NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583434 | 2mfj | 19552 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 0.943 -1.091 -18.699 2 H2 GLY 1 H2 GLY 1 1.275 -0.061 -17.399 3 H3 GLY 1 H3 GLY 1 1.353 0.523 -18.983 4 HA2 GLY 1 HA2 GLY 1 -1.006 0.218 -19.263 5 HA3 GLY 1 HA3 GLY 1 -1.098 -0.444 -17.639 6 H SER 2 H SER 2 -2.323 1.969 -18.922 7 HA SER 2 HA SER 2 -1.114 4.210 -17.625 8 HB2 SER 2 HB2 SER 2 -3.857 3.933 -18.879 9 HB3 SER 2 HB3 SER 2 -3.083 5.450 -18.415 10 HG SER 2 HG SER 2 -1.308 4.441 -19.877 11 H ALA 3 H ALA 3 -1.022 3.951 -15.461 12 HA ALA 3 HA ALA 3 -3.585 3.757 -14.053 13 HB1 ALA 3 HB1 ALA 3 -2.473 1.582 -13.921 14 HB2 ALA 3 HB2 ALA 3 -2.546 2.363 -12.342 15 HB3 ALA 3 HB3 ALA 3 -1.038 2.356 -13.254 16 H LEU 4 H LEU 4 -3.620 4.783 -12.041 17 HA LEU 4 HA LEU 4 -2.045 7.166 -11.968 18 HB2 LEU 4 HB2 LEU 4 -3.395 7.876 -10.136 19 HB3 LEU 4 HB3 LEU 4 -4.433 7.109 -11.314 20 HG LEU 4 HG LEU 4 -3.453 5.640 -8.872 21 HD11 LEU 4 HD11 LEU 4 -4.598 7.645 -8.104 22 HD12 LEU 4 HD12 LEU 4 -5.590 6.218 -7.809 23 HD13 LEU 4 HD13 LEU 4 -5.966 7.288 -9.160 24 HD21 LEU 4 HD21 LEU 4 -5.752 5.236 -10.792 25 HD22 LEU 4 HD22 LEU 4 -5.570 4.357 -9.277 26 HD23 LEU 4 HD23 LEU 4 -4.359 4.177 -10.543 27 H ASP 5 H ASP 5 -2.025 4.120 -10.192 28 HA ASP 5 HA ASP 5 0.467 5.007 -8.970 29 HB2 ASP 5 HB2 ASP 5 -0.150 4.036 -6.838 30 HB3 ASP 5 HB3 ASP 5 -1.354 5.232 -7.305 31 H PHE 6 H PHE 6 1.960 3.402 -8.623 32 HA PHE 6 HA PHE 6 1.370 0.797 -9.844 33 HB2 PHE 6 HB2 PHE 6 3.790 0.569 -10.186 34 HB3 PHE 6 HB3 PHE 6 3.211 2.061 -10.913 35 HD1 PHE 6 HD2 PHE 6 3.639 4.238 -9.722 36 HD2 PHE 6 HD1 PHE 6 5.461 0.580 -8.523 37 HE1 PHE 6 HE2 PHE 6 5.338 5.497 -8.468 38 HE2 PHE 6 HE1 PHE 6 7.161 1.836 -7.267 39 HZ PHE 6 HZ PHE 6 7.102 4.296 -7.238 40 H THR 7 H THR 7 2.118 2.435 -6.964 41 HA THR 7 HA THR 7 2.561 -0.093 -5.562 42 HB THR 7 HB THR 7 4.573 1.176 -5.379 43 HG1 THR 7 HG1 THR 7 4.206 0.376 -3.406 44 HG21 THR 7 HG21 THR 7 4.629 3.496 -4.591 45 HG22 THR 7 HG22 THR 7 2.866 3.518 -4.531 46 HG23 THR 7 HG23 THR 7 3.693 3.351 -6.080 47 H SER 8 H SER 8 1.583 -0.309 -3.521 48 HA SER 8 HA SER 8 -1.065 0.643 -3.418 49 HB2 SER 8 HB2 SER 8 0.478 -0.658 -1.173 50 HB3 SER 8 HB3 SER 8 -1.268 -0.667 -1.426 51 HG SER 8 HG SER 8 -0.417 -2.607 -2.137 52 H CYS 9 H CYS 9 1.888 1.945 -2.156 53 HA CYS 9 HA CYS 9 0.367 3.549 -0.233 54 HB2 CYS 9 HB2 CYS 9 3.237 2.730 -0.292 55 HB3 CYS 9 HB3 CYS 9 2.665 4.045 0.732 56 H ALA 10 H ALA 10 0.974 4.071 -3.232 57 HA ALA 10 HA ALA 10 2.503 6.430 -3.349 58 HB1 ALA 10 HB1 ALA 10 1.835 5.138 -5.332 59 HB2 ALA 10 HB2 ALA 10 1.407 6.843 -5.487 60 HB3 ALA 10 HB3 ALA 10 0.166 5.653 -5.095 61 H ARG 11 H ARG 11 -0.806 5.869 -2.457 62 HA ARG 11 HA ARG 11 -1.648 8.555 -2.592 63 HB2 ARG 11 HB2 ARG 11 -3.584 7.822 -1.121 64 HB3 ARG 11 HB3 ARG 11 -3.436 7.039 -2.683 65 HG2 ARG 11 HG2 ARG 11 -2.284 5.734 -0.267 66 HG3 ARG 11 HG3 ARG 11 -4.022 5.689 -0.535 67 HD2 ARG 11 HD2 ARG 11 -1.840 4.548 -2.265 68 HD3 ARG 11 HD3 ARG 11 -3.165 3.714 -1.473 69 HE ARG 11 HE ARG 11 -4.435 5.412 -3.142 70 HH11 ARG 11 HH11 ARG 11 -1.960 2.969 -3.573 71 HH12 ARG 11 HH12 ARG 11 -2.342 2.682 -5.239 72 HH21 ARG 11 HH21 ARG 11 -4.972 5.029 -5.322 73 HH22 ARG 11 HH22 ARG 11 -4.071 3.872 -6.251 74 H MET 12 H MET 12 0.509 7.131 -0.469 75 HA MET 12 HA MET 12 -0.053 8.310 1.987 76 HB2 MET 12 HB2 MET 12 2.237 8.051 2.557 77 HB3 MET 12 HB3 MET 12 1.852 6.715 1.481 78 HG2 MET 12 HG2 MET 12 3.095 7.571 -0.256 79 HG3 MET 12 HG3 MET 12 3.015 9.220 0.349 80 HE1 MET 12 HE1 MET 12 5.755 5.908 2.048 81 HE2 MET 12 HE2 MET 12 4.597 5.706 0.726 82 HE3 MET 12 HE3 MET 12 4.024 5.955 2.379 83 H ASN 13 H ASN 13 0.758 9.894 -1.003 84 HA ASN 13 HA ASN 13 1.467 12.300 0.520 85 HB2 ASN 13 HB2 ASN 13 2.561 13.166 -1.530 86 HB3 ASN 13 HB3 ASN 13 3.310 11.685 -0.957 87 HD21 ASN 13 HD21 ASN 13 3.368 9.939 -2.270 88 HD22 ASN 13 HD22 ASN 13 2.734 9.915 -3.877 89 H ASP 14 H ASP 14 -1.174 11.214 -0.019 90 HA ASP 14 HA ASP 14 -2.258 13.306 -1.787 91 HB2 ASP 14 HB2 ASP 14 -2.724 10.814 -2.328 92 HB3 ASP 14 HB3 ASP 14 -3.727 10.821 -0.892 93 H GLY 15 H GLY 15 -1.425 13.394 1.089 94 HA2 GLY 15 HA2 GLY 15 -2.260 14.880 2.706 95 HA3 GLY 15 HA3 GLY 15 -3.880 14.621 2.073 96 H ALA 16 H ALA 16 -3.882 14.562 4.641 97 HA ALA 16 HA ALA 16 -3.148 12.300 6.043 98 HB1 ALA 16 HB1 ALA 16 -4.000 14.340 7.092 99 HB2 ALA 16 HB2 ALA 16 -4.865 12.912 7.660 100 HB3 ALA 16 HB3 ALA 16 -5.612 13.983 6.473 101 H LEU 17 H LEU 17 -6.018 12.835 4.059 102 HA LEU 17 HA LEU 17 -7.382 10.450 4.740 103 HB2 LEU 17 HB2 LEU 17 -8.065 12.588 3.280 104 HB3 LEU 17 HB3 LEU 17 -7.541 11.553 1.969 105 HG LEU 17 HG LEU 17 -9.971 11.489 2.280 106 HD11 LEU 17 HD11 LEU 17 -8.898 9.536 1.348 107 HD12 LEU 17 HD12 LEU 17 -10.267 9.068 2.357 108 HD13 LEU 17 HD13 LEU 17 -8.620 8.892 2.966 109 HD21 LEU 17 HD21 LEU 17 -9.366 10.299 4.980 110 HD22 LEU 17 HD22 LEU 17 -10.961 10.478 4.251 111 HD23 LEU 17 HD23 LEU 17 -10.023 11.908 4.685 112 H GLY 18 H GLY 18 -5.073 11.290 2.215 113 HA2 GLY 18 HA2 GLY 18 -4.939 8.846 0.850 114 HA3 GLY 18 HA3 GLY 18 -3.653 10.033 0.949 115 H ALA 19 H ALA 19 -3.211 9.968 3.756 116 HA ALA 19 HA ALA 19 -1.391 7.909 3.993 117 HB1 ALA 19 HB1 ALA 19 -2.772 9.396 6.221 118 HB2 ALA 19 HB2 ALA 19 -1.353 9.960 5.338 119 HB3 ALA 19 HB3 ALA 19 -1.249 8.512 6.341 120 H LYS 20 H LYS 20 -4.737 8.074 5.166 121 HA LYS 20 HA LYS 20 -4.632 5.540 6.443 122 HB2 LYS 20 HB2 LYS 20 -6.772 7.471 5.806 123 HB3 LYS 20 HB3 LYS 20 -7.277 5.797 5.971 124 HG2 LYS 20 HG2 LYS 20 -7.543 6.717 8.102 125 HG3 LYS 20 HG3 LYS 20 -6.044 5.799 8.196 126 HD2 LYS 20 HD2 LYS 20 -5.662 7.870 9.289 127 HD3 LYS 20 HD3 LYS 20 -4.831 7.955 7.733 128 HE2 LYS 20 HE2 LYS 20 -6.009 10.029 8.189 129 HE3 LYS 20 HE3 LYS 20 -6.710 9.204 6.799 130 HZ1 LYS 20 HZ1 LYS 20 -8.510 8.414 8.187 131 HZ2 LYS 20 HZ2 LYS 20 -8.397 10.095 8.325 132 HZ3 LYS 20 HZ3 LYS 20 -7.806 9.106 9.560 133 H VAL 21 H VAL 21 -5.738 6.582 3.235 134 HA VAL 21 HA VAL 21 -6.671 4.078 2.400 135 HB VAL 21 HB VAL 21 -5.376 6.206 0.664 136 HG11 VAL 21 HG11 VAL 21 -5.655 4.081 -0.476 137 HG12 VAL 21 HG12 VAL 21 -6.800 5.264 -1.112 138 HG13 VAL 21 HG13 VAL 21 -7.347 4.015 0.011 139 HG21 VAL 21 HG21 VAL 21 -8.256 5.921 1.529 140 HG22 VAL 21 HG22 VAL 21 -7.667 7.044 0.304 141 HG23 VAL 21 HG23 VAL 21 -7.143 7.217 1.976 142 H ALA 22 H ALA 22 -3.525 5.604 2.168 143 HA ALA 22 HA ALA 22 -2.119 3.646 0.784 144 HB1 ALA 22 HB1 ALA 22 -1.019 5.411 2.968 145 HB2 ALA 22 HB2 ALA 22 -1.266 5.922 1.302 146 HB3 ALA 22 HB3 ALA 22 -0.106 4.644 1.671 147 H GLN 23 H GLN 23 -2.328 4.085 4.311 148 HA GLN 23 HA GLN 23 -0.803 1.801 4.929 149 HB2 GLN 23 HB2 GLN 23 -1.440 2.107 7.197 150 HB3 GLN 23 HB3 GLN 23 -1.338 3.710 6.489 151 HG2 GLN 23 HG2 GLN 23 -3.793 3.676 6.200 152 HG3 GLN 23 HG3 GLN 23 -3.807 2.137 7.067 153 HE21 GLN 23 HE21 GLN 23 -3.486 2.116 9.259 154 HE22 GLN 23 HE22 GLN 23 -3.479 3.549 10.227 155 H ALA 24 H ALA 24 -4.297 2.247 4.520 156 HA ALA 24 HA ALA 24 -5.077 -0.316 5.391 157 HB1 ALA 24 HB1 ALA 24 -6.647 1.548 5.143 158 HB2 ALA 24 HB2 ALA 24 -7.174 0.142 4.214 159 HB3 ALA 24 HB3 ALA 24 -6.420 1.509 3.394 160 H ALA 25 H ALA 25 -4.428 0.977 2.160 161 HA ALA 25 HA ALA 25 -4.878 -1.390 0.726 162 HB1 ALA 25 HB1 ALA 25 -4.743 0.819 -0.328 163 HB2 ALA 25 HB2 ALA 25 -3.628 -0.323 -1.079 164 HB3 ALA 25 HB3 ALA 25 -3.022 0.891 0.048 165 H CYS 26 H CYS 26 -2.040 -0.136 2.375 166 HA CYS 26 HA CYS 26 -0.216 -2.029 1.316 167 HB2 CYS 26 HB2 CYS 26 0.405 0.186 2.308 168 HB3 CYS 26 HB3 CYS 26 0.008 -0.471 3.894 169 H ILE 27 H ILE 27 -1.846 -1.746 4.473 170 HA ILE 27 HA ILE 27 -0.791 -4.073 5.603 171 HB ILE 27 HB ILE 27 -3.488 -2.814 6.141 172 HG12 ILE 27 HG12 ILE 27 -0.867 -2.396 7.604 173 HG13 ILE 27 HG13 ILE 27 -1.533 -1.283 6.422 174 HG21 ILE 27 HG21 ILE 27 -3.322 -3.910 8.343 175 HG22 ILE 27 HG22 ILE 27 -1.850 -4.722 7.807 176 HG23 ILE 27 HG23 ILE 27 -3.385 -5.060 7.011 177 HD11 ILE 27 HD11 ILE 27 -3.468 -0.927 7.850 178 HD12 ILE 27 HD12 ILE 27 -1.961 -0.539 8.682 179 HD13 ILE 27 HD13 ILE 27 -2.801 -2.050 9.036 180 H SER 28 H SER 28 -3.825 -3.620 3.807 181 HA SER 28 HA SER 28 -4.726 -6.237 4.030 182 HB2 SER 28 HB2 SER 28 -6.001 -5.718 1.900 183 HB3 SER 28 HB3 SER 28 -6.249 -4.601 3.241 184 HG SER 28 HG SER 28 -5.106 -3.079 2.220 185 H SER 29 H SER 29 -2.731 -4.780 1.454 186 HA SER 29 HA SER 29 -2.547 -7.112 -0.092 187 HB2 SER 29 HB2 SER 29 -0.606 -6.012 -1.181 188 HB3 SER 29 HB3 SER 29 -2.015 -4.962 -1.055 189 HG SER 29 HG SER 29 -0.589 -4.537 1.119 190 H CYS 30 H CYS 30 -0.704 -6.034 2.685 191 HA CYS 30 HA CYS 30 1.408 -7.875 2.375 192 HB2 CYS 30 HB2 CYS 30 0.373 -6.283 4.697 193 HB3 CYS 30 HB3 CYS 30 1.790 -7.329 4.818 194 H LYS 31 H LYS 31 -1.548 -7.897 4.304 195 HA LYS 31 HA LYS 31 -1.271 -10.344 5.547 196 HB2 LYS 31 HB2 LYS 31 -3.833 -9.214 4.425 197 HB3 LYS 31 HB3 LYS 31 -3.678 -10.334 5.772 198 HG2 LYS 31 HG2 LYS 31 -2.791 -8.674 7.193 199 HG3 LYS 31 HG3 LYS 31 -2.421 -7.616 5.839 200 HD2 LYS 31 HD2 LYS 31 -4.290 -6.614 6.674 201 HD3 LYS 31 HD3 LYS 31 -4.979 -7.655 5.439 202 HE2 LYS 31 HE2 LYS 31 -4.856 -8.256 8.400 203 HE3 LYS 31 HE3 LYS 31 -6.283 -7.747 7.504 204 HZ1 LYS 31 HZ1 LYS 31 -6.053 -9.808 6.172 205 HZ2 LYS 31 HZ2 LYS 31 -6.378 -10.090 7.801 206 HZ3 LYS 31 HZ3 LYS 31 -4.814 -10.313 7.212 207 H PHE 32 H PHE 32 -2.569 -9.645 2.310 208 HA PHE 32 HA PHE 32 -3.339 -12.232 1.640 209 HB2 PHE 32 HB2 PHE 32 -2.650 -9.785 0.088 210 HB3 PHE 32 HB3 PHE 32 -2.915 -11.293 -0.766 211 HD1 PHE 32 HD2 PHE 32 -5.135 -12.553 -0.121 212 HD2 PHE 32 HD1 PHE 32 -4.440 -8.407 0.532 213 HE1 PHE 32 HE2 PHE 32 -7.561 -12.169 -0.001 214 HE2 PHE 32 HE1 PHE 32 -6.864 -8.016 0.656 215 HZ PHE 32 HZ PHE 32 -8.428 -9.898 0.389 216 H GLN 33 H GLN 33 -0.169 -10.761 1.566 217 HA GLN 33 HA GLN 33 0.887 -13.107 0.169 218 HB2 GLN 33 HB2 GLN 33 3.008 -11.843 0.022 219 HB3 GLN 33 HB3 GLN 33 1.656 -11.027 -0.745 220 HG2 GLN 33 HG2 GLN 33 1.430 -9.609 1.240 221 HG3 GLN 33 HG3 GLN 33 2.851 -10.391 1.935 222 HE21 GLN 33 HE21 GLN 33 1.665 -8.225 -0.471 223 HE22 GLN 33 HE22 GLN 33 3.198 -7.567 -0.932 224 H ASN 34 H ASN 34 0.004 -12.781 3.077 225 HA ASN 34 HA ASN 34 0.444 -13.952 4.964 226 HB2 ASN 34 HB2 ASN 34 1.270 -15.750 3.441 227 HB3 ASN 34 HB3 ASN 34 2.884 -15.056 3.549 228 HD21 ASN 34 HD21 ASN 34 3.780 -16.865 4.469 229 HD22 ASN 34 HD22 ASN 34 3.437 -17.361 6.089 230 H CYS 35 H CYS 35 1.101 -11.360 4.923 231 HA CYS 35 HA CYS 35 3.531 -11.335 6.536 232 HB2 CYS 35 HB2 CYS 35 2.393 -9.219 4.723 233 HB3 CYS 35 HB3 CYS 35 3.663 -8.888 5.889 234 H GLY 36 H GLY 36 3.381 -10.548 8.507 235 HA2 GLY 36 HA2 GLY 36 0.972 -10.547 9.888 236 HA3 GLY 36 HA3 GLY 36 2.446 -9.803 10.485 237 H THR 37 H THR 37 2.712 -7.820 8.612 238 HA THR 37 HA THR 37 0.259 -6.323 8.474 239 HB THR 37 HB THR 37 0.957 -5.955 10.838 240 HG1 THR 37 HG1 THR 37 0.659 -3.717 10.756 241 HG21 THR 37 HG21 THR 37 3.389 -6.062 10.513 242 HG22 THR 37 HG22 THR 37 2.916 -4.568 11.321 243 HG23 THR 37 HG23 THR 37 3.331 -4.549 9.607 244 H GLY 38 H GLY 38 0.977 -3.930 7.967 245 HA2 GLY 38 HA2 GLY 38 3.219 -3.872 6.115 246 HA3 GLY 38 HA3 GLY 38 1.623 -3.657 5.395 247 H HIS 39 H HIS 39 3.896 -1.802 5.575 248 HA HIS 39 HA HIS 39 2.326 0.422 6.527 249 HB2 HIS 39 HB2 HIS 39 3.920 1.359 8.023 250 HB3 HIS 39 HB3 HIS 39 3.742 -0.319 8.500 251 HD1 HIS 39 HD1 HIS 39 5.859 -1.757 8.495 252 HD2 HIS 39 HD2 HIS 39 6.419 1.996 6.776 253 HE1 HIS 39 HE1 HIS 39 8.337 -1.494 8.240 254 HE2 HIS 39 HE2 HIS 39 8.665 0.725 7.105 255 H CYS 40 H CYS 40 2.913 2.369 5.628 256 HA CYS 40 HA CYS 40 4.223 2.018 3.092 257 HB2 CYS 40 HB2 CYS 40 2.989 4.486 4.295 258 HB3 CYS 40 HB3 CYS 40 3.477 4.244 2.618 259 H GLU 41 H GLU 41 6.251 2.392 2.703 260 HA GLU 41 HA GLU 41 7.702 4.227 4.467 261 HB2 GLU 41 HB2 GLU 41 8.050 1.759 4.938 262 HB3 GLU 41 HB3 GLU 41 8.777 1.644 3.348 263 HG2 GLU 41 HG2 GLU 41 10.541 3.146 4.013 264 HG3 GLU 41 HG3 GLU 41 9.780 3.371 5.591 265 H ARG 42 H ARG 42 9.066 5.607 3.379 266 HA ARG 42 HA ARG 42 8.913 5.473 0.480 267 HB2 ARG 42 HB2 ARG 42 9.311 7.632 2.421 268 HB3 ARG 42 HB3 ARG 42 10.315 7.753 0.982 269 HG2 ARG 42 HG2 ARG 42 8.264 7.509 -0.395 270 HG3 ARG 42 HG3 ARG 42 7.316 7.580 1.092 271 HD2 ARG 42 HD2 ARG 42 7.451 9.745 -0.058 272 HD3 ARG 42 HD3 ARG 42 8.160 9.798 1.556 273 HE ARG 42 HE ARG 42 10.300 9.322 0.034 274 HH11 ARG 42 HH11 ARG 42 7.681 11.617 -0.374 275 HH12 ARG 42 HH12 ARG 42 8.670 12.827 -1.112 276 HH21 ARG 42 HH21 ARG 42 11.638 10.951 -0.884 277 HH22 ARG 42 HH22 ARG 42 10.946 12.454 -1.384 278 H ARG 43 H ARG 43 10.430 