312 75 HB3 MET 11 HB3 MET 11 12.079 -2.567 -16.024 76 HG2 MET 11 HG2 MET 11 14.132 -2.695 -13.889 77 HG3 MET 11 HG3 MET 11 12.480 -2.290 -13.429 78 HE1 MET 11 HE1 MET 11 14.672 -4.873 -15.437 79 HE2 MET 11 HE2 MET 11 14.910 -5.050 -13.698 80 HE3 MET 11 HE3 MET 11 14.138 -6.342 -14.619 81 H ASP 12 H ASP 12 12.927 -4.259 -16.953 82 HA ASP 12 HA ASP 12 13.594 -4.477 -19.699 83 HB2 ASP 12 HB2 ASP 12 12.499 -6.155 -17.793 84 HB3 ASP 12 HB3 ASP 12 11.161 -5.890 -18.907 85 H VAL 13 H VAL 13 11.242 -2.657 -18.040 86 HA VAL 13 HA VAL 13 9.723 -2.233 -20.529 87 HB VAL 13 HB VAL 13 7.991 -1.209 -18.943 88 HG11 VAL 13 HG11 VAL 13 8.542 -4.170 -18.781 89 HG12 VAL 13 HG12 VAL 13 6.992 -3.383 -18.476 90 HG13 VAL 13 HG13 VAL 13 7.697 -3.350 -20.093 91 HG21 VAL 13 HG21 VAL 13 9.397 -1.010 -16.977 92 HG22 VAL 13 HG22 VAL 13 8.038 -2.083 -16.641 93 HG23 VAL 13 HG23 VAL 13 9.639 -2.757 -16.945 94 HA PRO 14 HA PRO 14 12.133 1.655 -19.821 95 HB2 PRO 14 HB2 PRO 14 12.721 2.032 -22.444 96 HB3 PRO 14 HB3 PRO 14 13.702 1.023 -21.375 97 HG2 PRO 14 HG2 PRO 14 11.606 0.209 -23.352 98 HG3 PRO 14 HG3 PRO 14 13.190 -0.523 -23.036 99 HD2 PRO 14 HD2 PRO 14 10.887 -1.550 -22.050 100 HD3 PRO 14 HD3 PRO 14 12.432 -1.665 -21.183 101 H ILE 15 H ILE 15 9.303 0.725 -21.429 102 HA ILE 15 HA ILE 15 8.512 2.928 -22.881 103 HB ILE 15 HB ILE 15 6.711 1.308 -21.078 104 HG12 ILE 15 HG12 ILE 15 6.542 0.461 -23.774 105 HG13 ILE 15 HG13 ILE 15 8.254 0.531 -23.373 106 HG21 ILE 15 HG21 ILE 15 5.314 2.955 -21.787 107 HG22 ILE 15 HG22 ILE 15 6.257 3.283 -23.240 108 HG23 ILE 15 HG23 ILE 15 5.187 1.883 -23.181 109 HD11 ILE 15 HD11 ILE 15 8.096 -1.379 -22.278 110 HD12 ILE 15 HD12 ILE 15 6.847 -0.709 -21.228 111 HD13 ILE 15 HD13 ILE 15 6.400 -1.484 -22.748 112 H LEU 16 H LEU 16 8.588 4.992 -22.293 113 HA LEU 16 HA LEU 16 8.255 6.923 -21.139 114 HB2 LEU 16 HB2 LEU 16 6.444 5.357 -19.319 115 HB3 LEU 16 HB3 LEU 16 6.412 7.087 -19.652 116 HG LEU 16 HG LEU 16 5.733 4.949 -21.669 117 HD11 LEU 16 HD11 LEU 16 3.390 5.912 -21.302 118 HD12 LEU 16 HD12 LEU 16 4.026 6.533 -19.780 119 HD13 LEU 16 HD13 LEU 16 4.021 4.798 -20.090 120 HD21 LEU 16 HD21 LEU 16 5.857 6.597 -23.148 121 HD22 LEU 16 HD22 LEU 16 6.275 7.750 -21.880 122 HD23 LEU 16 HD23 LEU 16 4.582 7.446 -22.274 123 H LYS 17 H LYS 17 10.483 6.698 -20.455 124 HA LYS 17 HA LYS 17 11.338 5.453 -18.116 125 HB2 LYS 17 HB2 LYS 17 12.440 8.022 -19.264 126 HB3 LYS 17 HB3 LYS 17 13.289 6.879 -18.233 127 HG2 LYS 17 HG2 LYS 17 12.430 5.358 -20.389 128 HG3 LYS 17 HG3 LYS 17 12.955 6.886 -21.100 129 HD2 LYS 17 HD2 LYS 17 15.127 6.670 -20.218 130 HD3 LYS 17 HD3 LYS 17 14.633 5.400 -19.097 131 HE2 LYS 17 HE2 LYS 17 15.006 3.810 -20.612 132 HE3 LYS 17 HE3 LYS 17 14.071 4.668 -21.836 133 HZ1 LYS 17 HZ1 LYS 17 16.096 4.754 -22.809 134 HZ2 LYS 17 HZ2 LYS 17 16.946 4.680 -21.348 135 HZ3 LYS 17 HZ3 LYS 17 16.253 6.139 -21.849 136 H LYS 18 H LYS 18 9.950 8.656 -18.618 137 HA LYS 18 HA LYS 18 10.419 9.773 -16.117 138 HB2 LYS 18 HB2 LYS 18 8.850 10.384 -18.406 139 HB3 LYS 18 HB3 LYS 18 7.809 10.537 -16.997 140 HG2 LYS 18 HG2 LYS 18 9.066 12.247 -16.088 141 HG3 LYS 18 HG3 LYS 18 10.513 11.805 -16.997 142 HD2 LYS 18 HD2 LYS 18 8.722 12.391 -18.987 143 HD3 LYS 18 HD3 LYS 18 8.287 13.555 -17.733 144 HE2 LYS 18 HE2 LYS 18 9.909 14.706 -18.899 145 HE3 LYS 18 HE3 LYS 18 10.856 13.964 -17.610 146 HZ1 LYS 18 HZ1 LYS 18 10.708 13.210 -20.458 147 HZ2 LYS 18 HZ2 LYS 18 11.211 12.089 -19.296 148 HZ3 LYS 18 HZ3 LYS 18 12.076 13.527 -19.513 149 H ALA 19 H ALA 19 7.920 7.528 -17.163 150 HA ALA 19 HA ALA 19 6.310 7.666 -14.848 151 HB1 ALA 19 HB1 ALA 19 5.152 5.828 -15.697 152 HB2 ALA 19 HB2 ALA 19 5.764 6.642 -17.137 153 HB3 ALA 19 HB3 ALA 19 6.573 5.198 -16.529 154 H ALA 20 H ALA 20 9.017 5.565 -15.746 155 HA ALA 20 HA ALA 20 8.898 3.874 -13.494 156 HB1 ALA 20 HB1 ALA 20 10.263 3.739 -15.756 157 HB2 ALA 20 HB2 ALA 20 11.526 4.451 -14.752 158 HB3 ALA 20 HB3 ALA 20 10.801 2.909 -14.296 159 H GLN 21 H GLN 21 10.795 6.810 -14.134 160 HA GLN 21 HA GLN 21 12.165 6.816 -11.664 161 HB2 GLN 21 HB2 GLN 21 11.865 8.601 -13.954 162 HB3 GLN 21 HB3 GLN 21 12.021 9.470 -12.433 163 HG2 GLN 21 HG2 GLN 21 14.133 8.570 -12.000 164 HG3 GLN 21 HG3 GLN 21 13.926 7.287 -13.190 165 HE21 GLN 21 HE21 GLN 21 16.058 8.076 -13.877 166 HE22 GLN 21 HE22 GLN 21 16.126 9.387 -15.001 167 H GLY 22 H GLY 22 9.018 7.953 -12.643 168 HA2 GLY 22 HA2 GLY 22 8.442 9.786 -10.637 169 HA3 GLY 22 HA3 GLY 22 7.250 8.760 -11.422 170 H LEU 23 H LEU 23 8.603 6.303 -10.469 171 HA LEU 23 HA LEU 23 7.195 6.056 -7.998 172 HB2 LEU 23 HB2 LEU 23 9.197 4.132 -9.160 173 HB3 LEU 23 HB3 LEU 23 7.921 3.778 -7.997 174 HG LEU 23 HG LEU 23 7.637 4.378 -10.934 175 HD11 LEU 23 HD11 LEU 23 6.297 2.166 -10.651 176 HD12 LEU 23 HD12 LEU 23 7.246 1.997 -9.175 177 HD13 LEU 23 HD13 LEU 23 8.058 2.121 -10.736 178 HD21 LEU 23 HD21 LEU 23 5.793 5.512 -10.216 179 HD22 LEU 23 HD22 LEU 23 5.663 4.584 -8.722 180 HD23 LEU 23 HD23 LEU 23 5.133 3.876 -10.248 181 H CYS 24 H CYS 24 9.965 7.603 -8.587 182 HA CYS 24 HA CYS 24 11.132 6.865 -5.982 183 HB2 CYS 24 HB2 CYS 24 12.352 6.856 -8.541 184 HB3 CYS 24 HB3 CYS 24 13.047 8.201 -7.643 185 H ILE 25 H ILE 25 10.909 9.524 -8.343 186 HA ILE 25 HA ILE 25 11.629 11.555 -6.511 187 HB ILE 25 HB ILE 25 10.046 11.783 -9.074 188 HG12 ILE 25 HG12 ILE 25 12.506 12.763 -9.634 189 HG13 ILE 25 HG13 ILE 25 12.929 11.536 -8.445 190 HG21 ILE 25 HG21 ILE 25 10.810 14.145 -9.034 191 HG22 ILE 25 HG22 ILE 25 9.698 13.741 -7.728 192 HG23 ILE 25 HG23 ILE 25 11.425 13.878 -7.404 193 HD11 ILE 25 HD11 ILE 25 12.613 9.893 -9.902 194 HD12 ILE 25 HD12 ILE 25 11.062 10.548 -10.428 195 HD13 ILE 25 HD13 ILE 25 12.560 11.145 -11.142 196 H THR 26 H THR 26 8.474 10.448 -7.716 197 HA THR 26 HA THR 26 7.000 12.276 -6.074 198 HB THR 26 HB THR 26 6.391 10.403 -8.174 199 HG1 THR 26 HG1 THR 26 4.553 12.230 -7.061 200 HG21 THR 26 HG21 THR 26 4.172 9.684 -7.345 201 HG22 THR 26 HG22 THR 26 4.596 10.298 -5.747 202 HG23 THR 26 HG23 THR 26 5.502 8.956 -6.446 203 H SER 27 H SER 27 7.944 8.889 -5.859 204 HA SER 27 HA SER 27 6.342 8.140 -3.689 205 HB2 SER 27 HB2 SER 27 7.936 6.742 -5.259 206 HB3 SER 27 HB3 SER 27 9.106 7.026 -3.970 207 HG SER 27 HG SER 27 6.993 5.329 -4.037 208 H CYS 28 H CYS 28 9.330 9.931 -3.845 209 HA CYS 28 HA CYS 28 9.971 9.712 -1.070 210 HB2 CYS 28 HB2 CYS 28 11.218 10.732 -3.385 211 HB3 CYS 28 HB3 CYS 28 11.063 12.089 -2.274 212 H SER 29 H SER 29 8.356 12.151 -3.065 213 HA SER 29 HA SER 29 8.053 14.151 -1.159 214 HB2 SER 29 HB2 SER 29 7.400 14.011 -3.729 215 HB3 SER 29 HB3 SER 29 5.811 13.636 -3.064 216 HG SER 29 HG SER 29 7.370 15.908 -2.381 217 H MET 30 H MET 30 6.282 11.173 -1.611 218 HA MET 30 HA MET 30 4.098 11.840 0.096 219 HB2 MET 30 HB2 MET 30 5.021 9.035 -0.471 220 HB3 MET 30 HB3 MET 30 3.387 9.613 -0.177 221 HG2 MET 30 HG2 MET 30 4.147 11.006 -2.422 222 HG3 MET 30 HG3 MET 30 4.883 9.422 -2.657 223 HE1 MET 30 HE1 MET 30 2.032 10.087 -4.852 224 HE2 MET 30 HE2 MET 30 0.996 10.850 -3.646 225 HE3 MET 30 HE3 MET 30 2.674 11.367 -3.822 226 H GLN 31 H GLN 31 7.331 10.952 0.662 227 HA GLN 31 HA GLN 31 6.716 10.134 3.420 228 HB2 GLN 31 HB2 GLN 31 9.464 9.860 2.314 229 HB3 GLN 31 HB3 GLN 31 8.598 8.824 3.440 230 HG2 GLN 31 HG2 GLN 31 7.133 8.493 1.179 231 HG3 GLN 31 HG3 GLN 31 8.752 8.724 0.520 232 HE21 GLN 31 HE21 GLN 31 6.964 6.884 2.952 233 HE22 GLN 31 HE22 GLN 31 7.922 5.451 2.828 234 H ASN 32 H ASN 32 6.950 12.901 2.154 235 HA ASN 32 HA ASN 32 7.635 14.964 2.825 236 HB2 ASN 32 HB2 ASN 32 7.313 13.589 5.149 237 HB3 ASN 32 HB3 ASN 32 9.010 14.046 5.271 238 HD21 ASN 32 HD21 ASN 32 7.406 15.043 7.117 239 HD22 ASN 32 HD22 ASN 32 7.084 16.719 6.845 240 H CYS 33 H CYS 33 9.296 13.490 1.109 241 HA CYS 33 HA CYS 33 12.006 14.190 2.008 242 HB2 CYS 33 HB2 CYS 33 11.036 12.309 -0.148 243 HB3 CYS 33 HB3 CYS 33 12.728 12.746 0.064 244 H GLY 34 H GLY 34 13.362 14.499 -0.285 245 HA2 GLY 34 HA2 GLY 34 12.101 16.894 -1.454 246 HA3 GLY 34 HA3 GLY 34 13.833 16.633 -1.318 247 H THR 35 H THR 35 14.400 14.343 -2.423 248 HA THR 35 HA THR 35 12.975 14.060 -4.952 249 HB THR 35 HB THR 35 14.788 15.784 -5.283 250 HG1 THR 35 HG1 THR 35 14.422 14.970 -7.209 251 HG21 THR 35 HG21 THR 35 16.370 14.350 -3.753 252 HG22 THR 35 HG22 THR 35 17.029 15.275 -5.102 253 HG23 THR 35 HG23 THR 35 16.758 13.541 -5.271 254 H GLY 36 H GLY 36 14.352 12.324 -6.318 255 HA2 GLY 36 HA2 GLY 36 15.709 10.330 -4.793 256 HA3 GLY 36 HA3 GLY 36 14.035 9.880 -5.079 257 H SER 37 H SER 37 16.936 9.171 -6.124 258 HA SER 37 HA SER 37 16.117 8.983 -8.950 259 HB2 SER 37 HB2 SER 37 18.262 10.379 -8.114 260 HB3 SER 37 HB3 SER 37 19.003 8.787 -8.279 261 HG SER 37 HG SER 37 17.993 8.790 -10.442 262 H CYS 38 H CYS 38 16.455 7.049 -10.023 263 HA CYS 38 HA CYS 38 17.108 4.759 -8.289 264 HB2 CYS 38 HB2 CYS 38 15.603 3.417 -9.576 265 HB3 CYS 38 HB3 CYS 38 14.751 4.903 -9.168 266 H LYS 39 H LYS 39 18.531 3.216 -8.990 267 HA LYS 39 HA LYS 39 19.653 3.425 -11.674 268 HB2 LYS 39 HB2 LYS 39 21.466 3.396 -9.263 269 HB3 LYS 39 HB3 LYS 39 21.919 3.615 -10.949 270 HG2 LYS 39 HG2 LYS 39 20.825 5.774 -10.996 271 HG3 LYS 39 HG3 LYS 39 20.271 5.551 -9.335 272 HD2 LYS 39 HD2 LYS 39 22.426 5.761 -8.462 273 HD3 LYS 39 HD3 LYS 39 23.189 5.430 -10.019 274 HE2 LYS 39 HE2 LYS 39 21.604 7.698 -10.426 275 HE3 LYS 39 HE3 LYS 39 22.386 7.946 -8.865 276 HZ1 LYS 39 HZ1 LYS 39 23.527 8.542 -11.188 277 HZ2 LYS 39 HZ2 LYS 39 24.094 6.960 -10.997 278 HZ3 LYS 39 HZ3 LYS 39 24.407 8.120 -9.806 279 H LYS 40 H LYS 40 20.595 1.529 -12.429 280 HA LYS 40 HA LYS 40 19.622 -0.879 -11.302 281 HB2 LYS 40 HB2 LYS 40 21.147 -0.074 -13.667 282 HB3 LYS 40 HB3 LYS 40 21.616 -1.651 -13.046 283 HG2 LYS 40 HG2 LYS 40 18.820 -0.816 -13.789 284 HG3 LYS 40 HG3 LYS 40 19.891 -1.832 -14.757 285 HD2 LYS 40 HD2 LYS 40 19.961 -3.443 -12.850 286 HD3 LYS 40 HD3 LYS 40 18.736 -2.462 -12.042 287 HE2 LYS 40 HE2 LYS 40 18.412 -3.737 -14.756 288 HE3 LYS 40 HE3 LYS 40 17.797 -4.412 -13.248 289 HZ1 LYS 40 HZ1 LYS 40 15.980 -3.288 -14.045 290 HZ2 LYS 40 HZ2 LYS 40 16.893 -2.035 -14.721 291 HZ3 LYS 40 HZ3 LYS 40 16.664 -2.105 -13.046 292 H ARG 41 H ARG 41 20.376 -1.820 -9.530 293 HA ARG 41 HA ARG 41 23.230 -1.554 -8.882 294 HB2 ARG 41 HB2 ARG 41 20.900 -2.324 -7.113 295 HB3 ARG 41 HB3 ARG 41 22.574 -2.192 -6.588 296 HG2 ARG 41 HG2 ARG 41 20.924 0.071 -7.695 297 HG3 ARG 41 HG3 ARG 41 21.227 -0.230 -5.983 298 HD2 ARG 41 HD2 ARG 41 23.372 0.260 -8.044 299 HD3 ARG 41 HD3 ARG 41 22.711 1.498 -6.977 300 HE ARG 41 HE ARG 41 24.661 -0.465 -6.311 301 HH11 ARG 41 HH11 ARG 41 21.996 1.365 -5.021 302 HH12 ARG 41 HH12 ARG 41 22.573 1.303 -3.389 303 HH21 ARG 41 HH21 ARG 41 25.431 -0.554 -4.166 304 HH22 ARG 41 HH22 ARG 41 24.528 0.212 -2.903 305 H SER 42 H SER 42 24.392 -3.215 -9.598 306 HA SER 42 HA SER 42 25.090 -5.331 -10.060 307 HB2 SER 42 HB2 SER 42 24.154 -5.366 -7.464 308 HB3 SER 42 HB3 SER 42 23.297 -6.717 -8.205 309 HG SER 42 HG SER 42 25.747 -6.726 -7.336 310 H GLY 43 H GLY 43 22.845 -4.265 -11.540 311 HA2 GLY 43 HA2 GLY 43 21.640 -5.128 -13.332 312 HA3 GLY 43 HA3 GLY 43 21.937 -6.747 -12.717 313 H ARG 44 H ARG 44 20.790 -4.774 -10.268 314 HA ARG 44 HA ARG 44 18.054 -5.791 -10.671 315 HB2 ARG 44 HB2 ARG 44 19.500 -5.192 -8.083 316 HB3 ARG 44 HB3 ARG 44 17.834 -5.740 -8.212 317 HG2 ARG 44 HG2 ARG 44 20.149 -7.322 -9.287 318 HG3 ARG 44 HG3 ARG 44 19.553 -7.492 -7.635 319 HD2 ARG 44 HD2 ARG 44 17.284 -7.952 -8.618 320 HD3 ARG 44 HD3 ARG 44 18.063 -8.022 -10.198 321 HE ARG 44 HE ARG 44 19.372 -9.757 -8.398 322 HH11 ARG 44 HH11 ARG 44 16.417 -9.442 -10.212 323 HH12 ARG 44 HH12 ARG 44 16.162 -11.150 -10.342 324 HH21 ARG 44 HH21 ARG 44 19.047 -12.009 -8.563 325 HH22 ARG 44 HH22 ARG 44 17.657 -12.610 -9.403 326 HA PRO 45 HA PRO 45 16.774 -1.567 -10.920 327 HB2 PRO 45 HB2 PRO 45 14.109 -1.985 -10.613 328 HB3 PRO 45 HB3 PRO 45 14.973 -2.353 -12.110 329 HG2 PRO 45 HG2 PRO 45 14.147 -4.193 -9.897 330 HG3 PRO 45 HG3 PRO 45 14.049 -4.438 -11.651 331 HD2 PRO 45 HD2 PRO 45 16.017 -5.518 -10.137 332 HD3 PRO 45 HD3 PRO 45 16.273 -5.018 -11.821 333 H THR 46 H THR 46 17.697 -0.770 -8.990 334 HA THR 46 HA THR 46 16.017 -0.961 -6.584 335 HB THR 46 HB THR 46 18.912 -0.125 -6.846 336 HG1 THR 46 HG1 THR 46 18.468 -2.405 -7.053 337 HG21 THR 46 HG21 THR 46 16.959 0.076 -4.644 338 HG22 THR 46 HG22 THR 46 18.428 1.005 -4.947 339 HG23 THR 46 HG23 THR 46 18.531 -0.594 -4.211 340 H CYS 47 H CYS 47 15.114 0.814 -5.684 341 HA CYS 47 HA CYS 47 15.459 3.349 -7.129 342 HB2 CYS 47 HB2 CYS 47 13.158 2.028 -6.591 343 HB3 CYS 47 HB3 CYS 47 13.254 3.072 -5.177 344 H VAL 48 H VAL 48 16.642 4.866 -6.194 345 HA VAL 48 HA VAL 48 16.957 4.812 -3.267 346 HB VAL 48 HB VAL 48 18.779 6.332 -5.103 347 HG11 VAL 48 HG11 VAL 48 20.312 5.390 -3.114 348 HG12 VAL 48 HG12 VAL 48 19.422 6.910 -3.012 349 HG13 VAL 48 HG13 VAL 48 18.757 5.447 -2.285 350 HG21 VAL 48 HG21 VAL 48 18.599 3.399 -4.752 351 HG22 VAL 48 HG22 VAL 48 19.184 4.344 -6.121 352 HG23 VAL 48 HG23 VAL 48 20.212 4.111 -4.707 353 H CYS 49 H CYS 49 16.787 6.716 -2.076 354 HA CYS 49 HA CYS 49 15.462 8.941 -3.484 355 HB2 CYS 49 HB2 CYS 49 14.693 7.434 -1.150 356 HB3 CYS 49 HB3 CYS 49 14.894 9.132 -0.731 357 H TYR 50 H TYR 50 15.708 11.076 -2.357 358 HA TYR 50 HA TYR 50 18.094 11.408 -0.751 359 HB2 TYR 50 HB2 TYR 50 17.901 12.583 -3.531 360 HB3 TYR 50 HB3 TYR 50 19.113 13.034 -2.337 361 HD1 TYR 50 HD1 TYR 50 18.022 10.465 -4.695 362 HD2 TYR 50 HD2 TYR 50 20.909 11.491 -1.742 363 HE1 TYR 50 HE1 TYR 50 19.463 8.630 -5.475 364 HE2 TYR 50 HE2 TYR 50 22.358 9.660 -2.515 365 HH TYR 50 HH TYR 50 22.700 8.336 -4.600 366 H ARG 51 H ARG 51 18.476 13.870 -0.412 367 HA ARG 51 HA ARG 51 17.669 15.740 0.613 368 HB2 ARG 51 HB2 ARG 51 15.660 15.598 -1.643 369 HB3 ARG 51 HB3 ARG 51 16.020 17.021 -0.674 370 HG2 ARG 51 HG2 ARG 51 18.492 16.350 -1.590 371 HG3 ARG 51 HG3 ARG 51 17.464 15.870 -2.942 372 HD2 ARG 51 HD2 ARG 51 16.945 17.996 -3.462 373 HD3 ARG 51 HD3 ARG 51 16.810 18.479 -1.772 374 HE ARG 51 HE ARG 51 19.508 18.089 -2.294 375 HH11 ARG 51 HH11 ARG 51 16.938 20.181 -3.362 376 HH12 ARG 51 HH12 ARG 51 17.992 21.509 -3.722 377 HH21 ARG 51 HH21 ARG 51 20.905 19.830 -2.763 378 HH22 ARG 51 HH22 ARG 51 20.248 21.307 -3.381 379 H CYS 52 H CYS 52 16.587 13.150 1.478 380 HA CYS 52 HA CYS 52 13.811 13.471 2.055 381 HB2 CYS 52 HB2 CYS 52 15.465 11.339 2.056 382 HB3 CYS 52 HB3 CYS 52 15.444 11.698 3.780 383 H ALA 53 H ALA 53 13.138 13.216 4.480 384 HA ALA 53 HA ALA 53 14.445 15.411 5.939 385 HB1 ALA 53 HB1 ALA 53 11.641 14.553 5.632 386 HB2 ALA 53 HB2 ALA 53 12.109 15.112 7.238 387 HB3 ALA 53 HB3 ALA 53 12.321 16.167 5.841 388 H ASN 54 H ASN 54 13.454 12.072 6.137 389 HA ASN 54 HA ASN 54 14.176 11.899 8.955 390 HB2 ASN 54 HB2 ASN 54 12.178 10.696 7.775 391 HB3 ASN 54 HB3 ASN 54 13.406 9.539 7.271 392 HD21 ASN 54 HD21 ASN 54 14.271 8.149 8.742 393 HD22 ASN 54 HD22 ASN 54 13.698 8.002 10.366 394 H GLY 55 H GLY 55 16.087 12.345 6.610 395 HA2 GLY 55 HA2 GLY 55 18.281 10.943 7.656 396 HA3 GLY 55 HA3 GLY 55 17.682 10.056 6.261 397 H GLY 56 H GLY 56 16.810 12.510 4.889 398 HA2 GLY 56 HA2 GLY 56 17.657 13.982 3.345 399 HA3 GLY 56 HA3 GLY 56 18.890 14.344 4.543 400 H GLY 57 H GLY 57 18.069 11.667 2.325 401 HA2 GLY 57 HA2 GLY 57 20.147 11.793 0.589 402 HA3 GLY 57 HA3 GLY 57 20.861 11.010 1.991 403 H ASP 58 H ASP 58 21.204 9.032 1.043 404 HA ASP 58 HA ASP 58 19.331 7.639 -0.528 405 HB2 ASP 58 HB2 ASP 58 20.759 5.604 0.238 406 HB3 ASP 58 HB3 ASP 58 21.514 6.855 -0.746 407 H ILE 59 H ILE 59 17.324 7.352 0.277 408 HA ILE 59 HA ILE 59 17.094 5.709 2.699 409 HB ILE 59 HB ILE 59 15.182 7.965 2.127 410 HG12 ILE 59 HG12 ILE 59 17.624 8.657 2.622 411 HG13 ILE 59 HG13 ILE 59 16.343 9.389 3.582 412 HG21 ILE 59 HG21 ILE 59 14.113 6.451 3.515 413 HG22 ILE 59 HG22 ILE 59 15.598 6.026 4.365 414 HG23 ILE 59 HG23 ILE 59 14.825 7.582 4.665 415 HD11 ILE 59 HD11 ILE 59 18.549 8.393 4.658 416 HD12 ILE 59 HD12 ILE 59 16.991 8.348 5.484 417 HD13 ILE 59 HD13 ILE 59 17.582 6.919 4.636 418 HA PRO 60 HA PRO 60 14.713 3.477 -0.399 419 HB2 PRO 60 HB2 PRO 60 14.516 1.201 1.069 420 HB3 PRO 60 HB3 PRO 60 15.964 1.629 0.149 421 HG2 PRO 60 HG2 PRO 60 15.411 1.959 3.073 422 HG3 PRO 60 HG3 PRO 60 16.887 1.391 2.270 423 HD2 PRO 60 HD2 PRO 60 16.618 3.918 3.204 424 HD3 PRO 60 HD3 PRO 60 17.589 3.528 1.769 425 H LEU 61 H LEU 61 12.556 2.877 -0.580 426 HA LEU 61 HA LEU 61 10.668 4.200 0.932 427 HB2 LEU 61 HB2 LEU 61 10.397 1.683 -0.698 428 HB3 LEU 61 HB3 LEU 61 9.027 2.571 -0.035 429 HG LEU 61 HG LEU 61 10.948 3.469 -2.174 430 HD11 LEU 61 HD11 LEU 61 8.375 3.868 -3.025 431 HD12 LEU 61 HD12 LEU 61 8.248 2.371 -2.102 432 HD13 LEU 61 HD13 LEU 61 9.392 2.488 -3.439 433 HD21 LEU 61 HD21 LEU 61 9.006 5.035 -0.515 434 HD22 LEU 61 HD22 LEU 61 9.380 5.517 -2.169 435 HD23 LEU 61 HD23 LEU 61 10.665 5.433 -0.963 436 H GLY 62 H GLY 62 12.333 1.279 1.655 437 HA2 GLY 62 HA2 GLY 62 10.391 0.302 3.555 438 HA3 GLY 62 HA3 GLY 62 12.003 -0.343 3.281 439 H ALA 63 H ALA 63 13.342 2.204 3.669 440 HA ALA 63 HA ALA 63 13.513 2.118 6.544 441 HB1 ALA 63 HB1 ALA 63 14.975 3.869 4.570 442 HB2 ALA 63 HB2 ALA 63 15.370 3.674 6.278 443 HB3 ALA 63 HB3 ALA 63 15.531 2.308 5.174 444 H LEU 64 H LEU 64 11.928 4.062 4.184 445 HA LEU 64 HA LEU 64 11.589 6.344 5.928 446 HB2 LEU 64 HB2 LEU 64 11.092 5.699 3.132 447 HB3 LEU 64 HB3 LEU 64 9.787 6.632 3.862 448 HG LEU 64 HG LEU 64 12.629 7.548 4.106 449 HD11 LEU 64 HD11 LEU 64 10.995 8.658 1.913 450 HD12 LEU 64 HD12 LEU 64 11.667 7.048 1.655 451 HD13 LEU 64 HD13 LEU 64 12.737 8.402 2.019 452 HD21 LEU 64 HD21 LEU 64 11.605 9.163 5.235 453 HD22 LEU 64 HD22 LEU 64 10.016 8.528 4.809 454 HD23 LEU 64 HD23 LEU 64 10.834 9.657 3.727 455 H ILE 65 H ILE 65 10.354 3.393 6.090 456 HA ILE 65 HA ILE 65 7.550 4.026 6.394 457 HB ILE 65 HB ILE 65 8.940 1.475 7.202 458 HG12 ILE 65 HG12 ILE 65 7.788 2.285 4.525 459 HG13 ILE 65 HG13 ILE 65 9.465 1.878 4.876 460 HG21 ILE 65 HG21 ILE 65 6.916 0.680 7.686 461 HG22 ILE 65 HG22 ILE 65 6.345 2.345 7.596 462 HG23 ILE 65 HG23 ILE 65 6.233 1.298 6.182 463 HD11 ILE 65 HD11 ILE 65 7.105 0.015 4.929 464 HD12 ILE 65 HD12 ILE 65 8.419 0.041 3.753 465 HD13 ILE 65 HD13 ILE 65 8.740 -0.420 5.425 466 H LYS 66 H LYS 66 6.445 4.317 8.264 467 HA LYS 66 HA LYS 66 7.984 4.936 10.627 468 HB2 LYS 66 HB2 LYS 66 4.979 4.937 10.407 469 HB3 LYS 66 HB3 LYS 66 5.987 5.869 11.506 470 HG2 LYS 66 HG2 LYS 66 5.911 6.241 8.520 471 HG3 LYS 66 HG3 LYS 66 5.012 7.216 9.685 472 HD2 LYS 66 HD2 LYS 66 6.788 8.527 9.936 473 HD3 LYS 66 HD3 LYS 66 7.711 7.148 10.538 474 HE2 LYS 66 HE2 LYS 66 8.272 6.550 8.211 475 HE3 LYS 66 HE3 LYS 66 7.408 7.982 7.654 476 HZ1 LYS 66 HZ1 LYS 66 8.997 9.213 9.241 477 HZ2 LYS 66 HZ2 LYS 66 9.583 8.695 7.741 478 HZ3 LYS 66 HZ3 LYS 66 9.945 7.815 9.140 479 H ARG 67 H ARG 67 7.002 2.107 9.413 480 HA ARG 67 HA ARG 67 6.720 0.016 10.263 481 HB2 ARG 67 HB2 ARG 67 8.117 1.489 12.362 482 HB3 ARG 67 HB3 ARG 67 7.148 0.163 12.992 483 HG2 ARG 67 HG2 ARG 67 9.477 -0.477 12.514 484 HG3 ARG 67 HG3 ARG 67 8.300 -1.413 11.588 485 HD2 ARG 67 HD2 ARG 67 9.210 -0.753 9.672 486 HD3 ARG 67 HD3 ARG 67 9.040 0.941 10.129 487 HE ARG 67 HE ARG 67 11.227 0.187 11.501 488 HH11 ARG 67 HH11 ARG 67 10.305 -0.175 8.164 489 HH12 ARG 67 HH12 ARG 67 11.934 -0.132 7.574 490 HH21 ARG 67 HH21 ARG 67 13.375 0.245 10.737 491 HH22 ARG 67 HH22 ARG 67 13.679 0.106 9.038 492 H GLY 68 H GLY 68 4.629 2.285 10.524 493 HA2 GLY 68 HA2 GLY 68 2.796 0.724 12.231 494 HA3 GLY 68 HA3 GLY 68 2.853 2.478 12.332 Start of MODEL 17 1 H MET 1 H MET 1 2.095 -1.413 -3.265 2 HA MET 1 HA MET 1 1.504 0.500 -5.163 3 HB2 MET 1 HB2 MET 1 3.707 1.348 -3.287 4 HB3 MET 1 HB3 MET 1 3.556 1.986 -4.919 5 HG2 MET 1 HG2 MET 1 2.260 3.559 -4.054 6 HG3 MET 1 HG3 MET 1 1.031 2.310 -3.865 7 HE1 MET 1 HE1 MET 1 4.353 3.521 -1.553 8 HE2 MET 1 HE2 MET 1 3.418 4.663 -2.518 9 HE3 MET 1 HE3 MET 1 3.238 4.637 -0.763 10 H ASP 2 H ASP 2 2.008 -2.066 -5.463 11 HA ASP 2 HA ASP 2 3.194 -3.576 -6.683 12 HB2 ASP 2 HB2 ASP 2 4.904 -1.257 -7.589 13 HB3 ASP 2 HB3 ASP 2 4.628 -2.781 -8.428 14 H ILE 3 H ILE 3 5.365 -4.597 -6.913 15 HA ILE 3 HA ILE 3 6.719 -4.521 -4.372 16 HB ILE 3 HB ILE 3 7.688 -6.117 -6.717 17 HG12 ILE 3 HG12 ILE 3 5.985 -7.830 -5.426 18 HG13 ILE 3 HG13 ILE 3 5.079 -6.322 -5.373 19 HG21 ILE 3 HG21 ILE 3 7.814 -6.294 -3.743 20 HG22 ILE 3 HG22 ILE 3 7.934 -7.767 -4.703 21 HG23 ILE 3 HG23 ILE 3 9.101 -6.466 -4.937 22 HD11 ILE 3 HD11 ILE 3 4.637 -6.374 -7.563 23 HD12 ILE 3 HD12 ILE 3 6.251 -6.951 -7.980 24 HD13 ILE 3 HD13 ILE 3 5.026 -8.088 -7.419 25 H ASP 4 H ASP 4 9.114 -4.473 -4.252 26 HA ASP 4 HA ASP 4 10.104 -2.128 -5.588 27 HB2 ASP 4 HB2 ASP 4 11.387 -4.031 -3.620 28 HB3 ASP 4 HB3 ASP 4 12.177 -2.586 -4.245 29 H PHE 5 H PHE 5 9.933 -5.326 -6.450 30 HA PHE 5 HA PHE 5 12.459 -5.794 -7.612 31 HB2 PHE 5 HB2 PHE 5 10.927 -7.628 -7.208 32 HB3 PHE 5 HB3 PHE 5 9.738 -6.922 -8.298 33 HD1 PHE 5 HD1 PHE 5 13.406 -7.434 -8.682 34 HD2 PHE 5 HD2 PHE 5 9.494 -8.374 -10.071 35 HE1 PHE 5 HE1 PHE 5 14.379 -8.701 -10.554 36 HE2 PHE 5 HE2 PHE 5 10.460 -9.642 -11.945 37 HZ PHE 5 HZ PHE 5 12.905 -9.808 -12.188 38 H SER 6 H SER 6 9.928 -3.716 -8.503 39 HA SER 6 HA SER 6 11.321 -3.009 -10.953 40 HB2 SER 6 HB2 SER 6 9.359 -3.159 -12.370 41 HB3 SER 6 HB3 SER 6 9.648 -4.733 -11.628 42 HG SER 6 HG SER 6 7.411 -3.838 -11.609 43 H THR 7 H THR 7 11.743 -0.954 -10.408 44 HA THR 7 HA THR 7 9.502 0.869 -10.121 45 HB THR 7 HB THR 7 10.926 1.969 -8.164 46 HG1 THR 7 HG1 THR 7 11.778 0.310 -6.823 47 HG21 THR 7 HG21 THR 7 8.977 1.599 -7.151 48 HG22 THR 7 HG22 THR 7 9.456 -0.071 -6.849 49 HG23 THR 7 HG23 THR 7 8.592 0.345 -8.329 50 H CYS 8 H CYS 8 11.913 0.199 -11.889 51 HA CYS 8 HA CYS 8 12.785 2.982 -12.210 52 HB2 CYS 8 HB2 CYS 8 14.494 1.385 -11.035 53 HB3 CYS 8 HB3 CYS 8 14.744 0.758 -12.661 54 H ALA 9 H ALA 9 13.592 3.472 -14.363 55 HA ALA 9 HA ALA 9 11.967 2.309 -16.388 56 HB1 ALA 9 HB1 ALA 9 14.307 4.029 -17.060 57 HB2 ALA 9 HB2 ALA 9 12.685 4.009 -17.755 58 HB3 ALA 9 HB3 ALA 9 12.955 4.724 -16.165 59 H ARG 10 H ARG 10 14.938 1.416 -15.063 60 HA ARG 10 HA ARG 10 15.902 0.121 -17.493 61 HB2 ARG 10 HB2 ARG 10 17.147 0.035 -14.745 62 HB3 ARG 10 HB3 ARG 10 17.914 -0.339 -16.283 63 HG2 ARG 10 HG2 ARG 10 16.930 2.381 -15.448 64 HG3 ARG 10 HG3 ARG 10 18.607 1.835 -15.393 65 HD2 ARG 10 HD2 ARG 10 17.661 1.290 -17.989 66 HD3 ARG 10 HD3 ARG 10 17.126 2.922 -17.590 67 HE ARG 10 HE ARG 10 19.783 2.096 -18.164 68 HH11 ARG 10 HH11 ARG 10 17.921 4.300 -16.217 69 HH12 ARG 10 HH12 ARG 10 19.194 5.469 -16.089 70 HH21 ARG 10 HH21 ARG 10 21.467 3.626 -18.004 71 HH22 ARG 10 HH22 ARG 10 21.211 5.084 -17.107 72 H MET 11 H MET 11 13.427 -0.714 -16.049 73 HA MET 11 HA MET 11 14.087 -3.288 -14.906 74 HB2 MET 11 HB2 MET 11 11.852 -1.510 -14.842 75 HB3 MET 11 HB3 MET 11 11.299 -3.074 -15.425 76 HG2 MET 11 HG2 MET 11 12.968 -2.800 -12.950 77 HG3 MET 11 HG3 MET 11 11.212 -2.649 -12.922 78 HE1 MET 11 HE1 MET 11 9.740 -5.857 -13.604 79 HE2 MET 11 HE2 MET 11 9.777 -4.190 -14.181 80 HE3 MET 11 HE3 MET 11 10.467 -5.481 -15.167 81 H ASP 12 H ASP 12 11.760 -2.417 -17.462 82 HA ASP 12 HA ASP 12 12.919 -4.324 -19.293 83 HB2 ASP 12 HB2 ASP 12 11.098 -5.367 -17.548 84 HB3 ASP 12 HB3 ASP 12 10.057 -4.893 -18.888 85 H VAL 13 H VAL 13 10.251 -2.151 -18.512 86 HA VAL 13 HA VAL 13 10.004 -1.505 -21.376 87 HB VAL 13 HB VAL 13 7.781 -0.483 -20.682 88 HG11 VAL 13 HG11 VAL 13 7.597 -3.375 -20.100 89 HG12 VAL 13 HG12 VAL 13 6.732 -2.396 -21.287 90 HG13 VAL 13 HG13 VAL 13 8.384 -2.923 -21.612 91 HG21 VAL 13 HG21 VAL 13 6.924 -0.747 -18.601 92 HG22 VAL 13 HG22 VAL 13 7.733 -2.293 -18.343 93 HG23 VAL 13 HG23 VAL 13 8.632 -0.787 -18.161 94 HA PRO 14 HA PRO 14 11.988 2.188 -19.421 95 HB2 PRO 14 HB2 PRO 14 13.655 2.671 -21.509 96 HB3 PRO 14 HB3 PRO 14 14.051 1.547 -20.204 97 HG2 PRO 14 HG2 PRO 14 12.980 0.973 -22.940 98 HG3 PRO 14 HG3 PRO 14 14.251 0.129 -22.036 99 HD2 PRO 14 HD2 PRO 14 11.716 -0.808 -22.204 100 HD3 PRO 14 HD3 PRO 14 12.736 -1.065 -20.774 101 H ILE 15 H ILE 15 10.085 1.523 -22.139 102 HA ILE 15 HA ILE 15 10.065 3.844 -23.622 103 HB ILE 15 HB ILE 15 7.643 2.202 -22.876 104 HG12 ILE 15 HG12 ILE 15 9.409 0.812 -23.834 105 HG13 ILE 15 HG13 ILE 15 8.087 0.994 -24.981 106 HG21 ILE 15 HG21 ILE 15 6.757 4.092 -23.859 107 HG22 ILE 15 HG22 ILE 15 8.145 4.318 -24.922 108 HG23 ILE 15 HG23 ILE 15 6.982 3.035 -25.252 109 HD11 ILE 15 HD11 ILE 15 10.201 1.161 -26.118 110 HD12 ILE 15 HD12 ILE 15 9.383 2.724 -26.153 111 HD13 ILE 15 HD13 ILE 15 10.718 2.451 -25.033 112 H LEU 16 H LEU 16 8.735 3.264 -20.449 113 HA LEU 16 HA LEU 16 7.829 6.067 -20.366 114 HB2 LEU 16 HB2 LEU 16 6.704 3.796 -18.740 115 HB3 LEU 16 HB3 LEU 16 6.097 5.448 -18.832 116 HG LEU 16 HG LEU 16 6.002 4.536 -21.454 117 HD11 LEU 16 HD11 LEU 16 6.213 2.261 -19.933 118 HD12 LEU 16 HD12 LEU 16 5.503 2.364 -21.544 119 HD13 LEU 16 HD13 LEU 16 4.469 2.451 -20.118 120 HD21 LEU 16 HD21 LEU 16 3.676 4.381 -19.569 121 HD22 LEU 16 HD22 LEU 16 3.709 4.895 -21.256 122 HD23 LEU 16 HD23 LEU 16 4.398 5.930 -20.005 123 H LYS 17 H LYS 17 10.130 6.393 -19.739 124 HA LYS 17 HA LYS 17 11.167 5.393 -17.312 125 HB2 LYS 17 HB2 LYS 17 11.860 7.954 -18.764 126 HB3 LYS 17 HB3 LYS 17 12.829 7.194 -17.508 127 HG2 LYS 17 HG2 LYS 17 12.469 5.178 -19.359 128 HG3 LYS 17 HG3 LYS 17 12.687 6.626 -20.345 129 HD2 LYS 17 HD2 LYS 17 14.774 7.118 -19.263 130 HD3 LYS 17 HD3 LYS 17 14.527 5.816 -18.097 131 HE2 LYS 17 HE2 LYS 17 15.381 4.303 -19.491 132 HE3 LYS 17 HE3 LYS 17 14.347 4.845 -20.812 133 HZ1 LYS 17 HZ1 LYS 17 16.392 6.736 -20.347 134 HZ2 LYS 17 HZ2 LYS 17 16.066 5.849 -21.749 135 HZ3 LYS 17 HZ3 LYS 17 17.080 5.205 -20.558 136 H LYS 18 H LYS 18 9.308 8.283 -18.105 137 HA LYS 18 HA LYS 18 9.534 9.639 -15.679 138 HB2 LYS 18 HB2 LYS 18 8.207 10.061 -18.049 139 HB3 LYS 18 HB3 LYS 18 6.882 9.808 -16.920 140 HG2 LYS 18 HG2 LYS 18 7.236 12.112 -16.910 141 HG3 LYS 18 HG3 LYS 18 8.033 11.538 -15.443 142 HD2 LYS 18 HD2 LYS 18 10.095 12.071 -16.200 143 HD3 LYS 18 HD3 LYS 18 9.715 11.618 -17.863 144 HE2 LYS 18 HE2 LYS 18 8.159 13.784 -17.636 145 HE3 LYS 18 HE3 LYS 18 9.415 14.217 -16.478 146 HZ1 LYS 18 HZ1 LYS 18 9.745 13.611 -19.360 147 HZ2 LYS 18 HZ2 LYS 18 11.049 13.709 -18.287 148 HZ3 LYS 18 HZ3 LYS 18 10.076 15.066 -18.563 149 H ALA 19 H ALA 19 7.403 7.012 -16.647 150 HA ALA 19 HA ALA 19 5.765 7.100 -14.314 151 HB1 ALA 19 HB1 ALA 19 5.229 6.052 -16.592 152 HB2 ALA 19 HB2 ALA 19 6.148 4.661 -16.016 153 HB3 ALA 19 HB3 ALA 19 4.711 5.190 -15.142 154 H ALA 20 H ALA 20 8.516 5.087 -15.311 155 HA ALA 20 HA ALA 20 8.570 3.452 -13.018 156 HB1 ALA 20 HB1 ALA 20 11.152 4.011 -14.318 157 HB2 ALA 20 HB2 ALA 20 10.361 2.473 -13.973 158 HB3 ALA 20 HB3 ALA 20 9.873 3.419 -15.379 159 H GLN 21 H GLN 21 10.339 6.427 -13.824 160 HA GLN 21 HA GLN 21 11.833 6.532 -11.427 161 HB2 GLN 21 HB2 GLN 21 11.364 8.256 -13.740 162 HB3 GLN 21 HB3 GLN 21 11.597 9.157 -12.247 163 HG2 GLN 21 HG2 GLN 21 13.748 8.321 -11.935 164 HG3 GLN 21 HG3 GLN 21 13.491 6.987 -13.060 165 HE21 GLN 21 HE21 GLN 21 15.014 7.320 -14.550 166 HE22 GLN 21 HE22 GLN 21 15.196 8.766 -15.478 167 H GLY 22 H GLY 22 8.619 7.587 -12.288 168 HA2 GLY 22 HA2 GLY 22 8.098 9.447 -10.292 169 HA3 GLY 22 HA3 GLY 22 6.892 8.385 -11.004 170 H LEU 23 H LEU 23 8.324 5.970 -10.068 171 HA LEU 23 HA LEU 23 7.034 5.750 -7.532 172 HB2 LEU 23 HB2 LEU 23 9.002 3.841 -8.777 173 HB3 LEU 23 HB3 LEU 23 7.824 3.482 -7.516 174 HG LEU 23 HG LEU 23 7.326 3.988 -10.439 175 HD11 LEU 23 HD11 LEU 23 7.125 1.678 -8.576 176 HD12 LEU 23 HD12 LEU 23 7.715 1.745 -10.236 177 HD13 LEU 23 HD13 LEU 23 5.982 1.790 -9.914 178 HD21 LEU 23 HD21 LEU 23 4.874 3.533 -9.594 179 HD22 