4.795 -0.727 279 HA ARG 43 HA ARG 43 13.166 4.682 0.358 280 HB2 ARG 43 HB2 ARG 43 11.765 2.531 -1.230 281 HB3 ARG 43 HB3 ARG 43 13.475 2.520 -0.813 282 HG2 ARG 43 HG2 ARG 43 12.847 2.557 1.582 283 HG3 ARG 43 HG3 ARG 43 11.153 2.438 1.100 284 HD2 ARG 43 HD2 ARG 43 11.581 0.314 0.040 285 HD3 ARG 43 HD3 ARG 43 13.299 0.451 0.420 286 HE ARG 43 HE ARG 43 11.847 0.644 2.816 287 HH11 ARG 43 HH11 ARG 43 12.585 -1.742 0.356 288 HH12 ARG 43 HH12 ARG 43 12.455 -3.083 1.440 289 HH21 ARG 43 HH21 ARG 43 11.681 -1.111 4.250 290 HH22 ARG 43 HH22 ARG 43 11.946 -2.725 3.680 291 H GLY 44 H GLY 44 14.505 5.800 -0.826 292 HA2 GLY 44 HA2 GLY 44 15.362 7.045 -2.571 293 HA3 GLY 44 HA3 GLY 44 14.763 5.749 -3.600 294 H GLY 45 H GLY 45 12.989 8.101 -1.589 295 HA2 GLY 45 HA2 GLY 45 11.426 9.673 -2.149 296 HA3 GLY 45 HA3 GLY 45 12.047 9.628 -3.794 297 H ARG 46 H ARG 46 11.308 6.544 -3.176 298 HA ARG 46 HA ARG 46 8.737 6.819 -4.497 299 HB2 ARG 46 HB2 ARG 46 10.457 4.420 -3.984 300 HB3 ARG 46 HB3 ARG 46 8.963 4.414 -4.916 301 HG2 ARG 46 HG2 ARG 46 11.482 5.912 -5.574 302 HG3 ARG 46 HG3 ARG 46 10.890 4.456 -6.392 303 HD2 ARG 46 HD2 ARG 46 8.809 5.785 -6.940 304 HD3 ARG 46 HD3 ARG 46 9.667 7.208 -6.355 305 HE ARG 46 HE ARG 46 10.026 5.861 -8.850 306 HH11 ARG 46 HH11 ARG 46 11.675 7.853 -6.464 307 HH12 ARG 46 HH12 ARG 46 12.771 8.529 -7.616 308 HH21 ARG 46 HH21 ARG 46 11.481 6.763 -10.348 309 HH22 ARG 46 HH22 ARG 46 12.649 7.933 -9.825 310 HA PRO 47 HA PRO 47 6.782 5.892 -0.561 311 HB2 PRO 47 HB2 PRO 47 4.254 6.175 -1.465 312 HB3 PRO 47 HB3 PRO 47 5.289 7.553 -1.061 313 HG2 PRO 47 HG2 PRO 47 4.667 6.378 -3.743 314 HG3 PRO 47 HG3 PRO 47 4.738 8.083 -3.262 315 HD2 PRO 47 HD2 PRO 47 6.762 6.841 -4.549 316 HD3 PRO 47 HD3 PRO 47 7.030 8.149 -3.378 317 H THR 48 H THR 48 7.197 3.723 -0.342 318 HA THR 48 HA THR 48 5.755 1.907 -2.152 319 HB THR 48 HB THR 48 8.241 1.242 -0.571 320 HG1 THR 48 HG1 THR 48 8.345 3.046 -2.251 321 HG21 THR 48 HG21 THR 48 7.019 0.018 -3.052 322 HG22 THR 48 HG22 THR 48 6.911 -0.652 -1.424 323 HG23 THR 48 HG23 THR 48 8.476 -0.539 -2.227 324 H CYS 49 H CYS 49 4.801 0.029 -1.273 325 HA CYS 49 HA CYS 49 4.114 0.183 1.532 326 HB2 CYS 49 HB2 CYS 49 2.269 -0.281 0.092 327 HB3 CYS 49 HB3 CYS 49 3.170 -1.520 -0.775 328 H VAL 50 H VAL 50 5.398 -0.789 2.935 329 HA VAL 50 HA VAL 50 6.793 -3.183 2.009 330 HB VAL 50 HB VAL 50 8.603 -2.721 3.575 331 HG11 VAL 50 HG11 VAL 50 9.556 -0.757 2.471 332 HG12 VAL 50 HG12 VAL 50 7.965 -0.337 1.841 333 HG13 VAL 50 HG13 VAL 50 8.760 -1.819 1.309 334 HG21 VAL 50 HG21 VAL 50 8.711 -0.562 4.750 335 HG22 VAL 50 HG22 VAL 50 7.380 -1.578 5.307 336 HG23 VAL 50 HG23 VAL 50 7.061 -0.222 4.226 337 H CYS 51 H CYS 51 6.383 -4.987 2.999 338 HA CYS 51 HA CYS 51 4.477 -4.970 5.149 339 HB2 CYS 51 HB2 CYS 51 5.682 -7.331 3.720 340 HB3 CYS 51 HB3 CYS 51 4.275 -7.323 4.763 341 H SER 52 H SER 52 4.734 -5.788 7.131 342 HA SER 52 HA SER 52 7.503 -6.277 7.948 343 HB2 SER 52 HB2 SER 52 5.264 -5.215 9.679 344 HB3 SER 52 HB3 SER 52 6.985 -5.269 10.061 345 HG SER 52 HG SER 52 7.145 -3.904 8.046 346 H ARG 53 H ARG 53 7.905 -7.985 9.276 347 HA ARG 53 HA ARG 53 7.714 -10.057 10.128 348 HB2 ARG 53 HB2 ARG 53 4.883 -9.304 10.861 349 HB3 ARG 53 HB3 ARG 53 5.918 -10.482 11.656 350 HG2 ARG 53 HG2 ARG 53 6.300 -7.496 11.609 351 HG3 ARG 53 HG3 ARG 53 5.793 -8.477 12.985 352 HD2 ARG 53 HD2 ARG 53 7.915 -9.488 13.178 353 HD3 ARG 53 HD3 ARG 53 8.412 -8.939 11.580 354 HE ARG 53 HE ARG 53 7.896 -6.669 13.068 355 HH11 ARG 53 HH11 ARG 53 10.121 -9.381 13.233 356 HH12 ARG 53 HH12 ARG 53 11.389 -8.454 13.960 357 HH21 ARG 53 HH21 ARG 53 9.571 -5.456 14.023 358 HH22 ARG 53 HH22 ARG 53 11.076 -6.213 14.420 359 H CYS 54 H CYS 54 7.755 -10.534 7.791 360 HA CYS 54 HA CYS 54 5.311 -11.835 6.824 361 HB2 CYS 54 HB2 CYS 54 7.951 -11.357 5.427 362 HB3 CYS 54 HB3 CYS 54 6.546 -12.119 4.691 363 H GLY 55 H GLY 55 5.349 -14.084 6.087 364 HA2 GLY 55 HA2 GLY 55 6.538 -15.777 7.988 365 HA3 GLY 55 HA3 GLY 55 5.788 -16.279 6.476 366 H ASN 56 H ASN 56 7.282 -15.351 4.544 367 HA ASN 56 HA ASN 56 9.966 -16.421 5.097 368 HB2 ASN 56 HB2 ASN 56 8.629 -17.766 3.508 369 HB3 ASN 56 HB3 ASN 56 8.465 -16.351 2.473 370 HD21 ASN 56 HD21 ASN 56 9.527 -17.100 0.729 371 HD22 ASN 56 HD22 ASN 56 11.209 -17.496 0.711 372 H GLY 57 H GLY 57 11.134 -14.571 5.550 373 HA2 GLY 57 HA2 GLY 57 12.457 -13.126 3.832 374 HA3 GLY 57 HA3 GLY 57 10.896 -12.337 3.674 375 H GLY 58 H GLY 58 10.464 -12.922 6.649 376 HA2 GLY 58 HA2 GLY 58 11.009 -11.959 8.682 377 HA3 GLY 58 HA3 GLY 58 12.427 -11.240 7.928 378 H GLY 59 H GLY 59 12.390 -9.095 7.705 379 HA2 GLY 59 HA2 GLY 59 10.096 -7.691 6.789 380 HA3 GLY 59 HA3 GLY 59 10.333 -7.461 8.517 381 H GLU 60 H GLU 60 12.393 -6.615 9.220 382 HA GLU 60 HA GLU 60 14.164 -5.427 7.310 383 HB2 GLU 60 HB2 GLU 60 13.791 -3.096 7.926 384 HB3 GLU 60 HB3 GLU 60 12.339 -3.793 7.229 385 HG2 GLU 60 HG2 GLU 60 11.453 -4.110 9.521 386 HG3 GLU 60 HG3 GLU 60 12.875 -3.269 10.140 387 H TRP 61 H TRP 61 16.046 -4.534 8.282 388 HA TRP 61 HA TRP 61 16.374 -4.791 11.154 389 HB2 TRP 61 HB2 TRP 61 18.181 -6.266 9.215 390 HB3 TRP 61 HB3 TRP 61 18.317 -6.246 10.969 391 HD1 TRP 61 HD1 TRP 61 16.379 -7.583 12.320 392 HE1 TRP 61 HE1 TRP 61 15.008 -9.665 11.645 393 HE3 TRP 61 HE3 TRP 61 17.141 -7.433 7.289 394 HZ2 TRP 61 HZ2 TRP 61 14.339 -11.041 9.282 395 HZ3 TRP 61 HZ3 TRP 61 16.100 -9.160 5.884 396 HH2 TRP 61 HH2 TRP 61 14.728 -10.927 6.864 397 HA PRO 62 HA PRO 62 18.545 -1.201 9.112 398 HB2 PRO 62 HB2 PRO 62 17.637 0.228 11.520 399 HB3 PRO 62 HB3 PRO 62 17.386 0.634 9.819 400 HG2 PRO 62 HG2 PRO 62 15.375 -0.238 11.378 401 HG3 PRO 62 HG3 PRO 62 15.473 -0.653 9.656 402 HD2 PRO 62 HD2 PRO 62 16.201 -2.303 12.049 403 HD3 PRO 62 HD3 PRO 62 15.340 -2.784 10.570 404 H ASN 63 H ASN 63 18.474 -2.262 12.443 405 HA ASN 63 HA ASN 63 21.102 -1.106 13.006 406 HB2 ASN 63 HB2 ASN 63 20.726 -1.762 15.297 407 HB3 ASN 63 HB3 ASN 63 19.266 -0.985 14.693 408 HD21 ASN 63 HD21 ASN 63 20.713 -3.970 15.702 409 HD22 ASN 63 HD22 ASN 63 19.242 -4.870 15.809 410 H LEU 64 H LEU 64 19.741 -4.029 11.943 411 HA LEU 64 HA LEU 64 20.449 -6.133 11.646 412 HB2 LEU 64 HB2 LEU 64 23.137 -4.780 11.754 413 HB3 LEU 64 HB3 LEU 64 22.940 -6.478 11.382 414 HG LEU 64 HG LEU 64 21.314 -5.558 9.546 415 HD11 LEU 64 HD11 LEU 64 22.085 -3.450 8.585 416 HD12 LEU 64 HD12 LEU 64 23.170 -3.229 9.956 417 HD13 LEU 64 HD13 LEU 64 21.424 -3.233 10.205 418 HD21 LEU 64 HD21 LEU 64 23.195 -5.537 7.958 419 HD22 LEU 64 HD22 LEU 64 23.289 -6.884 9.092 420 HD23 LEU 64 HD23 LEU 64 24.317 -5.469 9.316 421 HA PRO 65 HA PRO 65 21.039 -7.011 16.075 422 HB2 PRO 65 HB2 PRO 65 19.003 -8.728 16.331 423 HB3 PRO 65 HB3 PRO 65 18.736 -6.982 16.291 424 HG2 PRO 65 HG2 PRO 65 18.384 -8.998 14.112 425 HG3 PRO 65 HG3 PRO 65 17.344 -7.631 14.550 426 HD2 PRO 65 HD2 PRO 65 19.164 -7.586 12.492 427 HD3 PRO 65 HD3 PRO 65 18.600 -6.140 13.350 428 H SER 66 H SER 66 20.771 -9.403 17.086 429 HA SER 66 HA SER 66 22.760 -10.972 15.705 430 HB2 SER 66 HB2 SER 66 22.587 -12.398 17.798 431 HB3 SER 66 HB3 SER 66 23.111 -10.733 18.043 432 HG SER 66 HG SER 66 21.298 -11.780 19.381 433 H ARG 67 H ARG 67 22.368 -13.456 15.945 434 HA ARG 67 HA ARG 67 20.035 -14.029 14.341 435 HB2 ARG 67 HB2 ARG 67 22.502 -14.992 14.200 436 HB3 ARG 67 HB3 ARG 67 21.840 -16.184 15.308 437 HG2 ARG 67 HG2 ARG 67 21.642 -17.051 13.107 438 HG3 ARG 67 HG3 ARG 67 20.023 -16.598 13.645 439 HD2 ARG 67 HD2 ARG 67 21.770 -14.770 12.048 440 HD3 ARG 67 HD3 ARG 67 20.670 -15.917 11.279 441 HE ARG 67 HE ARG 67 18.929 -14.665 12.731 442 HH11 ARG 67 HH11 ARG 67 21.725 -13.211 11.192 443 HH12 ARG 67 HH12 ARG 67 20.994 -11.652 11.055 444 HH21 ARG 67 HH21 ARG 67 17.967 -12.591 12.553 445 HH22 ARG 67 HH22 ARG 67 18.865 -11.292 11.834 446 H GLY 68 H GLY 68 21.399 -15.228 17.396 447 HA2 GLY 68 HA2 GLY 68 18.813 -15.442 18.586 448 HA3 GLY 68 HA3 GLY 68 19.496 -17.008 18.160 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -7.066 -3.218 -16.369 2 H2 GLY 1 H2 GLY 1 -6.867 -1.771 -17.227 3 H3 GLY 1 H3 GLY 1 -7.985 -1.860 -15.965 4 HA2 GLY 1 HA2 GLY 1 -6.222 -2.184 -14.368 5 HA3 GLY 1 HA3 GLY 1 -5.051 -2.118 -15.679 6 H SER 2 H SER 2 -7.442 -0.262 -13.882 7 HA SER 2 HA SER 2 -6.225 2.191 -14.925 8 HB2 SER 2 HB2 SER 2 -8.388 3.199 -13.887 9 HB3 SER 2 HB3 SER 2 -8.489 2.339 -15.424 10 HG SER 2 HG SER 2 -9.486 1.653 -12.928 11 H ALA 3 H ALA 3 -4.525 2.529 -13.556 12 HA ALA 3 HA ALA 3 -5.221 2.994 -10.748 13 HB1 ALA 3 HB1 ALA 3 -3.950 0.912 -10.940 14 HB2 ALA 3 HB2 ALA 3 -3.016 2.156 -10.106 15 HB3 ALA 3 HB3 ALA 3 -2.668 1.771 -11.793 16 H LEU 4 H LEU 4 -4.199 4.859 -9.778 17 HA LEU 4 HA LEU 4 -3.148 6.726 -11.739 18 HB2 LEU 4 HB2 LEU 4 -3.814 8.404 -10.254 19 HB3 LEU 4 HB3 LEU 4 -5.124 7.241 -10.275 20 HG LEU 4 HG LEU 4 -3.040 7.319 -8.092 21 HD11 LEU 4 HD11 LEU 4 -5.771 8.603 -8.134 22 HD12 LEU 4 HD12 LEU 4 -4.226 9.449 -8.155 23 HD13 LEU 4 HD13 LEU 4 -4.698 8.507 -6.740 24 HD21 LEU 4 HD21 LEU 4 -5.715 5.959 -8.388 25 HD22 LEU 4 HD22 LEU 4 -4.930 6.185 -6.829 26 HD23 LEU 4 HD23 LEU 4 -4.140 5.220 -8.072 27 H ASP 5 H ASP 5 -2.038 4.484 -10.074 28 HA ASP 5 HA ASP 5 0.457 5.734 -9.409 29 HB2 ASP 5 HB2 ASP 5 0.577 4.829 -7.105 30 HB3 ASP 5 HB3 ASP 5 -0.636 6.081 -7.310 31 H PHE 6 H PHE 6 2.143 4.164 -8.807 32 HA PHE 6 HA PHE 6 1.658 1.609 -10.145 33 HB2 PHE 6 HB2 PHE 6 4.110 1.461 -10.379 34 HB3 PHE 6 HB3 PHE 6 3.494 2.945 -11.088 35 HD1 PHE 6 HD2 PHE 6 3.834 5.110 -9.889 36 HD2 PHE 6 HD1 PHE 6 5.674 1.494 -8.602 37 HE1 PHE 6 HE2 PHE 6 5.447 6.406 -8.559 38 HE2 PHE 6 HE1 PHE 6 7.289 2.786 -7.270 39 HZ PHE 6 HZ PHE 6 7.177 5.244 -7.248 40 H THR 7 H THR 7 2.245 3.091 -7.156 41 HA THR 7 HA THR 7 2.537 0.482 -5.872 42 HB THR 7 HB THR 7 4.648 1.558 -5.576 43 HG1 THR 7 HG1 THR 7 4.274 0.710 -3.649 44 HG21 THR 7 HG21 THR 7 3.961 3.847 -6.142 45 HG22 THR 7 HG22 THR 7 4.887 3.806 -4.642 46 HG23 THR 7 HG23 THR 7 3.133 3.978 -4.590 47 H SER 8 H SER 8 1.190 0.072 -4.212 48 HA SER 8 HA SER 8 -1.210 1.454 -3.963 49 HB2 SER 8 HB2 SER 8 0.032 -0.464 -1.988 50 HB3 SER 8 HB3 SER 8 -1.674 -0.029 -2.080 51 HG SER 8 HG SER 8 -0.349 -1.903 -3.453 52 H CYS 9 H CYS 9 1.805 2.203 -2.486 53 HA CYS 9 HA CYS 9 0.433 3.664 -0.365 54 HB2 CYS 9 HB2 CYS 9 3.269 2.754 -0.641 55 HB3 CYS 9 HB3 CYS 9 2.795 3.969 0.541 56 H ALA 10 H ALA 10 1.127 4.388 -3.364 57 HA ALA 10 HA ALA 10 2.637 6.768 -3.212 58 HB1 ALA 10 HB1 ALA 10 1.681 7.324 -5.389 59 HB2 ALA 10 HB2 ALA 10 0.473 6.054 -5.188 60 HB3 ALA 10 HB3 ALA 10 2.178 5.632 -5.330 61 H ARG 11 H ARG 11 -0.705 6.071 -2.530 62 HA ARG 11 HA ARG 11 -1.619 8.738 -2.614 63 HB2 ARG 11 HB2 ARG 11 -3.501 7.724 -1.060 64 HB3 ARG 11 HB3 ARG 11 -3.453 7.417 -2.782 65 HG2 ARG 11 HG2 ARG 11 -2.029 5.470 -1.098 66 HG3 ARG 11 HG3 ARG 11 -3.783 5.525 -0.909 67 HD2 ARG 11 HD2 ARG 11 -3.660 5.537 -3.582 68 HD3 ARG 11 HD3 ARG 11 -2.140 4.705 -3.246 69 HE ARG 11 HE ARG 11 -4.136 3.524 -1.699 70 HH11 ARG 11 HH11 ARG 11 -3.221 3.780 -5.106 71 HH12 ARG 11 HH12 ARG 11 -4.042 2.323 -5.542 72 HH21 ARG 11 HH21 ARG 11 -5.235 1.601 -2.323 73 HH22 ARG 11 HH22 ARG 11 -5.189 1.093 -3.975 74 H MET 12 H MET 12 0.458 7.263 -0.450 75 HA MET 12 HA MET 12 -0.235 8.390 2.018 76 HB2 MET 12 HB2 MET 12 2.026 8.101 2.715 77 HB3 MET 12 HB3 MET 12 1.703 6.785 1.594 78 HG2 MET 12 HG2 MET 12 3.019 7.712 -0.075 79 HG3 MET 12 HG3 MET 12 2.946 9.325 0.622 80 HE1 MET 12 HE1 MET 12 3.766 5.943 2.516 81 HE2 MET 12 HE2 MET 12 5.519 5.875 2.307 82 HE3 MET 12 HE3 MET 12 4.457 5.739 0.905 83 H ASN 13 H ASN 13 0.614 9.989 -0.892 84 HA ASN 13 HA ASN 13 1.435 12.414 0.563 85 HB2 ASN 13 HB2 ASN 13 1.899 11.692 -2.340 86 HB3 ASN 13 HB3 ASN 13 2.398 13.191 -1.569 87 HD21 ASN 13 HD21 ASN 13 3.130 9.924 -2.162 88 HD22 ASN 13 HD22 ASN 13 4.634 9.877 -1.307 89 H ASP 14 H ASP 14 -1.311 11.320 0.016 90 HA ASP 14 HA ASP 14 -2.329 13.446 -1.751 91 HB2 ASP 14 HB2 ASP 14 -2.817 10.982 -2.313 92 HB3 ASP 14 HB3 ASP 14 -3.832 10.966 -0.885 93 H GLY 15 H GLY 15 -1.570 13.490 1.180 94 HA2 GLY 15 HA2 GLY 15 -2.479 14.977 2.756 95 HA3 GLY 15 HA3 GLY 15 -4.079 14.647 2.112 96 H ALA 16 H ALA 16 -4.055 14.590 4.690 97 HA ALA 16 HA ALA 16 -3.256 12.384 6.096 98 HB1 ALA 16 HB1 ALA 16 -4.227 14.377 7.114 99 HB2 ALA 16 HB2 ALA 16 -5.026 12.910 7.682 100 HB3 ALA 16 HB3 ALA 16 -5.811 13.931 6.479 101 H LEU 17 H LEU 17 -6.150 12.704 4.081 102 HA LEU 17 HA LEU 17 -7.305 10.220 4.873 103 HB2 LEU 17 HB2 LEU 17 -8.257 12.344 3.526 104 HB3 LEU 17 HB3 LEU 17 -7.841 11.331 2.161 105 HG LEU 17 HG LEU 17 -10.197 11.117 2.726 106 HD11 LEU 17 HD11 LEU 17 -9.109 9.173 1.784 107 HD12 LEU 17 HD12 LEU 17 -10.359 8.696 2.933 108 HD13 LEU 17 HD13 LEU 17 -8.659 8.623 3.399 109 HD21 LEU 17 HD21 LEU 17 -10.923 10.140 4.838 110 HD22 LEU 17 HD22 LEU 17 -10.058 11.655 5.099 111 HD23 LEU 17 HD23 LEU 17 -9.256 10.117 5.408 112 H GLY 18 H GLY 18 -5.214 11.268 2.235 113 HA2 GLY 18 HA2 GLY 18 -5.065 8.894 0.733 114 HA3 GLY 18 HA3 GLY 18 -3.819 10.124 0.839 115 H ALA 19 H ALA 19 -3.168 9.992 3.523 116 HA ALA 19 HA ALA 19 -1.326 7.919 3.615 117 HB1 ALA 19 HB1 ALA 19 -1.182 9.985 4.945 118 HB2 ALA 19 HB2 ALA 19 -0.972 8.534 5.925 119 HB3 ALA 19 HB3 ALA 19 -2.506 9.403 5.954 120 H LYS 20 H LYS 20 -4.584 8.103 4.964 121 HA LYS 20 HA LYS 20 -4.417 5.593 6.293 122 HB2 LYS 20 HB2 LYS 20 -6.454 7.631 5.894 123 HB3 LYS 20 HB3 LYS 20 -7.117 6.007 5.802 124 HG2 LYS 20 HG2 LYS 20 -7.290 6.775 8.066 125 HG3 LYS 20 HG3 LYS 20 -6.074 5.500 7.997 126 HD2 LYS 20 HD2 LYS 20 -5.194 7.217 9.388 127 HD3 LYS 20 HD3 LYS 20 -4.337 7.324 7.849 128 HE2 LYS 20 HE2 LYS 20 -5.817 9.143 7.157 129 HE3 LYS 20 HE3 LYS 20 -6.671 9.030 8.695 130 HZ1 LYS 20 HZ1 LYS 20 -5.124 10.799 8.838 131 HZ2 LYS 20 HZ2 LYS 20 -3.858 9.850 8.255 132 HZ3 LYS 20 HZ3 LYS 20 -4.507 9.541 9.782 133 H VAL 21 H VAL 21 -5.707 6.627 3.151 134 HA VAL 21 HA VAL 21 -6.697 4.157 2.307 135 HB VAL 21 HB VAL 21 -5.391 6.320 0.615 136 HG11 VAL 21 HG11 VAL 21 -7.296 4.125 -0.166 137 HG12 VAL 21 HG12 VAL 21 -5.583 4.200 -0.571 138 HG13 VAL 21 HG13 VAL 21 -6.700 5.400 -1.229 139 HG21 VAL 21 HG21 VAL 21 -7.686 7.104 0.228 140 HG22 VAL 21 HG22 VAL 21 -7.231 7.204 1.928 141 HG23 VAL 21 HG23 VAL 21 -8.283 5.901 1.372 142 H ALA 22 H ALA 22 -3.517 5.600 1.907 143 HA ALA 22 HA ALA 22 -2.235 3.573 0.511 144 HB1 ALA 22 HB1 ALA 22 -1.052 5.440 2.561 145 HB2 ALA 22 HB2 ALA 22 -1.259 5.779 0.843 146 HB3 ALA 22 HB3 ALA 22 -0.142 4.518 1.366 147 H GLN 23 H GLN 23 -2.315 4.068 4.044 148 HA GLN 23 HA GLN 23 -0.776 1.783 4.634 149 HB2 GLN 23 HB2 GLN 23 -1.225 2.161 6.900 150 HB3 GLN 23 HB3 GLN 23 -1.321 3.757 6.175 151 HG2 GLN 23 HG2 GLN 23 -3.755 3.608 6.168 152 HG3 GLN 23 HG3 GLN 23 -3.648 2.003 6.890 153 HE21 GLN 23 HE21 GLN 23 -3.011 1.801 9.022 154 HE22 GLN 23 HE22 GLN 23 -3.025 3.130 10.123 155 H ALA 24 H ALA 24 -4.267 2.243 4.284 156 HA ALA 24 HA ALA 24 -5.082 -0.262 5.250 157 HB1 ALA 24 HB1 ALA 24 -6.369 1.517 3.176 158 HB2 ALA 24 HB2 ALA 24 -6.630 1.595 4.920 159 HB3 ALA 24 HB3 ALA 24 -7.158 0.179 4.011 160 H ALA 25 H ALA 25 -4.391 0.876 1.976 161 HA ALA 25 HA ALA 25 -4.885 -1.547 0.648 162 HB1 ALA 25 HB1 ALA 25 -4.716 0.633 -0.477 163 HB2 ALA 25 HB2 ALA 25 -3.666 -0.577 -1.210 164 HB3 ALA 25 HB3 ALA 25 -2.985 0.655 -0.147 165 H CYS 26 H CYS 26 -2.045 -0.297 2.301 166 HA CYS 26 HA CYS 26 -0.258 -2.250 1.261 167 HB2 CYS 26 HB2 CYS 26 0.380 0.027 2.157 168 HB3 CYS 26 HB3 CYS 26 0.087 -0.611 3.771 169 H ILE 27 H ILE 27 -1.833 -1.820 4.438 170 HA ILE 27 HA ILE 27 -0.823 -4.141 5.623 171 HB ILE 27 HB ILE 27 -3.469 -2.781 6.151 172 HG12 ILE 27 HG12 ILE 27 -0.843 -2.449 7.614 173 HG13 ILE 27 HG13 ILE 27 -1.414 -1.345 6.373 174 HG21 ILE 27 HG21 ILE 27 -3.353 -3.837 8.362 175 HG22 ILE 27 HG22 ILE 27 -1.883 -4.683 7.876 176 HG23 ILE 27 HG23 ILE 27 -3.410 -5.035 7.067 177 HD11 ILE 27 HD11 ILE 27 -2.792 -1.928 8.985 178 HD12 ILE 27 HD12 ILE 27 -3.351 -0.802 7.747 179 HD13 ILE 27 HD13 ILE 27 -1.842 -0.492 8.606 180 H SER 28 H SER 28 -3.876 -3.692 3.844 181 HA SER 28 HA SER 28 -4.810 -6.287 4.170 182 HB2 SER 28 HB2 SER 28 -6.109 -5.829 2.050 183 HB3 SER 28 HB3 SER 28 -6.300 -4.632 3.330 184 HG SER 28 HG SER 28 -5.246 -3.181 2.171 185 H SER 29 H SER 29 -2.827 -4.938 1.531 186 HA SER 29 HA SER 29 -2.697 -7.325 0.065 187 HB2 SER 29 HB2 SER 29 -0.675 -6.251 -1.020 188 HB3 SER 29 HB3 SER 29 -2.173 -5.323 -1.083 189 HG SER 29 HG SER 29 -1.398 -3.948 0.430 190 H CYS 30 H CYS 30 -0.738 -6.130 2.746 191 HA CYS 30 HA CYS 30 1.313 -8.049 2.479 192 HB2 CYS 30 HB2 CYS 30 0.339 -6.408 4.809 193 HB3 CYS 30 HB3 CYS 30 1.762 -7.444 4.894 194 H LYS 31 H LYS 31 -1.623 -7.909 4.454 195 HA LYS 31 HA LYS 31 -1.444 -10.320 5.773 196 HB2 LYS 31 HB2 LYS 31 -3.856 -8.895 4.667 197 HB3 LYS 31 HB3 LYS 31 -3.959 -10.271 5.755 198 HG2 LYS 31 HG2 LYS 31 -3.139 -9.068 7.558 199 HG3 LYS 31 HG3 LYS 31 -2.364 -7.869 6.524 200 HD2 LYS 31 HD2 LYS 31 -4.294 -6.743 6.123 201 HD3 LYS 31 HD3 LYS 31 -5.331 -8.144 6.444 202 HE2 LYS 31 HE2 LYS 31 -3.768 -6.583 8.509 203 HE3 LYS 31 HE3 LYS 31 -5.497 -6.419 8.202 204 HZ1 LYS 31 HZ1 LYS 31 -5.806 -8.714 8.882 205 HZ2 LYS 31 HZ2 LYS 31 -5.040 -7.848 10.109 206 HZ3 LYS 31 HZ3 LYS 31 -4.145 -8.899 9.141 207 H PHE 32 H PHE 32 -2.807 -9.722 2.533 208 HA PHE 32 HA PHE 32 -3.660 -12.292 1.971 209 HB2 PHE 32 HB2 PHE 32 -2.808 -9.980 0.285 210 HB3 PHE 32 HB3 PHE 32 -3.205 -11.514 -0.466 211 HD1 PHE 32 HD2 PHE 32 -5.510 -12.539 0.250 212 HD2 PHE 32 HD1 PHE 32 -4.471 -8.438 0.658 213 HE1 PHE 32 HE2 PHE 32 -7.896 -11.947 0.343 214 HE2 PHE 32 HE1 PHE 32 -6.853 -7.839 0.754 215 HZ PHE 32 HZ PHE 32 -8.568 -9.594 0.596 216 H GLN 33 H GLN 33 -0.427 -10.971 1.838 217 HA GLN 33 HA GLN 33 0.527 -13.414 0.529 218 HB2 GLN 33 HB2 GLN 33 2.683 -12.226 0.292 219 HB3 GLN 33 HB3 GLN 33 1.346 -11.364 -0.455 220 HG2 GLN 33 HG2 GLN 33 1.214 -10.004 1.647 221 HG3 GLN 33 HG3 GLN 33 2.758 -10.724 2.110 222 HE21 GLN 33 HE21 GLN 33 1.125 -8.564 -0.007 223 HE22 GLN 33 HE22 GLN 33 2.527 -7.811 -0.680 224 H ASN 34 H ASN 34 -0.340 -12.933 3.430 225 HA ASN 34 HA ASN 34 0.066 -13.929 5.414 226 HB2 ASN 34 HB2 ASN 34 0.797 -15.878 3.946 227 HB3 ASN 34 HB3 ASN 34 2.450 -15.329 4.195 228 HD21 ASN 34 HD21 ASN 34 3.111 -17.130 5.319 229 HD22 ASN 34 HD22 ASN 34 2.536 -17.514 6.908 230 H CYS 35 H CYS 35 1.053 -11.379 5.032 231 HA CYS 35 HA CYS 35 3.545 -11.446 6.557 232 HB2 CYS 35 HB2 CYS 35 2.322 -9.362 4.771 233 HB3 CYS 35 HB3 CYS 35 3.584 -8.951 5.924 234 H GLY 36 H GLY 36 3.647 -10.511 8.519 235 HA2 GLY 36 HA2 GLY 36 1.315 -10.471 10.070 236 HA3 GLY 36 HA3 GLY 36 2.869 -9.834 10.571 237 H THR 37 H THR 37 3.174 -7.727 8.798 238 HA THR 37 HA THR 37 0.794 -6.089 8.973 239 HB THR 37 HB THR 37 1.588 -5.814 11.233 240 HG1 THR 37 HG1 THR 37 2.538 -3.473 9.958 241 HG21 THR 37 HG21 THR 37 3.845 -4.940 11.719 242 HG22 THR 37 HG22 THR 37 4.245 -5.062 10.004 243 HG23 THR 37 HG23 THR 37 3.902 -6.518 10.935 244 H GLY 38 H GLY 38 0.777 -4.471 7.540 245 HA2 GLY 38 HA2 GLY 38 3.236 -4.033 5.987 246 HA3 GLY 38 HA3 GLY 38 1.603 -3.815 5.370 247 H HIS 39 H HIS 39 3.889 -1.960 5.445 248 HA HIS 39 HA HIS 39 2.354 0.267 6.451 249 HB2 HIS 39 HB2 HIS 39 3.996 1.196 7.889 250 HB3 HIS 39 HB3 HIS 39 3.850 -0.485 8.366 251 HD1 HIS 39 HD1 HIS 39 5.952 -1.945 8.150 252 HD2 HIS 39 HD2 HIS 39 6.437 1.900 6.667 253 HE1 HIS 39 HE1 HIS 39 8.427 -1.663 7.789 254 HE2 HIS 39 HE2 HIS 39 8.709 0.741 7.116 255 H CYS 40 H CYS 40 2.876 2.197 5.497 256 HA CYS 40 HA CYS 40 4.205 1.873 2.951 257 HB2 CYS 40 HB2 CYS 40 2.782 4.264 4.123 258 HB3 CYS 40 HB3 CYS 40 3.385 4.119 2.475 259 H GLU 41 H GLU 41 6.218 2.405 2.567 260 HA GLU 41 HA GLU 41 7.505 4.303 4.392 261 HB2 GLU 41 HB2 GLU 41 7.965 1.891 4.976 262 HB3 GLU 41 HB3 GLU 41 8.760 1.735 3.422 263 HG2 GLU 41 HG2 GLU 41 10.449 3.301 4.070 264 HG3 GLU 41 HG3 GLU 41 9.596 3.652 5.575 265 H ARG 42 H ARG 42 8.994 5.675 3.386 266 HA ARG 42 HA ARG 42 8.944 5.581 0.485 267 HB2 ARG 42 HB2 ARG 42 9.753 7.710 2.441 268 HB3 ARG 42 HB3 ARG 42 10.190 7.814 0.745 269 HG2 ARG 42 HG2 ARG 42 7.784 7.621 0.188 270 HG3 ARG 42 HG3 ARG 42 7.423 7.750 1.916 271 HD2 ARG 42 HD2 ARG 42 7.217 9.947 1.192 272 HD3 ARG 42 HD3 ARG 42 8.881 9.896 1.775 273 HE ARG 42 HE ARG 42 8.633 9.309 -1.023 274 HH11 ARG 42 HH11 ARG 42 8.947 11.881 1.349 275 HH12 ARG 42 HH12 ARG 42 9.536 13.041 0.208 276 HH21 ARG 42 HH21 ARG 42 9.379 10.864 -2.543 277 HH22 ARG 42 HH22 ARG 42 9.775 12.462 -2.013 278 H ARG 43 H ARG 43 10.480 4.887 -0.656 279 HA ARG 43 HA ARG 43 13.186 4.718 0.477 280 HB2 ARG 43 HB2 ARG 43 11.825 2.554 -1.146 281 HB3 ARG 43 HB3 ARG 43 13.498 2.524 -0.593 282 HG2 ARG 43 HG2 ARG 43 12.597 2.703 1.756 283 HG3 ARG 43 HG3 ARG 43 11.001 2.416 1.071 284 HD2 ARG 43 HD2 ARG 43 11.695 0.272 0.238 285 HD3 ARG 43 HD3 ARG 43 13.357 0.573 0.764 286 HE ARG 43 HE ARG 43 11.736 0.846 3.005 287 HH11 ARG 43 HH11 ARG 43 12.625 -1.733 0.790 288 HH12 ARG 43 HH12 ARG 43 12.430 -2.974 1.975 289 HH21 ARG 43 HH21 ARG 43 11.473 -0.759 4.537 290 HH22 ARG 43 HH22 ARG 43 11.744 -2.428 4.134 291 H GLY 44 H GLY 44 14.578 5.742 -0.742 292 HA2 GLY 44 HA2 GLY 44 15.414 6.986 -2.487 293 HA3 GLY 44 HA3 GLY 44 14.709 5.754 -3.528 294 H GLY 45 H GLY 45 13.127 8.086 -1.321 295 HA2 GLY 45 HA2 GLY 45 11.548 9.680 -1.709 296 HA3 GLY 45 HA3 GLY 45 12.118 9.752 -3.370 297 H ARG 46 H ARG 46 11.369 6.671 -2.977 298 HA ARG 46 HA ARG 46 8.757 7.089 -4.200 299 HB2 ARG 46 HB2 ARG 46 10.590 4.713 -4.196 300 HB3 ARG 46 HB3 ARG 46 8.946 4.648 -4.823 301 HG2 ARG 46 HG2 ARG 46 9.515 6.469 -6.388 302 HG3 ARG 46 HG3 ARG 46 11.176 6.410 -5.797 303 HD2 ARG 46 HD2 ARG 46 11.515 4.246 -6.663 304 HD3 ARG 46 HD3 ARG 46 9.787 3.977 -6.884 305 HE ARG 46 HE ARG 46 11.015 6.109 -8.446 306 HH11 ARG 46 HH11 ARG 46 9.837 2.800 -8.330 307 HH12 ARG 46 HH12 ARG 46 9.663 2.651 -10.040 308 HH21 ARG 46 HH21 ARG 46 10.768 5.920 -10.742 309 HH22 ARG 46 HH22 ARG 46 10.189 4.438 -11.417 310 HA PRO 47 HA PRO 47 6.872 5.800 -0.357 311 HB2 PRO 47 HB2 PRO 47 4.328 6.183 -1.208 312 HB3 PRO 47 HB3 PRO 47 5.376 7.509 -0.686 313 HG2 PRO 47 HG2 PRO 47 4.729 6.589 -3.459 314 HG3 PRO 47 HG3 PRO 47 4.819 8.243 -2.822 315 HD2 PRO 47 HD2 PRO 47 6.817 7.120 -4.239 316 HD3 PRO 47 HD3 PRO 47 7.113 8.294 -2.939 317 H THR 48 H THR 48 7.252 3.635 -0.309 318 HA THR 48 HA THR 48 5.791 1.954 -2.229 319 HB THR 48 HB THR 48 8.234 1.125 -0.663 320 HG1 THR 48 HG1 THR 48 8.389 3.094 -2.166 321 HG21 THR 48 HG21 THR 48 8.507 -0.466 -2.515 322 HG22 THR 48 HG22 THR 48 7.054 0.175 -3.285 323 HG23 THR 48 HG23 THR 48 6.935 -0.664 -1.737 324 H CYS 49 H CYS 49 4.833 0.011 -1.450 325 HA CYS 49 HA CYS 49 4.069 0.084 1.342 326 HB2 CYS 49 HB2 CYS 49 2.273 -0.361 -0.183 327 HB3 CYS 49 HB3 CYS 49 3.206 -1.597 -1.017 328 H VAL 50 H VAL 50 5.462 -0.807 2.702 329 HA VAL 50 HA VAL 50 6.814 -3.222 1.774 330 HB VAL 50 HB VAL 50 8.706 -2.737 3.205 331 HG11 VAL 50 HG11 VAL 50 7.926 -0.316 1.581 332 HG12 VAL 50 HG12 VAL 50 8.716 -1.768 0.964 333 HG13 VAL 50 HG13 VAL 50 9.560 -0.720 2.108 334 HG21 VAL 50 HG21 VAL 50 7.219 -0.245 4.012 335 HG22 VAL 50 HG22 VAL 50 8.877 -0.648 4.461 336 HG23 VAL 50 HG23 VAL 50 7.539 -1.644 5.037 337 H CYS 51 H CYS 51 6.483 -5.036 2.827 338 HA CYS 51 HA CYS 51 4.761 -4.949 5.169 339 HB2 CYS 51 HB2 CYS 51 5.679 -7.373 3.624 340 HB3 CYS 51 HB3 CYS 51 4.371 -7.284 4.786 341 H SER 52 H SER 52 5.212 -6.193 7.009 342 HA SER 52 HA SER 52 7.979 -7.026 7.369 343 HB2 SER 52 HB2 SER 52 6.439 -5.260 9.291 344 HB3 SER 52 HB3 SER 52 8.064 -5.897 9.548 345 HG SER 52 HG SER 52 8.048 -4.711 7.186 346 H ARG 53 H ARG 53 8.174 -8.412 9.362 347 HA ARG 53 HA ARG 53 7.595 -10.303 10.450 348 HB2 ARG 53 HB2 ARG 53 4.787 -9.177 10.486 349 HB3 ARG 53 HB3 ARG 53 5.464 -10.358 11.595 350 HG2 ARG 53 HG2 ARG 53 6.100 -7.421 11.401 351 HG3 ARG 53 HG3 ARG 53 5.368 -8.284 12.752 352 HD2 ARG 53 HD2 ARG 53 8.211 -8.469 11.765 353 HD3 ARG 53 HD3 ARG 53 7.649 -7.827 13.308 354 HE ARG 53 HE ARG 53 7.096 -10.621 12.708 355 HH11 ARG 53 HH11 ARG 53 9.038 -8.278 14.446 356 HH12 ARG 53 HH12 ARG 53 9.629 -9.421 15.601 357 HH21 ARG 53 HH21 ARG 53 7.878 -12.151 14.257 358 HH22 ARG 53 HH22 ARG 53 8.963 -11.623 15.499 359 H CYS 54 H CYS 54 7.785 -10.531 7.817 360 HA CYS 54 HA CYS 54 5.432 -11.920 6.765 361 HB2 CYS 54 HB2 CYS 54 8.027 -11.151 5.425 362 HB3 CYS 54 HB3 CYS 54 6.713 -12.006 4.626 363 H GLY 55 H GLY 55 5.752 -14.011 5.596 364 HA2 GLY 55 HA2 GLY 55 6.433 -16.178 5.552 365 HA3 GLY 55 HA3 GLY 55 7.991 -15.634 6.163 366 H ASN 56 H ASN 56 4.714 -15.575 7.484 367 HA ASN 56 HA ASN 56 5.812 -16.650 9.981 368 HB2 ASN 56 HB2 ASN 56 4.553 -14.449 10.023 369 HB3 ASN 56 HB3 ASN 56 3.105 -15.355 9.596 370 HD21 ASN 56 HD21 ASN 56 5.374 -14.588 12.072 371 HD22 ASN 56 HD22 ASN 56 4.539 -15.354 13.376 372 H GLY 57 H GLY 57 5.856 -18.822 9.144 373 HA2 GLY 57 HA2 GLY 57 3.333 -20.145 9.617 374 HA3 GLY 57 HA3 GLY 57 3.982 -20.309 7.990 375 H GLY 58 H GLY 58 3.585 -22.502 9.580 376 HA2 GLY 58 HA2 GLY 58 5.334 -24.309 9.414 377 HA3 GLY 58 HA3 GLY 58 6.322 -23.241 10.407 378 H GLY 59 H GLY 59 5.160 -26.005 10.853 379 HA2 GLY 59 HA2 GLY 59 4.453 -27.147 12.723 380 HA3 GLY 59 HA3 GLY 59 4.373 -25.613 13.576 381 H GLU 60 H GLU 60 2.549 -24.160 12.533 