LEU 23 HD22 LEU 23 5.541 5.165 -9.626 180 HD23 LEU 23 HD23 LEU 23 5.492 4.261 -8.112 181 H CYS 24 H CYS 24 9.754 7.321 -8.277 182 HA CYS 24 HA CYS 24 11.047 6.652 -5.714 183 HB2 CYS 24 HB2 CYS 24 12.150 6.610 -8.326 184 HB3 CYS 24 HB3 CYS 24 12.867 7.980 -7.485 185 H ILE 25 H ILE 25 10.671 9.260 -8.113 186 HA ILE 25 HA ILE 25 11.451 11.339 -6.362 187 HB ILE 25 HB ILE 25 9.743 11.477 -8.850 188 HG12 ILE 25 HG12 ILE 25 12.132 12.509 -9.557 189 HG13 ILE 25 HG13 ILE 25 12.662 11.352 -8.341 190 HG21 ILE 25 HG21 ILE 25 11.048 13.616 -7.189 191 HG22 ILE 25 HG22 ILE 25 10.564 13.873 -8.865 192 HG23 ILE 25 HG23 ILE 25 9.352 13.470 -7.649 193 HD11 ILE 25 HD11 ILE 25 10.744 10.246 -10.233 194 HD12 ILE 25 HD12 ILE 25 12.240 10.809 -10.980 195 HD13 ILE 25 HD13 ILE 25 12.296 9.615 -9.683 196 H THR 26 H THR 26 8.256 10.156 -7.375 197 HA THR 26 HA THR 26 6.839 11.997 -5.698 198 HB THR 26 HB THR 26 6.153 10.063 -7.717 199 HG1 THR 26 HG1 THR 26 4.854 12.248 -6.446 200 HG21 THR 26 HG21 THR 26 5.382 8.644 -5.911 201 HG22 THR 26 HG22 THR 26 3.993 9.331 -6.752 202 HG23 THR 26 HG23 THR 26 4.494 9.988 -5.195 203 H SER 27 H SER 27 7.848 8.630 -5.456 204 HA SER 27 HA SER 27 6.379 7.909 -3.186 205 HB2 SER 27 HB2 SER 27 7.913 6.500 -4.805 206 HB3 SER 27 HB3 SER 27 9.144 6.836 -3.589 207 HG SER 27 HG SER 27 6.609 5.812 -2.885 208 H CYS 28 H CYS 28 9.353 9.709 -3.540 209 HA CYS 28 HA CYS 28 10.121 9.582 -0.795 210 HB2 CYS 28 HB2 CYS 28 11.248 10.542 -3.195 211 HB3 CYS 28 HB3 CYS 28 11.133 11.932 -2.120 212 H SER 29 H SER 29 8.427 11.980 -2.781 213 HA SER 29 HA SER 29 8.185 14.009 -0.897 214 HB2 SER 29 HB2 SER 29 7.454 13.831 -3.444 215 HB3 SER 29 HB3 SER 29 5.884 13.471 -2.724 216 HG SER 29 HG SER 29 7.387 15.692 -1.861 217 H MET 30 H MET 30 6.391 11.031 -1.256 218 HA MET 30 HA MET 30 4.272 11.733 0.522 219 HB2 MET 30 HB2 MET 30 5.132 8.912 -0.058 220 HB3 MET 30 HB3 MET 30 3.516 9.523 0.271 221 HG2 MET 30 HG2 MET 30 4.222 10.885 -1.999 222 HG3 MET 30 HG3 MET 30 4.961 9.304 -2.243 223 HE1 MET 30 HE1 MET 30 1.705 11.134 -3.206 224 HE2 MET 30 HE2 MET 30 0.555 10.407 -2.083 225 HE3 MET 30 HE3 MET 30 1.921 11.338 -1.467 226 H GLN 31 H GLN 31 7.513 10.810 0.972 227 HA GLN 31 HA GLN 31 6.992 9.992 3.748 228 HB2 GLN 31 HB2 GLN 31 9.704 9.720 2.563 229 HB3 GLN 31 HB3 GLN 31 8.861 8.670 3.694 230 HG2 GLN 31 HG2 GLN 31 7.358 8.428 1.415 231 HG3 GLN 31 HG3 GLN 31 9.000 8.570 0.789 232 HE21 GLN 31 HE21 GLN 31 10.012 6.723 0.546 233 HE22 GLN 31 HE22 GLN 31 9.751 5.283 1.464 234 H ASN 32 H ASN 32 7.182 12.763 2.488 235 HA ASN 32 HA ASN 32 7.886 14.823 3.150 236 HB2 ASN 32 HB2 ASN 32 7.683 13.415 5.477 237 HB3 ASN 32 HB3 ASN 32 9.372 13.911 5.527 238 HD21 ASN 32 HD21 ASN 32 6.065 15.040 5.326 239 HD22 ASN 32 HD22 ASN 32 6.375 16.639 5.902 240 H CYS 33 H CYS 33 9.472 13.378 1.349 241 HA CYS 33 HA CYS 33 12.217 14.083 2.135 242 HB2 CYS 33 HB2 CYS 33 11.183 12.212 -0.002 243 HB3 CYS 33 HB3 CYS 33 12.881 12.636 0.191 244 H GLY 34 H GLY 34 13.458 14.378 -0.237 245 HA2 GLY 34 HA2 GLY 34 12.138 16.773 -1.343 246 HA3 GLY 34 HA3 GLY 34 13.876 16.522 -1.283 247 H THR 35 H THR 35 14.413 14.241 -2.412 248 HA THR 35 HA THR 35 12.876 13.938 -4.872 249 HB THR 35 HB THR 35 14.649 15.682 -5.292 250 HG1 THR 35 HG1 THR 35 15.491 14.325 -7.187 251 HG21 THR 35 HG21 THR 35 16.651 13.469 -5.367 252 HG22 THR 35 HG22 THR 35 16.317 14.269 -3.831 253 HG23 THR 35 HG23 THR 35 16.901 15.207 -5.206 254 H GLY 36 H GLY 36 14.219 12.219 -6.300 255 HA2 GLY 36 HA2 GLY 36 15.667 10.243 -4.840 256 HA3 GLY 36 HA3 GLY 36 13.986 9.772 -5.041 257 H SER 37 H SER 37 16.846 9.106 -6.231 258 HA SER 37 HA SER 37 15.882 8.887 -9.008 259 HB2 SER 37 HB2 SER 37 18.029 10.342 -8.307 260 HB3 SER 37 HB3 SER 37 18.805 8.768 -8.482 261 HG SER 37 HG SER 37 18.474 10.306 -10.408 262 H CYS 38 H CYS 38 16.193 6.953 -10.084 263 HA CYS 38 HA CYS 38 17.006 4.691 -8.380 264 HB2 CYS 38 HB2 CYS 38 15.461 3.303 -9.581 265 HB3 CYS 38 HB3 CYS 38 14.599 4.759 -9.094 266 H LYS 39 H LYS 39 18.429 3.187 -9.153 267 HA LYS 39 HA LYS 39 19.366 3.390 -11.908 268 HB2 LYS 39 HB2 LYS 39 21.335 3.444 -9.623 269 HB3 LYS 39 HB3 LYS 39 21.667 3.657 -11.337 270 HG2 LYS 39 HG2 LYS 39 20.505 5.782 -11.329 271 HG3 LYS 39 HG3 LYS 39 20.077 5.562 -9.631 272 HD2 LYS 39 HD2 LYS 39 22.285 5.838 -8.917 273 HD3 LYS 39 HD3 LYS 39 22.940 5.525 -10.525 274 HE2 LYS 39 HE2 LYS 39 21.381 7.705 -10.990 275 HE3 LYS 39 HE3 LYS 39 21.930 8.015 -9.343 276 HZ1 LYS 39 HZ1 LYS 39 23.803 8.757 -10.235 277 HZ2 LYS 39 HZ2 LYS 39 23.371 8.225 -11.781 278 HZ3 LYS 39 HZ3 LYS 39 24.160 7.175 -10.716 279 H LYS 40 H LYS 40 20.554 1.544 -12.621 280 HA LYS 40 HA LYS 40 19.633 -0.896 -11.472 281 HB2 LYS 40 HB2 LYS 40 21.091 -0.062 -13.872 282 HB3 LYS 40 HB3 LYS 40 21.614 -1.619 -13.244 283 HG2 LYS 40 HG2 LYS 40 18.762 -0.895 -13.886 284 HG3 LYS 40 HG3 LYS 40 19.844 -1.799 -14.949 285 HD2 LYS 40 HD2 LYS 40 20.120 -3.343 -12.850 286 HD3 LYS 40 HD3 LYS 40 18.581 -2.623 -12.370 287 HE2 LYS 40 HE2 LYS 40 18.213 -4.698 -13.580 288 HE3 LYS 40 HE3 LYS 40 17.597 -3.327 -14.502 289 HZ1 LYS 40 HZ1 LYS 40 20.331 -4.007 -15.102 290 HZ2 LYS 40 HZ2 LYS 40 19.039 -3.698 -16.148 291 HZ3 LYS 40 HZ3 LYS 40 19.231 -5.238 -15.475 292 H ARG 41 H ARG 41 20.464 -1.821 -9.728 293 HA ARG 41 HA ARG 41 23.313 -1.420 -9.127 294 HB2 ARG 41 HB2 ARG 41 21.054 -2.279 -7.310 295 HB3 ARG 41 HB3 ARG 41 22.729 -2.066 -6.819 296 HG2 ARG 41 HG2 ARG 41 20.978 0.117 -7.927 297 HG3 ARG 41 HG3 ARG 41 21.278 -0.167 -6.211 298 HD2 ARG 41 HD2 ARG 41 23.417 0.409 -8.256 299 HD3 ARG 41 HD3 ARG 41 22.700 1.616 -7.190 300 HE ARG 41 HE ARG 41 23.602 -0.352 -5.517 301 HH11 ARG 41 HH11 ARG 41 25.029 1.678 -7.959 302 HH12 ARG 41 HH12 ARG 41 26.590 1.709 -7.207 303 HH21 ARG 41 HH21 ARG 41 25.652 -0.320 -4.518 304 HH22 ARG 41 HH22 ARG 41 26.943 0.571 -5.250 305 H SER 42 H SER 42 24.479 -3.032 -9.971 306 HA SER 42 HA SER 42 25.274 -5.120 -10.399 307 HB2 SER 42 HB2 SER 42 24.434 -5.186 -7.786 308 HB3 SER 42 HB3 SER 42 23.559 -6.547 -8.487 309 HG SER 42 HG SER 42 26.250 -6.235 -8.011 310 H GLY 43 H GLY 43 22.912 -4.136 -11.792 311 HA2 GLY 43 HA2 GLY 43 21.717 -5.054 -13.571 312 HA3 GLY 43 HA3 GLY 43 22.092 -6.659 -12.961 313 H ARG 44 H ARG 44 20.907 -4.662 -10.525 314 HA ARG 44 HA ARG 44 18.206 -5.795 -10.856 315 HB2 ARG 44 HB2 ARG 44 19.709 -5.192 -8.302 316 HB3 ARG 44 HB3 ARG 44 18.045 -5.756 -8.384 317 HG2 ARG 44 HG2 ARG 44 20.325 -7.310 -9.564 318 HG3 ARG 44 HG3 ARG 44 19.821 -7.487 -7.882 319 HD2 ARG 44 HD2 ARG 44 17.559 -7.608 -9.673 320 HD3 ARG 44 HD3 ARG 44 18.777 -8.808 -10.104 321 HE ARG 44 HE ARG 44 18.415 -8.949 -7.352 322 HH11 ARG 44 HH11 ARG 44 16.563 -9.483 -10.251 323 HH12 ARG 44 HH12 ARG 44 15.550 -10.694 -9.536 324 HH21 ARG 44 HH21 ARG 44 17.088 -10.541 -6.400 325 HH22 ARG 44 HH22 ARG 44 15.849 -11.294 -7.346 326 HA PRO 45 HA PRO 45 16.790 -1.612 -11.027 327 HB2 PRO 45 HB2 PRO 45 14.149 -2.113 -10.649 328 HB3 PRO 45 HB3 PRO 45 14.980 -2.444 -12.173 329 HG2 PRO 45 HG2 PRO 45 14.273 -4.324 -9.953 330 HG3 PRO 45 HG3 PRO 45 14.133 -4.559 -11.706 331 HD2 PRO 45 HD2 PRO 45 16.175 -5.591 -10.257 332 HD3 PRO 45 HD3 PRO 45 16.368 -5.070 -11.943 333 H THR 46 H THR 46 17.743 -0.803 -9.118 334 HA THR 46 HA THR 46 16.144 -1.067 -6.664 335 HB THR 46 HB THR 46 18.998 -0.126 -7.009 336 HG1 THR 46 HG1 THR 46 19.011 -2.315 -7.158 337 HG21 THR 46 HG21 THR 46 18.838 -0.526 -4.402 338 HG22 THR 46 HG22 THR 46 17.137 -0.152 -4.681 339 HG23 THR 46 HG23 THR 46 18.381 1.019 -5.118 340 H CYS 47 H CYS 47 15.277 0.688 -5.662 341 HA CYS 47 HA CYS 47 15.433 3.229 -7.130 342 HB2 CYS 47 HB2 CYS 47 13.219 1.821 -6.427 343 HB3 CYS 47 HB3 CYS 47 13.366 2.903 -5.045 344 H VAL 48 H VAL 48 16.614 4.792 -6.269 345 HA VAL 48 HA VAL 48 17.099 4.760 -3.363 346 HB VAL 48 HB VAL 48 18.791 6.297 -5.305 347 HG11 VAL 48 HG11 VAL 48 20.450 5.418 -3.398 348 HG12 VAL 48 HG12 VAL 48 19.517 6.908 -3.247 349 HG13 VAL 48 HG13 VAL 48 18.942 5.425 -2.484 350 HG21 VAL 48 HG21 VAL 48 18.659 3.371 -4.958 351 HG22 VAL 48 HG22 VAL 48 19.229 4.328 -6.326 352 HG23 VAL 48 HG23 VAL 48 20.273 4.081 -4.926 353 H CYS 49 H CYS 49 16.949 6.669 -2.181 354 HA CYS 49 HA CYS 49 15.513 8.857 -3.538 355 HB2 CYS 49 HB2 CYS 49 14.882 7.351 -1.164 356 HB3 CYS 49 HB3 CYS 49 15.078 9.053 -0.759 357 H TYR 50 H TYR 50 15.757 10.999 -2.391 358 HA TYR 50 HA TYR 50 18.222 11.385 -0.927 359 HB2 TYR 50 HB2 TYR 50 17.851 12.555 -3.691 360 HB3 TYR 50 HB3 TYR 50 19.111 13.040 -2.563 361 HD1 TYR 50 HD1 TYR 50 20.972 11.536 -2.054 362 HD2 TYR 50 HD2 TYR 50 17.974 10.450 -4.871 363 HE1 TYR 50 HE1 TYR 50 22.426 9.742 -2.901 364 HE2 TYR 50 HE2 TYR 50 19.419 8.653 -5.725 365 HH TYR 50 HH TYR 50 21.381 7.239 -4.731 366 H ARG 51 H ARG 51 18.563 13.844 -0.581 367 HA ARG 51 HA ARG 51 17.768 15.689 0.497 368 HB2 ARG 51 HB2 ARG 51 15.657 15.539 -1.663 369 HB3 ARG 51 HB3 ARG 51 16.060 16.960 -0.709 370 HG2 ARG 51 HG2 ARG 51 18.484 16.305 -1.755 371 HG3 ARG 51 HG3 ARG 51 17.389 15.824 -3.052 372 HD2 ARG 51 HD2 ARG 51 16.861 17.947 -3.553 373 HD3 ARG 51 HD3 ARG 51 16.758 18.419 -1.857 374 HE ARG 51 HE ARG 51 19.436 18.106 -2.352 375 HH11 ARG 51 HH11 ARG 51 16.858 20.030 -3.684 376 HH12 ARG 51 HH12 ARG 51 17.895 21.341 -4.139 377 HH21 ARG 51 HH21 ARG 51 20.812 19.826 -2.946 378 HH22 ARG 51 HH22 ARG 51 20.144 21.223 -3.719 379 H CYS 52 H CYS 52 16.752 13.059 1.358 380 HA CYS 52 HA CYS 52 14.004 13.329 2.060 381 HB2 CYS 52 HB2 CYS 52 15.697 11.229 1.976 382 HB3 CYS 52 HB3 CYS 52 15.737 11.573 3.702 383 H ALA 53 H ALA 53 13.430 13.047 4.505 384 HA ALA 53 HA ALA 53 14.767 15.243 5.937 385 HB1 ALA 53 HB1 ALA 53 11.951 14.307 5.809 386 HB2 ALA 53 HB2 ALA 53 12.520 15.024 7.317 387 HB3 ALA 53 HB3 ALA 53 12.602 15.946 5.816 388 H ASN 54 H ASN 54 13.789 11.898 6.142 389 HA ASN 54 HA ASN 54 14.606 11.703 8.931 390 HB2 ASN 54 HB2 ASN 54 12.582 10.495 7.793 391 HB3 ASN 54 HB3 ASN 54 13.806 9.348 7.256 392 HD21 ASN 54 HD21 ASN 54 12.458 7.890 8.567 393 HD22 ASN 54 HD22 ASN 54 12.800 7.762 10.255 394 H GLY 55 H GLY 55 16.442 12.187 6.536 395 HA2 GLY 55 HA2 GLY 55 18.676 10.789 7.499 396 HA3 GLY 55 HA3 GLY 55 18.041 9.912 6.114 397 H GLY 56 H GLY 56 17.110 12.383 4.803 398 HA2 GLY 56 HA2 GLY 56 17.899 13.875 3.248 399 HA3 GLY 56 HA3 GLY 56 19.168 14.231 4.411 400 H GLY 57 H GLY 57 18.296 11.563 2.201 401 HA2 GLY 57 HA2 GLY 57 20.334 11.733 0.408 402 HA3 GLY 57 HA3 GLY 57 21.071 10.912 1.775 403 H ASP 58 H ASP 58 21.374 8.942 0.821 404 HA ASP 58 HA ASP 58 19.444 7.604 -0.749 405 HB2 ASP 58 HB2 ASP 58 20.876 5.563 -0.237 406 HB3 ASP 58 HB3 ASP 58 21.699 6.919 -1.004 407 H ILE 59 H ILE 59 17.491 7.118 0.030 408 HA ILE 59 HA ILE 59 17.351 5.490 2.461 409 HB ILE 59 HB ILE 59 15.346 7.680 1.981 410 HG12 ILE 59 HG12 ILE 59 17.725 8.545 2.314 411 HG13 ILE 59 HG13 ILE 59 16.510 9.135 3.442 412 HG21 ILE 59 HG21 ILE 59 15.185 7.290 4.556 413 HG22 ILE 59 HG22 ILE 59 14.400 6.173 3.441 414 HG23 ILE 59 HG23 ILE 59 15.947 5.747 4.172 415 HD11 ILE 59 HD11 ILE 59 18.235 6.780 4.102 416 HD12 ILE 59 HD12 ILE 59 18.779 8.436 4.372 417 HD13 ILE 59 HD13 ILE 59 17.335 7.837 5.189 418 HA PRO 60 HA PRO 60 14.943 3.241 -0.600 419 HB2 PRO 60 HB2 PRO 60 14.816 0.951 0.853 420 HB3 PRO 60 HB3 PRO 60 16.237 1.412 -0.092 421 HG2 PRO 60 HG2 PRO 60 15.737 1.709 2.844 422 HG3 PRO 60 HG3 PRO 60 17.207 1.174 2.008 423 HD2 PRO 60 HD2 PRO 60 16.910 3.689 2.968 424 HD3 PRO 60 HD3 PRO 60 17.860 3.328 1.511 425 H LEU 61 H LEU 61 12.796 2.581 -0.738 426 HA LEU 61 HA LEU 61 10.902 3.869 0.783 427 HB2 LEU 61 HB2 LEU 61 10.899 1.635 -1.125 428 HB3 LEU 61 HB3 LEU 61 9.515 1.682 -0.035 429 HG LEU 61 HG LEU 61 9.148 2.784 -2.245 430 HD11 LEU 61 HD11 LEU 61 8.488 5.069 -0.986 431 HD12 LEU 61 HD12 LEU 61 8.728 4.008 0.402 432 HD13 LEU 61 HD13 LEU 61 7.565 3.573 -0.850 433 HD21 LEU 61 HD21 LEU 61 11.335 3.743 -2.596 434 HD22 LEU 61 HD22 LEU 61 11.163 4.748 -1.157 435 HD23 LEU 61 HD23 LEU 61 10.129 5.029 -2.559 436 H GLY 62 H GLY 62 12.624 0.964 1.510 437 HA2 GLY 62 HA2 GLY 62 10.761 0.036 3.510 438 HA3 GLY 62 HA3 GLY 62 12.359 -0.619 3.185 439 H ALA 63 H ALA 63 13.764 1.876 3.473 440 HA ALA 63 HA ALA 63 14.085 1.853 6.318 441 HB1 ALA 63 HB1 ALA 63 16.015 2.109 4.877 442 HB2 ALA 63 HB2 ALA 63 15.352 3.604 4.214 443 HB3 ALA 63 HB3 ALA 63 15.839 3.530 5.908 444 H LEU 64 H LEU 64 12.320 3.778 4.057 445 HA LEU 64 HA LEU 64 11.979 6.001 5.886 446 HB2 LEU 64 HB2 LEU 64 11.466 5.460 3.074 447 HB3 LEU 64 HB3 LEU 64 10.136 6.314 3.854 448 HG LEU 64 HG LEU 64 12.959 7.307 4.073 449 HD11 LEU 64 HD11 LEU 64 11.860 6.939 1.641 450 HD12 LEU 64 HD12 LEU 64 12.961 8.259 2.034 451 HD13 LEU 64 HD13 LEU 64 11.219 8.533 2.040 452 HD21 LEU 64 HD21 LEU 64 11.930 8.794 5.366 453 HD22 LEU 64 HD22 LEU 64 10.339 8.170 4.927 454 HD23 LEU 64 HD23 LEU 64 11.118 9.390 3.918 455 H ILE 65 H ILE 65 10.815 3.018 5.952 456 HA ILE 65 HA ILE 65 8.008 3.360 6.142 457 HB ILE 65 HB ILE 65 9.804 1.223 7.291 458 HG12 ILE 65 HG12 ILE 65 7.990 1.229 4.868 459 HG13 ILE 65 HG13 ILE 65 9.745 1.363 4.825 460 HG21 ILE 65 HG21 ILE 65 6.799 1.388 7.177 461 HG22 ILE 65 HG22 ILE 65 7.692 -0.098 7.493 462 HG23 ILE 65 HG23 ILE 65 7.815 1.259 8.612 463 HD11 ILE 65 HD11 ILE 65 9.122 -0.880 4.296 464 HD12 ILE 65 HD12 ILE 65 9.880 -0.871 5.889 465 HD13 ILE 65 HD13 ILE 65 8.127 -0.997 5.747 466 H LYS 66 H LYS 66 7.084 4.669 7.574 467 HA LYS 66 HA LYS 66 8.291 5.178 10.153 468 HB2 LYS 66 HB2 LYS 66 5.652 6.161 9.054 469 HB3 LYS 66 HB3 LYS 66 6.500 6.793 10.459 470 HG2 LYS 66 HG2 LYS 66 8.079 7.875 9.194 471 HG3 LYS 66 HG3 LYS 66 7.875 6.790 7.816 472 HD2 LYS 66 HD2 LYS 66 5.651 8.604 8.680 473 HD3 LYS 66 HD3 LYS 66 6.959 9.206 7.659 474 HE2 LYS 66 HE2 LYS 66 6.031 8.288 5.862 475 HE3 LYS 66 HE3 LYS 66 6.022 6.703 6.635 476 HZ1 LYS 66 HZ1 LYS 66 3.842 6.838 6.908 477 HZ2 LYS 66 HZ2 LYS 66 3.835 8.272 6.012 