382 HA GLU 60 HA GLU 60 0.138 -25.552 11.806 383 HB2 GLU 60 HB2 GLU 60 0.300 -24.033 14.432 384 HB3 GLU 60 HB3 GLU 60 -1.179 -24.614 13.692 385 HG2 GLU 60 HG2 GLU 60 -0.422 -26.907 13.979 386 HG3 GLU 60 HG3 GLU 60 1.072 -26.321 14.711 387 H TRP 61 H TRP 61 -1.635 -23.802 11.547 388 HA TRP 61 HA TRP 61 -0.364 -21.626 10.155 389 HB2 TRP 61 HB2 TRP 61 -3.307 -22.223 10.453 390 HB3 TRP 61 HB3 TRP 61 -2.570 -21.130 9.289 391 HD1 TRP 61 HD1 TRP 61 -1.029 -22.345 7.332 392 HE1 TRP 61 HE1 TRP 61 -1.340 -24.645 6.212 393 HE3 TRP 61 HE3 TRP 61 -4.095 -24.523 10.794 394 HZ2 TRP 61 HZ2 TRP 61 -2.707 -27.059 6.734 395 HZ3 TRP 61 HZ3 TRP 61 -4.858 -26.828 10.409 396 HH2 TRP 61 HH2 TRP 61 -4.178 -28.067 8.421 397 HA PRO 62 HA PRO 62 -0.777 -18.651 13.436 398 HB2 PRO 62 HB2 PRO 62 -0.756 -16.382 11.890 399 HB3 PRO 62 HB3 PRO 62 0.698 -17.289 12.317 400 HG2 PRO 62 HG2 PRO 62 -0.909 -17.369 9.792 401 HG3 PRO 62 HG3 PRO 62 0.852 -17.367 10.000 402 HD2 PRO 62 HD2 PRO 62 -0.507 -19.622 9.463 403 HD3 PRO 62 HD3 PRO 62 0.919 -19.622 10.520 404 H ASN 63 H ASN 63 -2.709 -18.149 10.521 405 HA ASN 63 HA ASN 63 -5.113 -17.699 12.145 406 HB2 ASN 63 HB2 ASN 63 -5.715 -15.706 10.840 407 HB3 ASN 63 HB3 ASN 63 -4.190 -15.457 11.688 408 HD21 ASN 63 HD21 ASN 63 -5.658 -16.123 8.584 409 HD22 ASN 63 HD22 ASN 63 -4.323 -15.582 7.625 410 H LEU 64 H LEU 64 -3.742 -19.491 10.022 411 HA LEU 64 HA LEU 64 -4.297 -20.841 8.290 412 HB2 LEU 64 HB2 LEU 64 -7.121 -20.110 9.065 413 HB3 LEU 64 HB3 LEU 64 -6.698 -21.367 7.921 414 HG LEU 64 HG LEU 64 -5.279 -22.230 9.967 415 HD11 LEU 64 HD11 LEU 64 -6.467 -21.941 12.081 416 HD12 LEU 64 HD12 LEU 64 -7.547 -20.781 11.308 417 HD13 LEU 64 HD13 LEU 64 -5.829 -20.417 11.467 418 HD21 LEU 64 HD21 LEU 64 -8.246 -22.661 9.650 419 HD22 LEU 64 HD22 LEU 64 -7.148 -23.724 10.529 420 HD23 LEU 64 HD23 LEU 64 -6.967 -23.518 8.787 421 HA PRO 65 HA PRO 65 -4.929 -17.568 5.197 422 HB2 PRO 65 HB2 PRO 65 -2.417 -17.352 4.325 423 HB3 PRO 65 HB3 PRO 65 -2.903 -16.612 5.855 424 HG2 PRO 65 HG2 PRO 65 -1.258 -19.034 5.374 425 HG3 PRO 65 HG3 PRO 65 -1.235 -17.912 6.744 426 HD2 PRO 65 HD2 PRO 65 -2.561 -20.453 6.569 427 HD3 PRO 65 HD3 PRO 65 -2.579 -19.309 7.926 428 H SER 66 H SER 66 -5.072 -20.606 5.151 429 HA SER 66 HA SER 66 -5.021 -20.988 2.336 430 HB2 SER 66 HB2 SER 66 -3.471 -23.035 2.598 431 HB3 SER 66 HB3 SER 66 -2.705 -21.445 2.586 432 HG SER 66 HG SER 66 -1.966 -22.841 4.301 433 H ARG 67 H ARG 67 -5.374 -23.598 2.085 434 HA ARG 67 HA ARG 67 -6.883 -24.724 4.235 435 HB2 ARG 67 HB2 ARG 67 -9.014 -24.856 3.107 436 HB3 ARG 67 HB3 ARG 67 -8.528 -23.173 3.187 437 HG2 ARG 67 HG2 ARG 67 -9.087 -23.120 1.025 438 HG3 ARG 67 HG3 ARG 67 -7.543 -23.932 0.755 439 HD2 ARG 67 HD2 ARG 67 -9.327 -25.118 -0.382 440 HD3 ARG 67 HD3 ARG 67 -8.659 -26.095 0.929 441 HE ARG 67 HE ARG 67 -10.973 -24.515 1.646 442 HH11 ARG 67 HH11 ARG 67 -9.851 -27.656 0.504 443 HH12 ARG 67 HH12 ARG 67 -11.300 -28.472 0.975 444 HH21 ARG 67 HH21 ARG 67 -12.875 -25.628 2.295 445 HH22 ARG 67 HH22 ARG 67 -13.006 -27.331 2.014 446 H GLY 68 H GLY 68 -7.775 -26.917 3.501 447 HA2 GLY 68 HA2 GLY 68 -5.988 -28.007 1.424 448 HA3 GLY 68 HA3 GLY 68 -6.291 -28.851 2.936 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 3.681 4.741 -17.573 2 H2 GLY 1 H2 GLY 1 4.547 4.529 -16.131 3 H3 GLY 1 H3 GLY 1 3.328 5.697 -16.226 4 HA2 GLY 1 HA2 GLY 1 2.909 2.777 -16.438 5 HA3 GLY 1 HA3 GLY 1 2.579 3.752 -15.011 6 H SER 2 H SER 2 0.564 2.281 -16.058 7 HA SER 2 HA SER 2 -1.023 4.042 -17.754 8 HB2 SER 2 HB2 SER 2 -2.639 2.020 -17.595 9 HB3 SER 2 HB3 SER 2 -1.156 1.835 -18.531 10 HG SER 2 HG SER 2 -1.973 0.453 -16.380 11 H ALA 3 H ALA 3 -0.355 4.122 -14.684 12 HA ALA 3 HA ALA 3 -2.964 5.127 -13.955 13 HB1 ALA 3 HB1 ALA 3 -1.574 3.001 -12.326 14 HB2 ALA 3 HB2 ALA 3 -3.041 2.774 -13.278 15 HB3 ALA 3 HB3 ALA 3 -3.054 3.848 -11.878 16 H LEU 4 H LEU 4 -2.877 6.329 -12.000 17 HA LEU 4 HA LEU 4 -0.467 7.887 -11.770 18 HB2 LEU 4 HB2 LEU 4 -1.635 9.260 -10.158 19 HB3 LEU 4 HB3 LEU 4 -2.673 8.954 -11.530 20 HG LEU 4 HG LEU 4 -2.945 7.337 -9.009 21 HD11 LEU 4 HD11 LEU 4 -3.055 9.678 -8.347 22 HD12 LEU 4 HD12 LEU 4 -4.644 8.919 -8.259 23 HD13 LEU 4 HD13 LEU 4 -4.249 9.984 -9.608 24 HD21 LEU 4 HD21 LEU 4 -4.173 6.446 -10.839 25 HD22 LEU 4 HD22 LEU 4 -4.755 8.041 -11.309 26 HD23 LEU 4 HD23 LEU 4 -5.331 7.299 -9.820 27 H ASP 5 H ASP 5 -2.208 5.643 -9.731 28 HA ASP 5 HA ASP 5 -0.076 5.597 -7.782 29 HB2 ASP 5 HB2 ASP 5 -2.786 4.338 -8.005 30 HB3 ASP 5 HB3 ASP 5 -1.638 3.778 -6.785 31 H PHE 6 H PHE 6 1.681 4.478 -8.370 32 HA PHE 6 HA PHE 6 1.359 2.038 -9.954 33 HB2 PHE 6 HB2 PHE 6 3.811 2.131 -10.249 34 HB3 PHE 6 HB3 PHE 6 3.051 3.635 -10.749 35 HD1 PHE 6 HD2 PHE 6 3.248 5.653 -9.295 36 HD2 PHE 6 HD1 PHE 6 5.410 2.071 -8.502 37 HE1 PHE 6 HE2 PHE 6 4.778 6.904 -7.830 38 HE2 PHE 6 HE1 PHE 6 6.944 3.318 -7.037 39 HZ PHE 6 HZ PHE 6 6.629 5.737 -6.700 40 H THR 7 H THR 7 1.925 3.162 -6.843 41 HA THR 7 HA THR 7 2.444 0.445 -5.892 42 HB THR 7 HB THR 7 4.481 1.706 -5.514 43 HG1 THR 7 HG1 THR 7 3.972 0.364 -3.799 44 HG21 THR 7 HG21 THR 7 2.731 3.730 -4.117 45 HG22 THR 7 HG22 THR 7 3.567 3.958 -5.654 46 HG23 THR 7 HG23 THR 7 4.492 3.761 -4.165 47 H SER 8 H SER 8 1.418 -0.082 -3.898 48 HA SER 8 HA SER 8 -1.191 0.860 -3.643 49 HB2 SER 8 HB2 SER 8 0.377 -0.532 -1.480 50 HB3 SER 8 HB3 SER 8 -1.358 -0.614 -1.789 51 HG SER 8 HG SER 8 0.089 -2.403 -2.566 52 H CYS 9 H CYS 9 1.754 2.105 -2.324 53 HA CYS 9 HA CYS 9 0.241 3.657 -0.352 54 HB2 CYS 9 HB2 CYS 9 3.130 2.872 -0.446 55 HB3 CYS 9 HB3 CYS 9 2.510 4.091 0.661 56 H ALA 10 H ALA 10 0.852 4.237 -3.349 57 HA ALA 10 HA ALA 10 2.431 6.591 -3.367 58 HB1 ALA 10 HB1 ALA 10 1.871 5.340 -5.409 59 HB2 ALA 10 HB2 ALA 10 1.443 7.046 -5.551 60 HB3 ALA 10 HB3 ALA 10 0.189 5.843 -5.247 61 H ARG 11 H ARG 11 -0.887 5.982 -2.609 62 HA ARG 11 HA ARG 11 -1.775 8.651 -2.710 63 HB2 ARG 11 HB2 ARG 11 -3.683 7.803 -1.215 64 HB3 ARG 11 HB3 ARG 11 -3.542 7.144 -2.833 65 HG2 ARG 11 HG2 ARG 11 -2.219 5.658 -0.644 66 HG3 ARG 11 HG3 ARG 11 -3.981 5.645 -0.687 67 HD2 ARG 11 HD2 ARG 11 -2.118 4.791 -2.909 68 HD3 ARG 11 HD3 ARG 11 -3.092 3.737 -1.892 69 HE ARG 11 HE ARG 11 -4.700 5.646 -3.257 70 HH11 ARG 11 HH11 ARG 11 -3.006 2.609 -3.678 71 HH12 ARG 11 HH12 ARG 11 -3.976 2.103 -5.020 72 HH21 ARG 11 HH21 ARG 11 -5.983 4.985 -5.028 73 HH22 ARG 11 HH22 ARG 11 -5.674 3.459 -5.788 74 H MET 12 H MET 12 0.362 7.204 -0.557 75 HA MET 12 HA MET 12 -0.254 8.343 1.907 76 HB2 MET 12 HB2 MET 12 2.034 8.103 2.520 77 HB3 MET 12 HB3 MET 12 1.674 6.773 1.429 78 HG2 MET 12 HG2 MET 12 2.925 7.673 -0.298 79 HG3 MET 12 HG3 MET 12 2.859 9.302 0.364 80 HE1 MET 12 HE1 MET 12 3.743 6.008 2.352 81 HE2 MET 12 HE2 MET 12 5.488 5.919 2.092 82 HE3 MET 12 HE3 MET 12 4.379 5.725 0.733 83 H ASN 13 H ASN 13 0.625 9.946 -1.029 84 HA ASN 13 HA ASN 13 1.152 12.382 0.514 85 HB2 ASN 13 HB2 ASN 13 2.501 13.224 -1.413 86 HB3 ASN 13 HB3 ASN 13 3.211 11.827 -0.619 87 HD21 ASN 13 HD21 ASN 13 3.430 9.939 -1.740 88 HD22 ASN 13 HD22 ASN 13 3.136 9.809 -3.437 89 H ASP 14 H ASP 14 -1.350 11.279 -0.297 90 HA ASP 14 HA ASP 14 -2.272 13.162 -2.370 91 HB2 ASP 14 HB2 ASP 14 -2.761 10.623 -2.556 92 HB3 ASP 14 HB3 ASP 14 -3.821 10.852 -1.183 93 H GLY 15 H GLY 15 -1.710 13.307 0.707 94 HA2 GLY 15 HA2 GLY 15 -2.681 15.090 2.020 95 HA3 GLY 15 HA3 GLY 15 -4.260 14.596 1.420 96 H ALA 16 H ALA 16 -4.014 14.842 4.104 97 HA ALA 16 HA ALA 16 -3.176 12.723 5.608 98 HB1 ALA 16 HB1 ALA 16 -4.070 14.782 6.549 99 HB2 ALA 16 HB2 ALA 16 -4.862 13.368 7.246 100 HB3 ALA 16 HB3 ALA 16 -5.690 14.327 6.023 101 H LEU 17 H LEU 17 -6.100 12.904 3.652 102 HA LEU 17 HA LEU 17 -7.287 10.528 4.694 103 HB2 LEU 17 HB2 LEU 17 -8.204 12.536 3.150 104 HB3 LEU 17 HB3 LEU 17 -7.832 11.374 1.895 105 HG LEU 17 HG LEU 17 -10.180 11.260 2.492 106 HD11 LEU 17 HD11 LEU 17 -10.391 8.891 2.989 107 HD12 LEU 17 HD12 LEU 17 -8.701 8.839 3.497 108 HD13 LEU 17 HD13 LEU 17 -9.107 9.182 1.815 109 HD21 LEU 17 HD21 LEU 17 -10.026 12.095 4.770 110 HD22 LEU 17 HD22 LEU 17 -9.237 10.601 5.276 111 HD23 LEU 17 HD23 LEU 17 -10.905 10.569 4.713 112 H GLY 18 H GLY 18 -5.102 11.300 2.066 113 HA2 GLY 18 HA2 GLY 18 -5.072 8.846 0.708 114 HA3 GLY 18 HA3 GLY 18 -3.773 10.021 0.736 115 H ALA 19 H ALA 19 -3.220 9.972 3.533 116 HA ALA 19 HA ALA 19 -1.402 7.855 3.666 117 HB1 ALA 19 HB1 ALA 19 -1.071 8.531 5.985 118 HB2 ALA 19 HB2 ALA 19 -2.546 9.496 5.924 119 HB3 ALA 19 HB3 ALA 19 -1.159 9.944 4.933 120 H LYS 20 H LYS 20 -4.694 8.193 4.741 121 HA LYS 20 HA LYS 20 -4.731 5.855 6.365 122 HB2 LYS 20 HB2 LYS 20 -6.378 7.999 6.100 123 HB3 LYS 20 HB3 LYS 20 -7.259 6.800 5.167 124 HG2 LYS 20 HG2 LYS 20 -8.036 6.826 7.450 125 HG3 LYS 20 HG3 LYS 20 -7.243 5.290 7.092 126 HD2 LYS 20 HD2 LYS 20 -6.558 6.124 9.288 127 HD3 LYS 20 HD3 LYS 20 -5.196 6.100 8.168 128 HE2 LYS 20 HE2 LYS 20 -5.466 8.486 7.771 129 HE3 LYS 20 HE3 LYS 20 -6.835 8.526 8.881 130 HZ1 LYS 20 HZ1 LYS 20 -4.019 7.868 9.573 131 HZ2 LYS 20 HZ2 LYS 20 -5.313 7.764 10.645 132 HZ3 LYS 20 HZ3 LYS 20 -4.865 9.265 10.017 133 H VAL 21 H VAL 21 -5.749 6.644 3.091 134 HA VAL 21 HA VAL 21 -6.771 4.117 2.403 135 HB VAL 21 HB VAL 21 -5.457 6.144 0.568 136 HG11 VAL 21 HG11 VAL 21 -6.823 5.134 -1.177 137 HG12 VAL 21 HG12 VAL 21 -7.469 3.975 -0.015 138 HG13 VAL 21 HG13 VAL 21 -5.758 3.936 -0.441 139 HG21 VAL 21 HG21 VAL 21 -7.719 7.009 0.194 140 HG22 VAL 21 HG22 VAL 21 -7.230 7.178 1.881 141 HG23 VAL 21 HG23 VAL 21 -8.346 5.895 1.410 142 H ALA 22 H ALA 22 -3.592 5.569 2.061 143 HA ALA 22 HA ALA 22 -2.270 3.535 0.703 144 HB1 ALA 22 HB1 ALA 22 -1.102 5.383 2.780 145 HB2 ALA 22 HB2 ALA 22 -1.359 5.796 1.089 146 HB3 ALA 22 HB3 ALA 22 -0.215 4.525 1.522 147 H GLN 23 H GLN 23 -2.361 4.100 4.217 148 HA GLN 23 HA GLN 23 -0.862 1.815 4.884 149 HB2 GLN 23 HB2 GLN 23 -1.363 2.262 7.139 150 HB3 GLN 23 HB3 GLN 23 -1.398 3.835 6.356 151 HG2 GLN 23 HG2 GLN 23 -3.887 3.584 6.198 152 HG3 GLN 23 HG3 GLN 23 -3.713 2.159 7.226 153 HE21 GLN 23 HE21 GLN 23 -3.216 2.413 9.377 154 HE22 GLN 23 HE22 GLN 23 -3.263 3.948 10.169 155 H ALA 24 H ALA 24 -4.335 2.298 4.488 156 HA ALA 24 HA ALA 24 -5.179 -0.184 5.519 157 HB1 ALA 24 HB1 ALA 24 -6.512 1.492 3.391 158 HB2 ALA 24 HB2 ALA 24 -6.671 1.748 5.128 159 HB3 ALA 24 HB3 ALA 24 -7.279 0.262 4.397 160 H ALA 25 H ALA 25 -4.527 0.895 2.220 161 HA ALA 25 HA ALA 25 -5.096 -1.566 0.964 162 HB1 ALA 25 HB1 ALA 25 -3.930 -0.636 -0.971 163 HB2 ALA 25 HB2 ALA 25 -3.282 0.660 0.033 164 HB3 ALA 25 HB3 ALA 25 -5.017 0.555 -0.257 165 H CYS 26 H CYS 26 -2.205 -0.239 2.462 166 HA CYS 26 HA CYS 26 -0.408 -2.154 1.391 167 HB2 CYS 26 HB2 CYS 26 0.233 0.113 2.233 168 HB3 CYS 26 HB3 CYS 26 -0.084 -0.455 3.868 169 H ILE 27 H ILE 27 -1.853 -1.745 4.630 170 HA ILE 27 HA ILE 27 -0.725 -3.983 5.838 171 HB ILE 27 HB ILE 27 -3.408 -2.695 6.370 172 HG12 ILE 27 HG12 ILE 27 -0.816 -2.381 7.891 173 HG13 ILE 27 HG13 ILE 27 -1.321 -1.284 6.625 174 HG21 ILE 27 HG21 ILE 27 -3.250 -3.755 8.614 175 HG22 ILE 27 HG22 ILE 27 -1.856 -4.674 8.040 176 HG23 ILE 27 HG23 ILE 27 -3.440 -4.916 7.301 177 HD11 ILE 27 HD11 ILE 27 -3.309 -0.718 7.932 178 HD12 ILE 27 HD12 ILE 27 -1.820 -0.397 8.822 179 HD13 ILE 27 HD13 ILE 27 -2.783 -1.827 9.198 180 H SER 28 H SER 28 -3.916 -3.709 4.252 181 HA SER 28 HA SER 28 -4.682 -6.362 4.632 182 HB2 SER 28 HB2 SER 28 -5.455 -4.545 2.351 183 HB3 SER 28 HB3 SER 28 -6.333 -5.969 2.915 184 HG SER 28 HG SER 28 -6.378 -4.796 5.020 185 H SER 29 H SER 29 -2.928 -4.875 1.906 186 HA SER 29 HA SER 29 -2.814 -7.193 0.317 187 HB2 SER 29 HB2 SER 29 -0.912 -4.843 0.420 188 HB3 SER 29 HB3 SER 29 -0.952 -6.062 -0.854 189 HG SER 29 HG SER 29 -2.800 -4.035 -0.241 190 H CYS 30 H CYS 30 -0.728 -5.999 2.903 191 HA CYS 30 HA CYS 30 1.329 -7.884 2.522 192 HB2 CYS 30 HB2 CYS 30 0.482 -6.251 4.904 193 HB3 CYS 30 HB3 CYS 30 1.929 -7.261 4.891 194 H LYS 31 H LYS 31 -1.463 -7.801 4.707 195 HA LYS 31 HA LYS 31 -1.039 -10.229 5.989 196 HB2 LYS 31 HB2 LYS 31 -3.629 -8.867 5.245 197 HB3 LYS 31 HB3 LYS 31 -3.490 -10.188 6.396 198 HG2 LYS 31 HG2 LYS 31 -2.477 -8.869 7.993 199 HG3 LYS 31 HG3 LYS 31 -1.857 -7.732 6.800 200 HD2 LYS 31 HD2 LYS 31 -3.687 -6.787 8.166 201 HD3 LYS 31 HD3 LYS 31 -4.049 -6.821 6.437 202 HE2 LYS 31 HE2 LYS 31 -5.974 -7.491 7.755 203 HE3 LYS 31 HE3 LYS 31 -5.400 -8.823 6.757 204 HZ1 LYS 31 HZ1 LYS 31 -4.830 -8.479 9.657 205 HZ2 LYS 31 HZ2 LYS 31 -4.336 -9.786 8.707 206 HZ3 LYS 31 HZ3 LYS 31 -5.977 -9.530 9.006 207 H PHE 32 H PHE 32 -2.710 -9.507 2.949 208 HA PHE 32 HA PHE 32 -3.744 -12.014 2.405 209 HB2 PHE 32 HB2 PHE 32 -3.739 -9.571 1.174 210 