478 HZ3 LYS 66 HZ3 LYS 66 3.963 8.329 7.698 479 H ARG 67 H ARG 67 6.560 2.682 9.031 480 HA ARG 67 HA ARG 67 5.395 0.992 10.014 481 HB2 ARG 67 HB2 ARG 67 7.064 1.932 11.997 482 HB3 ARG 67 HB3 ARG 67 5.481 1.996 12.760 483 HG2 ARG 67 HG2 ARG 67 6.749 -0.424 11.495 484 HG3 ARG 67 HG3 ARG 67 6.570 -0.114 13.223 485 HD2 ARG 67 HD2 ARG 67 4.108 -0.065 12.903 486 HD3 ARG 67 HD3 ARG 67 4.356 -0.519 11.217 487 HE ARG 67 HE ARG 67 5.673 -2.410 12.752 488 HH11 ARG 67 HH11 ARG 67 2.412 -1.276 12.302 489 HH12 ARG 67 HH12 ARG 67 1.689 -2.802 12.687 490 HH21 ARG 67 HH21 ARG 67 4.733 -4.425 13.262 491 HH22 ARG 67 HH22 ARG 67 3.010 -4.593 13.234 492 H GLY 68 H GLY 68 4.272 3.840 9.499 493 HA2 GLY 68 HA2 GLY 68 2.144 4.715 9.458 494 HA3 GLY 68 HA3 GLY 68 1.574 3.193 10.127 Start of MODEL 18 1 H MET 1 H MET 1 -0.011 -0.306 -9.160 2 HA MET 1 HA MET 1 -1.362 -2.000 -10.186 3 HB2 MET 1 HB2 MET 1 -1.929 0.146 -11.896 4 HB3 MET 1 HB3 MET 1 -1.182 -1.073 -12.920 5 HG2 MET 1 HG2 MET 1 -2.929 -2.474 -12.759 6 HG3 MET 1 HG3 MET 1 -3.236 -2.069 -11.072 7 HE1 MET 1 HE1 MET 1 -4.968 -0.419 -14.859 8 HE2 MET 1 HE2 MET 1 -3.554 0.551 -14.443 9 HE3 MET 1 HE3 MET 1 -3.401 -1.196 -14.633 10 H ASP 2 H ASP 2 1.525 -1.372 -9.850 11 HA ASP 2 HA ASP 2 2.562 -3.208 -11.908 12 HB2 ASP 2 HB2 ASP 2 4.227 -1.067 -10.592 13 HB3 ASP 2 HB3 ASP 2 4.604 -2.012 -12.030 14 H ILE 3 H ILE 3 4.775 -4.130 -11.128 15 HA ILE 3 HA ILE 3 4.240 -5.489 -8.644 16 HB ILE 3 HB ILE 3 6.811 -5.761 -10.158 17 HG12 ILE 3 HG12 ILE 3 5.222 -7.715 -11.233 18 HG13 ILE 3 HG13 ILE 3 4.099 -6.363 -11.126 19 HG21 ILE 3 HG21 ILE 3 5.271 -7.292 -8.177 20 HG22 ILE 3 HG22 ILE 3 5.998 -8.247 -9.468 21 HG23 ILE 3 HG23 ILE 3 7.011 -7.218 -8.455 22 HD11 ILE 3 HD11 ILE 3 6.393 -6.776 -12.892 23 HD12 ILE 3 HD12 ILE 3 4.927 -5.823 -13.128 24 HD13 ILE 3 HD13 ILE 3 6.273 -5.158 -12.203 25 H ASP 4 H ASP 4 5.958 -5.742 -6.988 26 HA ASP 4 HA ASP 4 6.957 -3.129 -6.231 27 HB2 ASP 4 HB2 ASP 4 5.808 -4.803 -4.662 28 HB3 ASP 4 HB3 ASP 4 7.332 -5.685 -4.681 29 H PHE 5 H PHE 5 8.117 -5.661 -8.029 30 HA PHE 5 HA PHE 5 10.867 -5.526 -7.127 31 HB2 PHE 5 HB2 PHE 5 9.945 -7.663 -7.917 32 HB3 PHE 5 HB3 PHE 5 9.647 -6.952 -9.500 33 HD1 PHE 5 HD1 PHE 5 12.309 -7.891 -7.112 34 HD2 PHE 5 HD2 PHE 5 11.336 -6.863 -11.126 35 HE1 PHE 5 HE1 PHE 5 14.571 -8.548 -7.825 36 HE2 PHE 5 HE2 PHE 5 13.595 -7.519 -11.846 37 HZ PHE 5 HZ PHE 5 15.216 -8.364 -10.195 38 H SER 6 H SER 6 8.877 -4.247 -9.701 39 HA SER 6 HA SER 6 11.226 -2.967 -10.913 40 HB2 SER 6 HB2 SER 6 9.890 -2.630 -12.885 41 HB3 SER 6 HB3 SER 6 9.673 -4.303 -12.373 42 HG SER 6 HG SER 6 7.764 -2.741 -12.891 43 H THR 7 H THR 7 11.637 -0.935 -10.390 44 HA THR 7 HA THR 7 9.444 0.951 -10.026 45 HB THR 7 HB THR 7 11.076 1.757 -7.984 46 HG1 THR 7 HG1 THR 7 12.222 -0.253 -8.087 47 HG21 THR 7 HG21 THR 7 9.188 0.142 -6.737 48 HG22 THR 7 HG22 THR 7 8.456 0.553 -8.288 49 HG23 THR 7 HG23 THR 7 8.987 1.832 -7.195 50 H CYS 8 H CYS 8 11.924 0.316 -11.772 51 HA CYS 8 HA CYS 8 12.831 3.103 -11.912 52 HB2 CYS 8 HB2 CYS 8 14.493 1.515 -10.733 53 HB3 CYS 8 HB3 CYS 8 14.760 0.833 -12.334 54 H ALA 9 H ALA 9 13.682 3.718 -13.999 55 HA ALA 9 HA ALA 9 12.156 2.641 -16.146 56 HB1 ALA 9 HB1 ALA 9 14.491 4.451 -16.588 57 HB2 ALA 9 HB2 ALA 9 12.931 4.409 -17.411 58 HB3 ALA 9 HB3 ALA 9 13.047 5.055 -15.775 59 H ARG 10 H ARG 10 15.041 1.666 -14.739 60 HA ARG 10 HA ARG 10 16.178 0.577 -17.192 61 HB2 ARG 10 HB2 ARG 10 17.203 0.275 -14.368 62 HB3 ARG 10 HB3 ARG 10 18.085 -0.029 -15.858 63 HG2 ARG 10 HG2 ARG 10 17.087 2.659 -14.938 64 HG3 ARG 10 HG3 ARG 10 18.747 2.075 -14.803 65 HD2 ARG 10 HD2 ARG 10 18.034 1.692 -17.479 66 HD3 ARG 10 HD3 ARG 10 17.402 3.281 -17.048 67 HE ARG 10 HE ARG 10 19.553 4.062 -16.891 68 HH11 ARG 10 HH11 ARG 10 19.590 0.583 -17.000 69 HH12 ARG 10 HH12 ARG 10 21.310 0.477 -17.177 70 HH21 ARG 10 HH21 ARG 10 21.818 3.936 -17.123 71 HH22 ARG 10 HH22 ARG 10 22.577 2.384 -17.246 72 H MET 11 H MET 11 13.603 -0.367 -16.014 73 HA MET 11 HA MET 11 14.281 -3.115 -15.271 74 HB2 MET 11 HB2 MET 11 12.094 -1.307 -14.678 75 HB3 MET 11 HB3 MET 11 11.500 -2.851 -15.272 76 HG2 MET 11 HG2 MET 11 13.577 -2.781 -13.132 77 HG3 MET 11 HG3 MET 11 11.885 -2.490 -12.733 78 HE1 MET 11 HE1 MET 11 14.637 -4.750 -13.379 79 HE2 MET 11 HE2 MET 11 13.978 -6.382 -13.498 80 HE3 MET 11 HE3 MET 11 14.001 -5.334 -14.917 81 H ASP 12 H ASP 12 12.272 -4.608 -16.149 82 HA ASP 12 HA ASP 12 12.854 -4.971 -18.898 83 HB2 ASP 12 HB2 ASP 12 11.766 -6.526 -16.890 84 HB3 ASP 12 HB3 ASP 12 10.402 -6.267 -17.974 85 H VAL 13 H VAL 13 10.608 -3.000 -17.265 86 HA VAL 13 HA VAL 13 9.032 -2.646 -19.730 87 HB VAL 13 HB VAL 13 7.380 -1.489 -18.147 88 HG11 VAL 13 HG11 VAL 13 6.331 -3.607 -17.542 89 HG12 VAL 13 HG12 VAL 13 6.980 -3.670 -19.182 90 HG13 VAL 13 HG13 VAL 13 7.843 -4.456 -17.859 91 HG21 VAL 13 HG21 VAL 13 7.468 -2.252 -15.809 92 HG22 VAL 13 HG22 VAL 13 9.036 -2.996 -16.123 93 HG23 VAL 13 HG23 VAL 13 8.852 -1.245 -16.232 94 HA PRO 14 HA PRO 14 11.583 1.190 -19.285 95 HB2 PRO 14 HB2 PRO 14 12.091 1.425 -21.942 96 HB3 PRO 14 HB3 PRO 14 13.076 0.434 -20.859 97 HG2 PRO 14 HG2 PRO 14 10.889 -0.399 -22.725 98 HG3 PRO 14 HG3 PRO 14 12.458 -1.169 -22.427 99 HD2 PRO 14 HD2 PRO 14 10.159 -2.072 -21.318 100 HD3 PRO 14 HD3 PRO 14 11.728 -2.198 -20.498 101 H ILE 15 H ILE 15 8.671 0.282 -20.755 102 HA ILE 15 HA ILE 15 7.903 2.444 -22.281 103 HB ILE 15 HB ILE 15 6.098 0.984 -20.351 104 HG12 ILE 15 HG12 ILE 15 5.773 -0.096 -22.900 105 HG13 ILE 15 HG13 ILE 15 7.516 0.069 -22.720 106 HG21 ILE 15 HG21 ILE 15 5.011 1.754 -22.929 107 HG22 ILE 15 HG22 ILE 15 4.381 2.035 -21.307 108 HG23 ILE 15 HG23 ILE 15 5.572 3.140 -21.994 109 HD11 ILE 15 HD11 ILE 15 6.426 -1.031 -20.325 110 HD12 ILE 15 HD12 ILE 15 5.853 -1.954 -21.716 111 HD13 ILE 15 HD13 ILE 15 7.583 -1.736 -21.453 112 H LEU 16 H LEU 16 8.054 4.529 -21.790 113 HA LEU 16 HA LEU 16 7.818 6.517 -20.713 114 HB2 LEU 16 HB2 LEU 16 6.024 5.089 -18.768 115 HB3 LEU 16 HB3 LEU 16 6.032 6.803 -19.176 116 HG LEU 16 HG LEU 16 5.507 5.203 -21.517 117 HD11 LEU 16 HD11 LEU 16 3.430 4.211 -20.915 118 HD12 LEU 16 HD12 LEU 16 3.501 4.898 -19.292 119 HD13 LEU 16 HD13 LEU 16 4.639 3.637 -19.766 120 HD21 LEU 16 HD21 LEU 16 3.295 6.637 -21.157 121 HD22 LEU 16 HD22 LEU 16 4.797 7.348 -21.748 122 HD23 LEU 16 HD23 LEU 16 4.355 7.504 -20.047 123 H LYS 17 H LYS 17 10.064 6.243 -20.094 124 HA LYS 17 HA LYS 17 10.955 5.080 -17.727 125 HB2 LYS 17 HB2 LYS 17 12.109 7.560 -19.009 126 HB3 LYS 17 HB3 LYS 17 12.951 6.409 -17.981 127 HG2 LYS 17 HG2 LYS 17 11.955 4.859 -20.047 128 HG3 LYS 17 HG3 LYS 17 12.482 6.349 -20.834 129 HD2 LYS 17 HD2 LYS 17 14.690 6.103 -20.050 130 HD3 LYS 17 HD3 LYS 17 14.219 4.878 -18.869 131 HE2 LYS 17 HE2 LYS 17 14.528 3.248 -20.351 132 HE3 LYS 17 HE3 LYS 17 13.484 4.050 -21.524 133 HZ1 LYS 17 HZ1 LYS 17 15.621 5.534 -21.810 134 HZ2 LYS 17 HZ2 LYS 17 15.434 4.082 -22.656 135 HZ3 LYS 17 HZ3 LYS 17 16.394 4.131 -21.264 136 H LYS 18 H LYS 18 9.656 8.301 -18.336 137 HA LYS 18 HA LYS 18 10.246 9.518 -15.908 138 HB2 LYS 18 HB2 LYS 18 8.993 10.335 -18.131 139 HB3 LYS 18 HB3 LYS 18 7.585 10.068 -17.112 140 HG2 LYS 18 HG2 LYS 18 8.046 11.828 -15.779 141 HG3 LYS 18 HG3 LYS 18 9.792 11.601 -15.898 142 HD2 LYS 18 HD2 LYS 18 9.006 12.308 -18.469 143 HD3 LYS 18 HD3 LYS 18 8.043 13.345 -17.413 144 HE2 LYS 18 HE2 LYS 18 10.145 13.973 -16.231 145 HE3 LYS 18 HE3 LYS 18 11.045 13.054 -17.437 146 HZ1 LYS 18 HZ1 LYS 18 10.967 14.778 -18.800 147 HZ2 LYS 18 HZ2 LYS 18 10.200 15.692 -17.602 148 HZ3 LYS 18 HZ3 LYS 18 9.277 14.830 -18.727 149 H ALA 19 H ALA 19 7.642 7.312 -16.762 150 HA ALA 19 HA ALA 19 6.103 7.611 -14.420 151 HB1 ALA 19 HB1 ALA 19 5.095 5.459 -15.041 152 HB2 ALA 19 HB2 ALA 19 5.203 6.562 -16.413 153 HB3 ALA 19 HB3 ALA 19 6.352 5.233 -16.258 154 H ALA 20 H ALA 20 8.712 5.359 -15.259 155 HA ALA 20 HA ALA 20 8.627 3.809 -12.923 156 HB1 ALA 20 HB1 ALA 20 9.976 3.573 -15.194 157 HB2 ALA 20 HB2 ALA 20 11.252 4.298 -14.215 158 HB3 ALA 20 HB3 ALA 20 10.502 2.785 -13.706 159 H GLN 21 H GLN 21 10.536 6.699 -13.715 160 HA GLN 21 HA GLN 21 11.960 6.816 -11.289 161 HB2 GLN 21 HB2 GLN 21 11.541 8.539 -13.612 162 HB3 GLN 21 HB3 GLN 21 11.755 9.442 -12.118 163 HG2 GLN 21 HG2 GLN 21 13.892 8.562 -11.757 164 HG3 GLN 21 HG3 GLN 21 13.647 7.264 -12.925 165 HE21 GLN 21 HE21 GLN 21 14.715 7.530 -14.736 166 HE22 GLN 21 HE22 GLN 21 15.117 9.038 -15.477 167 H GLY 22 H GLY 22 8.769 7.898 -12.203 168 HA2 GLY 22 HA2 GLY 22 8.234 9.760 -10.212 169 HA3 GLY 22 HA3 GLY 22 7.029 8.715 -10.949 170 H LEU 23 H LEU 23 8.420 6.282 -9.994 171 HA LEU 23 HA LEU 23 7.082 6.070 -7.481 172 HB2 LEU 23 HB2 LEU 23 9.047 4.135 -8.691 173 HB3 LEU 23 HB3 LEU 23 7.831 3.792 -7.462 174 HG LEU 23 HG LEU 23 7.413 4.323 -10.394 175 HD11 LEU 23 HD11 LEU 23 7.801 2.071 -10.168 176 HD12 LEU 23 HD12 LEU 23 6.051 2.136 -9.961 177 HD13 LEU 23 HD13 LEU 23 7.101 2.000 -8.551 178 HD21 LEU 23 HD21 LEU 23 5.527 4.594 -8.108 179 HD22 LEU 23 HD22 LEU 23 4.936 3.884 -9.610 180 HD23 LEU 23 HD23 LEU 23 5.621 5.510 -9.612 181 H CYS 24 H CYS 24 9.829 7.613 -8.172 182 HA CYS 24 HA CYS 24 11.075 6.913 -5.594 183 HB2 CYS 24 HB2 CYS 24 12.217 6.888 -8.194 184 HB3 CYS 24 HB3 CYS 24 12.943 8.230 -7.315 185 H ILE 25 H ILE 25 10.770 9.540 -7.982 186 HA ILE 25 HA ILE 25 11.543 11.599 -6.206 187 HB ILE 25 HB ILE 25 9.869 11.779 -8.714 188 HG12 ILE 25 HG12 ILE 25 12.303 12.779 -9.361 189 HG13 ILE 25 HG13 ILE 25 12.772 11.560 -8.181 190 HG21 ILE 25 HG21 ILE 25 9.526 13.759 -7.433 191 HG22 ILE 25 HG22 ILE 25 11.247 13.898 -7.079 192 HG23 ILE 25 HG23 ILE 25 10.661 14.154 -8.723 193 HD11 ILE 25 HD11 ILE 25 10.847 10.548 -10.093 194 HD12 ILE 25 HD12 ILE 25 12.316 11.152 -10.862 195 HD13 ILE 25 HD13 ILE 25 12.420 9.908 -9.617 196 H THR 26 H THR 26 8.352 10.459 -7.275 197 HA THR 26 HA THR 26 6.931 12.305 -5.604 198 HB THR 26 HB THR 26 6.253 10.398 -7.652 199 HG1 THR 26 HG1 THR 26 5.712 12.804 -7.131 200 HG21 THR 26 HG21 THR 26 5.435 8.974 -5.870 201 HG22 THR 26 HG22 THR 26 4.069 9.685 -6.730 202 HG23 THR 26 HG23 THR 26 4.551 10.324 -5.159 203 H SER 27 H SER 27 7.898 8.925 -5.377 204 HA SER 27 HA SER 27 6.383 8.201 -3.138 205 HB2 SER 27 HB2 SER 27 7.917 6.783 -4.745 206 HB3 SER 27 HB3 SER 27 9.141 7.098 -3.516 207 HG SER 27 HG SER 27 6.713 5.688 -3.286 208 H CYS 28 H CYS 28 9.357 9.998 -3.432 209 HA CYS 28 HA CYS 28 10.103 9.823 -0.681 210 HB2 CYS 28 HB2 CYS 28 11.258 10.811 -3.053 211 HB3 CYS 28 HB3 CYS 28 11.133 12.188 -1.964 212 H SER 29 H SER 29 8.400 12.226 -2.646 213 HA SER 29 HA SER 29 8.159 14.251 -0.758 214 HB2 SER 29 HB2 SER 29 7.412 14.076 -3.297 215 HB3 SER 29 HB3 SER 29 5.850 13.696 -2.571 216 HG SER 29 HG SER 29 7.416 15.993 -1.990 217 H MET 30 H MET 30 6.391 11.257 -1.098 218 HA MET 30 HA MET 30 4.270 11.938 0.681 219 HB2 MET 30 HB2 MET 30 5.184 9.130 0.118 220 HB3 MET 30 HB3 MET 30 3.558 9.705 0.464 221 HG2 MET 30 HG2 MET 30 4.226 11.069 -1.826 222 HG3 MET 30 HG3 MET 30 4.965 9.488 -2.066 223 HE1 MET 30 HE1 MET 30 4.064 7.485 -2.120 224 HE2 MET 30 HE2 MET 30 2.554 7.064 -1.312 225 HE3 MET 30 HE3 MET 30 2.598 7.233 -3.067 226 H GLN 31 H GLN 31 7.527 11.074 1.134 227 HA GLN 31 HA GLN 31 7.022 10.287 3.923 228 HB2 GLN 31 HB2 GLN 31 9.728 10.018 2.716 229 HB3 GLN 31 HB3 GLN 31 8.915 8.991 3.889 230 HG2 GLN 31 HG2 GLN 31 7.365 8.618 1.692 231 HG3 GLN 31 HG3 GLN 31 8.953 8.855 0.965 232 HE21 GLN 31 HE21 GLN 31 7.278 7.027 3.484 233 HE22 GLN 31 HE22 GLN 31 8.245 5.603 3.342 234 H ASN 32 H ASN 32 7.187 13.040 2.617 235 HA ASN 32 HA ASN 32 7.881 15.116 3.238 236 HB2 ASN 32 HB2 ASN 32 9.205 13.909 5.657 237 HB3 ASN 32 HB3 ASN 32 8.485 15.506 5.483 238 HD21 ASN 32 HD21 ASN 32 6.065 14.924 4.379 239 HD22 ASN 32 HD22 ASN 32 5.120 13.997 5.490 240 H CYS 33 H CYS 33 9.484 13.634 1.474 241 HA CYS 33 HA CYS 33 12.222 14.369 2.256 242 HB2 CYS 33 HB2 CYS 33 11.186 12.446 0.168 243 HB3 CYS 33 HB3 CYS 33 12.881 12.901 0.308 244 H GLY 34 H GLY 34 13.486 14.658 -0.089 245 HA2 GLY 34 HA2 GLY 34 12.155 17.021 -1.245 246 HA3 GLY 34 HA3 GLY 34 13.894 16.780 -1.172 247 H THR 35 H THR 35 14.438 14.474 -2.261 248 HA THR 35 HA THR 35 12.921 14.140 -4.730 249 HB THR 35 HB THR 35 14.705 15.875 -5.156 250 HG1 THR 35 HG1 THR 35 14.466 15.095 -7.100 251 HG21 THR 35 HG21 THR 35 16.360 14.494 -3.666 252 HG22 THR 35 HG22 THR 35 16.958 15.380 -5.068 253 HG23 THR 35 HG23 THR 35 16.688 13.640 -5.173 254 H GLY 36 H GLY 36 14.265 12.396 -6.121 255 HA2 GLY 36 HA2 GLY 36 15.697 10.438 -4.620 256 HA3 GLY 36 HA3 GLY 36 14.017 9.969 -4.833 257 H SER 37 H SER 37 16.885 9.273 -5.981 258 HA SER 37 HA SER 37 15.956 9.032 -8.769 259 HB2 SER 37 HB2 SER 37 18.123 10.456 -8.032 260 HB3 SER 37 HB3 SER 37 18.867 8.868 -8.219 261 HG SER 37 HG SER 37 17.275 10.166 -10.179 262 H CYS 38 H CYS 38 16.262 7.084 -9.822 263 HA CYS 38 HA CYS 38 17.016 4.828 -8.083 264 HB2 CYS 38 HB2 CYS 38 15.464 3.453 -9.271 265 HB3 CYS 38 HB3 CYS 38 14.618 4.939 -8.853 266 H LYS 39 H LYS 39 18.419 3.286 -8.825 267 HA LYS 39 HA LYS 39 19.411 3.461 -11.563 268 HB2 LYS 39 HB2 LYS 39 21.335 3.486 -9.240 269 HB3 LYS 39 HB3 LYS 39 21.707 3.682 -10.948 270 HG2 LYS 39 HG2 LYS 39 20.596 5.831 -10.978 271 HG3 LYS 39 HG3 LYS 39 20.117 5.630 -9.291 272 HD2 LYS 39 HD2 LYS 39 22.302 5.877 -8.516 273 HD3 LYS 39 HD3 LYS 39 23.003 5.516 -10.095 274 HE2 LYS 39 HE2 LYS 39 21.502 7.730 -10.636 275 HE3 LYS 39 HE3 LYS 39 22.040 8.054 -8.988 276 HZ1 LYS 39 HZ1 LYS 39 24.051 7.103 -10.874 277 HZ2 LYS 39 HZ2 LYS 39 24.188 8.236 -9.625 278 HZ3 LYS 39 HZ3 LYS 39 23.484 8.682 -11.097 279 H LYS 40 H LYS 40 20.535 1.585 -12.265 280 HA LYS 40 HA LYS 40 19.571 -0.827 -11.086 281 HB2 LYS 40 HB2 LYS 40 21.020 -0.045 -13.514 282 HB3 LYS 40 HB3 LYS 40 21.491 -1.619 -12.886 283 HG2 LYS 40 HG2 LYS 40 18.666 -0.785 -13.511 284 HG3 LYS 40 HG3 LYS 40 19.700 -1.755 -14.562 285 HD2 LYS 40 HD2 LYS 40 19.918 -3.258 -12.415 286 HD3 LYS 40 HD3 LYS 40 18.396 -2.478 -11.978 287 HE2 LYS 40 HE2 LYS 40 17.639 -4.326 -13.117 288 HE3 LYS 40 HE3 LYS 40 17.703 -3.132 -14.412 289 HZ1 LYS 40 HZ1 LYS 40 20.173 -4.171 -14.500 290 HZ2 LYS 40 HZ2 LYS 40 18.883 -4.702 -15.457 291 HZ3 LYS 40 HZ3 LYS 40 19.274 -5.527 -14.033 292 H ARG 41 H ARG 41 20.404 -1.694 -9.310 293 HA ARG 41 HA ARG 41 23.270 -1.359 -8.766 294 HB2 ARG 41 HB2 ARG 41 21.010 -2.177 -6.932 295 HB3 ARG 41 HB3 ARG 41 22.694 -2.027 -6.451 296 HG2 ARG 41 HG2 ARG 41 21.007 0.224 -7.522 297 HG3 ARG 41 HG3 ARG 41 21.321 -0.084 -5.813 298 HD2 ARG 41 HD2 ARG 41 23.452 0.433 -7.883 299 HD3 ARG 41 HD3 ARG 41 22.788 1.659 -6.804 300 HE ARG 41 HE ARG 41 23.673 -0.430 -5.209 301 HH11 ARG 41 HH11 ARG 41 25.026 1.881 -7.434 302 HH12 ARG 41 HH12 ARG 41 26.568 1.932 -6.647 303 HH21 ARG 41 HH21 ARG 41 25.700 -0.371 -4.163 304 HH22 ARG 41 HH22 ARG 41 26.951 0.651 -4.787 305 H SER 42 H SER 42 24.413 -2.980 -9.621 306 HA SER 42 HA SER 42 25.178 -5.074 -10.072 307 HB2 SER 42 HB2 SER 42 24.415 -5.130 -7.443 308 HB3 SER 42 HB3 SER 42 23.482 -6.469 -8.111 309 HG SER 42 HG SER 42 25.555 -7.159 -9.057 310 H GLY 43 H GLY 43 22.786 -4.073 -11.409 311 HA2 GLY 43 HA2 GLY 43 21.555 -4.990 -13.165 312 HA3 GLY 43 HA3 GLY 43 21.922 -6.596 -12.552 313 H ARG 44 H ARG 44 20.807 -4.568 -10.107 314 HA ARG 44 HA ARG 44 18.090 -5.678 -10.374 315 HB2 ARG 44 HB2 ARG 44 19.641 -5.042 -7.857 316 HB3 ARG 44 HB3 ARG 44 17.974 -5.601 -7.902 317 HG2 ARG 44 HG2 ARG 44 20.140 -7.213 -9.182 318 HG3 ARG 44 HG3 ARG 44 19.869 -7.291 -7.440 319 HD2 ARG 44 HD2 ARG 44 18.104 -8.617 -7.713 320 HD3 ARG 44 HD3 ARG 44 17.375 -7.493 -8.859 321 HE ARG 44 HE ARG 44 19.278 -8.765 -10.321 322 HH11 ARG 44 HH11 ARG 44 16.623 -9.835 -8.340 323 HH12 ARG 44 HH12 ARG 44 16.348 -11.278 -9.259 324 HH21 ARG 44 HH21 ARG 44 18.926 -10.660 -11.539 325 HH22 ARG 44 HH22 ARG 44 17.659 -11.746 -11.078 326 HA PRO 45 HA PRO 45 16.700 -1.489 -10.589 327 HB2 PRO 45 HB2 PRO 45 14.063 -1.963 -10.151 328 HB3 PRO 45 HB3 PRO 45 14.863 -2.326 -11.685 329 HG2 PRO 45 HG2 PRO 45 14.185 -4.164 -9.421 330 HG3 PRO 45 HG3 PRO 45 14.010 -4.426 -11.166 331 HD2 PRO 45 HD2 PRO 45 16.071 -5.449 -9.739 332 HD3 PRO 45 HD3 PRO 45 16.236 -4.958 -11.437 333 H THR 46 H THR 46 17.700 -0.662 -8.709 334 HA THR 46 HA THR 46 16.135 -0.861 -6.227 335 HB THR 46 HB THR 46 19.002 0.015 -6.627 336 HG1 THR 46 HG1 THR 46 17.961 -2.284 -5.302 337 HG21 THR 46 HG21 THR 46 17.168 0.102 -4.288 338 HG22 THR 46 HG22 THR 46 18.472 1.199 -4.744 339 HG23 THR 46 HG23 THR 46 18.846 -0.357 -4.003 340 H CYS 47 H CYS 47 15.168 0.885 -5.373 341 HA CYS 47 HA CYS 47 15.429 3.418 -6.829 342 HB2 CYS 47 HB2 CYS 47 13.184 2.050 -6.143 343 HB3 CYS 47 HB3 CYS 47 13.324 3.150 -4.776 344 H VAL 48 H VAL 48 16.625 4.969 -5.967 345 HA VAL 48 HA VAL 48 17.065 4.964 -3.055 346 HB VAL 48 HB VAL 48 18.795 6.468 -4.990 347 HG11 VAL 48 HG11 VAL 48 20.415 5.578 -3.044 348 HG12 VAL 48 HG12 VAL 48 19.517 7.095 -2.940 349 HG13 VAL 48 HG13 VAL 48 18.892 5.643 -2.157 350 HG21 VAL 48 HG21 VAL 48 19.212 4.479 -5.984 351 HG22 VAL 48 HG22 VAL 48 20.259 4.254 -4.583 352 HG23 VAL 48 HG23 VAL 48 18.645 3.544 -4.600 353 H CYS 49 H CYS 49 16.921 6.886 -1.891 354 HA CYS 49 HA CYS 49 15.516 9.072 -3.282 355 HB2 CYS 49 HB2 CYS 49 14.862 7.600 -0.890 356 HB3 CYS 49 HB3 CYS 49 15.056 9.309 -0.515 357 H TYR 50 H TYR 50 15.782 11.228 -2.197 358 HA TYR 50 HA TYR 50 18.228 11.613 -0.698 359 HB2 TYR 50 HB2 TYR 50 17.907 12.738 -3.487 360 HB3 TYR 50 HB3 TYR 50 19.160 13.225 -2.351 361 HD1 TYR 50 HD1 TYR 50 21.002 11.719 -1.808 362 HD2 TYR 50 HD2 TYR 50 18.008 10.600 -4.616 363 HE1 TYR 50 HE1 TYR 50 22.442 9.892 -2.607 364 HE2 TYR 50 HE2 TYR 50 19.439 8.769 -5.422 365 HH TYR 50 HH TYR 50 22.699 8.544 -4.729 366 H ARG 51 H ARG 51 18.595 14.082 -0.409 367 HA ARG 51 HA ARG 51 17.809 15.960 0.618 368 HB2 ARG 51 HB2 ARG 51 15.714 15.762 -1.553 369 HB3 ARG 51 HB3 ARG 51 16.096 17.203 -0.621 370 HG2 ARG 51 HG2 ARG 51 18.537 16.542 -1.626 371 HG3 ARG 51 HG3 ARG 51 17.459 16.035 -2.928 372 HD2 ARG 51 HD2 ARG 51 16.901 18.148 -3.456 373 HD3 ARG 51 HD3 ARG 51 16.827 18.653 -1.769 374 HE ARG 51 HE ARG 51 19.024 18.973 -3.555 375 HH11 ARG 51 HH11 ARG 51 18.185 18.453 -0.217 376 HH12 ARG 51 HH12 ARG 51 19.637 19.175 0.396 377 HH21 ARG 51 HH21 ARG 51 20.939 19.926 -2.761 378 HH22 ARG 51 HH22 ARG 51 21.202 20.013 -1.052 379 H CYS 52 H CYS 52 16.786 13.368 1.557 380 HA CYS 52 HA CYS 52 14.033 13.668 2.241 381 HB2 CYS 52 HB2 CYS 52 15.717 11.558 2.215 382 HB3 CYS 52 HB3 CYS 52 15.751 11.945 3.932 383 H ALA 53 H ALA 53 13.459 13.447 4.695 384 HA ALA 53 HA ALA 53 14.796 15.680 6.066 385 HB1 ALA 53 HB1 ALA 53 12.523 15.401 7.460 386 HB2 ALA 53 HB2 ALA 53 12.656 16.406 6.016 387 HB3 ALA 53 HB3 ALA 53 11.989 14.777 5.899 388 H ASN 54 H ASN 54 13.845 12.335 6.357 389 HA ASN 54 HA ASN 54 14.675 12.217 9.148 390 HB2 ASN 54 HB2 ASN 54 12.803 10.803 7.612 391 HB3 ASN 54 HB3 ASN 54 14.084 9.646 7.960 392 HD21 ASN 54 HD21 ASN 54 14.516 9.081 10.095 393 HD22 ASN 54 HD22 ASN 54 13.388 9.390 11.367 394 H GLY 55 H GLY 55 16.491 12.640 6.725 395 HA2 GLY 55 HA2 GLY 55 18.735 11.271 7.710 396 HA3 GLY 55 HA3 GLY 55 18.093 10.362 6.349 397 H GLY 56 H GLY 56 17.152 12.785 4.974 398 HA2 GLY 56 HA2 GLY 56 17.929 14.249 3.388 399 HA3 GLY 56 HA3 GLY 56 19.207 14.631 4.532 400 H GLY 57 H GLY 57 18.316 11.912 2.392 401 HA2 GLY 57 HA2 GLY 57 20.320 12.031 0.567 402 HA3 GLY 57 HA3 GLY 57 21.095 11.272 1.949 403 H ASP 58 H ASP 58 21.410 9.277 1.039 404 HA ASP 58 HA ASP 58 19.488 7.853 -0.447 405 HB2 ASP 58 HB2 ASP 58 20.934 5.846 0.150 406 HB3 ASP 58 HB3 ASP 58 21.751 7.176 -0.667 407 H ILE 59 H ILE 59 17.518 7.525 0.415 408 HA ILE 59 HA ILE 59 17.387 5.932 2.875 409 HB ILE 59 HB ILE 59 15.432 8.161 2.347 410 HG12 ILE 59 HG12 ILE 59 17.865 8.915 2.708 411 HG13 ILE 59 HG13 ILE 59 16.634 9.614 3.754 412 HG21 ILE 59 HG21 ILE 59 14.444 6.661 3.808 413 HG22 ILE 59 HG22 ILE 59 15.970 6.269 4.599 414 HG23 ILE 59 HG23 ILE 59 15.192 7.822 4.904 415 HD11 ILE 59 HD11 ILE 59 17.960 7.172 4.738 416 HD12 ILE 59 HD12 ILE 59 18.941 8.636 4.659 417 HD13 ILE 59 HD13 ILE 59 17.452 8.621 5.603 418 HA PRO 60 HA PRO 60 14.909 3.643 -0.103 419 HB2 PRO 60 HB2 PRO 60 14.785 1.386 1.399 420 HB3 PRO 60 HB3 PRO 60 16.193 1.811 0.420 421 HG2 PRO 60 HG2 PRO 60 15.749 2.175 3.358 422 HG3 PRO 60 HG3 PRO 60 17.197 1.607 2.507 423 HD2 PRO 60 HD2 PRO 60 16.944 4.144 3.419 424 HD3 PRO 60 HD3 PRO 60 17.863 3.743 1.954 425 H LEU 61 H LEU 61 12.752 3.025 -0.196 426 HA LEU 61 HA LEU 61 10.911 4.354 1.369 427 HB2 LEU 61 HB2 LEU 61 10.600 1.814 -0.218 428 HB3 LEU 61 HB3 LEU 61 9.248 2.699 0.486 429 HG LEU 61 HG LEU 61 11.078 3.588 -1.734 430 HD11 LEU 61 HD11 LEU 61 8.469 3.949 -2.492 431 HD12 LEU 61 HD12 LEU 61 8.397 2.459 -1.551 432 HD13 LEU 61 HD13 LEU 61 9.489 2.578 -2.931 433 HD21 LEU 61 HD21 LEU 61 9.178 5.154 -0.027 434 HD22 LEU 61 HD22 LEU 61 9.495 5.620 -1.698 435 HD23 LEU 61 HD23 LEU 61 10.817 5.563 -0.532 436 H GLY 62 H GLY 62 12.624 1.454 2.066 437 HA2 GLY 62 HA2 GLY 62 10.763 0.491 4.052 438 HA3 GLY 62 HA3 GLY 62 12.367 -0.148 3.725 439 H ALA 63 H ALA 63 13.704 2.412 4.027 440 HA ALA 63 HA ALA 63 13.986 2.366 6.894 441 HB1 ALA 63 HB1 ALA 63 15.790 4.006 6.504 442 HB2 ALA 63 HB2 ALA 63 15.971 2.545 5.532 443 HB3 ALA 63 HB3 ALA 63 15.368 4.027 4.791 444 H LEU 64 H LEU 64 12.296 4.266 4.573 445 HA LEU 64 HA LEU 64 12.009 6.570 6.299 446 HB2 LEU 64 HB2 LEU 64 11.409 5.885 3.532 447 HB3 LEU 64 HB3 LEU 64 10.129 6.820 4.301 448 HG LEU 64 HG LEU 64 12.972 7.756 4.424 449 HD11 LEU 64 HD11 LEU 64 11.244 8.816 2.277 450 HD12 LEU 64 HD12 LEU 64 11.934 7.214 2.019 451 HD13 LEU 64 HD13 LEU 64 12.993 8.591 2.325 452 HD21 LEU 64 HD21 LEU 64 10.382 8.730 5.212 453 HD22 LEU 64 HD22 LEU 64 11.147 9.847 4.082 454 HD23 LEU 64 HD23 LEU 64 11.982 9.384 5.565 455 H ILE 65 H ILE 65 10.806 3.616 6.554 456 HA ILE 65 HA ILE 65 8.009 4.237 6.958 457 HB ILE 65 HB ILE 65 9.443 1.700 7.734 458 HG12 ILE 65 HG12 ILE 65 8.183 2.479 5.098 459 HG13 ILE 65 HG13 ILE 65 9.874 2.082 5.386 460 HG21 ILE 65 HG21 ILE 65 7.445 0.905 8.311 461 HG22 ILE 65 HG22 ILE 65 6.858 2.565 8.216 462 HG23 ILE 65 HG23 ILE 65 6.701 1.494 6.824 463 HD11 ILE 65 HD11 ILE 65 9.176 -0.214 5.990 464 HD12 ILE 65 HD12 ILE 65 7.525 0.213 5.540 465 HD13 ILE 65 HD13 ILE 65 8.802 0.228 4.324 466 H LYS 66 H LYS 66 6.977 4.537 8.868 467 HA LYS 66 HA LYS 66 8.600 5.203 11.157 468 HB2 LYS 66 HB2 LYS 66 5.589 5.143 11.067 469 HB3 LYS 66 HB3 LYS 66 6.626 6.107 12.112 470 HG2 LYS 66 HG2 LYS 66 6.412 6.443 9.127 471 HG3 LYS 66 HG3 LYS 66 5.548 7.416 10.320 472 HD2 LYS 66 HD2 LYS 66 7.309 8.762 10.473 473 HD3 LYS 66 HD3 LYS 66 8.281 7.408 11.055 474 HE2 LYS 66 HE2 LYS 66 8.708 6.780 8.687 475 HE3 LYS 66 HE3 LYS 66 7.859 8.242 8.188 476 HZ1 LYS 66 HZ1 LYS 66 9.543 9.420 9.700 477 HZ2 LYS 66 HZ2 LYS 66 10.069 8.874 8.188 478 HZ3 LYS 66 HZ3 LYS 66 10.445 7.994 9.583 479 H ARG 67 H ARG 67 7.591 2.343 10.013 480 HA ARG 67 HA ARG 67 7.371 0.258 10.894 481 HB2 ARG 67 HB2 ARG 67 8.861 1.763 12.920 482 HB3 ARG 67 HB3 ARG 67 7.979 0.389 13.573 483 HG2 ARG 67 HG2 ARG 67 10.297 -0.153 12.947 484 HG3 ARG 67 HG3 ARG 67 9.104 -1.113 12.070 485 HD2 ARG 67 HD2 ARG 67 9.322 0.398 10.147 486 HD3 ARG 67 HD3 ARG 67 10.536 1.327 11.025 487 HE ARG 67 HE ARG 67 12.080 -0.253 10.457 488 HH11 ARG 67 HH11 ARG 67 8.900 -1.628 10.118 489 HH12 ARG 67 HH12 ARG 67 9.472 -3.107 9.421 490 HH21 ARG 67 HH21 ARG 67 12.845 -2.196 9.541 491 HH22 ARG 67 HH22 ARG 67 11.716 -3.430 9.094 492 H GLY 68 H GLY 68 5.279 2.503 11.257 493 HA2 GLY 68 HA2 GLY 68 3.094 2.547 11.970 494 HA3 GLY 68 HA3 GLY 68 3.284 0.862 12.432 Start of MODEL 19 1 H MET 1 H MET 1 -1.686 1.527 -2.887 2 HA MET 1 HA MET 1 0.505 0.410 -1.580 3 HB2 MET 1 HB2 MET 1 -2.408 -0.384 -1.426 4 HB3 MET 1 HB3 MET 1 -1.170 -0.889 -0.284 5 HG2 MET 1 HG2 MET 1 -1.343 0.997 0.861 6 HG3 MET 1 HG3 MET 1 -1.180 1.974 -0.596 7 HE1 MET 1 HE1 MET 1 -3.405 3.797 0.866 8 HE2 MET 1 HE2 MET 1 -2.442 3.669 -0.606 9 HE3 MET 1 HE3 MET 1 -4.201 3.757 -0.708 10 H ASP 2 H ASP 2 1.773 -0.786 -3.001 11 HA ASP 2 HA ASP 2 1.285 -3.536 -3.131 12 HB2 ASP 2 HB2 ASP 2 -0.133 -2.175 -5.109 13 HB3 ASP 2 HB3 ASP 2 1.288 -2.799 -5.942 14 H ILE 3 H ILE 3 3.015 -4.712 -4.113 15 HA ILE 3 HA ILE 3 5.434 -3.076 -4.418 16 HB ILE 3 HB ILE 3 5.485 -6.053 -4.105 17 HG12 ILE 3 HG12 ILE 3 5.229 -4.051 -1.850 18 HG13 ILE 3 HG13 ILE 3 4.004 -5.222 -2.326 19 HG21 ILE 3 HG21 ILE 3 7.599 -5.430 -2.863 20 HG22 ILE 3 HG22 ILE 3 7.589 -5.100 -4.595 21 HG23 ILE 3 HG23 ILE 3 7.345 -3.785 -3.446 22 HD11 ILE 3 HD11 ILE 3 6.221 -5.535 -0.552 23 HD12 ILE 3 HD12 ILE 3 4.890 -6.643 -0.888 24 HD13 ILE 3 HD13 ILE 3 6.348 -6.688 -1.880 25 H ASP 4 H ASP 4 7.072 -3.860 -5.975 26 HA ASP 4 HA ASP 4 6.207 -5.522 -8.156 27 HB2 ASP 4 HB2 ASP 4 6.194 -2.550 -8.380 28 HB3 ASP 4 HB3 ASP 4 6.784 -3.475 -9.758 29 H PHE 5 H PHE 5 7.910 -6.407 -9.193 30 HA PHE 5 HA PHE 5 10.499 -6.118 -8.123 31 HB2 PHE 5 HB2 PHE 5 9.850 -8.207 -9.130 32 HB3 PHE 5 HB3 PHE 5 9.538 -7.421 -10.674 33 HD1 PHE 5 HD1 PHE 5 12.267 -8.099 -8.242 34 HD2 PHE 5 HD2 PHE 5 11.190 -7.357 -12.292 35 HE1 PHE 5 HE1 PHE 5 14.580 -8.563 -8.938 36 HE2 PHE 5 HE2 PHE 5 13.502 -7.820 -12.995 37 HZ PHE 5 HZ PHE 5 15.200 -8.425 -11.318 38 H SER 6 H SER 6 8.844 -4.498 -10.692 39 HA SER 6 HA SER 6 11.350 -3.228 -11.563 40 HB2 SER 6 HB2 SER 6 10.332 -2.759 -13.638 41 HB3 SER 6 HB3 SER 6 9.780 -4.386 -13.242 42 HG SER 6 HG SER 6 7.876 -3.544 -13.554 43 H THR 7 H THR 7 11.765 -1.286 -10.774 44 HA THR 7 HA THR 7 9.548 0.583 -10.325 45 HB THR 7 HB THR 7 11.198 1.272 -8.273 46 HG1 THR 7 HG1 THR 7 12.489 -0.548 -8.381 47 HG21 THR 7 HG21 THR 7 9.189 1.138 -7.320 48 HG22 THR 7 HG22 THR 7 9.398 -0.608 -7.188 49 HG23 THR 7 HG23 THR 7 8.614 0.082 -8.609 50 H CYS 8 H CYS 8 12.158 0.044 -12.046 51 HA CYS 8 HA CYS 8 12.893 2.884 -12.138 52 HB2 CYS 8 HB2 CYS 8 14.607 1.495 -10.870 53 HB3 CYS 8 HB3 CYS 8 14.944 0.685 -12.397 54 H ALA 9 H ALA 9 13.771 3.573 -14.180 55 HA ALA 9 HA ALA 9 12.442 2.377 -16.399 56 HB1 ALA 9 HB1 ALA 9 13.013 4.249 -17.573 57 HB2 ALA 9 HB2 ALA 9 13.172 4.872 -15.930 58 HB3 ALA 9 HB3 ALA 9 14.606 4.369 -16.824 59 H ARG 10 H ARG 10 15.433 1.806 -14.902 60 HA ARG 10 HA ARG 10 16.675 0.731 -17.314 61 HB2 ARG 10 HB2 ARG 10 17.796 0.720 -14.512 62 HB3 ARG 10 HB3 ARG 10 18.674 0.510 -16.021 63 HG2 ARG 10 HG2 ARG 10 17.313 3.037 -15.109 64 HG3 ARG 10 HG3 ARG 10 19.049 2.718 -15.074 65 HD2 ARG 10 HD2 ARG 10 18.452 2.175 -17.671 66 HD3 ARG 10 HD3 ARG 10 17.304 3.464 -17.314 67 HE ARG 10 HE ARG 10 19.044 4.936 -17.317 68 HH11 ARG 10 HH11 ARG 10 20.303 1.728 -16.827 69 HH12 ARG 10 HH12 ARG 10 21.961 2.226 -16.900 70 HH21 ARG 10 HH21 ARG 10 21.223 5.605 -17.415 71 HH22 ARG 10 HH22 ARG 10 22.483 4.432 -17.234 72 H MET 11 H MET 11 14.272 -0.469 -16.019 73 HA MET 11 HA MET 11 15.233 -2.977 -14.931 74 HB2 MET 11 HB2 MET 11 13.124 -1.722 -14.182 75 HB3 MET 11 HB3 MET 11 12.381 -2.335 -15.653 76 HG2 MET 11 HG2 MET 11 13.730 -4.340 -13.976 77 HG3 MET 11 HG3 MET 11 12.297 -3.590 -13.277 78 HE1 MET 11 HE1 MET 11 13.122 -6.608 -16.147 79 HE2 MET 11 HE2 MET 11 13.533 -6.317 -14.457 80 HE3 MET 11 HE3 MET 11 12.086 -7.240 -14.867 81 H ASP 12 H ASP 12 12.909 -2.256 -17.539 82 HA ASP 12 HA ASP 12 14.316 -3.908 -19.419 83 HB2 ASP 12 HB2 ASP 12 12.765 -5.355 -17.760 84 HB3 ASP 12 HB3 ASP 12 11.564 -4.918 -18.972 85 H VAL 13 H VAL 13 11.360 -2.197 -18.551 86 HA VAL 13 HA VAL 13 10.979 -1.500 -21.387 87 HB VAL 13 HB VAL 13 8.652 -0.809 -20.624 88 HG11 VAL 13 HG11 VAL 13 8.734 -3.688 -20.116 89 HG12 VAL 13 HG12 VAL 13 7.925 -2.782 -21.397 90 HG13 VAL 13 HG13 VAL 13 9.635 -3.188 -21.547 91 HG21 VAL 13 HG21 VAL 13 7.934 -1.149 -18.523 92 HG22 VAL 13 HG22 VAL 13 8.784 -2.687 -18.374 93 HG23 VAL 13 HG23 VAL 13 9.650 -1.173 -18.117 94 HA PRO 14 HA PRO 14 12.487 2.380 -19.389 95 HB2 PRO 14 HB2 PRO 14 13.959 3.166 -21.531 96 HB3 PRO 14 HB3 PRO 14 14.577 2.067 -20.292 97 HG2 PRO 14 HG2 PRO 14 13.457 1.437 -22.996 98 HG3 PRO 14 HG3 PRO 14 14.880 0.754 -22.187 99 HD2 PRO 14 HD2 PRO 14 12.498 -0.530 -22.275 100 HD3 PRO 14 HD3 PRO 14 13.617 -0.685 -20.905 101 H ILE 15 H ILE 15 10.566 1.540 -22.047 102 HA ILE 15 HA ILE 15 10.139 3.883 -23.429 103 HB ILE 15 HB ILE 15 8.013 1.888 -22.641 104 HG12 ILE 15 HG12 ILE 15 8.800 1.462 -25.289 105 HG13 ILE 15 HG13 ILE 15 10.306 1.705 -24.411 106 HG21 ILE 15 HG21 ILE 15 6.892 2.651 -24.705 107 HG22 ILE 15 HG22 ILE 15 7.041 3.925 -23.496 108 HG23 ILE 15 HG23 ILE 15 8.126 3.897 -24.885 109 HD11 ILE 15 HD11 ILE 15 9.176 -0.672 -24.662 110 HD12 ILE 15 HD12 ILE 15 10.075 -0.207 -23.217 111 HD13 ILE 15 HD13 ILE 15 8.314 -0.132 -23.222 112 H LEU 16 H LEU 16 9.016 2.986 -20.240 113 HA LEU 16 HA LEU 16 7.636 5.579 -20.024 114 HB2 LEU 16 HB2 LEU 16 7.244 3.169 -18.264 115 HB3 LEU 16 HB3 LEU 16 6.272 4.639 -18.299 116 HG LEU 16 HG LEU 16 6.418 2.555 -20.477 117 HD11 LEU 16 HD11 LEU 16 5.071 2.391 -18.114 118 HD12 LEU 16 HD12 LEU 16 4.598 1.586 -19.609 119 HD13 LEU 16 HD13 LEU 16 3.865 3.128 -19.169 120 HD21 LEU 16 HD21 LEU 16 5.993 4.533 -21.614 121 HD22 LEU 16 HD22 LEU 16 5.065 5.219 -20.281 122 HD23 LEU 16 HD23 LEU 16 4.374 3.928 -21.264 123 H LYS 17 H LYS 17 10.118 6.087 -19.770 124 HA LYS 17 HA LYS 17 11.474 5.509 -17.402 125 HB2 LYS 17 HB2 LYS 17 11.607 7.825 -19.316 126 HB3 LYS 17 HB3 LYS 17 12.622 7.773 -17.881 127 HG2 LYS 17 HG2 LYS 17 14.069 6.447 -18.900 128 HG3 LYS 17 HG3 LYS 17 12.800 5.275 -19.262 129 HD2 LYS 17 HD2 LYS 17 12.183 6.618 -21.247 130 HD3 LYS 17 HD3 LYS 17 13.534 7.700 -20.902 131 HE2 LYS 17 HE2 LYS 17 14.587 5.098 -20.877 132 HE3 LYS 17 HE3 LYS 17 13.520 5.178 -22.278 133 HZ1 LYS 17 HZ1 LYS 17 14.741 6.905 -23.206 134 HZ2 LYS 17 HZ2 LYS 17 15.935 5.886 -22.576 135 HZ3 LYS 17 HZ3 LYS 17 15.506 7.298 -21.749 136 H LYS 18 H LYS 18 9.346 8.246 -18.180 137 HA LYS 18 HA LYS 18 9.566 9.603 -15.749 138 HB2 LYS 18 HB2 LYS 18 7.910 9.731 -18.097 139 HB3 LYS 18 HB3 LYS 18 6.916 9.940 -16.662 140 HG2 LYS 18 HG2 LYS 18 9.446 11.497 -16.969 141 HG3 LYS 18 HG3 LYS 18 7.976 12.007 -17.804 142 HD2 LYS 18 HD2 LYS 18 7.014 12.732 -15.908 143 HD3 LYS 18 HD3 LYS 18 7.577 11.340 -14.980 144 HE2 LYS 18 HE2 LYS 18 9.406 12.420 -14.237 145 HE3 LYS 18 HE3 LYS 18 9.685 13.218 -15.784 146 HZ1 LYS 18 HZ1 LYS 18 7.917 14.785 -15.240 147 HZ2 LYS 18 HZ2 LYS 18 9.142 14.821 -14.075 148 HZ3 LYS 18 HZ3 LYS 18 7.684 14.030 -13.745 149 H ALA 19 H ALA 19 7.514 6.910 -16.705 150 HA ALA 19 HA ALA 19 5.903 6.930 -14.351 151 HB1 ALA 19 HB1 ALA 19 6.332 4.481 -16.015 152 HB2 ALA 19 HB2 ALA 19 4.871 5.039 -15.199 153 HB3 ALA 19 HB3 ALA 19 5.430 5.854 -16.659 154 H ALA 20 H ALA 20 8.712 5.020 -15.392 155 HA ALA 20 HA ALA 20 8.850 3.379 -13.105 156 HB1 ALA 20 HB1 ALA 20 11.376 4.052 -14.484 157 HB2 ALA 20 HB2 ALA 20 10.696 2.481 -14.057 158 HB3 ALA 20 HB3 ALA 20 10.097 3.346 -15.473 159 H GLN 21 H GLN 21 10.513 6.409 -13.930 160 HA GLN 21 HA GLN 21 12.010 6.550 -11.526 161 HB2 GLN 21 HB2 GLN 21 11.545 8.237 -13.868 162 HB3 GLN 21 HB3 GLN 21 11.762 9.160 -12.386 163 HG2 GLN 21 HG2 GLN 21 13.914 8.322 -12.040 164 HG3 GLN 21 HG3 GLN 21 13.676 6.997 -13.179 165 HE21 GLN 21 HE21 GLN 21 13.241 7.712 -15.462 166 HE22 GLN 21 HE22 GLN 21 14.187 9.027 -16.062 167 H GLY 22 H GLY 22 8.798 7.573 -12.435 168 HA2 GLY 22 HA2 GLY 22 8.245 9.453 -10.466 169 HA3 GLY 22 HA3 GLY 22 7.053 8.377 -11.181 170 H LEU 23 H LEU 23 8.489 5.980 -10.200 171 HA LEU 23 HA LEU 23 7.166 5.776 -7.680 172 HB2 LEU 23 HB2 LEU 23 9.184 3.865 -8.834 173 HB3 LEU 23 HB3 LEU 23 7.939 3.518 -7.636 174 HG LEU 23 HG LEU 23 7.590 4.015 -10.584 175 HD11 LEU 23 HD11 LEU 23 6.232 1.787 -10.053 176 HD12 LEU 23 HD12 LEU 23 7.426 1.691 -8.759 177 HD13 LEU 23 HD13 LEU 23 7.953 1.783 -10.440 178 HD21 LEU 23 HD21 LEU 23 5.719 4.453 -8.370 179 HD22 LEU 23 HD22 LEU 23 5.103 3.414 -9.656 180 HD23 LEU 23 HD23 LEU 23 5.673 5.041 -10.032 181 H CYS 24 H CYS 24 9.889 7.359 -8.410 182 HA CYS 24 HA CYS 24 11.142 6.742 -5.814 183 HB2 CYS 24 HB2 CYS 24 12.290 6.665 -8.409 184 HB3 CYS 24 HB3 CYS 24 12.989 8.046 -7.570 185 H ILE 25 H ILE 25 10.808 9.305 -8.267 186 HA ILE 25 HA ILE 25 11.543 11.418 -6.540 187 HB ILE 25 HB ILE 25 9.880 11.503 -9.060 188 HG12 ILE 25 HG12 ILE 25 12.274 12.535 -9.745 189 HG13 ILE 25 HG13 ILE 25 12.791 11.409 -8.494 190 HG21 ILE 25 HG21 ILE 25 9.448 13.517 -7.927 191 HG22 ILE 25 HG22 ILE 25 11.122 13.673 -7.398 192 HG23 ILE 25 HG23 ILE 25 10.709 13.906 -9.096 193 HD11 ILE 25 HD11 ILE 25 12.432 10.802 -11.124 194 HD12 ILE 25 HD12 ILE 25 12.451 9.637 -9.800 195 HD13 ILE 25 HD13 ILE 25 10.916 10.257 -10.407 196 H THR 26 H THR 26 8.371 10.207 -7.590 197 HA THR 26 HA THR 26 6.917 12.070 -5.972 198 HB THR 26 HB THR 26 6.275 10.097 -7.968 199 HG1 THR 26 HG1 THR 26 5.706 12.497 -7.566 200 HG21 THR 26 HG21 THR 26 4.098 9.377 -7.029 201 HG22 THR 26 HG22 THR 26 4.572 10.062 -5.474 202 HG23 THR 26 HG23 THR 26 5.475 8.708 -6.153 203 H SER 27 H SER 27 7.929 8.710 -5.654 204 HA SER 27 HA SER 27 6.423 8.028 -3.395 205 HB2 SER 27 HB2 SER 27 7.983 6.591 -4.967 206 HB3 SER 27 HB3 SER 27 9.193 6.946 -3.734 207 HG SER 27 HG SER 27 7.780 4.981 -3.506 208 H CYS 28 H CYS 28 9.400 9.824 -3.736 209 HA CYS 28 HA CYS 28 10.127 9.743 -0.976 210 HB2 CYS 28 HB2 CYS 28 11.285 10.673 -3.381 211 HB3 CYS 28 HB3 CYS 28 11.174 12.065 -2.310 212 H SER 29 H SER 29 8.459 12.097 -3.033 213 HA SER 29 HA SER 29 8.196 14.168 -1.196 214 HB2 SER 29 HB2 SER 29 7.496 13.934 -3.747 215 HB3 SER 29 HB3 SER 29 5.918 13.592 -3.039 216 HG SER 29 HG SER 29 7.315 15.954 -3.173 217 H MET 30 H MET 30 6.395 11.188 -1.521 218 HA MET 30 HA MET 30 4.262 11.930 0.223 219 HB2 MET 30 HB2 MET 30 5.110 9.094 -0.293 220 HB3 MET 30 HB3 MET 30 3.494 9.723 -0.005 221 HG2 MET 30 HG2 MET 30 4.236 11.035 -2.287 222 HG3 MET 30 HG3 MET 30 4.990 9.455 -2.489 223 HE1 MET 30 HE1 MET 30 0.614 9.988 -1.382 224 HE2 MET 30 HE2 MET 30 1.980 11.017 -0.952 225 HE3 MET 30 HE3 MET 30 1.189 11.209 -2.517 226 H GLN 31 H GLN 31 7.494 11.011 0.724 227 HA GLN 31 HA GLN 31 6.941 10.234 3.506 228 HB2 GLN 31 HB2 GLN 31 9.663 9.945 2.338 229 HB3 GLN 31 HB3 GLN 31 8.824 8.924 3.499 230 HG2 GLN 31 HG2 GLN 31 7.330 8.647 1.198 231 HG3 GLN 31 HG3 GLN 31 8.992 8.715 0.614 232 HE21 GLN 31 HE21 GLN 31 9.868 6.798 0.396 233 HE22 GLN 31 HE22 GLN 31 9.570 5.415 1.388 234 H ASN 32 H ASN 32 7.168 12.985 2.182 235 HA ASN 32 HA ASN 32 7.865 15.056 2.819 236 HB2 ASN 32 HB2 ASN 32 7.592 13.709 5.168 237 HB3 ASN 32 HB3 ASN 32 9.290 14.170 5.247 238 HD21 ASN 32 HD21 ASN 32 9.352 16.589 4.084 239 HD22 ASN 32 HD22 ASN 32 8.391 17.718 4.971 240 H CYS 33 H CYS 33 9.494 13.518 1.104 241 HA CYS 33 HA CYS 33 12.222 14.226 1.932 242 HB2 CYS 33 HB2 CYS 33 11.204 12.350 -0.208 243 HB3 CYS 33 HB3 CYS 33 12.903 12.761 0.001 244 H GLY 34 H GLY 34 13.524 14.499 -0.404 245 HA2 GLY 34 HA2 GLY 34 12.260 16.903 -1.553 246 HA3 GLY 34 HA3 GLY 34 13.993 16.627 -1.457 247 H THR 35 H THR 35 14.512 14.325 -2.560 248 HA THR 35 HA THR 35 13.025 14.041 -5.053 249 HB THR 35 HB THR 35 14.845 15.748 -5.438 250 HG1 THR 35 HG1 THR 35 14.821 15.007 -7.420 251 HG21 THR 35 HG21 THR 35 16.788 13.476 -5.443 252 HG22 THR 35 HG22 THR 35 16.454 14.330 -3.936 253 HG23 THR 35 HG23 THR 35 17.089 15.209 -5.327 254 H GLY 36 H GLY 36 14.354 12.285 -6.442 255 HA2 GLY 36 HA2 GLY 36 15.734 10.289 -4.942 256 HA3 GLY 36 HA3 GLY 36 14.048 9.851 -5.177 257 H SER 37 H SER 37 16.913 9.111 -6.299 258 HA SER 37 HA SER 37 16.005 8.900 -9.096 259 HB2 SER 37 HB2 SER 37 18.179 10.304 -8.338 260 HB3 SER 37 HB3 SER 37 18.912 8.711 -8.531 261 HG SER 37 HG SER 37 18.155 10.461 -10.421 262 H CYS 38 H CYS 38 16.292 6.953 -10.152 263 HA CYS 38 HA CYS 38 17.032 4.686 -8.422 264 HB2 CYS 38 HB2 CYS 38 15.474 3.323 -9.631 265 HB3 CYS 38 HB3 CYS 38 14.636 4.802 -9.171 266 H LYS 39 H LYS 39 18.427 3.141 -9.171 267 HA LYS 39 HA LYS 39 19.407 3.310 -11.913 268 HB2 LYS 39 HB2 LYS 39 21.344 3.333 -9.601 269 HB3 LYS 39 HB3 LYS 39 21.706 3.526 -11.311 270 HG2 LYS 39 HG2 LYS 39 20.590 5.677 -11.334 271 HG3 LYS 39 HG3 LYS 39 20.138 5.480 -9.639 272 HD2 LYS 39 HD2 LYS 39 22.342 5.714 -8.902 273 HD3 LYS 39 HD3 LYS 39 23.010 5.368 -10.499 274 HE2 LYS 39 HE2 LYS 39 21.462 7.593 -10.951 275 HE3 LYS 39 HE3 LYS 39 22.117 7.895 -9.342 276 HZ1 LYS 39 HZ1 LYS 39 24.338 7.233 -10.418 277 HZ2 LYS 39 HZ2 LYS 39 23.715 8.772 -10.736 278 HZ3 LYS 39 HZ3 LYS 39 23.559 7.543 -11.887 279 H LYS 40 H LYS 40 20.354 1.410 -12.674 280 HA LYS 40 HA LYS 40 19.444 -0.985 -11.464 281 HB2 LYS 40 HB2 LYS 40 20.828 -0.208 -13.916 282 HB3 LYS 40 HB3 LYS 40 21.371 -1.760 -13.290 283 HG2 LYS 40 HG2 LYS 40 18.504 -1.028 -13.850 284 HG3 LYS 40 HG3 LYS 40 19.544 -1.974 -14.917 285 HD2 LYS 40 HD2 LYS 40 19.865 -3.447 -12.763 286 HD3 LYS 40 HD3 LYS 40 18.329 -2.714 -12.296 287 HE2 LYS 40 HE2 LYS 40 17.952 -4.829 -13.430 288 HE3 LYS 40 HE3 LYS 40 17.333 -3.493 -14.399 289 HZ1 LYS 40 HZ1 LYS 40 18.859 -5.407 -15.394 290 HZ2 LYS 40 HZ2 LYS 40 20.071 -4.323 -14.931 291 HZ3 LYS 40 HZ3 LYS 40 18.862 -3.829 -16.005 292 H ARG 41 H ARG 41 20.282 -1.824 -9.673 293 HA ARG 41 HA ARG 41 23.154 -1.525 -9.160 294 HB2 ARG 41 HB2 ARG 41 20.906 -2.350 -7.314 295 HB3 ARG 41 HB3 ARG 41 22.594 -2.197 -6.845 296 HG2 ARG 41 HG2 ARG 41 20.877 0.048 -7.882 297 HG3 ARG 41 HG3 ARG 41 21.243 -0.258 -6.183 298 HD2 ARG 41 HD2 ARG 41 23.302 0.283 -8.318 299 HD3 ARG 41 HD3 ARG 41 22.670 1.495 -7.204 300 HE ARG 41 HE ARG 41 24.595 -0.567 -6.623 301 HH11 ARG 41 HH11 ARG 41 22.241 1.632 -5.304 302 HH12 ARG 41 HH12 ARG 41 22.952 1.652 -3.724 303 HH21 ARG 41 HH21 ARG 41 25.541 -0.549 -4.547 304 HH22 ARG 41 HH22 ARG 41 24.830 0.412 -3.295 305 H SER 42 H SER 42 24.349 -3.152 -9.895 306 HA SER 42 HA SER 42 25.081 -5.246 -10.405 307 HB2 SER 42 HB2 SER 42 24.427 -5.300 -7.784 308 HB3 SER 42 HB3 SER 42 23.355 -6.563 -8.388 309 HG SER 42 HG SER 42 25.338 -7.465 -7.833 310 H GLY 43 H GLY 43 22.750 -4.263 -11.792 311 HA2 GLY 43 HA2 GLY 43 21.482 -5.169 -13.516 312 HA3 GLY 43 HA3 GLY 43 21.861 -6.776 -12.912 313 H ARG 44 H ARG 44 20.739 -4.741 -10.467 314 HA ARG 44 HA ARG 44 18.035 -5.888 -10.711 315 HB2 ARG 44 HB2 ARG 44 19.642 -5.250 -8.232 316 HB3 ARG 44 HB3 ARG 44 17.947 -5.720 -8.215 317 HG2 ARG 44 HG2 ARG 44 20.117 -7.428 -9.403 318 HG3 ARG 44 HG3 ARG 44 19.591 -7.549 -7.723 319 HD2 ARG 44 HD2 ARG 44 17.245 -7.875 -8.638 320 HD3 ARG 44 HD3 ARG 44 18.000 -8.086 -10.217 321 HE ARG 44 HE ARG 44 17.982 -9.961 -8.036 322 HH11 ARG 44 HH11 ARG 44 19.620 -8.946 -10.936 323 HH12 ARG 44 HH12 ARG 44 20.343 -10.494 -11.226 324 HH21 ARG 44 HH21 ARG 44 18.929 -12.003 -8.406 325 HH22 ARG 44 HH22 ARG 44 19.948 -12.232 -9.786 326 HA PRO 45 HA PRO 45 16.592 -1.718 -10.963 327 HB2 PRO 45 HB2 PRO 45 13.963 -2.222 -10.513 328 HB3 PRO 45 HB3 PRO 45 14.762 -2.590 -12.046 329 HG2 PRO 45 HG2 PRO 45 14.115 -4.414 -9.762 330 HG3 PRO 45 HG3 PRO 45 13.938 -4.695 -11.504 331 HD2 PRO 45 HD2 PRO 45 16.017 -5.678 -10.073 332 HD3 PRO 45 HD3 PRO 45 16.170 -5.201 -11.777 333 H THR 46 H THR 46 17.595 -0.873 -9.088 334 HA THR 46 HA THR 46 16.028 -1.056 -6.606 335 HB THR 46 HB THR 46 18.893 -0.172 -7.003 336 HG1 THR 46 HG1 THR 46 17.876 -2.474 -5.667 337 HG21 THR 46 HG21 THR 46 18.735 -0.546 -4.380 338 HG22 THR 46 HG22 THR 46 17.052 -0.102 -4.667 339 HG23 THR 46 HG23 THR 46 18.347 1.006 -5.119 340 H CYS 47 H CYS 47 15.201 0.738 -5.641 341 HA CYS 47 HA CYS 47 15.418 3.248 -7.158 342 HB2 CYS 47 HB2 CYS 47 13.164 1.890 -6.453 343 HB3 CYS 47 HB3 CYS 47 13.310 3.016 -5.108 344 H VAL 48 H VAL 48 16.620 4.795 -6.300 345 HA VAL 48 HA VAL 48 17.060 4.794 -3.387 346 HB VAL 48 HB VAL 48 18.801 6.283 -5.324 347 HG11 VAL 48 HG11 VAL 48 18.904 5.438 -2.492 348 HG12 VAL 48 HG12 VAL 48 20.424 5.406 -3.389 349 HG13 VAL 48 HG13 VAL 48 19.505 6.906 -3.261 350 HG21 VAL 48 HG21 VAL 48 20.241 4.048 -4.897 351 HG22 VAL 48 HG22 VAL 48 18.617 3.363 -4.951 352 HG23 VAL 48 HG23 VAL 48 19.225 4.299 -6.317 353 H CYS 49 H CYS 49 16.917 6.715 -2.226 354 HA CYS 49 HA CYS 49 15.539 8.912 -3.627 355 HB2 CYS 49 HB2 CYS 49 14.846 7.439 -1.250 356 HB3 CYS 49 HB3 CYS 49 15.059 9.143 -0.860 357 H TYR 50 H TYR 50 15.796 11.061 -2.494 358 HA TYR 50 HA TYR 50 18.246 11.420 -0.997 359 HB2 TYR 50 HB2 TYR 50 17.927 12.576 -3.773 360 HB3 TYR 50 HB3 TYR 50 19.179 13.054 -2.631 361 HD1 TYR 50 HD1 TYR 50 21.015 11.534 -2.089 362 HD2 TYR 50 HD2 TYR 50 18.039 10.459 -4.933 363 HE1 TYR 50 HE1 TYR 50 22.458 9.717 -2.903 364 HE2 TYR 50 HE2 TYR 50 19.473 8.638 -5.754 365 HH TYR 50 HH TYR 50 21.311 7.342 -5.185 366 H ARG 51 H ARG 51 18.617 13.872 -0.653 367 HA ARG 51 HA ARG 51 17.832 15.732 0.408 368 HB2 ARG 51 HB2 ARG 51 15.762 15.609 -1.793 369 HB3 ARG 51 HB3 ARG 51 16.165 17.026 -0.833 370 HG2 ARG 51 HG2 ARG 51 18.601 16.335 -1.828 371 HG3 ARG 51 HG3 ARG 51 17.525 15.869 -3.147 372 HD2 ARG 51 HD2 ARG 51 17.039 18.000 -3.659 373 HD3 ARG 51 HD3 ARG 51 16.908 18.474 -1.966 374 HE ARG 51 HE ARG 51 19.212 18.722 -3.663 375 HH11 ARG 51 HH11 ARG 51 18.098 18.448 -0.376 376 HH12 ARG 51 HH12 ARG 51 19.498 19.212 0.300 377 HH21 ARG 51 HH21 ARG 51 21.061 19.730 -2.784 378 HH22 ARG 51 HH22 ARG 51 21.182 19.942 -1.070 379 H CYS 52 H CYS 52 16.755 13.120 1.253 380 HA CYS 52 HA CYS 52 14.000 13.433 1.903 381 HB2 CYS 52 HB2 CYS 52 15.670 11.312 1.866 382 HB3 CYS 52 HB3 CYS 52 15.672 11.664 3.591 383 H ALA 53 H ALA 53 13.380 13.165 4.342 384 HA ALA 53 HA ALA 53 14.710 15.359 5.783 385 HB1 ALA 53 HB1 ALA 53 12.586 16.118 5.725 386 HB2 ALA 53 HB2 ALA 53 11.900 14.505 5.522 387 HB3 ALA 53 HB3 ALA 53 12.397 15.057 7.122 388 H ASN 54 H ASN 54 