HB3 PHE 32 HB3 PHE 32 -2.793 -10.550 0.058 211 HD1 PHE 32 HD1 PHE 32 -6.046 -10.132 1.668 212 HD2 PHE 32 HD2 PHE 32 -3.803 -12.308 -1.211 213 HE1 PHE 32 HE1 PHE 32 -8.135 -11.078 0.763 214 HE2 PHE 32 HE2 PHE 32 -5.882 -13.259 -2.125 215 HZ PHE 32 HZ PHE 32 -8.051 -12.644 -1.136 216 H GLN 33 H GLN 33 -0.510 -10.749 1.840 217 HA GLN 33 HA GLN 33 0.243 -13.183 0.413 218 HB2 GLN 33 HB2 GLN 33 2.389 -12.033 -0.011 219 HB3 GLN 33 HB3 GLN 33 1.004 -11.109 -0.571 220 HG2 GLN 33 HG2 GLN 33 1.150 -9.783 1.536 221 HG3 GLN 33 HG3 GLN 33 2.663 -10.619 1.882 222 HE21 GLN 33 HE21 GLN 33 1.056 -8.323 -0.122 223 HE22 GLN 33 HE22 GLN 33 2.469 -7.653 -0.862 224 H ASN 34 H ASN 34 -0.285 -12.780 3.401 225 HA ASN 34 HA ASN 34 0.291 -13.876 5.268 226 HB2 ASN 34 HB2 ASN 34 0.772 -15.794 3.743 227 HB3 ASN 34 HB3 ASN 34 2.443 -15.257 3.640 228 HD21 ASN 34 HD21 ASN 34 3.835 -15.867 5.169 229 HD22 ASN 34 HD22 ASN 34 3.420 -16.773 6.588 230 H CYS 35 H CYS 35 1.125 -11.359 5.038 231 HA CYS 35 HA CYS 35 3.740 -11.420 6.345 232 HB2 CYS 35 HB2 CYS 35 2.348 -9.232 4.810 233 HB3 CYS 35 HB3 CYS 35 3.798 -8.957 5.765 234 H GLY 36 H GLY 36 3.877 -10.689 8.350 235 HA2 GLY 36 HA2 GLY 36 1.708 -10.679 10.069 236 HA3 GLY 36 HA3 GLY 36 3.253 -9.928 10.433 237 H THR 37 H THR 37 3.256 -7.920 8.591 238 HA THR 37 HA THR 37 0.780 -6.458 8.739 239 HB THR 37 HB THR 37 1.782 -6.111 11.018 240 HG1 THR 37 HG1 THR 37 0.348 -4.581 10.384 241 HG21 THR 37 HG21 THR 37 4.136 -6.008 10.410 242 HG22 THR 37 HG22 THR 37 3.655 -4.508 11.204 243 HG23 THR 37 HG23 THR 37 3.849 -4.554 9.452 244 H GLY 38 H GLY 38 1.248 -4.075 8.095 245 HA2 GLY 38 HA2 GLY 38 3.311 -3.905 6.056 246 HA3 GLY 38 HA3 GLY 38 1.641 -3.791 5.495 247 H HIS 39 H HIS 39 3.870 -1.808 5.518 248 HA HIS 39 HA HIS 39 2.210 0.339 6.461 249 HB2 HIS 39 HB2 HIS 39 3.759 1.401 7.928 250 HB3 HIS 39 HB3 HIS 39 3.650 -0.267 8.456 251 HD1 HIS 39 HD1 HIS 39 5.820 -1.602 8.505 252 HD2 HIS 39 HD2 HIS 39 6.225 2.110 6.685 253 HE1 HIS 39 HE1 HIS 39 8.292 -1.265 8.197 254 HE2 HIS 39 HE2 HIS 39 8.529 1.048 7.245 255 H CYS 40 H CYS 40 2.787 2.341 5.598 256 HA CYS 40 HA CYS 40 4.095 2.016 3.042 257 HB2 CYS 40 HB2 CYS 40 2.668 4.393 4.226 258 HB3 CYS 40 HB3 CYS 40 3.237 4.238 2.565 259 H GLU 41 H GLU 41 6.101 2.541 2.684 260 HA GLU 41 HA GLU 41 7.370 4.469 4.488 261 HB2 GLU 41 HB2 GLU 41 7.827 2.108 5.175 262 HB3 GLU 41 HB3 GLU 41 8.593 1.852 3.617 263 HG2 GLU 41 HG2 GLU 41 10.320 3.421 4.151 264 HG3 GLU 41 HG3 GLU 41 9.492 3.872 5.642 265 H ARG 42 H ARG 42 8.978 5.739 3.513 266 HA ARG 42 HA ARG 42 8.983 5.601 0.616 267 HB2 ARG 42 HB2 ARG 42 9.849 7.717 2.564 268 HB3 ARG 42 HB3 ARG 42 10.344 7.772 0.880 269 HG2 ARG 42 HG2 ARG 42 7.997 7.721 0.212 270 HG3 ARG 42 HG3 ARG 42 7.518 7.799 1.917 271 HD2 ARG 42 HD2 ARG 42 7.431 10.028 1.359 272 HD3 ARG 42 HD3 ARG 42 9.116 9.906 1.873 273 HE ARG 42 HE ARG 42 9.197 9.380 -0.795 274 HH11 ARG 42 HH11 ARG 42 7.976 12.041 1.139 275 HH12 ARG 42 HH12 ARG 42 8.234 13.224 -0.096 276 HH21 ARG 42 HH21 ARG 42 9.524 10.941 -2.431 277 HH22 ARG 42 HH22 ARG 42 9.117 12.596 -2.128 278 H ARG 43 H ARG 43 10.533 4.867 -0.494 279 HA ARG 43 HA ARG 43 13.149 4.497 0.766 280 HB2 ARG 43 HB2 ARG 43 11.705 2.399 -0.870 281 HB3 ARG 43 HB3 ARG 43 13.360 2.269 -0.281 282 HG2 ARG 43 HG2 ARG 43 12.381 2.611 2.052 283 HG3 ARG 43 HG3 ARG 43 10.815 2.306 1.304 284 HD2 ARG 43 HD2 ARG 43 11.455 0.109 0.679 285 HD3 ARG 43 HD3 ARG 43 13.141 0.416 1.104 286 HE ARG 43 HE ARG 43 11.620 0.855 3.398 287 HH11 ARG 43 HH11 ARG 43 12.415 -1.856 1.325 288 HH12 ARG 43 HH12 ARG 43 12.290 -3.025 2.588 289 HH21 ARG 43 HH21 ARG 43 11.455 -0.643 5.051 290 HH22 ARG 43 HH22 ARG 43 11.733 -2.328 4.747 291 H GLY 44 H GLY 44 14.637 5.437 -0.344 292 HA2 GLY 44 HA2 GLY 44 15.650 6.640 -2.026 293 HA3 GLY 44 HA3 GLY 44 14.925 5.472 -3.128 294 H GLY 45 H GLY 45 13.466 7.918 -0.949 295 HA2 GLY 45 HA2 GLY 45 11.979 9.578 -1.350 296 HA3 GLY 45 HA3 GLY 45 12.570 9.615 -3.004 297 H ARG 46 H ARG 46 11.695 6.645 -2.872 298 HA ARG 46 HA ARG 46 9.129 7.258 -4.083 299 HB2 ARG 46 HB2 ARG 46 10.778 4.749 -4.125 300 HB3 ARG 46 HB3 ARG 46 9.215 4.914 -4.913 301 HG2 ARG 46 HG2 ARG 46 11.630 6.603 -5.488 302 HG3 ARG 46 HG3 ARG 46 11.107 5.217 -6.461 303 HD2 ARG 46 HD2 ARG 46 8.878 6.454 -6.680 304 HD3 ARG 46 HD3 ARG 46 9.730 7.860 -6.046 305 HE ARG 46 HE ARG 46 10.797 6.497 -8.402 306 HH11 ARG 46 HH11 ARG 46 9.282 9.342 -7.000 307 HH12 ARG 46 HH12 ARG 46 9.510 10.310 -8.414 308 HH21 ARG 46 HH21 ARG 46 11.074 7.788 -10.281 309 HH22 ARG 46 HH22 ARG 46 10.531 9.431 -10.272 310 HA PRO 47 HA PRO 47 7.010 5.840 -0.411 311 HB2 PRO 47 HB2 PRO 47 4.519 6.127 -1.506 312 HB3 PRO 47 HB3 PRO 47 5.428 7.461 -0.789 313 HG2 PRO 47 HG2 PRO 47 5.116 6.716 -3.667 314 HG3 PRO 47 HG3 PRO 47 5.083 8.323 -2.916 315 HD2 PRO 47 HD2 PRO 47 7.242 7.390 -4.197 316 HD3 PRO 47 HD3 PRO 47 7.378 8.438 -2.768 317 H THR 48 H THR 48 6.811 3.676 -0.021 318 HA THR 48 HA THR 48 5.620 2.036 -2.122 319 HB THR 48 HB THR 48 8.145 1.230 -0.648 320 HG1 THR 48 HG1 THR 48 8.176 3.083 -2.311 321 HG21 THR 48 HG21 THR 48 6.790 0.104 -3.110 322 HG22 THR 48 HG22 THR 48 6.784 -0.626 -1.504 323 HG23 THR 48 HG23 THR 48 8.296 -0.484 -2.402 324 H CYS 49 H CYS 49 4.696 0.074 -1.310 325 HA CYS 49 HA CYS 49 3.996 0.165 1.494 326 HB2 CYS 49 HB2 CYS 49 2.182 -0.302 -0.008 327 HB3 CYS 49 HB3 CYS 49 3.107 -1.553 -0.830 328 H VAL 50 H VAL 50 5.419 -0.701 2.852 329 HA VAL 50 HA VAL 50 6.830 -3.078 1.928 330 HB VAL 50 HB VAL 50 8.651 -2.579 3.451 331 HG11 VAL 50 HG11 VAL 50 7.877 -0.176 1.798 332 HG12 VAL 50 HG12 VAL 50 8.754 -1.599 1.229 333 HG13 VAL 50 HG13 VAL 50 9.495 -0.521 2.413 334 HG21 VAL 50 HG21 VAL 50 7.083 -0.124 4.218 335 HG22 VAL 50 HG22 VAL 50 8.725 -0.508 4.739 336 HG23 VAL 50 HG23 VAL 50 7.377 -1.530 5.240 337 H CYS 51 H CYS 51 6.438 -4.908 2.870 338 HA CYS 51 HA CYS 51 4.689 -4.952 5.183 339 HB2 CYS 51 HB2 CYS 51 5.657 -7.281 3.542 340 HB3 CYS 51 HB3 CYS 51 4.314 -7.252 4.668 341 H SER 52 H SER 52 5.105 -6.148 7.024 342 HA SER 52 HA SER 52 7.917 -6.888 7.453 343 HB2 SER 52 HB2 SER 52 6.018 -5.765 9.530 344 HB3 SER 52 HB3 SER 52 7.741 -6.081 9.728 345 HG SER 52 HG SER 52 8.155 -4.457 8.186 346 H ARG 53 H ARG 53 8.269 -8.733 8.757 347 HA ARG 53 HA ARG 53 7.900 -10.819 9.491 348 HB2 ARG 53 HB2 ARG 53 5.247 -9.615 10.243 349 HB3 ARG 53 HB3 ARG 53 5.711 -11.258 10.681 350 HG2 ARG 53 HG2 ARG 53 7.278 -8.803 11.409 351 HG3 ARG 53 HG3 ARG 53 6.087 -9.573 12.459 352 HD2 ARG 53 HD2 ARG 53 7.369 -11.543 12.644 353 HD3 ARG 53 HD3 ARG 53 8.401 -11.102 11.292 354 HE ARG 53 HE ARG 53 9.240 -9.280 12.757 355 HH11 ARG 53 HH11 ARG 53 7.842 -12.183 14.167 356 HH12 ARG 53 HH12 ARG 53 8.790 -12.103 15.606 357 HH21 ARG 53 HH21 ARG 53 10.495 -9.175 14.681 358 HH22 ARG 53 HH22 ARG 53 10.313 -10.386 15.902 359 H CYS 54 H CYS 54 7.844 -10.738 6.944 360 HA CYS 54 HA CYS 54 5.482 -12.147 5.947 361 HB2 CYS 54 HB2 CYS 54 7.986 -11.249 4.508 362 HB3 CYS 54 HB3 CYS 54 6.592 -12.001 3.739 363 H GLY 55 H GLY 55 5.495 -14.351 5.409 364 HA2 GLY 55 HA2 GLY 55 6.102 -16.504 5.775 365 HA3 GLY 55 HA3 GLY 55 7.649 -16.001 5.108 366 H ASN 56 H ASN 56 5.852 -15.670 8.177 367 HA ASN 56 HA ASN 56 8.350 -15.656 9.623 368 HB2 ASN 56 HB2 ASN 56 6.517 -14.139 10.290 369 HB3 ASN 56 HB3 ASN 56 5.524 -15.537 10.688 370 HD21 ASN 56 HD21 ASN 56 5.342 -14.917 12.832 371 HD22 ASN 56 HD22 ASN 56 6.653 -15.051 13.948 372 H GLY 57 H GLY 57 9.312 -17.484 9.866 373 HA2 GLY 57 HA2 GLY 57 8.614 -19.472 11.595 374 HA3 GLY 57 HA3 GLY 57 7.980 -20.011 10.040 375 H GLY 58 H GLY 58 10.524 -20.386 12.002 376 HA2 GLY 58 HA2 GLY 58 12.441 -20.522 9.769 377 HA3 GLY 58 HA3 GLY 58 12.893 -20.232 11.442 378 H GLY 59 H GLY 59 12.404 -22.516 9.036 379 HA2 GLY 59 HA2 GLY 59 12.316 -24.775 10.902 380 HA3 GLY 59 HA3 GLY 59 12.196 -24.878 9.147 381 H GLU 60 H GLU 60 14.353 -24.410 11.826 382 HA GLU 60 HA GLU 60 16.539 -25.549 10.302 383 HB2 GLU 60 HB2 GLU 60 16.501 -23.076 9.783 384 HB3 GLU 60 HB3 GLU 60 16.855 -22.790 11.477 385 HG2 GLU 60 HG2 GLU 60 18.849 -22.642 10.069 386 HG3 GLU 60 HG3 GLU 60 18.970 -23.925 11.271 387 H TRP 61 H TRP 61 18.442 -25.828 11.591 388 HA TRP 61 HA TRP 61 18.057 -25.771 14.499 389 HB2 TRP 61 HB2 TRP 61 19.133 -28.083 14.579 390 HB3 TRP 61 HB3 TRP 61 17.458 -28.015 14.048 391 HD1 TRP 61 HD1 TRP 61 20.931 -29.013 12.904 392 HE1 TRP 61 HE1 TRP 61 20.786 -30.158 10.609 393 HE3 TRP 61 HE3 TRP 61 16.038 -28.007 11.799 394 HZ2 TRP 61 HZ2 TRP 61 18.851 -30.587 8.596 395 HZ3 TRP 61 HZ3 TRP 61 15.122 -28.825 9.670 396 HH2 TRP 61 HH2 TRP 61 16.501 -30.088 8.104 397 HA PRO 62 HA PRO 62 22.198 -24.199 13.056 398 HB2 PRO 62 HB2 PRO 62 21.653 -21.826 14.628 399 HB3 PRO 62 HB3 PRO 62 21.917 -21.956 12.889 400 HG2 PRO 62 HG2 PRO 62 19.508 -21.307 13.992 401 HG3 PRO 62 HG3 PRO 62 19.675 -22.132 12.434 402 HD2 PRO 62 HD2 PRO 62 19.027 -23.266 15.124 403 HD3 PRO 62 HD3 PRO 62 18.335 -23.663 13.535 404 H ASN 63 H ASN 63 20.623 -24.218 16.173 405 HA ASN 63 HA ASN 63 23.187 -24.074 17.546 406 HB2 ASN 63 HB2 ASN 63 20.350 -24.064 18.564 407 HB3 ASN 63 HB3 ASN 63 21.746 -24.161 19.628 408 HD21 ASN 63 HD21 ASN 63 23.416 -22.413 18.066 409 HD22 ASN 63 HD22 ASN 63 22.785 -20.818 18.272 410 H LEU 64 H LEU 64 21.141 -26.371 16.248 411 HA LEU 64 HA LEU 64 21.117 -28.592 16.225 412 HB2 LEU 64 HB2 LEU 64 23.577 -28.422 17.967 413 HB3 LEU 64 HB3 LEU 64 22.993 -29.871 17.177 414 HG LEU 64 HG LEU 64 24.041 -27.395 15.801 415 HD11 LEU 64 HD11 LEU 64 25.790 -28.718 16.844 416 HD12 LEU 64 HD12 LEU 64 25.863 -28.850 15.087 417 HD13 LEU 64 HD13 LEU 64 25.187 -30.169 16.042 418 HD21 LEU 64 HD21 LEU 64 22.276 -28.393 14.482 419 HD22 LEU 64 HD22 LEU 64 23.012 -29.985 14.654 420 HD23 LEU 64 HD23 LEU 64 23.841 -28.725 13.738 421 HA PRO 65 HA PRO 65 18.377 -29.387 19.659 422 HB2 PRO 65 HB2 PRO 65 18.712 -32.135 18.534 423 HB3 PRO 65 HB3 PRO 65 17.232 -31.277 18.982 424 HG2 PRO 65 HG2 PRO 65 17.920 -31.514 16.432 425 HG3 PRO 65 HG3 PRO 65 17.225 -30.001 17.043 426 HD2 PRO 65 HD2 PRO 65 20.050 -30.633 16.317 427 HD3 PRO 65 HD3 PRO 65 19.148 -29.108 16.167 428 H SER 66 H SER 66 18.268 -31.232 21.343 429 HA SER 66 HA SER 66 20.727 -32.410 22.131 430 HB2 SER 66 HB2 SER 66 19.855 -29.926 23.628 431 HB3 SER 66 HB3 SER 66 21.024 -31.087 24.251 432 HG SER 66 HG SER 66 21.586 -30.292 21.709 433 H ARG 67 H ARG 67 19.388 -34.217 22.272 434 HA ARG 67 HA ARG 67 17.220 -34.227 24.182 435 HB2 ARG 67 HB2 ARG 67 17.013 -36.598 23.578 436 HB3 ARG 67 HB3 ARG 67 17.028 -35.558 22.160 437 HG2 ARG 67 HG2 ARG 67 19.119 -36.264 21.495 438 HG3 ARG 67 HG3 ARG 67 19.565 -36.797 23.116 439 HD2 ARG 67 HD2 ARG 67 17.456 -38.097 21.413 440 HD3 ARG 67 HD3 ARG 67 19.131 -38.642 21.525 441 HE ARG 67 HE ARG 67 18.193 -38.490 24.124 442 HH11 ARG 67 HH11 ARG 67 17.445 -40.369 21.243 443 HH12 ARG 67 HH12 ARG 67 16.809 -41.705 22.138 444 HH21 ARG 67 HH21 ARG 67 17.392 -40.244 25.286 445 HH22 ARG 67 HH22 ARG 67 16.767 -41.634 24.455 446 H GLY 68 H GLY 68 17.169 -36.041 25.808 447 HA2 GLY 68 HA2 GLY 68 19.830 -36.398 27.024 448 HA3 GLY 68 HA3 GLY 68 18.354 -36.179 27.961 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 3.658 4.975 -14.091 2 H2 GLY 1 H2 GLY 1 3.844 3.370 -13.575 3 H3 GLY 1 H3 GLY 1 2.373 4.171 -13.348 4 HA2 GLY 1 HA2 GLY 1 3.563 3.494 -15.968 5 HA3 GLY 1 HA3 GLY 1 2.257 2.614 -15.190 6 H SER 2 H SER 2 0.455 3.027 -16.273 7 HA SER 2 HA SER 2 0.011 5.730 -17.321 8 HB2 SER 2 HB2 SER 2 -0.069 3.828 -18.927 9 HB3 SER 2 HB3 SER 2 -1.408 3.142 -18.012 10 HG SER 2 HG SER 2 -2.317 5.427 -18.437 11 H ALA 3 H ALA 3 -0.344 5.191 -14.526 12 HA ALA 3 HA ALA 3 -3.190 5.816 -14.309 13 HB1 ALA 3 HB1 ALA 3 -2.906 3.443 -13.723 14 HB2 ALA 3 HB2 ALA 3 -3.426 4.412 -12.342 15 HB3 ALA 3 HB3 ALA 3 -1.743 3.903 -12.479 16 H LEU 4 H LEU 4 -3.540 6.495 -11.897 17 HA LEU 4 HA LEU 4 -1.880 8.789 -11.483 18 HB2 LEU 4 HB2 LEU 4 -3.320 9.424 -9.725 19 HB3 LEU 4 HB3 LEU 4 -4.334 8.689 -10.945 20 HG LEU 4 HG LEU 4 -3.403 7.221 -8.474 21 HD11 LEU 4 HD11 LEU 4 -5.986 8.698 -8.931 22 HD12 LEU 4 HD12 LEU 4 -4.704 9.168 -7.818 23 HD13 LEU 4 HD13 LEU 4 -5.608 7.680 -7.543 24 HD21 LEU 4 HD21 LEU 4 -5.648 6.676 -10.419 25 HD22 LEU 4 HD22 LEU 4 -5.258 5.720 -8.991 26 HD23 LEU 4 HD23 LEU 4 -4.123 5.796 -10.333 27 H ASP 5 H ASP 5 -2.121 5.644 -9.940 28 HA ASP 5 HA ASP 5 0.358 6.273 -8.503 29 HB2 ASP 5 HB2 ASP 5 -1.758 6.154 -7.019 30 HB3 ASP 5 HB3 ASP 5 -1.773 4.435 -7.402 31 H PHE 6 H PHE 6 1.901 4.775 -8.723 32 HA PHE 6 HA PHE 6 1.284 2.439 -10.381 33 HB2 PHE 6 HB2 PHE 6 3.628 2.333 -10.907 34 HB3 PHE 6 HB3 