13.692 12.024 5.999 389 HA ASN 54 HA ASN 54 14.476 11.841 8.798 390 HB2 ASN 54 HB2 ASN 54 12.482 10.615 7.503 391 HB3 ASN 54 HB3 ASN 54 13.743 9.414 7.242 392 HD21 ASN 54 HD21 ASN 54 14.514 8.236 8.955 393 HD22 ASN 54 HD22 ASN 54 13.766 8.242 10.512 394 H GLY 55 H GLY 55 16.342 12.282 6.416 395 HA2 GLY 55 HA2 GLY 55 18.545 10.853 7.418 396 HA3 GLY 55 HA3 GLY 55 17.919 9.992 6.019 397 H GLY 56 H GLY 56 17.046 12.471 4.695 398 HA2 GLY 56 HA2 GLY 56 17.882 13.957 3.160 399 HA3 GLY 56 HA3 GLY 56 19.131 14.298 4.348 400 H GLY 57 H GLY 57 18.274 11.644 2.116 401 HA2 GLY 57 HA2 GLY 57 20.334 11.787 0.354 402 HA3 GLY 57 HA3 GLY 57 21.056 10.979 1.738 403 H ASP 58 H ASP 58 21.372 9.004 0.791 404 HA ASP 58 HA ASP 58 19.459 7.650 -0.783 405 HB2 ASP 58 HB2 ASP 58 20.884 5.615 -0.244 406 HB3 ASP 58 HB3 ASP 58 21.722 6.967 -0.999 407 H ILE 59 H ILE 59 17.489 7.222 0.001 408 HA ILE 59 HA ILE 59 17.320 5.594 2.433 409 HB ILE 59 HB ILE 59 15.334 7.796 1.920 410 HG12 ILE 59 HG12 ILE 59 17.734 8.623 2.282 411 HG13 ILE 59 HG13 ILE 59 16.496 9.259 3.360 412 HG21 ILE 59 HG21 ILE 59 14.374 6.278 3.372 413 HG22 ILE 59 HG22 ILE 59 15.909 5.885 4.143 414 HG23 ILE 59 HG23 ILE 59 15.121 7.425 4.484 415 HD11 ILE 59 HD11 ILE 59 17.254 8.007 5.163 416 HD12 ILE 59 HD12 ILE 59 18.147 6.888 4.132 417 HD13 ILE 59 HD13 ILE 59 18.734 8.535 4.362 418 HA PRO 60 HA PRO 60 14.922 3.329 -0.618 419 HB2 PRO 60 HB2 PRO 60 14.733 1.069 0.873 420 HB3 PRO 60 HB3 PRO 60 16.178 1.491 -0.054 421 HG2 PRO 60 HG2 PRO 60 15.629 1.849 2.867 422 HG3 PRO 60 HG3 PRO 60 17.105 1.277 2.068 423 HD2 PRO 60 HD2 PRO 60 16.830 3.813 2.976 424 HD3 PRO 60 HD3 PRO 60 17.800 3.411 1.545 425 H LEU 61 H LEU 61 12.768 2.680 -0.778 426 HA LEU 61 HA LEU 61 10.869 4.030 0.696 427 HB2 LEU 61 HB2 LEU 61 10.861 1.785 -1.200 428 HB3 LEU 61 HB3 LEU 61 9.458 1.865 -0.137 429 HG LEU 61 HG LEU 61 9.184 2.963 -2.377 430 HD11 LEU 61 HD11 LEU 61 7.539 3.758 -1.071 431 HD12 LEU 61 HD12 LEU 61 8.489 5.243 -1.102 432 HD13 LEU 61 HD13 LEU 61 8.632 4.134 0.261 433 HD21 LEU 61 HD21 LEU 61 11.400 3.924 -2.601 434 HD22 LEU 61 HD22 LEU 61 11.125 4.943 -1.188 435 HD23 LEU 61 HD23 LEU 61 10.178 5.194 -2.655 436 H GLY 62 H GLY 62 12.562 1.144 1.503 437 HA2 GLY 62 HA2 GLY 62 10.633 0.250 3.467 438 HA3 GLY 62 HA3 GLY 62 12.219 -0.444 3.168 439 H ALA 63 H ALA 63 13.624 2.089 3.441 440 HA ALA 63 HA ALA 63 13.900 2.067 6.306 441 HB1 ALA 63 HB1 ALA 63 15.758 3.593 5.942 442 HB2 ALA 63 HB2 ALA 63 15.860 2.217 4.843 443 HB3 ALA 63 HB3 ALA 63 15.293 3.779 4.251 444 H LEU 64 H LEU 64 12.245 3.985 3.970 445 HA LEU 64 HA LEU 64 11.990 6.303 5.677 446 HB2 LEU 64 HB2 LEU 64 11.417 5.617 2.921 447 HB3 LEU 64 HB3 LEU 64 10.088 6.504 3.665 448 HG LEU 64 HG LEU 64 12.921 7.509 3.748 449 HD11 LEU 64 HD11 LEU 64 12.779 8.460 1.700 450 HD12 LEU 64 HD12 LEU 64 11.025 8.626 1.774 451 HD13 LEU 64 HD13 LEU 64 11.747 7.063 1.392 452 HD21 LEU 64 HD21 LEU 64 10.337 8.411 4.697 453 HD22 LEU 64 HD22 LEU 64 11.105 9.602 3.647 454 HD23 LEU 64 HD23 LEU 64 11.952 9.010 5.077 455 H ILE 65 H ILE 65 10.722 3.352 5.911 456 HA ILE 65 HA ILE 65 7.950 4.038 6.364 457 HB ILE 65 HB ILE 65 9.322 1.457 7.101 458 HG12 ILE 65 HG12 ILE 65 8.093 2.306 4.473 459 HG13 ILE 65 HG13 ILE 65 9.766 1.841 4.760 460 HG21 ILE 65 HG21 ILE 65 7.301 0.698 7.655 461 HG22 ILE 65 HG22 ILE 65 6.769 2.378 7.609 462 HG23 ILE 65 HG23 ILE 65 6.570 1.351 6.189 463 HD11 ILE 65 HD11 ILE 65 8.647 0.036 3.680 464 HD12 ILE 65 HD12 ILE 65 8.958 -0.433 5.351 465 HD13 ILE 65 HD13 ILE 65 7.340 0.069 4.863 466 H LYS 66 H LYS 66 6.945 4.321 8.295 467 HA LYS 66 HA LYS 66 8.613 4.930 10.569 468 HB2 LYS 66 HB2 LYS 66 5.600 4.924 10.520 469 HB3 LYS 66 HB3 LYS 66 6.667 5.854 11.564 470 HG2 LYS 66 HG2 LYS 66 6.422 6.237 8.587 471 HG3 LYS 66 HG3 LYS 66 5.587 7.206 9.804 472 HD2 LYS 66 HD2 LYS 66 7.372 8.522 9.954 473 HD3 LYS 66 HD3 LYS 66 8.327 7.145 10.509 474 HE2 LYS 66 HE2 LYS 66 8.717 6.540 8.127 475 HE3 LYS 66 HE3 LYS 66 7.893 8.026 7.658 476 HZ1 LYS 66 HZ1 LYS 66 10.572 7.650 8.581 477 HZ2 LYS 66 HZ2 LYS 66 9.761 8.839 9.469 478 HZ3 LYS 66 HZ3 LYS 66 9.883 8.976 7.788 479 H ARG 67 H ARG 67 7.526 2.105 9.401 480 HA ARG 67 HA ARG 67 7.120 0.947 12.081 481 HB2 ARG 67 HB2 ARG 67 5.982 0.178 9.403 482 HB3 ARG 67 HB3 ARG 67 6.032 -0.963 10.740 483 HG2 ARG 67 HG2 ARG 67 3.915 -0.077 10.925 484 HG3 ARG 67 HG3 ARG 67 4.832 0.914 12.061 485 HD2 ARG 67 HD2 ARG 67 4.479 2.776 10.876 486 HD3 ARG 67 HD3 ARG 67 4.870 1.977 9.354 487 HE ARG 67 HE ARG 67 2.257 2.438 10.445 488 HH11 ARG 67 HH11 ARG 67 4.151 0.412 8.341 489 HH12 ARG 67 HH12 ARG 67 2.794 -0.093 7.390 490 HH21 ARG 67 HH21 ARG 67 0.462 1.782 9.199 491 HH22 ARG 67 HH22 ARG 67 0.696 0.688 7.878 492 H GLY 68 H GLY 68 9.480 1.400 9.996 493 HA2 GLY 68 HA2 GLY 68 10.679 -1.238 10.542 494 HA3 GLY 68 HA3 GLY 68 10.801 -0.520 8.942 Start of MODEL 20 1 H MET 1 H MET 1 0.615 -2.863 -5.350 2 HA MET 1 HA MET 1 2.162 -3.938 -6.731 3 HB2 MET 1 HB2 MET 1 0.289 -3.801 -8.543 4 HB3 MET 1 HB3 MET 1 1.186 -2.401 -9.114 5 HG2 MET 1 HG2 MET 1 3.017 -4.532 -8.693 6 HG3 MET 1 HG3 MET 1 1.659 -5.134 -9.640 7 HE1 MET 1 HE1 MET 1 3.153 -4.829 -12.750 8 HE2 MET 1 HE2 MET 1 1.972 -5.507 -11.630 9 HE3 MET 1 HE3 MET 1 1.532 -4.140 -12.654 10 H ASP 2 H ASP 2 3.614 -2.686 -5.503 11 HA ASP 2 HA ASP 2 5.009 -0.683 -7.060 12 HB2 ASP 2 HB2 ASP 2 3.649 -0.041 -4.450 13 HB3 ASP 2 HB3 ASP 2 5.036 0.881 -5.024 14 H ILE 3 H ILE 3 5.991 -3.091 -6.583 15 HA ILE 3 HA ILE 3 7.497 -3.210 -4.130 16 HB ILE 3 HB ILE 3 8.076 -4.933 -6.512 17 HG12 ILE 3 HG12 ILE 3 6.223 -6.377 -5.103 18 HG13 ILE 3 HG13 ILE 3 5.552 -4.752 -5.012 19 HG21 ILE 3 HG21 ILE 3 8.298 -5.174 -3.537 20 HG22 ILE 3 HG22 ILE 3 8.255 -6.613 -4.556 21 HG23 ILE 3 HG23 ILE 3 9.533 -5.417 -4.772 22 HD11 ILE 3 HD11 ILE 3 4.936 -4.772 -7.152 23 HD12 ILE 3 HD12 ILE 3 6.454 -5.498 -7.682 24 HD13 ILE 3 HD13 ILE 3 5.162 -6.518 -7.049 25 H ASP 4 H ASP 4 9.877 -3.513 -4.159 26 HA ASP 4 HA ASP 4 11.114 -1.334 -5.561 27 HB2 ASP 4 HB2 ASP 4 12.230 -3.435 -3.696 28 HB3 ASP 4 HB3 ASP 4 13.184 -2.116 -4.370 29 H PHE 5 H PHE 5 10.409 -4.460 -6.419 30 HA PHE 5 HA PHE 5 12.796 -5.124 -7.853 31 HB2 PHE 5 HB2 PHE 5 11.265 -6.864 -7.038 32 HB3 PHE 5 HB3 PHE 5 9.998 -6.250 -8.096 33 HD1 PHE 5 HD1 PHE 5 9.587 -7.740 -9.787 34 HD2 PHE 5 HD2 PHE 5 13.613 -7.016 -8.613 35 HE1 PHE 5 HE1 PHE 5 10.375 -9.220 -11.589 36 HE2 PHE 5 HE2 PHE 5 14.408 -8.494 -10.413 37 HZ PHE 5 HZ PHE 5 12.788 -9.597 -11.904 38 H SER 6 H SER 6 10.294 -2.961 -8.417 39 HA SER 6 HA SER 6 11.235 -2.434 -11.091 40 HB2 SER 6 HB2 SER 6 9.078 -2.674 -12.197 41 HB3 SER 6 HB3 SER 6 9.541 -4.211 -11.466 42 HG SER 6 HG SER 6 7.309 -3.477 -11.111 43 H THR 7 H THR 7 11.747 -0.376 -10.510 44 HA THR 7 HA THR 7 9.553 1.487 -10.254 45 HB THR 7 HB THR 7 10.922 2.565 -8.246 46 HG1 THR 7 HG1 THR 7 12.331 0.547 -8.400 47 HG21 THR 7 HG21 THR 7 9.009 2.185 -7.160 48 HG22 THR 7 HG22 THR 7 9.311 0.448 -7.114 49 HG23 THR 7 HG23 THR 7 8.523 1.169 -8.517 50 H CYS 8 H CYS 8 11.943 0.786 -11.981 51 HA CYS 8 HA CYS 8 12.948 3.532 -12.219 52 HB2 CYS 8 HB2 CYS 8 14.571 1.832 -11.073 53 HB3 CYS 8 HB3 CYS 8 14.801 1.225 -12.710 54 H ALA 9 H ALA 9 13.897 3.981 -14.360 55 HA ALA 9 HA ALA 9 12.193 3.036 -16.432 56 HB1 ALA 9 HB1 ALA 9 13.351 5.329 -16.192 57 HB2 ALA 9 HB2 ALA 9 14.734 4.534 -16.946 58 HB3 ALA 9 HB3 ALA 9 13.195 4.622 -17.801 59 H ARG 10 H ARG 10 14.972 1.749 -15.057 60 HA ARG 10 HA ARG 10 15.892 0.440 -17.492 61 HB2 ARG 10 HB2 ARG 10 16.944 0.084 -14.684 62 HB3 ARG 10 HB3 ARG 10 17.743 -0.355 -16.188 63 HG2 ARG 10 HG2 ARG 10 17.099 2.456 -15.320 64 HG3 ARG 10 HG3 ARG 10 18.676 1.676 -15.183 65 HD2 ARG 10 HD2 ARG 10 17.999 1.282 -17.825 66 HD3 ARG 10 HD3 ARG 10 17.386 2.901 -17.488 67 HE ARG 10 HE ARG 10 19.543 3.652 -17.357 68 HH11 ARG 10 HH11 ARG 10 19.531 0.176 -17.151 69 HH12 ARG 10 HH12 ARG 10 21.255 0.034 -17.247 70 HH21 ARG 10 HH21 ARG 10 21.814 3.478 -17.485 71 HH22 ARG 10 HH22 ARG 10 22.553 1.913 -17.436 72 H MET 11 H MET 11 13.248 -0.123 -16.225 73 HA MET 11 HA MET 11 13.541 -2.858 -15.277 74 HB2 MET 11 HB2 MET 11 11.515 -0.781 -15.105 75 HB3 MET 11 HB3 MET 11 10.823 -2.330 -15.568 76 HG2 MET 11 HG2 MET 11 12.607 -1.930 -13.181 77 HG3 MET 11 HG3 MET 11 10.847 -1.888 -13.122 78 HE1 MET 11 HE1 MET 11 10.142 -5.057 -15.023 79 HE2 MET 11 HE2 MET 11 9.473 -5.021 -13.391 80 HE3 MET 11 HE3 MET 11 9.528 -3.544 -14.355 81 H ASP 12 H ASP 12 11.528 -4.265 -16.202 82 HA ASP 12 HA ASP 12 12.275 -4.865 -18.883 83 HB2 ASP 12 HB2 ASP 12 11.068 -6.256 -16.829 84 HB3 ASP 12 HB3 ASP 12 9.750 -6.037 -17.977 85 H VAL 13 H VAL 13 9.983 -2.753 -17.497 86 HA VAL 13 HA VAL 13 8.554 -2.527 -20.065 87 HB VAL 13 HB VAL 13 6.825 -1.270 -18.658 88 HG11 VAL 13 HG11 VAL 13 7.241 -4.214 -18.142 89 HG12 VAL 13 HG12 VAL 13 5.718 -3.334 -17.988 90 HG13 VAL 13 HG13 VAL 13 6.476 -3.517 -19.570 91 HG21 VAL 13 HG21 VAL 13 6.769 -1.880 -16.273 92 HG22 VAL 13 HG22 VAL 13 8.348 -2.647 -16.445 93 HG23 VAL 13 HG23 VAL 13 8.182 -0.907 -16.679 94 HA PRO 14 HA PRO 14 11.136 1.303 -19.640 95 HB2 PRO 14 HB2 PRO 14 11.905 1.348 -22.243 96 HB3 PRO 14 HB3 PRO 14 12.767 0.430 -21.003 97 HG2 PRO 14 HG2 PRO 14 10.763 -0.521 -23.013 98 HG3 PRO 14 HG3 PRO 14 12.286 -1.275 -22.508 99 HD2 PRO 14 HD2 PRO 14 9.878 -2.086 -21.571 100 HD3 PRO 14 HD3 PRO 14 11.359 -2.163 -20.594 101 H ILE 15 H ILE 15 8.371 0.309 -21.322 102 HA ILE 15 HA ILE 15 7.782 2.361 -23.063 103 HB ILE 15 HB ILE 15 5.358 1.943 -22.452 104 HG12 ILE 15 HG12 ILE 15 6.510 -0.272 -20.754 105 HG13 ILE 15 HG13 ILE 15 5.944 1.252 -20.080 106 HG21 ILE 15 HG21 ILE 15 7.269 -0.168 -23.353 107 HG22 ILE 15 HG22 ILE 15 5.554 -0.543 -23.196 108 HG23 ILE 15 HG23 ILE 15 6.079 0.741 -24.285 109 HD11 ILE 15 HD11 ILE 15 4.374 -0.930 -21.381 110 HD12 ILE 15 HD12 ILE 15 4.139 -0.166 -19.809 111 HD13 ILE 15 HD13 ILE 15 3.738 0.712 -21.284 112 H LEU 16 H LEU 16 7.713 2.364 -19.573 113 HA LEU 16 HA LEU 16 6.886 5.191 -19.638 114 HB2 LEU 16 HB2 LEU 16 6.085 2.956 -17.854 115 HB3 LEU 16 HB3 LEU 16 6.248 4.559 -17.141 116 HG LEU 16 HG LEU 16 3.938 4.112 -17.728 117 HD11 LEU 16 HD11 LEU 16 3.789 6.286 -18.120 118 HD12 LEU 16 HD12 LEU 16 4.198 6.005 -19.812 119 HD13 LEU 16 HD13 LEU 16 5.474 6.327 -18.639 120 HD21 LEU 16 HD21 LEU 16 4.846 3.901 -20.592 121 HD22 LEU 16 HD22 LEU 16 3.213 3.687 -19.962 122 HD23 LEU 16 HD23 LEU 16 4.469 2.511 -19.573 123 H LYS 17 H LYS 17 9.293 5.391 -19.950 124 HA LYS 17 HA LYS 17 11.060 4.778 -17.812 125 HB2 LYS 17 HB2 LYS 17 11.348 6.795 -20.048 126 HB3 LYS 17 HB3 LYS 17 12.647 6.260 -18.989 127 HG2 LYS 17 HG2 LYS 17 11.903 3.883 -19.878 128 HG3 LYS 17 HG3 LYS 17 11.321 4.849 -21.236 129 HD2 LYS 17 HD2 LYS 17 13.423 4.622 -22.004 130 HD3 LYS 17 HD3 LYS 17 13.797 5.906 -20.852 131 HE2 LYS 17 HE2 LYS 17 13.857 3.557 -19.356 132 HE3 LYS 17 HE3 LYS 17 14.642 3.141 -20.879 133 HZ1 LYS 17 HZ1 LYS 17 16.376 3.952 -19.630 134 HZ2 LYS 17 HZ2 LYS 17 15.439 5.137 -18.870 135 HZ3 LYS 17 HZ3 LYS 17 15.912 5.339 -20.481 136 H LYS 18 H LYS 18 9.498 7.801 -18.850 137 HA LYS 18 HA LYS 18 10.547 9.417 -16.800 138 HB2 LYS 18 HB2 LYS 18 9.464 10.237 -18.904 139 HB3 LYS 18 HB3 LYS 18 7.907 9.777 -18.227 140 HG2 LYS 18 HG2 LYS 18 7.782 11.805 -17.349 141 HG3 LYS 18 HG3 LYS 18 9.102 11.353 -16.267 142 HD2 LYS 18 HD2 LYS 18 9.603 12.406 -19.037 143 HD3 LYS 18 HD3 LYS 18 9.391 13.481 -17.652 144 HE2 LYS 18 HE2 LYS 18 11.292 11.276 -17.245 145 HE3 LYS 18 HE3 LYS 18 11.771 12.459 -18.461 146 HZ1 LYS 18 HZ1 LYS 18 10.900 13.212 -15.730 147 HZ2 LYS 18 HZ2 LYS 18 11.655 14.194 -16.881 148 HZ3 LYS 18 HZ3 LYS 18 12.519 12.943 -16.140 149 H ALA 19 H ALA 19 7.660 7.410 -16.984 150 HA ALA 19 HA ALA 19 6.533 8.312 -14.525 151 HB1 ALA 19 HB1 ALA 19 4.781 7.223 -15.337 152 HB2 ALA 19 HB2 ALA 19 5.779 6.569 -16.636 153 HB3 ALA 19 HB3 ALA 19 5.626 5.691 -15.114 154 H ALA 20 H ALA 20 8.836 5.849 -15.417 155 HA ALA 20 HA ALA 20 8.730 4.234 -13.133 156 HB1 ALA 20 HB1 ALA 20 11.393 4.657 -14.317 157 HB2 ALA 20 HB2 ALA 20 10.504 3.163 -14.019 158 HB3 ALA 20 HB3 ALA 20 10.128 4.145 -15.435 159 H GLN 21 H GLN 21 10.699 7.111 -13.821 160 HA GLN 21 HA GLN 21 12.127 7.111 -11.396 161 HB2 GLN 21 HB2 GLN 21 11.740 8.923 -13.653 162 HB3 GLN 21 HB3 GLN 21 11.960 9.771 -12.128 163 HG2 GLN 21 HG2 GLN 21 14.088 8.888 -11.803 164 HG3 GLN 21 HG3 GLN 21 13.827 7.588 -12.965 165 HE21 GLN 21 HE21 GLN 21 14.920 7.835 -14.763 166 HE22 GLN 21 HE22 GLN 21 15.328 9.335 -15.517 167 H GLY 22 H GLY 22 8.949 8.264 -12.253 168 HA2 GLY 22 HA2 GLY 22 8.447 10.070 -10.203 169 HA3 GLY 22 HA3 GLY 22 7.226 9.059 -10.962 170 H LEU 23 H LEU 23 8.596 6.584 -10.091 171 HA LEU 23 HA LEU 23 7.273 6.306 -7.578 172 HB2 LEU 23 HB2 LEU 23 9.065 4.489 -9.167 173 HB3 LEU 23 HB3 LEU 23 8.373 4.025 -7.615 174 HG LEU 23 HG LEU 23 6.285 4.946 -9.343 175 HD11 LEU 23 HD11 LEU 23 8.130 4.162 -11.011 176 HD12 LEU 23 HD12 LEU 23 6.457 3.650 -11.234 177 HD13 LEU 23 HD13 LEU 23 7.627 2.549 -10.505 178 HD21 LEU 23 HD21 LEU 23 6.746 2.098 -8.560 179 HD22 LEU 23 HD22 LEU 23 5.236 3.004 -8.655 180 HD23 LEU 23 HD23 LEU 23 6.364 3.305 -7.332 181 H CYS 24 H CYS 24 10.040 7.838 -8.247 182 HA CYS 24 HA CYS 24 11.287 7.062 -5.692 183 HB2 CYS 24 HB2 CYS 24 12.418 7.104 -8.297 184 HB3 CYS 24 HB3 CYS 24 13.156 8.416 -7.384 185 H ILE 25 H ILE 25 10.992 9.759 -8.001 186 HA ILE 25 HA ILE 25 11.779 11.757 -6.157 187 HB ILE 25 HB ILE 25 10.125 12.036 -8.669 188 HG12 ILE 25 HG12 ILE 25 12.571 13.008 -9.290 189 HG13 ILE 25 HG13 ILE 25 13.025 11.765 -8.129 190 HG21 ILE 25 HG21 ILE 25 11.567 14.092 -7.004 191 HG22 ILE 25 HG22 ILE 25 10.910 14.392 -8.612 192 HG23 ILE 25 HG23 ILE 25 9.830 13.974 -7.283 193 HD11 ILE 25 HD11 ILE 25 11.093 10.819 -10.076 194 HD12 ILE 25 HD12 ILE 25 12.587 11.399 -10.813 195 HD13 ILE 25 HD13 ILE 25 12.641 10.134 -9.586 196 H THR 26 H THR 