PHE 6 3.116 4.003 -11.112 35 HD1 PHE 6 HD2 PHE 6 3.501 5.522 -8.955 36 HD2 PHE 6 HD1 PHE 6 5.576 1.900 -9.794 37 HE1 PHE 6 HE2 PHE 6 5.324 6.224 -7.462 38 HE2 PHE 6 HE1 PHE 6 7.402 2.600 -8.305 39 HZ PHE 6 HZ PHE 6 7.276 4.762 -7.136 40 H THR 7 H THR 7 1.719 3.358 -7.245 41 HA THR 7 HA THR 7 2.488 0.654 -6.399 42 HB THR 7 HB THR 7 3.279 1.913 -4.276 43 HG1 THR 7 HG1 THR 7 2.460 3.976 -5.723 44 HG21 THR 7 HG21 THR 7 4.833 2.147 -6.856 45 HG22 THR 7 HG22 THR 7 4.800 0.742 -5.790 46 HG23 THR 7 HG23 THR 7 5.515 2.257 -5.234 47 H SER 8 H SER 8 1.651 0.208 -4.143 48 HA SER 8 HA SER 8 -1.050 1.013 -3.885 49 HB2 SER 8 HB2 SER 8 0.661 -0.549 -1.951 50 HB3 SER 8 HB3 SER 8 -1.102 -0.476 -1.974 51 HG SER 8 HG SER 8 -0.523 -1.179 -4.370 52 H CYS 9 H CYS 9 1.949 2.245 -2.523 53 HA CYS 9 HA CYS 9 0.359 3.711 -0.537 54 HB2 CYS 9 HB2 CYS 9 3.175 2.746 -0.475 55 HB3 CYS 9 HB3 CYS 9 2.626 4.028 0.595 56 H ALA 10 H ALA 10 1.298 4.646 -3.457 57 HA ALA 10 HA ALA 10 2.880 6.931 -2.750 58 HB1 ALA 10 HB1 ALA 10 1.309 6.555 -5.283 59 HB2 ALA 10 HB2 ALA 10 2.923 5.912 -4.998 60 HB3 ALA 10 HB3 ALA 10 2.663 7.660 -5.018 61 H ARG 11 H ARG 11 -0.466 6.245 -2.685 62 HA ARG 11 HA ARG 11 -1.497 8.864 -2.813 63 HB2 ARG 11 HB2 ARG 11 -3.433 7.886 -1.423 64 HB3 ARG 11 HB3 ARG 11 -3.160 7.227 -3.029 65 HG2 ARG 11 HG2 ARG 11 -1.804 5.870 -0.806 66 HG3 ARG 11 HG3 ARG 11 -3.565 5.741 -0.849 67 HD2 ARG 11 HD2 ARG 11 -1.814 5.172 -3.223 68 HD3 ARG 11 HD3 ARG 11 -2.260 3.937 -2.048 69 HE ARG 11 HE ARG 11 -4.631 5.048 -2.824 70 HH11 ARG 11 HH11 ARG 11 -1.924 3.678 -4.577 71 HH12 ARG 11 HH12 ARG 11 -2.917 2.896 -5.759 72 HH21 ARG 11 HH21 ARG 11 -5.954 4.028 -4.421 73 HH22 ARG 11 HH22 ARG 11 -5.204 3.099 -5.672 74 H MET 12 H MET 12 0.534 7.470 -0.558 75 HA MET 12 HA MET 12 -0.249 8.578 1.880 76 HB2 MET 12 HB2 MET 12 2.022 8.378 2.617 77 HB3 MET 12 HB3 MET 12 1.726 7.030 1.528 78 HG2 MET 12 HG2 MET 12 3.014 7.972 -0.182 79 HG3 MET 12 HG3 MET 12 2.975 9.573 0.548 80 HE1 MET 12 HE1 MET 12 4.492 5.963 0.713 81 HE2 MET 12 HE2 MET 12 3.727 6.109 2.297 82 HE3 MET 12 HE3 MET 12 5.485 6.048 2.167 83 H ASN 13 H ASN 13 0.576 10.221 -1.006 84 HA ASN 13 HA ASN 13 1.355 12.658 0.431 85 HB2 ASN 13 HB2 ASN 13 1.710 11.882 -2.473 86 HB3 ASN 13 HB3 ASN 13 2.093 13.468 -1.817 87 HD21 ASN 13 HD21 ASN 13 3.054 10.192 -2.122 88 HD22 ASN 13 HD22 ASN 13 4.611 10.361 -1.383 89 H ASP 14 H ASP 14 -1.370 11.469 0.039 90 HA ASP 14 HA ASP 14 -2.590 13.627 -1.555 91 HB2 ASP 14 HB2 ASP 14 -2.958 11.195 -2.314 92 HB3 ASP 14 HB3 ASP 14 -3.867 10.965 -0.844 93 H GLY 15 H GLY 15 -1.640 13.661 1.227 94 HA2 GLY 15 HA2 GLY 15 -2.419 14.831 3.060 95 HA3 GLY 15 HA3 GLY 15 -4.060 14.659 2.453 96 H ALA 16 H ALA 16 -4.206 14.272 4.902 97 HA ALA 16 HA ALA 16 -3.346 11.912 6.091 98 HB1 ALA 16 HB1 ALA 16 -4.271 13.789 7.346 99 HB2 ALA 16 HB2 ALA 16 -5.118 12.292 7.731 100 HB3 ALA 16 HB3 ALA 16 -5.861 13.474 6.655 101 H LEU 17 H LEU 17 -6.140 12.543 4.042 102 HA LEU 17 HA LEU 17 -7.441 10.068 4.497 103 HB2 LEU 17 HB2 LEU 17 -8.142 12.327 3.209 104 HB3 LEU 17 HB3 LEU 17 -7.653 11.364 1.831 105 HG LEU 17 HG LEU 17 -10.044 11.213 2.130 106 HD11 LEU 17 HD11 LEU 17 -8.939 9.215 1.313 107 HD12 LEU 17 HD12 LEU 17 -10.332 8.796 2.309 108 HD13 LEU 17 HD13 LEU 17 -8.701 8.655 2.969 109 HD21 LEU 17 HD21 LEU 17 -10.113 11.744 4.515 110 HD22 LEU 17 HD22 LEU 17 -9.471 10.144 4.888 111 HD23 LEU 17 HD23 LEU 17 -11.055 10.306 4.134 112 H GLY 18 H GLY 18 -5.140 11.199 2.061 113 HA2 GLY 18 HA2 GLY 18 -4.929 8.858 0.525 114 HA3 GLY 18 HA3 GLY 18 -3.677 10.071 0.717 115 H ALA 19 H ALA 19 -3.096 9.914 3.376 116 HA ALA 19 HA ALA 19 -1.350 7.744 3.538 117 HB1 ALA 19 HB1 ALA 19 -2.510 9.382 5.794 118 HB2 ALA 19 HB2 ALA 19 -1.078 9.796 4.852 119 HB3 ALA 19 HB3 ALA 19 -1.070 8.368 5.888 120 H LYS 20 H LYS 20 -4.640 8.164 4.613 121 HA LYS 20 HA LYS 20 -4.820 5.791 6.160 122 HB2 LYS 20 HB2 LYS 20 -6.424 8.006 5.699 123 HB3 LYS 20 HB3 LYS 20 -7.309 6.701 4.931 124 HG2 LYS 20 HG2 LYS 20 -8.063 6.996 7.201 125 HG3 LYS 20 HG3 LYS 20 -7.257 5.438 7.030 126 HD2 LYS 20 HD2 LYS 20 -6.585 6.537 9.101 127 HD3 LYS 20 HD3 LYS 20 -5.216 6.392 7.999 128 HE2 LYS 20 HE2 LYS 20 -5.551 8.721 7.298 129 HE3 LYS 20 HE3 LYS 20 -6.895 8.860 8.429 130 HZ1 LYS 20 HZ1 LYS 20 -4.088 8.256 9.168 131 HZ2 LYS 20 HZ2 LYS 20 -5.372 8.444 10.246 132 HZ3 LYS 20 HZ3 LYS 20 -4.836 9.759 9.336 133 H VAL 21 H VAL 21 -5.752 6.641 2.830 134 HA VAL 21 HA VAL 21 -6.744 4.132 2.082 135 HB VAL 21 HB VAL 21 -5.325 6.163 0.321 136 HG11 VAL 21 HG11 VAL 21 -6.684 5.144 -1.486 137 HG12 VAL 21 HG12 VAL 21 -7.208 3.902 -0.342 138 HG13 VAL 21 HG13 VAL 21 -5.508 4.032 -0.784 139 HG21 VAL 21 HG21 VAL 21 -7.171 7.196 1.499 140 HG22 VAL 21 HG22 VAL 21 -8.249 5.884 1.016 141 HG23 VAL 21 HG23 VAL 21 -7.586 6.975 -0.201 142 H ALA 22 H ALA 22 -3.533 5.535 1.859 143 HA ALA 22 HA ALA 22 -2.205 3.480 0.555 144 HB1 ALA 22 HB1 ALA 22 -1.302 5.753 0.987 145 HB2 ALA 22 HB2 ALA 22 -0.175 4.462 1.399 146 HB3 ALA 22 HB3 ALA 22 -1.063 5.295 2.672 147 H GLN 23 H GLN 23 -2.389 4.071 4.073 148 HA GLN 23 HA GLN 23 -0.942 1.773 4.777 149 HB2 GLN 23 HB2 GLN 23 -1.461 2.248 7.015 150 HB3 GLN 23 HB3 GLN 23 -1.462 3.810 6.216 151 HG2 GLN 23 HG2 GLN 23 -3.940 3.651 6.064 152 HG3 GLN 23 HG3 GLN 23 -3.834 2.190 7.048 153 HE21 GLN 23 HE21 GLN 23 -3.264 2.355 9.205 154 HE22 GLN 23 HE22 GLN 23 -3.283 3.863 10.047 155 H ALA 24 H ALA 24 -4.430 2.276 4.368 156 HA ALA 24 HA ALA 24 -5.287 -0.186 5.394 157 HB1 ALA 24 HB1 ALA 24 -6.803 1.676 4.978 158 HB2 ALA 24 HB2 ALA 24 -7.344 0.237 4.116 159 HB3 ALA 24 HB3 ALA 24 -6.528 1.533 3.242 160 H ALA 25 H ALA 25 -4.551 0.821 2.086 161 HA ALA 25 HA ALA 25 -5.077 -1.682 0.883 162 HB1 ALA 25 HB1 ALA 25 -3.284 0.548 -0.081 163 HB2 ALA 25 HB2 ALA 25 -5.016 0.417 -0.385 164 HB3 ALA 25 HB3 ALA 25 -3.908 -0.780 -1.059 165 H CYS 26 H CYS 26 -2.277 -0.315 2.489 166 HA CYS 26 HA CYS 26 -0.404 -2.176 1.436 167 HB2 CYS 26 HB2 CYS 26 0.165 0.114 2.265 168 HB3 CYS 26 HB3 CYS 26 -0.185 -0.439 3.900 169 H ILE 27 H ILE 27 -1.878 -1.751 4.665 170 HA ILE 27 HA ILE 27 -0.761 -3.963 5.897 171 HB ILE 27 HB ILE 27 -3.486 -2.748 6.391 172 HG12 ILE 27 HG12 ILE 27 -0.898 -2.252 7.872 173 HG13 ILE 27 HG13 ILE 27 -1.480 -1.220 6.581 174 HG21 ILE 27 HG21 ILE 27 -3.402 -4.929 7.389 175 HG22 ILE 27 HG22 ILE 27 -3.251 -3.725 8.670 176 HG23 ILE 27 HG23 ILE 27 -1.825 -4.596 8.100 177 HD11 ILE 27 HD11 ILE 27 -1.998 -0.298 8.761 178 HD12 ILE 27 HD12 ILE 27 -2.883 -1.765 9.186 179 HD13 ILE 27 HD13 ILE 27 -3.477 -0.718 7.896 180 H SER 28 H SER 28 -3.931 -3.752 4.263 181 HA SER 28 HA SER 28 -4.624 -6.433 4.690 182 HB2 SER 28 HB2 SER 28 -6.252 -6.072 2.797 183 HB3 SER 28 HB3 SER 28 -6.352 -4.900 4.110 184 HG SER 28 HG SER 28 -5.483 -3.367 2.848 185 H SER 29 H SER 29 -2.951 -4.886 1.974 186 HA SER 29 HA SER 29 -2.806 -7.145 0.318 187 HB2 SER 29 HB2 SER 29 -2.306 -4.724 -0.306 188 HB3 SER 29 HB3 SER 29 -0.732 -4.952 0.452 189 HG SER 29 HG SER 29 -1.809 -6.209 -1.827 190 H CYS 30 H CYS 30 -0.762 -5.991 2.942 191 HA CYS 30 HA CYS 30 1.365 -7.791 2.520 192 HB2 CYS 30 HB2 CYS 30 0.482 -6.237 4.943 193 HB3 CYS 30 HB3 CYS 30 1.947 -7.215 4.911 194 H LYS 31 H LYS 31 -1.382 -7.863 4.782 195 HA LYS 31 HA LYS 31 -0.786 -10.274 6.022 196 HB2 LYS 31 HB2 LYS 31 -3.486 -9.073 5.415 197 HB3 LYS 31 HB3 LYS 31 -3.175 -10.344 6.591 198 HG2 LYS 31 HG2 LYS 31 -2.162 -8.915 8.077 199 HG3 LYS 31 HG3 LYS 31 -1.692 -7.777 6.817 200 HD2 LYS 31 HD2 LYS 31 -3.396 -6.728 8.065 201 HD3 LYS 31 HD3 LYS 31 -4.127 -7.231 6.545 202 HE2 LYS 31 HE2 LYS 31 -4.343 -8.745 9.158 203 HE3 LYS 31 HE3 LYS 31 -5.548 -7.615 8.551 204 HZ1 LYS 31 HZ1 LYS 31 -6.215 -9.838 8.031 205 HZ2 LYS 31 HZ2 LYS 31 -4.744 -10.182 7.288 206 HZ3 LYS 31 HZ3 LYS 31 -5.799 -9.064 6.589 207 H PHE 32 H PHE 32 -2.645 -9.617 3.104 208 HA PHE 32 HA PHE 32 -3.581 -12.180 2.596 209 HB2 PHE 32 HB2 PHE 32 -3.815 -9.740 1.416 210 HB3 PHE 32 HB3 PHE 32 -2.827 -10.605 0.245 211 HD1 PHE 32 HD1 PHE 32 -6.059 -10.428 1.888 212 HD2 PHE 32 HD2 PHE 32 -3.696 -12.496 -0.969 213 HE1 PHE 32 HE1 PHE 32 -8.086 -11.531 1.016 214 HE2 PHE 32 HE2 PHE 32 -5.709 -13.603 -1.853 215 HZ PHE 32 HZ PHE 32 -7.910 -13.121 -0.859 216 H GLN 33 H GLN 33 -0.469 -10.707 1.867 217 HA GLN 33 HA GLN 33 0.315 -13.037 0.292 218 HB2 GLN 33 HB2 GLN 33 2.301 -11.742 -0.309 219 HB3 GLN 33 HB3 GLN 33 0.828 -10.850 -0.649 220 HG2 GLN 33 HG2 GLN 33 1.140 -9.548 1.374 221 HG3 GLN 33 HG3 GLN 33 2.615 -10.446 1.733 222 HE21 GLN 33 HE21 GLN 33 1.143 -8.033 -0.241 223 HE22 GLN 33 HE22 GLN 33 2.592 -7.437 -0.963 224 H ASN 34 H ASN 34 -0.043 -12.925 3.257 225 HA ASN 34 HA ASN 34 0.779 -14.132 4.990 226 HB2 ASN 34 HB2 ASN 34 1.559 -15.733 3.234 227 HB3 ASN 34 HB3 ASN 34 3.104 -14.894 3.207 228 HD21 ASN 34 HD21 ASN 34 4.276 -16.644 3.890 229 HD22 ASN 34 HD22 ASN 34 4.185 -17.265 5.503 230 H CYS 35 H CYS 35 1.223 -11.447 4.900 231 HA CYS 35 HA CYS 35 3.745 -11.309 6.397 232 HB2 CYS 35 HB2 CYS 35 2.431 -9.199 4.691 233 HB3 CYS 35 HB3 CYS 35 3.699 -8.828 5.853 234 H GLY 36 H GLY 36 3.671 -10.488 8.395 235 HA2 GLY 36 HA2 GLY 36 1.246 -10.605 9.806 236 HA3 GLY 36 HA3 GLY 36 2.745 -9.947 10.431 237 H THR 37 H THR 37 3.022 -7.811 8.623 238 HA THR 37 HA THR 37 0.591 -6.244 8.796 239 HB THR 37 HB THR 37 1.563 -6.054 11.074 240 HG1 THR 37 HG1 THR 37 0.632 -4.190 10.950 241 HG21 THR 37 HG21 THR 37 3.926 -6.274 10.514 242 HG22 THR 37 HG22 THR 37 3.641 -4.776 11.399 243 HG23 THR 37 HG23 THR 37 3.877 -4.737 9.651 244 H GLY 38 H GLY 38 1.114 -3.899 8.119 245 HA2 GLY 38 HA2 GLY 38 3.321 -3.721 6.248 246 HA3 GLY 38 HA3 GLY 38 1.701 -3.670 5.548 247 H HIS 39 H HIS 39 3.828 -1.622 5.656 248 HA HIS 39 HA HIS 39 2.059 0.508 6.420 249 HB2 HIS 39 HB2 HIS 39 3.479 1.657 7.943 250 HB3 HIS 39 HB3 HIS 39 3.421 -0.001 8.511 251 HD1 HIS 39 HD1 HIS 39 5.631 -1.263 8.644 252 HD2 HIS 39 HD2 HIS 39 5.972 2.461 6.833 253 HE1 HIS 39 HE1 HIS 39 8.098 -0.809 8.479 254 HE2 HIS 39 HE2 HIS 39 8.286 1.490 7.480 255 H CYS 40 H CYS 40 2.661 2.505 5.506 256 HA CYS 40 HA CYS 40 4.061 2.083 3.013 257 HB2 CYS 40 HB2 CYS 40 2.626 4.523 4.040 258 HB3 CYS 40 HB3 CYS 40 3.203 4.255 2.398 259 H GLU 41 H GLU 41 6.064 2.675 2.613 260 HA GLU 41 HA GLU 41 7.289 4.734 4.276 261 HB2 GLU 41 HB2 GLU 41 7.680 2.367 5.181 262 HB3 GLU 41 HB3 GLU 41 8.655 2.103 3.746 263 HG2 GLU 41 HG2 GLU 41 10.200 3.796 4.413 264 HG3 GLU 41 HG3 GLU 41 9.157 4.275 5.753 265 H ARG 42 H ARG 42 8.956 5.835 3.187 266 HA ARG 42 HA ARG 42 8.890 5.432 0.319 267 HB2 ARG 42 HB2 ARG 42 10.033 7.634 2.018 268 HB3 ARG 42 HB3 ARG 42 10.265 7.547 0.282 269 HG2 ARG 42 HG2 ARG 42 7.833 7.603 -0.020 270 HG3 ARG 42 HG3 ARG 42 7.643 7.788 1.726 271 HD2 ARG 42 HD2 ARG 42 7.505 9.970 0.815 272 HD3 ARG 42 HD3 ARG 42 9.115 9.840 1.518 273 HE ARG 42 HE ARG 42 9.299 9.108 -1.166 274 HH11 ARG 42 HH11 ARG 42 8.593 11.972 0.743 275 HH12 ARG 42 HH12 ARG 42 9.142 13.079 -0.466 276 HH21 ARG 42 HH21 ARG 42 10.017 10.605 -2.795 277 HH22 ARG 42 HH22 ARG 42 9.959 12.302 -2.471 278 H ARG 43 H ARG 43 10.345 4.408 -0.729 279 HA ARG 43 HA ARG 43 12.956 3.985 0.544 280 HB2 ARG 43 HB2 ARG 43 11.404 2.158 -1.302 281 HB3 ARG 43 HB3 ARG 43 13.055 1.867 -0.774 282 HG2 ARG 43 HG2 ARG 43 10.604 1.984 0.978 283 HG3 ARG 43 HG3 ARG 43 11.535 0.545 0.549 284 HD2 ARG 43 HD2 ARG 43 13.506 1.539 1.677 285 HD3 ARG 43 HD3 ARG 43 12.504 2.907 2.151 286 HE ARG 43 HE ARG 43 11.547 1.634 3.793 287 HH11 ARG 43 HH11 ARG 43 13.414 -0.451 1.676 288 HH12 ARG 43 HH12 ARG 43 13.347 -1.805 2.748 289 HH21 ARG 43 HH21 ARG 43 11.491 -0.104 5.210 290 HH22 ARG 43 HH22 ARG 43 12.241 -1.613 4.792 291 H GLY 44 H GLY 44 14.471 5.083 -0.413 292 HA2 GLY 44 HA2 GLY 44 15.608 6.300 -1.999 293 HA3 GLY 44 HA3 GLY 44 14.981 5.137 -3.161 294 H GLY 45 H GLY 45 13.269 7.512 -1.116 295 HA2 GLY 45 HA2 GLY 45 11.914 9.260 -1.672 296 HA3 GLY 45 HA3 GLY 45 12.637 9.247 -3.270 297 H ARG 46 H ARG 46 11.560 6.252 -2.798 298 HA ARG 46 HA ARG 46 9.122 6.844 -4.335 299 HB2 ARG 46 HB2 ARG 46 10.688 4.276 -4.171 300 HB3 ARG 46 HB3 ARG 46 9.213 4.491 -5.097 301 HG2 ARG 46 HG2 ARG 46 11.736 6.071 -5.539 302 HG3 ARG 46 HG3 ARG 46 11.298 4.622 -6.450 303 HD2 ARG 46 HD2 ARG 46 10.615 6.424 -7.807 304 HD3 ARG 46 HD3 ARG 46 9.136 5.859 -7.037 305 HE ARG 46 HE ARG 46 10.527 8.047 -5.724 306 HH11 ARG 46 HH11 ARG 46 7.956 7.107 -7.925 307 HH12 ARG 46 HH12 ARG 46 7.090 8.593 -7.754 308 HH21 ARG 46 HH21 ARG 46 9.368 10.014 -5.488 309 HH22 ARG 46 HH22 ARG 46 7.894 10.250 -6.360 310 HA PRO 47 HA PRO 47 6.938 5.719 -0.568 311 HB2 PRO 47 HB2 PRO 47 4.449 6.120 -1.634 312 HB3 PRO 47 HB3 PRO 47 5.454 7.407 -0.958 313 HG2 PRO 47 HG2 PRO 47 5.049 6.626 -3.816 314 HG3 PRO 47 HG3 PRO 47 5.150 8.245 -3.102 315 HD2 PRO 47 HD2 PRO 47 7.216 7.121 -4.400 316 HD3 PRO 47 HD3 PRO 47 7.452 8.193 -3.002 317 H THR 48 H THR 48 7.108 3.586 -0.285 318 HA THR 48 HA THR 48 5.675 1.821 -2.145 319 HB THR 48 HB THR 48 8.189 1.175 -0.571 320 HG1 THR 48 HG1 THR 48 8.327 2.755 -2.402 321 HG21 THR 48 HG21 THR 48 8.309 -0.801 -2.009 322 HG22 THR 48 HG22 THR 48 6.819 -0.320 -2.817 323 HG23 THR 48 HG23 THR 48 6.789 -0.782 -1.115 324 H CYS 49 H CYS 49 4.793 -0.089 -1.206 325 HA CYS 49 HA CYS 49 3.942 0.233 1.558 326 HB2 CYS 49 HB2 CYS 49 2.153 -0.340 0.077 327 HB3 CYS 49 HB3 CYS 49 3.104 -1.601 -0.694 328 H VAL 50 H VAL 50 5.465 -0.520 2.975 329 HA VAL 50 HA VAL 50 6.901 -2.912 2.157 330 HB VAL 50 HB VAL 50 8.623 -2.356 3.783 331 HG11 VAL 50 HG11 VAL 50 7.906 0.048 2.108 332 HG12 VAL 50 HG12 VAL 50 8.776 -1.378 1.543 333 HG13 VAL 50 HG13 VAL 50 9.502 -0.327 2.760 334 HG21 VAL 50 HG21 VAL 50 8.572 -0.268 5.054 335 HG22 VAL 50 HG22 VAL 50 7.228 -1.325 5.493 336 HG23 VAL 50 HG23 VAL 50 6.949 0.063 4.443 337 H CYS 51 H CYS 51 6.578 -4.746 3.139 338 HA CYS 51 HA CYS 51 4.675 -4.792 5.339 339 HB2 CYS 51 HB2 CYS 51 5.690 -7.114 3.707 340 HB3 CYS 51 HB3 CYS 51 4.313 -7.099 4.794 341 H SER 52 H SER 52 4.983 -6.216 7.112 342 HA SER 52 HA SER 52 7.764 -6.947 7.675 343 HB2 SER 52 HB2 SER 52 5.892 -5.587 9.634 344 HB3 SER 52 HB3 SER 52 7.553 -6.088 9.949 345 HG SER 52 HG SER 52 7.430 -4.538 7.748 346 H ARG 53 H ARG 53 7.900 -8.588 9.433 347 HA ARG 53 HA ARG 53 7.377 -10.654 10.234 348 HB2 ARG 53 HB2 ARG 53 4.598 -9.465 10.263 349 HB3 ARG 53 HB3 ARG 53 4.993 -11.026 10.967 350 HG2 ARG 53 HG2 ARG 53 6.253 -8.425 11.825 351 HG3 ARG 53 HG3 ARG 53 4.829 -9.127 12.589 352 HD2 ARG 53 HD2 ARG 53 6.697 -9.760 13.913 353 HD3 ARG 53 HD3 ARG 53 6.208 -11.194 13.013 354 HE ARG 53 HE ARG 53 8.249 -9.682 11.698 355 HH11 ARG 53 HH11 ARG 53 7.692 -12.096 14.209 356 HH12 ARG 53 HH12 ARG 53 9.278 -12.774 14.053 357 HH21 ARG 53 HH21 ARG 53 10.325 -10.588 11.511 358 HH22 ARG 53 HH22 ARG 53 10.781 -11.918 12.518 359 H CYS 54 H CYS 54 7.753 -10.526 7.611 360 HA CYS 54 HA CYS 54 5.603 -11.974 6.246 361 HB2 CYS 54 HB2 CYS 54 8.202 -10.862 5.174 362 HB3 CYS 54 HB3 CYS 54 6.974 -11.666 4.204 363 H GLY 55 H GLY 55 6.070 -13.986 5.046 364 HA2 GLY 55 HA2 GLY 55 6.914 -16.059 4.875 365 HA3 GLY 55 HA3 GLY 55 8.465 -15.388 5.353 366 H ASN 56 H ASN 56 9.252 -15.921 7.258 367 HA ASN 56 HA ASN 56 7.670 -17.662 8.977 368 HB2 ASN 56 HB2 ASN 56 10.601 -16.933 9.171 369 HB3 ASN 56 HB3 ASN 56 9.781 -18.215 10.051 370 HD21 ASN 56 HD21 ASN 56 9.142 -20.076 8.931 371 HD22 ASN 56 HD22 ASN 56 9.847 -20.491 7.409 372 H GLY 57 H GLY 57 6.914 -17.067 10.918 373 HA2 GLY 57 HA2 GLY 57 7.296 -14.330 11.773 374 HA3 GLY 57 HA3 GLY 57 6.249 -15.531 12.527 375 H GLY 58 H GLY 58 7.127 -17.005 14.028 376 HA2 GLY 58 HA2 GLY 58 8.777 -17.901 15.397 377 HA3 GLY 58 HA3 GLY 58 9.933 -16.768 14.716 378 H GLY 59 H GLY 59 10.515 -15.095 15.918 379 HA2 GLY 59 HA2 GLY 59 8.741 -14.370 18.156 380 HA3 GLY 59 HA3 GLY 59 10.486 -14.465 18.331 381 H GLU 60 H GLU 60 8.533 -12.233 18.665 382 HA GLU 60 HA GLU 60 10.151 -10.224 17.428 383 HB2 GLU 60 HB2 GLU 60 8.372 -9.062 16.239 384 HB3 GLU 60 HB3 GLU 60 8.567 -10.679 15.590 385 HG2 GLU 60 HG2 GLU 60 6.458 -9.992 17.616 386 HG3 GLU 60 HG3 GLU 60 6.198 -9.828 15.883 387 H TRP 61 H TRP 61 9.134 -8.001 17.996 388 HA TRP 61 HA TRP 61 8.510 -8.168 20.827 389 HB2 TRP 61 HB2 TRP 61 9.265 -5.798 19.129 390 HB3 TRP 61 HB3 TRP 61 9.030 -5.765 20.871 391 HD1 TRP 61 HD1 TRP 61 11.743 -5.643 18.644 392 HE1 TRP 61 HE1 TRP 61 13.892 -6.702 19.586 393 HE3 TRP 61 HE3 TRP 61 9.709 -8.347 22.482 394 HZ2 TRP 61 HZ2 TRP 61 14.627 -8.451 21.673 395 HZ3 TRP 61 HZ3 TRP 61 11.205 -9.686 23.901 396 HH2 TRP 61 HH2 TRP 61 13.613 -9.736 23.503 397 HA PRO 62 HA PRO 62 4.215 -7.492 20.038 398 HB2 PRO 62 HB2 PRO 62 3.599 -6.638 22.616 399 HB3 PRO 62 HB3 PRO 62 3.607 -8.313 22.063 400 HG2 PRO 62 HG2 PRO 62 5.648 -6.821 23.615 401 HG3 PRO 62 HG3 PRO 62 5.213 -8.533 23.682 402 HD2 PRO 62 HD2 PRO 62 7.463 -7.614 22.473 403 HD3 PRO 62 HD3 PRO 62 6.617 -9.084 21.953 404 H ASN 63 H ASN 63 5.866 -4.981 22.087 405 HA ASN 63 HA ASN 63 4.700 -2.975 20.307 406 HB2 ASN 63 HB2 ASN 63 4.610 -2.883 23.332 407 HB3 ASN 63 HB3 ASN 63 4.184 -1.544 22.276 408 HD21 ASN 63 HD21 ASN 63 2.335 -1.773 20.930 409 HD22 ASN 63 HD22 ASN 63 1.052 -2.843 21.374 410 H LEU 64 H LEU 64 7.328 -4.108 20.516 411 HA LEU 64 HA LEU 64 9.542 -3.554 20.560 412 HB2 LEU 64 HB2 LEU 64 8.471 -0.769 20.139 413 HB3 LEU 64 HB3 LEU 64 10.094 -1.317 19.776 414 HG LEU 64 HG LEU 64 7.592 -2.314 18.409 415 HD11 LEU 64 HD11 LEU 64 8.018 0.018 17.872 416 HD12 LEU 64 HD12 LEU 64 8.373 -1.014 16.486 417 HD13 LEU 64 HD13 LEU 64 9.692 -0.366 17.465 418 HD21 LEU 64 HD21 LEU 64 10.514 -2.766 17.795 419 HD22 LEU 64 HD22 LEU 64 9.156 -3.323 16.816 420 HD23 LEU 64 HD23 LEU 64 9.393 -3.961 18.442 421 HA PRO 65 HA PRO 65 9.973 -2.043 24.869 422 HB2 PRO 65 HB2 PRO 65 11.751 -3.912 25.655 423 HB3 PRO 65 HB3 PRO 65 10.016 -4.244 25.621 424 HG2 PRO 65 HG2 PRO 65 12.128 -5.013 23.654 425 HG3 PRO 65 HG3 PRO 65 10.758 -5.963 24.257 426 HD2 PRO 65 HD2 PRO 65 10.772 -4.672 21.840 427 HD3 PRO 65 HD3 PRO 65 9.299 -5.035 22.758 428 H SER 66 H SER 66 11.666 -0.735 25.631 429 HA SER 66 HA SER 66 14.252 -0.840 24.471 430 HB2 SER 66 HB2 SER 66 14.159 1.429 23.419 431 HB3 SER 66 HB3 SER 66 13.163 0.235 22.588 432 HG SER 66 HG SER 66 12.442 2.569 23.684 433 H ARG 67 H ARG 67 15.672 0.715 25.395 434 HA ARG 67 HA ARG 67 14.781 1.502 28.074 435 HB2 ARG 67 HB2 ARG 67 17.112 1.775 28.645 436 HB3 ARG 67 HB3 ARG 67 16.891 0.217 27.869 437 HG2 ARG 67 HG2 ARG 67 17.816 1.073 25.810 438 HG3 ARG 67 HG3 ARG 67 17.953 2.686 26.515 439 HD2 ARG 67 HD2 ARG 67 19.392 0.188 27.371 440 HD3 ARG 67 HD3 ARG 67 20.097 1.611 26.603 441 HE ARG 67 HE ARG 67 18.905 2.554 28.889 442 HH11 ARG 67 HH11 ARG 67 21.417 0.209 28.165 443 HH12 ARG 67 HH12 ARG 67 22.195 0.380 29.702 444 HH21 ARG 67 HH21 ARG 67 19.941 2.788 30.916 445 HH22 ARG 67 HH22 ARG 67 21.364 1.868 31.268 446 H GLY 68 H GLY 68 15.290 2.749 25.014 447 HA2 GLY 68 HA2 GLY 68 15.335 5.501 26.045 448 HA3 GLY 68 HA3 GLY 68 16.007 5.015 24.490 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 2.961 5.202 -20.064 2 H2 GLY 1 H2 GLY 1 1.946 5.441 -21.397 3 H3 GLY 1 H3 GLY 1 2.839 4.013 -21.259 4 HA2 GLY 1 HA2 GLY 1 0.553 3.602 -20.694 5 HA3 GLY 1 HA3 GLY 1 1.601 3.384 -19.298 6 H SER 2 H SER 2 -1.314 4.233 -19.771 7 HA SER 2 HA SER 2 -1.300 6.845 -18.505 8 HB2 SER 2 HB2 SER 2 -3.647 5.155 -19.381 9 HB3 SER 2 HB3 SER 2 -3.687 6.856 -18.922 10 HG SER 2 HG SER 2 -2.480 7.358 -20.724 11 H ALA 3 H ALA 3 -0.695 6.550 -16.409 12 HA ALA 3 HA ALA 3 -2.663 5.298 -14.685 13 HB1 ALA 3 HB1 ALA 3 -0.954 4.088 -13.403 14 HB2 ALA 3 HB2 ALA 3 0.271 4.576 -14.573 15 HB3 ALA 3 HB3 ALA 3 -1.041 3.504 -15.065 16 H LEU 4 H LEU 4 -2.934 6.485 -12.861 17 HA LEU 4 HA LEU 4 -1.410 8.921 -12.680 18 HB2 LEU 4 HB2 LEU 4 -2.972 9.682 -11.068 19 HB3 LEU 4 HB3 LEU 4 -3.874 8.875 -12.328 20 HG LEU 4 HG LEU 4 -3.187 7.492 -9.743 21 HD11 LEU 4 HD11 LEU 4 -5.432 8.131 -8.956 22 HD12 LEU 4 HD12 LEU 4 -5.622 9.162 -10.372 23 HD13 LEU 4 HD13 LEU 4 -4.383 9.531 -9.174 24 HD21 LEU 4 HD21 LEU 4 -3.924 6.010 -11.494 25 HD22 LEU 4 HD22 LEU 4 -5.292 7.055 -11.866 26 HD23 LEU 4 HD23 LEU 4 -5.232 6.193 -10.329 27 H ASP 5 H ASP 5 -1.659 5.895 -10.866 28 HA ASP 5 HA ASP 5 0.714 6.763 -9.405 29 HB2 ASP 5 HB2 ASP 5 -0.079 5.658 -7.384 30 HB3 ASP 5 HB3 ASP 5 -1.241 6.879 -7.891 31 H PHE 6 H PHE 6 2.252 5.207 -9.092 32 HA PHE 6 HA PHE 6 1.860 2.737 -10.617 33 HB2 PHE 6 HB2 PHE 6 4.333 2.576 -10.637 34 HB3 PHE 6 HB3 PHE 6 3.754 4.079 -11.341 35 HD1 PHE 6 HD2 PHE 6 4.030 6.206 -10.110 36 HD2 PHE 6 HD1 PHE 6 5.685 2.558 -8.670 37 HE1 PHE 6 HE2 PHE 6 5.503 7.472 -8.601 38 HE2 PHE 6 HE1 PHE 6 7.160 3.818 -7.160 39 HZ PHE 6 HZ PHE 6 7.071 6.278 -7.122 40 H THR 7 H THR 7 2.200 3.888 -7.431 41 HA THR 7 HA THR 7 2.616 1.150 -6.489 42 HB THR 7 HB THR 7 4.650 2.275 -5.979 43 HG1 THR 7 HG1 THR 7 4.174 1.097 -4.219 44 HG21 THR 7 HG21 THR 7 3.004 4.436 -4.675 45 HG22 THR 7 HG22 THR 7 3.823 4.579 -6.233 46 HG23 THR 7 HG23 THR 7 4.764 4.360 -4.754 47 H SER 8 H SER 8 1.452 0.455 -4.792 48 HA SER 8 HA SER 8 -1.099 1.462 -4.360 49 HB2 SER 8 HB2 SER 8 0.433 -0.325 -2.469 50 HB3 SER 8 HB3 SER 8 -1.315 -0.245 -2.695 51 HG SER 8 HG SER 8 -1.154 -1.510 -4.360 52 H CYS 9 H CYS 9 1.915 2.264 -2.780 53 HA CYS 9 HA CYS 9 0.443 3.654 -0.679 54 HB2 CYS 9 HB2 CYS 9 3.306 2.823 -0.939 55 HB3 CYS 9 HB3 CYS 9 2.796 4.003 0.266 56 H ALA 10 H ALA 10 1.041 4.536 -3.624 57 HA ALA 10 HA ALA 10 2.585 6.892 -3.473 58 HB1 ALA 10 HB1 ALA 10 1.527 7.533 -5.565 59 HB2 ALA 10 HB2 ALA 10 0.256 6.337 -5.308 60 HB3 ALA 10 HB3 ALA 10 1.914 5.812 -5.587 61 H ARG 11 H ARG 11 -0.692 6.216 -2.603 62 HA ARG 11 HA ARG 11 -1.606 8.894 -2.575 63 HB2 ARG 11 HB2 ARG 11 -3.529 7.983 -1.172 64 HB3 ARG 11 HB3 ARG 11 -3.360 7.376 -2.808 65 HG2 ARG 11 HG2 ARG 11 -2.100 5.827 -0.627 66 HG3 ARG 11 HG3 ARG 11 -3.858 5.808 -0.740 67 HD2 ARG 11 HD2 ARG 11 -1.905 5.034 -2.904 68 HD3 ARG 11 HD3 ARG 11 -2.913 3.948 -1.960 69 HE ARG 11 HE ARG 11 -4.757 5.492 -3.075 70 HH11 ARG 11 HH11 ARG 11 -1.926 3.966 -4.475 71 HH12 ARG 11 HH12 ARG 11 -2.600 3.826 -6.060 72 HH21 ARG 11 HH21 ARG 11 -5.702 5.255 -5.153 73 HH22 ARG 11 HH22 ARG 11 -4.781 4.552 -6.431 74 H MET 12 H MET 12 0.513 7.297 -0.486 75 HA MET 12 HA MET 12 -0.088 8.383 1.992 76 HB2 MET 12 HB2 MET 12 2.227 8.112 2.572 77 HB3 MET 12 HB3 MET 12 1.811 6.779 1.505 78 HG2 MET 12 HG2 MET 12 3.013 7.675 -0.279 79 HG3 MET 12 HG3 MET 12 3.054 9.284 0.433 80 HE1 MET 12 HE1 MET 12 4.381 5.635 0.596 81 HE2 MET 12 HE2 MET 12 3.955 5.843 2.298 82 HE3 MET 12 HE3 MET 12 5.647 5.720 1.819 83 H ASN 13 H ASN 13 0.668 10.058 -0.905 84 HA ASN 13 HA ASN 13 1.541 12.437 0.576 85 HB2 ASN 13 HB2 ASN 13 1.790 11.817 -2.382 86 HB3 ASN 13 HB3 ASN 13 2.356 13.283 -1.593 87 HD21 ASN 13 HD21 ASN 13 2.986 9.994 -2.285 88 HD22 ASN 13 HD22 ASN 13 4.562 9.920 -1.580 89 H ASP 14 H ASP 14 -1.218 11.412 0.351 90 HA ASP 14 HA ASP 14 -2.427 13.635 -1.166 91 HB2 ASP 14 HB2 ASP 14 -2.914 11.291 -2.070 92 HB3 ASP 14 HB3 ASP 14 -3.734 10.970 -0.564 93 H GLY 15 H GLY 15 -1.482 13.392 1.684 94 HA2 GLY 15 HA2 GLY 15 -2.285 14.579 3.533 95 HA3 GLY 15 HA3 GLY 15 -3.916 14.443 2.894 96 H ALA 16 H ALA 16 -4.105 13.991 5.330 97 HA ALA 16 HA ALA 16 -3.274 11.588 6.470 98 HB1 ALA 16 HB1 ALA 16 -5.021 11.951 8.128 99 HB2 ALA 16 HB2 ALA 16 -5.784 13.147 7.080 100 HB3 ALA 16 HB3 ALA 16 -4.187 13.460 7.759 101 H LEU 17 H LEU 17 -6.122 12.313 4.521 102 HA LEU 17 HA LEU 17 -7.406 9.807 4.888 103 HB2 LEU 17 HB2 LEU 17 -8.178 12.113 3.730 104 HB3 LEU 17 HB3 LEU 17 -7.694 11.239 2.294 105 HG LEU 17 HG LEU 17 -10.070 11.017 2.591 106 HD11 LEU 17 HD11 LEU 17 -8.688 8.449 3.320 107 HD12 LEU 17 HD12 LEU 17 -8.946 9.074 1.690 108 HD13 LEU 17 HD13 LEU 17 -10.326 8.592 2.677 109 HD21 LEU 17 HD21 LEU 17 -9.451 9.902 5.322 110 HD22 LEU 17 HD22 LEU 17 -11.043 9.945 4.567 111 HD23 LEU 17 HD23 LEU 17 -10.219 11.450 4.971 112 H GLY 18 H GLY 18 -5.210 11.089 2.429 113 HA2 GLY 18 HA2 GLY 18 -4.966 8.815 0.811 114 HA3 GLY 18 HA3 GLY 18 -3.744 10.058 1.016 115 H ALA 19 H ALA 19 -3.071 9.826 3.630 116 HA ALA 19 HA ALA 19 -1.267 7.706 3.701 117 HB1 ALA 19 HB1 ALA 19 -0.950 8.254 6.054 118 HB2 ALA 19 HB2 ALA 19 -2.440 9.200 6.045 119 HB3 ALA 19 HB3 ALA 19 -1.058 9.724 5.082 120 H LYS 20 H LYS 20 -4.519 7.983 4.976 121 HA LYS 20 HA LYS 20 -4.619 5.488 6.294 122 HB2 LYS 20 HB2 LYS 20 -6.366 7.637 5.914 123 HB3 LYS 20 HB3 LYS 20 -7.166 6.280 5.147 124 HG2 LYS 20 HG2 LYS 20 -7.926 6.394 7.399 125 HG3 LYS 20 HG3 LYS 20 -6.873 4.987 7.255 126 HD2 LYS 20 HD2 LYS 20 -6.394 6.198 9.309 127 HD3 LYS 20 HD3 LYS 20 -5.019 6.297 8.208 128 HE2 LYS 20 HE2 LYS 20 -5.406 8.462 9.203 129 HE3 LYS 20 HE3 LYS 20 -5.799 8.529 7.486 130 HZ1 LYS 20 HZ1 LYS 20 -7.775 8.222 9.682 131 HZ2 LYS 20 HZ2 LYS 20 -8.134 8.364 8.035 132 HZ3 LYS 20 HZ3 LYS 20 -7.438 9.659 8.864 133 H VAL 21 H VAL 21 -5.639 6.497 3.037 134 HA VAL 21 HA VAL 21 -6.570 3.996 2.179 135 HB VAL 21 HB VAL 21 -5.290 6.163 0.466 136 HG11 VAL 21 HG11 VAL 21 -7.184 3.913 -0.232 137 HG12 VAL 21 HG12 VAL 21 -5.494 4.047 -0.714 138 HG13 VAL 21 HG13 VAL 21 -6.680 5.198 -1.333 139 HG21 VAL 21 HG21 VAL 21 -7.112 7.072 1.795 140 HG22 VAL 21 HG22 VAL 21 -8.176 5.771 1.263 141 HG23 VAL 21 HG23 VAL 21 -7.585 