26 8.587 10.681 -7.289 197 HA THR 26 HA THR 26 7.170 12.488 -5.572 198 HB THR 26 HB THR 26 6.491 10.660 -7.691 199 HG1 THR 26 HG1 THR 26 5.973 13.056 -7.088 200 HG21 THR 26 HG21 THR 26 5.634 9.187 -5.969 201 HG22 THR 26 HG22 THR 26 4.286 9.947 -6.815 202 HG23 THR 26 HG23 THR 26 4.763 10.524 -5.218 203 H SER 27 H SER 27 8.091 9.089 -5.456 204 HA SER 27 HA SER 27 6.545 8.311 -3.254 205 HB2 SER 27 HB2 SER 27 8.065 6.925 -4.901 206 HB3 SER 27 HB3 SER 27 9.286 7.174 -3.654 207 HG SER 27 HG SER 27 7.097 5.540 -3.653 208 H CYS 28 H CYS 28 9.565 10.049 -3.466 209 HA CYS 28 HA CYS 28 10.280 9.770 -0.716 210 HB2 CYS 28 HB2 CYS 28 11.478 10.809 -3.046 211 HB3 CYS 28 HB3 CYS 28 11.373 12.153 -1.913 212 H SER 29 H SER 29 8.669 12.290 -2.616 213 HA SER 29 HA SER 29 8.447 14.242 -0.648 214 HB2 SER 29 HB2 SER 29 7.749 14.195 -3.208 215 HB3 SER 29 HB3 SER 29 6.163 13.832 -2.529 216 HG SER 29 HG SER 29 7.765 16.125 -2.163 217 H MET 30 H MET 30 6.601 11.319 -1.153 218 HA MET 30 HA MET 30 4.466 11.988 0.617 219 HB2 MET 30 HB2 MET 30 5.300 9.180 -0.060 220 HB3 MET 30 HB3 MET 30 3.688 9.793 0.283 221 HG2 MET 30 HG2 MET 30 4.446 11.237 -1.930 222 HG3 MET 30 HG3 MET 30 5.136 9.643 -2.229 223 HE1 MET 30 HE1 MET 30 2.448 8.129 -0.330 224 HE2 MET 30 HE2 MET 30 1.989 7.355 -1.847 225 HE3 MET 30 HE3 MET 30 3.694 7.531 -1.426 226 H GLN 31 H GLN 31 7.685 10.999 1.087 227 HA GLN 31 HA GLN 31 7.103 10.097 3.825 228 HB2 GLN 31 HB2 GLN 31 9.835 9.808 2.708 229 HB3 GLN 31 HB3 GLN 31 8.921 8.719 3.744 230 HG2 GLN 31 HG2 GLN 31 7.478 8.541 1.480 231 HG3 GLN 31 HG3 GLN 31 9.077 8.861 0.811 232 HE21 GLN 31 HE21 GLN 31 7.259 6.728 2.934 233 HE22 GLN 31 HE22 GLN 31 8.289 5.354 2.740 234 H ASN 32 H ASN 32 7.378 12.904 2.649 235 HA ASN 32 HA ASN 32 8.108 14.926 3.393 236 HB2 ASN 32 HB2 ASN 32 7.695 13.630 5.654 237 HB3 ASN 32 HB3 ASN 32 9.452 13.690 5.763 238 HD21 ASN 32 HD21 ASN 32 6.634 15.749 5.186 239 HD22 ASN 32 HD22 ASN 32 7.271 17.142 5.984 240 H CYS 33 H CYS 33 9.691 13.514 1.567 241 HA CYS 33 HA CYS 33 12.437 14.140 2.416 242 HB2 CYS 33 HB2 CYS 33 11.396 12.341 0.222 243 HB3 CYS 33 HB3 CYS 33 13.098 12.739 0.431 244 H GLY 34 H GLY 34 13.734 14.499 0.097 245 HA2 GLY 34 HA2 GLY 34 12.470 16.941 -0.968 246 HA3 GLY 34 HA3 GLY 34 14.202 16.655 -0.890 247 H THR 35 H THR 35 14.710 14.394 -2.077 248 HA THR 35 HA THR 35 13.208 14.199 -4.569 249 HB THR 35 HB THR 35 15.029 15.911 -4.908 250 HG1 THR 35 HG1 THR 35 14.449 15.060 -6.799 251 HG21 THR 35 HG21 THR 35 17.271 15.372 -4.812 252 HG22 THR 35 HG22 THR 35 16.972 13.644 -4.999 253 HG23 THR 35 HG23 THR 35 16.640 14.435 -3.459 254 H GLY 36 H GLY 36 14.519 12.486 -6.024 255 HA2 GLY 36 HA2 GLY 36 15.900 10.435 -4.601 256 HA3 GLY 36 HA3 GLY 36 14.211 10.012 -4.841 257 H SER 37 H SER 37 17.086 9.334 -6.011 258 HA SER 37 HA SER 37 16.163 9.223 -8.809 259 HB2 SER 37 HB2 SER 37 18.483 10.420 -7.825 260 HB3 SER 37 HB3 SER 37 19.033 8.883 -8.493 261 HG SER 37 HG SER 37 17.295 10.574 -9.936 262 H CYS 38 H CYS 38 16.442 7.317 -9.948 263 HA CYS 38 HA CYS 38 17.123 4.970 -8.303 264 HB2 CYS 38 HB2 CYS 38 15.569 3.682 -9.595 265 HB3 CYS 38 HB3 CYS 38 14.744 5.154 -9.093 266 H LYS 39 H LYS 39 18.542 3.467 -9.066 267 HA LYS 39 HA LYS 39 19.575 3.736 -11.785 268 HB2 LYS 39 HB2 LYS 39 21.308 3.827 -9.309 269 HB3 LYS 39 HB3 LYS 39 21.918 3.639 -10.948 270 HG2 LYS 39 HG2 LYS 39 21.343 5.814 -11.544 271 HG3 LYS 39 HG3 LYS 39 20.217 5.985 -10.195 272 HD2 LYS 39 HD2 LYS 39 22.830 5.406 -9.182 273 HD3 LYS 39 HD3 LYS 39 22.928 6.760 -10.310 274 HE2 LYS 39 HE2 LYS 39 20.654 6.912 -8.481 275 HE3 LYS 39 HE3 LYS 39 22.218 6.927 -7.666 276 HZ1 LYS 39 HZ1 LYS 39 22.871 8.739 -9.219 277 HZ2 LYS 39 HZ2 LYS 39 21.627 9.159 -8.153 278 HZ3 LYS 39 HZ3 LYS 39 21.271 8.795 -9.767 279 H LYS 40 H LYS 40 20.671 1.871 -12.558 280 HA LYS 40 HA LYS 40 19.626 -0.573 -11.528 281 HB2 LYS 40 HB2 LYS 40 21.169 0.293 -13.870 282 HB3 LYS 40 HB3 LYS 40 21.573 -1.325 -13.311 283 HG2 LYS 40 HG2 LYS 40 18.766 -0.412 -13.892 284 HG3 LYS 40 HG3 LYS 40 19.803 -1.227 -15.065 285 HD2 LYS 40 HD2 LYS 40 20.054 -3.023 -13.204 286 HD3 LYS 40 HD3 LYS 40 18.589 -2.292 -12.544 287 HE2 LYS 40 HE2 LYS 40 17.609 -3.835 -13.887 288 HE3 LYS 40 HE3 LYS 40 17.812 -2.554 -15.082 289 HZ1 LYS 40 HZ1 LYS 40 18.974 -5.147 -15.014 290 HZ2 LYS 40 HZ2 LYS 40 20.174 -3.958 -15.107 291 HZ3 LYS 40 HZ3 LYS 40 18.950 -4.017 -16.274 292 H ARG 41 H ARG 41 20.386 -1.525 -9.760 293 HA ARG 41 HA ARG 41 23.237 -1.282 -9.116 294 HB2 ARG 41 HB2 ARG 41 20.900 -2.170 -7.416 295 HB3 ARG 41 HB3 ARG 41 22.569 -2.094 -6.867 296 HG2 ARG 41 HG2 ARG 41 20.972 0.263 -7.845 297 HG3 ARG 41 HG3 ARG 41 21.223 -0.162 -6.151 298 HD2 ARG 41 HD2 ARG 41 23.407 0.476 -8.130 299 HD3 ARG 41 HD3 ARG 41 22.765 1.597 -6.930 300 HE ARG 41 HE ARG 41 24.661 -0.490 -6.488 301 HH11 ARG 41 HH11 ARG 41 22.088 1.328 -5.008 302 HH12 ARG 41 HH12 ARG 41 22.674 1.094 -3.395 303 HH21 ARG 41 HH21 ARG 41 25.443 -0.806 -4.368 304 HH22 ARG 41 HH22 ARG 41 24.584 -0.119 -3.032 305 H SER 42 H SER 42 24.399 -2.865 -10.012 306 HA SER 42 HA SER 42 25.146 -4.936 -10.583 307 HB2 SER 42 HB2 SER 42 23.503 -5.482 -8.140 308 HB3 SER 42 HB3 SER 42 24.141 -6.841 -9.065 309 HG SER 42 HG SER 42 25.572 -4.764 -7.784 310 H GLY 43 H GLY 43 22.791 -3.839 -11.910 311 HA2 GLY 43 HA2 GLY 43 21.592 -4.646 -13.741 312 HA3 GLY 43 HA3 GLY 43 21.928 -6.286 -13.208 313 H ARG 44 H ARG 44 20.761 -4.313 -10.719 314 HA ARG 44 HA ARG 44 18.049 -5.409 -11.085 315 HB2 ARG 44 HB2 ARG 44 19.525 -4.876 -8.500 316 HB3 ARG 44 HB3 ARG 44 17.869 -5.454 -8.625 317 HG2 ARG 44 HG2 ARG 44 20.294 -6.918 -9.647 318 HG3 ARG 44 HG3 ARG 44 19.470 -7.246 -8.121 319 HD2 ARG 44 HD2 ARG 44 18.264 -8.721 -9.294 320 HD3 ARG 44 HD3 ARG 44 17.413 -7.312 -9.925 321 HE ARG 44 HE ARG 44 18.324 -7.763 -11.961 322 HH11 ARG 44 HH11 ARG 44 20.316 -9.235 -9.514 323 HH12 ARG 44 HH12 ARG 44 21.373 -10.003 -10.652 324 HH21 ARG 44 HH21 ARG 44 19.708 -8.769 -13.469 325 HH22 ARG 44 HH22 ARG 44 21.027 -9.736 -12.901 326 HA PRO 45 HA PRO 45 16.697 -1.202 -11.159 327 HB2 PRO 45 HB2 PRO 45 14.046 -1.672 -10.809 328 HB3 PRO 45 HB3 PRO 45 14.882 -1.977 -12.336 329 HG2 PRO 45 HG2 PRO 45 14.134 -3.902 -10.169 330 HG3 PRO 45 HG3 PRO 45 14.001 -4.090 -11.927 331 HD2 PRO 45 HD2 PRO 45 16.018 -5.189 -10.493 332 HD3 PRO 45 HD3 PRO 45 16.229 -4.628 -12.165 333 H THR 46 H THR 46 17.688 -0.520 -9.198 334 HA THR 46 HA THR 46 16.038 -0.782 -6.779 335 HB THR 46 HB THR 46 18.932 0.052 -7.052 336 HG1 THR 46 HG1 THR 46 18.635 -2.181 -7.340 337 HG21 THR 46 HG21 THR 46 18.859 -0.274 -4.517 338 HG22 THR 46 HG22 THR 46 17.106 -0.166 -4.673 339 HG23 THR 46 HG23 THR 46 18.120 1.192 -5.160 340 H CYS 47 H CYS 47 15.194 0.969 -5.766 341 HA CYS 47 HA CYS 47 15.493 3.547 -7.141 342 HB2 CYS 47 HB2 CYS 47 13.211 2.208 -6.519 343 HB3 CYS 47 HB3 CYS 47 13.374 3.247 -5.107 344 H VAL 48 H VAL 48 16.718 5.033 -6.210 345 HA VAL 48 HA VAL 48 17.161 4.884 -3.303 346 HB VAL 48 HB VAL 48 18.909 6.448 -5.173 347 HG11 VAL 48 HG11 VAL 48 19.648 6.975 -3.102 348 HG12 VAL 48 HG12 VAL 48 19.000 5.502 -2.377 349 HG13 VAL 48 HG13 VAL 48 20.520 5.452 -3.272 350 HG21 VAL 48 HG21 VAL 48 18.694 3.520 -4.936 351 HG22 VAL 48 HG22 VAL 48 19.325 4.510 -6.252 352 HG23 VAL 48 HG23 VAL 48 20.328 4.177 -4.840 353 H CYS 49 H CYS 49 17.053 6.750 -2.046 354 HA CYS 49 HA CYS 49 15.683 9.025 -3.326 355 HB2 CYS 49 HB2 CYS 49 15.011 7.450 -1.001 356 HB3 CYS 49 HB3 CYS 49 15.218 9.141 -0.556 357 H TYR 50 H TYR 50 15.983 11.119 -2.128 358 HA TYR 50 HA TYR 50 18.426 11.390 -0.605 359 HB2 TYR 50 HB2 TYR 50 18.157 12.645 -3.344 360 HB3 TYR 50 HB3 TYR 50 19.414 13.044 -2.179 361 HD1 TYR 50 HD1 TYR 50 18.227 10.586 -4.598 362 HD2 TYR 50 HD2 TYR 50 21.190 11.435 -1.665 363 HE1 TYR 50 HE1 TYR 50 19.615 8.757 -5.479 364 HE2 TYR 50 HE2 TYR 50 22.586 9.609 -2.539 365 HH TYR 50 HH TYR 50 22.885 8.224 -4.349 366 H ARG 51 H ARG 51 18.840 13.833 -0.202 367 HA ARG 51 HA ARG 51 18.083 15.681 0.897 368 HB2 ARG 51 HB2 ARG 51 16.012 15.627 -1.306 369 HB3 ARG 51 HB3 ARG 51 16.417 17.018 -0.309 370 HG2 ARG 51 HG2 ARG 51 18.853 16.343 -1.313 371 HG3 ARG 51 HG3 ARG 51 17.781 15.914 -2.647 372 HD2 ARG 51 HD2 ARG 51 17.286 18.059 -3.098 373 HD3 ARG 51 HD3 ARG 51 17.186 18.495 -1.393 374 HE ARG 51 HE ARG 51 19.865 18.108 -1.938 375 HH11 ARG 51 HH11 ARG 51 17.312 20.204 -3.036 376 HH12 ARG 51 HH12 ARG 51 18.376 21.520 -3.409 377 HH21 ARG 51 HH21 ARG 51 21.276 19.833 -2.425 378 HH22 ARG 51 HH22 ARG 51 20.630 21.307 -3.062 379 H CYS 52 H CYS 52 16.996 13.081 1.718 380 HA CYS 52 HA CYS 52 14.240 13.420 2.381 381 HB2 CYS 52 HB2 CYS 52 15.861 11.266 2.265 382 HB3 CYS 52 HB3 CYS 52 15.893 11.567 3.999 383 H ALA 53 H ALA 53 13.625 13.106 4.810 384 HA ALA 53 HA ALA 53 15.033 15.208 6.314 385 HB1 ALA 53 HB1 ALA 53 12.740 15.041 7.645 386 HB2 ALA 53 HB2 ALA 53 12.917 16.030 6.196 387 HB3 ALA 53 HB3 ALA 53 12.180 14.432 6.087 388 H ASN 54 H ASN 54 13.937 11.903 6.397 389 HA ASN 54 HA ASN 54 14.653 11.602 9.206 390 HB2 ASN 54 HB2 ASN 54 12.776 10.361 7.553 391 HB3 ASN 54 HB3 ASN 54 14.011 9.133 7.817 392 HD21 ASN 54 HD21 ASN 54 14.024 8.058 9.680 393 HD22 ASN 54 HD22 ASN 54 13.036 8.428 11.049 394 H GLY 55 H GLY 55 16.580 12.092 6.886 395 HA2 GLY 55 HA2 GLY 55 18.744 10.619 7.873 396 HA3 GLY 55 HA3 GLY 55 18.116 9.762 6.473 397 H GLY 56 H GLY 56 17.280 12.268 5.155 398 HA2 GLY 56 HA2 GLY 56 18.140 13.764 3.643 399 HA3 GLY 56 HA3 GLY 56 19.426 14.036 4.810 400 H GLY 57 H GLY 57 18.422 11.445 2.564 401 HA2 GLY 57 HA2 GLY 57 20.473 11.551 0.772 402 HA3 GLY 57 HA3 GLY 57 21.154 10.657 2.123 403 H ASP 58 H ASP 58 21.339 8.681 1.170 404 HA ASP 58 HA ASP 58 19.367 7.494 -0.468 405 HB2 ASP 58 HB2 ASP 58 20.648 5.362 0.023 406 HB3 ASP 58 HB3 ASP 58 21.594 6.680 -0.661 407 H ILE 59 H ILE 59 17.364 7.156 0.271 408 HA ILE 59 HA ILE 59 17.053 5.480 2.652 409 HB ILE 59 HB ILE 59 15.242 7.842 2.213 410 HG12 ILE 59 HG12 ILE 59 17.661 8.518 2.601 411 HG13 ILE 59 HG13 ILE 59 16.494 9.136 3.765 412 HG21 ILE 59 HG21 ILE 59 14.140 6.399 3.617 413 HG22 ILE 59 HG22 ILE 59 15.629 5.780 4.328 414 HG23 ILE 59 HG23 ILE 59 15.031 7.376 4.784 415 HD11 ILE 59 HD11 ILE 59 17.967 6.607 4.336 416 HD12 ILE 59 HD12 ILE 59 18.748 8.169 4.585 417 HD13 ILE 59 HD13 ILE 59 17.264 7.776 5.453 418 HA PRO 60 HA PRO 60 14.540 3.598 -0.599 419 HB2 PRO 60 HB2 PRO 60 14.391 1.179 0.624 420 HB3 PRO 60 HB3 PRO 60 15.793 1.692 -0.323 421 HG2 PRO 60 HG2 PRO 60 15.404 1.708 2.645 422 HG3 PRO 60 HG3 PRO 60 16.826 1.219 1.705 423 HD2 PRO 60 HD2 PRO 60 16.642 3.632 2.919 424 HD3 PRO 60 HD3 PRO 60 17.529 3.392 1.400 425 H LEU 61 H LEU 61 12.370 3.002 -0.718 426 HA LEU 61 HA LEU 61 10.572 4.186 1.000 427 HB2 LEU 61 HB2 LEU 61 10.374 2.023 -1.031 428 HB3 LEU 61 HB3 LEU 61 8.992 2.304 0.026 429 HG LEU 61 HG LEU 61 8.810 3.443 -2.161 430 HD11 LEU 61 HD11 LEU 61 8.762 4.860 0.441 431 HD12 LEU 61 HD12 LEU 61 7.454 4.515 -0.690 432 HD13 LEU 61 HD13 LEU 61 8.582 5.830 -1.021 433 HD21 LEU 61 HD21 LEU 61 10.212 5.400 -2.603 434 HD22 LEU 61 HD22 LEU 61 11.170 3.920 -2.530 435 HD23 LEU 61 HD23 LEU 61 11.168 5.039 -1.166 436 H GLY 62 H GLY 62 12.231 1.181 1.357 437 HA2 GLY 62 HA2 GLY 62 10.411 0.047 3.273 438 HA3 GLY 62 HA3 GLY 62 12.021 -0.543 2.885 439 H ALA 63 H ALA 63 13.344 1.979 3.425 440 HA ALA 63 HA ALA 63 13.642 1.667 6.270 441 HB1 ALA 63 HB1 ALA 63 15.444 3.294 6.057 442 HB2 ALA 63 HB2 ALA 63 15.588 2.029 4.836 443 HB3 ALA 63 HB3 ALA 63 14.966 3.618 4.390 444 H LEU 64 H LEU 64 11.943 3.795 4.145 445 HA LEU 64 HA LEU 64 11.552 5.817 6.203 446 HB2 LEU 64 HB2 LEU 64 11.162 5.629 3.301 447 HB3 LEU 64 HB3 LEU 64 9.911 6.533 4.151 448 HG LEU 64 HG LEU 64 12.757 7.214 4.697 449 HD11 LEU 64 HD11 LEU 64 12.092 6.985 2.109 450 HD12 LEU 64 HD12 LEU 64 13.190 8.220 2.724 451 HD13 LEU 64 HD13 LEU 64 11.497 8.615 2.426 452 HD21 LEU 64 HD21 LEU 64 10.171 8.283 5.233 453 HD22 LEU 64 HD22 LEU 64 11.071 9.439 4.251 454 HD23 LEU 64 HD23 LEU 64 11.745 8.865 5.777 455 H ILE 65 H ILE 65 10.346 2.897 5.868 456 HA ILE 65 HA ILE 65 7.547 3.214 5.785 457 HB ILE 65 HB ILE 65 9.228 1.051 7.052 458 HG12 ILE 65 HG12 ILE 65 7.717 1.187 4.434 459 HG13 ILE 65 HG13 ILE 65 9.466 1.232 4.624 460 HG21 ILE 65 HG21 ILE 65 7.153 -0.300 7.030 461 HG22 ILE 65 HG22 ILE 65 7.080 1.068 8.139 462 HG23 ILE 65 HG23 ILE 65 6.252 1.148 6.584 463 HD11 ILE 65 HD11 ILE 65 7.644 -1.077 5.249 464 HD12 ILE 65 HD12 ILE 65 8.794 -0.956 3.917 465 HD13 ILE 65 HD13 ILE 65 9.376 -1.042 5.579 466 H LYS 66 H LYS 66 6.190 4.051 7.216 467 HA LYS 66 HA LYS 66 7.137 4.500 9.961 468 HB2 LYS 66 HB2 LYS 66 4.794 5.781 8.545 469 HB3 LYS 66 HB3 LYS 66 5.444 6.233 10.115 470 HG2 LYS 66 HG2 LYS 66 7.302 7.247 9.206 471 HG3 LYS 66 HG3 LYS 66 7.205 6.319 7.707 472 HD2 LYS 66 HD2 LYS 66 5.107 8.326 8.492 473 HD3 LYS 66 HD3 LYS 66 6.555 8.781 7.591 474 HE2 LYS 66 HE2 LYS 66 5.632 6.590 6.212 475 HE3 LYS 66 HE3 LYS 66 4.144 7.399 6.700 476 HZ1 LYS 66 HZ1 LYS 66 5.003 8.152 4.534 477 HZ2 LYS 66 HZ2 LYS 66 6.395 8.733 5.298 478 HZ3 LYS 66 HZ3 LYS 66 4.888 9.409 5.661 479 H ARG 67 H ARG 67 5.521 2.209 8.392 480 HA ARG 67 HA ARG 67 4.107 0.543 9.026 481 HB2 ARG 67 HB2 ARG 67 5.134 1.619 11.516 482 HB3 ARG 67 HB3 ARG 67 3.498 1.006 11.711 483 HG2 ARG 67 HG2 ARG 67 5.263 -0.660 12.199 484 HG3 ARG 67 HG3 ARG 67 4.144 -1.159 10.929 485 HD2 ARG 67 HD2 ARG 67 5.790 -1.325 9.439 486 HD3 ARG 67 HD3 ARG 67 6.391 0.285 9.834 487 HE ARG 67 HE ARG 67 7.300 -1.191 11.889 488 HH11 ARG 67 HH11 ARG 67 7.436 -1.632 8.438 489 HH12 ARG 67 HH12 ARG 67 8.937 -2.496 8.477 490 HH21 ARG 67 HH21 ARG 67 9.277 -2.327 11.952 491 HH22 ARG 67 HH22 ARG 67 9.983 -2.892 10.476 492 H GLY 68 H GLY 68 3.232 3.436 8.418 493 HA2 GLY 68 HA2 GLY 68 0.416 3.001 9.177 494 HA3 GLY 68 HA3 GLY 68 1.156 4.584 9.371
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