6.956 0.100 142 H ALA 22 H ALA 22 -3.411 5.505 1.915 143 HA ALA 22 HA ALA 22 -2.049 3.528 0.512 144 HB1 ALA 22 HB1 ALA 22 -1.173 5.800 1.007 145 HB2 ALA 22 HB2 ALA 22 -0.017 4.516 1.351 146 HB3 ALA 22 HB3 ALA 22 -0.892 5.288 2.671 147 H GLN 23 H GLN 23 -2.179 3.989 4.044 148 HA GLN 23 HA GLN 23 -0.686 1.680 4.640 149 HB2 GLN 23 HB2 GLN 23 -1.204 2.043 6.914 150 HB3 GLN 23 HB3 GLN 23 -1.181 3.640 6.184 151 HG2 GLN 23 HG2 GLN 23 -3.621 3.607 6.061 152 HG3 GLN 23 HG3 GLN 23 -3.613 2.022 6.837 153 HE21 GLN 23 HE21 GLN 23 -3.135 1.861 9.006 154 HE22 GLN 23 HE22 GLN 23 -3.112 3.236 10.054 155 H ALA 24 H ALA 24 -4.173 2.195 4.306 156 HA ALA 24 HA ALA 24 -5.004 -0.309 5.261 157 HB1 ALA 24 HB1 ALA 24 -6.341 1.454 3.205 158 HB2 ALA 24 HB2 ALA 24 -6.528 1.588 4.955 159 HB3 ALA 24 HB3 ALA 24 -7.108 0.150 4.113 160 H ALA 25 H ALA 25 -4.363 0.823 1.966 161 HA ALA 25 HA ALA 25 -4.915 -1.607 0.673 162 HB1 ALA 25 HB1 ALA 25 -3.693 -0.680 -1.220 163 HB2 ALA 25 HB2 ALA 25 -3.013 0.575 -0.184 164 HB3 ALA 25 HB3 ALA 25 -4.747 0.541 -0.505 165 H CYS 26 H CYS 26 -2.008 -0.366 2.231 166 HA CYS 26 HA CYS 26 -0.280 -2.360 1.176 167 HB2 CYS 26 HB2 CYS 26 0.424 -0.084 1.989 168 HB3 CYS 26 HB3 CYS 26 0.136 -0.649 3.632 169 H ILE 27 H ILE 27 -1.699 -1.830 4.421 170 HA ILE 27 HA ILE 27 -0.693 -4.087 5.672 171 HB ILE 27 HB ILE 27 -3.333 -2.686 6.139 172 HG12 ILE 27 HG12 ILE 27 -0.693 -2.393 7.590 173 HG13 ILE 27 HG13 ILE 27 -1.290 -1.283 6.366 174 HG21 ILE 27 HG21 ILE 27 -1.865 -4.650 7.899 175 HG22 ILE 27 HG22 ILE 27 -3.440 -4.882 7.132 176 HG23 ILE 27 HG23 ILE 27 -3.247 -3.679 8.406 177 HD11 ILE 27 HD11 ILE 27 -3.176 -0.724 7.777 178 HD12 ILE 27 HD12 ILE 27 -1.653 -0.441 8.617 179 HD13 ILE 27 HD13 ILE 27 -2.620 -1.867 8.998 180 H SER 28 H SER 28 -3.814 -3.708 4.012 181 HA SER 28 HA SER 28 -4.741 -6.307 4.455 182 HB2 SER 28 HB2 SER 28 -6.202 -5.882 2.439 183 HB3 SER 28 HB3 SER 28 -6.288 -4.663 3.709 184 HG SER 28 HG SER 28 -5.170 -3.264 2.482 185 H SER 29 H SER 29 -2.924 -4.998 1.686 186 HA SER 29 HA SER 29 -2.882 -7.385 0.205 187 HB2 SER 29 HB2 SER 29 -0.900 -5.101 0.177 188 HB3 SER 29 HB3 SER 29 -1.043 -6.352 -1.059 189 HG SER 29 HG SER 29 -2.769 -4.228 -0.435 190 H CYS 30 H CYS 30 -0.813 -6.191 2.812 191 HA CYS 30 HA CYS 30 1.226 -8.106 2.466 192 HB2 CYS 30 HB2 CYS 30 0.375 -6.376 4.775 193 HB3 CYS 30 HB3 CYS 30 1.760 -7.460 4.869 194 H LYS 31 H LYS 31 -1.530 -7.909 4.680 195 HA LYS 31 HA LYS 31 -1.191 -10.327 5.966 196 HB2 LYS 31 HB2 LYS 31 -3.770 -8.936 5.242 197 HB3 LYS 31 HB3 LYS 31 -3.602 -10.193 6.463 198 HG2 LYS 31 HG2 LYS 31 -2.427 -8.814 7.912 199 HG3 LYS 31 HG3 LYS 31 -1.941 -7.716 6.624 200 HD2 LYS 31 HD2 LYS 31 -3.587 -6.644 7.990 201 HD3 LYS 31 HD3 LYS 31 -4.285 -6.992 6.409 202 HE2 LYS 31 HE2 LYS 31 -5.866 -7.485 8.172 203 HE3 LYS 31 HE3 LYS 31 -5.386 -8.974 7.355 204 HZ1 LYS 31 HZ1 LYS 31 -5.444 -9.233 9.767 205 HZ2 LYS 31 HZ2 LYS 31 -4.306 -8.002 9.954 206 HZ3 LYS 31 HZ3 LYS 31 -3.871 -9.440 9.192 207 H PHE 32 H PHE 32 -2.859 -9.684 2.884 208 HA PHE 32 HA PHE 32 -3.854 -12.231 2.433 209 HB2 PHE 32 HB2 PHE 32 -2.989 -10.030 0.589 210 HB3 PHE 32 HB3 PHE 32 -3.618 -11.542 -0.031 211 HD1 PHE 32 HD2 PHE 32 -5.757 -12.034 2.029 212 HD2 PHE 32 HD1 PHE 32 -4.625 -8.506 -0.061 213 HE1 PHE 32 HE2 PHE 32 -8.037 -11.158 2.283 214 HE2 PHE 32 HE1 PHE 32 -6.905 -7.624 0.190 215 HZ PHE 32 HZ PHE 32 -8.614 -8.951 1.362 216 H GLN 33 H GLN 33 -0.596 -11.008 1.970 217 HA GLN 33 HA GLN 33 0.165 -13.497 0.630 218 HB2 GLN 33 HB2 GLN 33 2.306 -12.361 0.134 219 HB3 GLN 33 HB3 GLN 33 0.909 -11.510 -0.501 220 HG2 GLN 33 HG2 GLN 33 1.011 -9.995 1.442 221 HG3 GLN 33 HG3 GLN 33 2.502 -10.795 1.941 222 HE21 GLN 33 HE21 GLN 33 1.022 -8.662 -0.322 223 HE22 GLN 33 HE22 GLN 33 2.473 -8.096 -1.066 224 H ASN 34 H ASN 34 -0.412 -13.190 3.535 225 HA ASN 34 HA ASN 34 0.221 -14.350 5.402 226 HB2 ASN 34 HB2 ASN 34 1.213 -15.983 3.679 227 HB3 ASN 34 HB3 ASN 34 2.759 -15.212 4.033 228 HD21 ASN 34 HD21 ASN 34 3.687 -17.002 4.917 229 HD22 ASN 34 HD22 ASN 34 3.207 -17.665 6.439 230 H CYS 35 H CYS 35 1.019 -11.566 4.908 231 HA CYS 35 HA CYS 35 3.434 -11.504 6.546 232 HB2 CYS 35 HB2 CYS 35 2.161 -9.390 4.814 233 HB3 CYS 35 HB3 CYS 35 3.539 -9.092 5.866 234 H GLY 36 H GLY 36 3.386 -10.577 8.517 235 HA2 GLY 36 HA2 GLY 36 1.021 -10.582 9.979 236 HA3 GLY 36 HA3 GLY 36 2.510 -9.811 10.493 237 H THR 37 H THR 37 2.764 -7.847 8.661 238 HA THR 37 HA THR 37 0.309 -6.345 8.490 239 HB THR 37 HB THR 37 1.005 -5.956 10.847 240 HG1 THR 37 HG1 THR 37 -0.076 -4.215 10.231 241 HG21 THR 37 HG21 THR 37 3.425 -6.148 10.581 242 HG22 THR 37 HG22 THR 37 3.008 -4.595 11.309 243 HG23 THR 37 HG23 THR 37 3.447 -4.681 9.603 244 H GLY 38 H GLY 38 1.104 -3.928 7.937 245 HA2 GLY 38 HA2 GLY 38 3.346 -3.972 6.098 246 HA3 GLY 38 HA3 GLY 38 1.762 -3.790 5.347 247 H HIS 39 H HIS 39 3.982 -1.926 5.381 248 HA HIS 39 HA HIS 39 2.424 0.349 6.225 249 HB2 HIS 39 HB2 HIS 39 4.084 1.391 7.599 250 HB3 HIS 39 HB3 HIS 39 3.835 -0.227 8.229 251 HD1 HIS 39 HD1 HIS 39 5.854 -1.825 8.192 252 HD2 HIS 39 HD2 HIS 39 6.602 1.859 6.418 253 HE1 HIS 39 HE1 HIS 39 8.342 -1.713 7.899 254 HE2 HIS 39 HE2 HIS 39 8.783 0.610 7.051 255 H CYS 40 H CYS 40 2.982 2.228 5.194 256 HA CYS 40 HA CYS 40 4.288 1.764 2.672 257 HB2 CYS 40 HB2 CYS 40 2.959 4.219 3.786 258 HB3 CYS 40 HB3 CYS 40 3.537 4.015 2.134 259 H GLU 41 H GLU 41 6.301 2.246 2.214 260 HA GLU 41 HA GLU 41 7.690 4.107 4.010 261 HB2 GLU 41 HB2 GLU 41 8.261 1.675 4.441 262 HB3 GLU 41 HB3 GLU 41 8.905 1.615 2.819 263 HG2 GLU 41 HG2 GLU 41 10.591 1.920 4.605 264 HG3 GLU 41 HG3 GLU 41 10.624 3.148 3.342 265 H ARG 42 H ARG 42 9.058 5.559 3.009 266 HA ARG 42 HA ARG 42 8.978 5.528 0.106 267 HB2 ARG 42 HB2 ARG 42 9.781 7.647 2.082 268 HB3 ARG 42 HB3 ARG 42 10.104 7.799 0.362 269 HG2 ARG 42 HG2 ARG 42 7.704 7.492 -0.068 270 HG3 ARG 42 HG3 ARG 42 7.419 7.527 1.677 271 HD2 ARG 42 HD2 ARG 42 6.999 9.715 1.001 272 HD3 ARG 42 HD3 ARG 42 8.662 9.788 1.588 273 HE ARG 42 HE ARG 42 8.920 9.274 -1.070 274 HH11 ARG 42 HH11 ARG 42 7.258 11.750 0.792 275 HH12 ARG 42 HH12 ARG 42 7.414 12.961 -0.431 276 HH21 ARG 42 HH21 ARG 42 9.106 10.891 -2.708 277 HH22 ARG 42 HH22 ARG 42 8.469 12.476 -2.427 278 H ARG 43 H ARG 43 10.465 4.641 -0.966 279 HA ARG 43 HA ARG 43 13.087 4.230 0.281 280 HB2 ARG 43 HB2 ARG 43 12.249 2.778 -2.193 281 HB3 ARG 43 HB3 ARG 43 13.257 2.224 -0.864 282 HG2 ARG 43 HG2 ARG 43 10.254 2.517 -0.819 283 HG3 ARG 43 HG3 ARG 43 11.150 1.004 -0.922 284 HD2 ARG 43 HD2 ARG 43 11.474 2.920 1.368 285 HD3 ARG 43 HD3 ARG 43 10.219 1.688 1.349 286 HE ARG 43 HE ARG 43 11.969 0.024 1.261 287 HH11 ARG 43 HH11 ARG 43 12.908 3.263 2.261 288 HH12 ARG 43 HH12 ARG 43 14.310 2.734 3.116 289 HH21 ARG 43 HH21 ARG 43 13.835 -0.679 2.406 290 HH22 ARG 43 HH22 ARG 43 14.842 0.481 3.199 291 H GLY 44 H GLY 44 14.322 5.942 -0.318 292 HA2 GLY 44 HA2 GLY 44 15.450 7.402 -1.679 293 HA3 GLY 44 HA3 GLY 44 15.158 6.262 -2.986 294 H GLY 45 H GLY 45 13.069 8.371 -0.978 295 HA2 GLY 45 HA2 GLY 45 11.504 9.897 -1.566 296 HA3 GLY 45 HA3 GLY 45 12.249 9.958 -3.150 297 H ARG 46 H ARG 46 11.636 6.898 -3.001 298 HA ARG 46 HA ARG 46 9.099 7.249 -4.424 299 HB2 ARG 46 HB2 ARG 46 10.937 4.860 -4.425 300 HB3 ARG 46 HB3 ARG 46 9.520 5.079 -5.445 301 HG2 ARG 46 HG2 ARG 46 11.988 6.801 -5.468 302 HG3 ARG 46 HG3 ARG 46 11.584 5.558 -6.659 303 HD2 ARG 46 HD2 ARG 46 9.615 6.806 -7.328 304 HD3 ARG 46 HD3 ARG 46 9.905 7.995 -6.061 305 HE ARG 46 HE ARG 46 12.003 7.634 -8.041 306 HH11 ARG 46 HH11 ARG 46 9.268 9.551 -6.926 307 HH12 ARG 46 HH12 ARG 46 9.729 10.949 -7.831 308 HH21 ARG 46 HH21 ARG 46 12.610 9.512 -9.220 309 HH22 ARG 46 HH22 ARG 46 11.632 10.932 -9.123 310 HA PRO 47 HA PRO 47 7.052 5.578 -0.766 311 HB2 PRO 47 HB2 PRO 47 4.725 5.968 -2.548 312 HB3 PRO 47 HB3 PRO 47 4.996 6.561 -0.909 313 HG2 PRO 47 HG2 PRO 47 5.089 8.207 -3.006 314 HG3 PRO 47 HG3 PRO 47 6.175 8.405 -1.619 315 HD2 PRO 47 HD2 PRO 47 6.728 7.251 -4.313 316 HD3 PRO 47 HD3 PRO 47 7.749 8.276 -3.276 317 H THR 48 H THR 48 6.884 3.451 -0.473 318 HA THR 48 HA THR 48 5.553 1.849 -2.522 319 HB THR 48 HB THR 48 8.126 0.831 -1.298 320 HG1 THR 48 HG1 THR 48 7.762 2.725 -3.277 321 HG21 THR 48 HG21 THR 48 6.594 0.147 -3.814 322 HG22 THR 48 HG22 THR 48 6.622 -0.813 -2.332 323 HG23 THR 48 HG23 THR 48 8.094 -0.624 -3.290 324 H CYS 49 H CYS 49 4.766 -0.215 -1.708 325 HA CYS 49 HA CYS 49 4.070 -0.048 1.103 326 HB2 CYS 49 HB2 CYS 49 2.234 -0.566 -0.330 327 HB3 CYS 49 HB3 CYS 49 3.148 -1.821 -1.160 328 H VAL 50 H VAL 50 5.419 -0.960 2.552 329 HA VAL 50 HA VAL 50 6.772 -3.408 1.715 330 HB VAL 50 HB VAL 50 8.645 -2.889 3.175 331 HG11 VAL 50 HG11 VAL 50 7.946 -0.532 1.426 332 HG12 VAL 50 HG12 VAL 50 8.729 -2.024 0.895 333 HG13 VAL 50 HG13 VAL 50 9.558 -0.939 2.014 334 HG21 VAL 50 HG21 VAL 50 8.823 -0.741 4.329 335 HG22 VAL 50 HG22 VAL 50 7.464 -1.693 4.929 336 HG23 VAL 50 HG23 VAL 50 7.179 -0.341 3.831 337 H CYS 51 H CYS 51 6.420 -5.181 2.861 338 HA CYS 51 HA CYS 51 4.532 -5.014 5.041 339 HB2 CYS 51 HB2 CYS 51 5.701 -7.463 3.725 340 HB3 CYS 51 HB3 CYS 51 4.335 -7.413 4.824 341 H SER 52 H SER 52 4.805 -5.947 7.069 342 HA SER 52 HA SER 52 7.559 -6.607 7.827 343 HB2 SER 52 HB2 SER 52 5.674 -4.829 9.397 344 HB3 SER 52 HB3 SER 52 7.306 -5.291 9.880 345 HG SER 52 HG SER 52 7.607 -4.322 7.508 346 H ARG 53 H ARG 53 7.688 -7.867 9.845 347 HA ARG 53 HA ARG 53 7.143 -9.723 11.073 348 HB2 ARG 53 HB2 ARG 53 4.370 -8.511 10.988 349 HB3 ARG 53 HB3 ARG 53 4.893 -9.770 12.091 350 HG2 ARG 53 HG2 ARG 53 6.097 -7.006 12.005 351 HG3 ARG 53 HG3 ARG 53 4.782 -7.475 13.080 352 HD2 ARG 53 HD2 ARG 53 6.744 -7.650 14.375 353 HD3 ARG 53 HD3 ARG 53 6.332 -9.302 13.937 354 HE ARG 53 HE ARG 53 8.090 -8.634 12.012 355 HH11 ARG 53 HH11 ARG 53 8.223 -8.305 15.500 356 HH12 ARG 53 HH12 ARG 53 9.942 -8.451 15.579 357 HH21 ARG 53 HH21 ARG 53 10.374 -8.825 12.113 358 HH22 ARG 53 HH22 ARG 53 11.177 -8.744 13.639 359 H CYS 54 H CYS 54 7.345 -10.170 8.474 360 HA CYS 54 HA CYS 54 5.001 -11.758 7.648 361 HB2 CYS 54 HB2 CYS 54 5.823 -9.876 6.139 362 HB3 CYS 54 HB3 CYS 54 7.254 -10.862 5.861 363 H GLY 55 H GLY 55 5.589 -13.733 6.257 364 HA2 GLY 55 HA2 GLY 55 7.225 -15.473 7.702 365 HA3 GLY 55 HA3 GLY 55 6.635 -15.727 6.058 366 H ASN 56 H ASN 56 9.334 -15.898 7.608 367 HA ASN 56 HA ASN 56 10.908 -14.779 5.405 368 HB2 ASN 56 HB2 ASN 56 11.100 -13.184 7.241 369 HB3 ASN 56 HB3 ASN 56 11.561 -14.474 8.345 370 HD21 ASN 56 HD21 ASN 56 13.484 -13.445 8.840 371 HD22 ASN 56 HD22 ASN 56 14.826 -13.410 7.753 372 H GLY 57 H GLY 57 11.374 -16.663 4.478 373 HA2 GLY 57 HA2 GLY 57 12.580 -18.581 4.092 374 HA3 GLY 57 HA3 GLY 57 13.441 -18.263 5.592 375 H GLY 58 H GLY 58 13.383 -20.087 6.709 376 HA2 GLY 58 HA2 GLY 58 11.409 -20.993 8.242 377 HA3 GLY 58 HA3 GLY 58 11.001 -21.743 6.705 378 H GLY 59 H GLY 59 12.094 -22.682 9.431 379 HA2 GLY 59 HA2 GLY 59 14.289 -24.283 8.288 380 HA3 GLY 59 HA3 GLY 59 14.251 -23.753 9.962 381 H GLU 60 H GLU 60 12.066 -25.413 7.711 382 HA GLU 60 HA GLU 60 11.051 -27.016 9.856 383 HB2 GLU 60 HB2 GLU 60 9.766 -28.225 8.099 384 HB3 GLU 60 HB3 GLU 60 9.457 -26.500 8.186 385 HG2 GLU 60 HG2 GLU 60 11.398 -27.657 6.213 386 HG3 GLU 60 HG3 GLU 60 9.668 -27.582 5.884 387 H TRP 61 H TRP 61 11.910 -28.618 10.641 388 HA TRP 61 HA TRP 61 13.930 -30.172 9.163 389 HB2 TRP 61 HB2 TRP 61 13.504 -29.863 12.131 390 HB3 TRP 61 HB3 TRP 61 14.674 -30.956 11.398 391 HD1 TRP 61 HD1 TRP 61 16.253 -29.403 9.420 392 HE1 TRP 61 HE1 TRP 61 17.567 -27.273 9.985 393 HE3 TRP 61 HE3 TRP 61 13.787 -28.049 13.684 394 HZ2 TRP 61 HZ2 TRP 61 17.566 -25.279 11.986 395 HZ3 TRP 61 HZ3 TRP 61 14.508 -26.017 14.864 396 HH2 TRP 61 HH2 TRP 61 16.356 -24.666 14.032 397 HA PRO 62 HA PRO 62 10.736 -33.316 9.053 398 HB2 PRO 62 HB2 PRO 62 12.338 -35.189 7.815 399 HB3 PRO 62 HB3 PRO 62 11.401 -33.957 6.965 400 HG2 PRO 62 HG2 PRO 62 14.302 -33.986 7.672 401 HG3 PRO 62 HG3 PRO 62 13.509 -33.391 6.203 402 HD2 PRO 62 HD2 PRO 62 14.381 -31.736 8.140 403 HD3 PRO 62 HD3 PRO 62 12.939 -31.381 7.175 404 H ASN 63 H ASN 63 14.044 -34.577 9.508 405 HA ASN 63 HA ASN 63 13.080 -36.372 11.577 406 HB2 ASN 63 HB2 ASN 63 15.234 -37.433 11.476 407 HB3 ASN 63 HB3 ASN 63 14.698 -37.134 9.829 408 HD21 ASN 63 HD21 ASN 63 16.873 -36.101 12.355 409 HD22 ASN 63 HD22 ASN 63 17.988 -35.268 11.329 410 H LEU 64 H LEU 64 14.527 -33.274 11.443 411 HA LEU 64 HA LEU 64 15.372 -31.862 12.957 412 HB2 LEU 64 HB2 LEU 64 14.051 -33.763 14.868 413 HB3 LEU 64 HB3 LEU 64 14.942 -32.362 15.422 414 HG LEU 64 HG LEU 64 13.379 -31.055 13.843 415 HD11 LEU 64 HD11 LEU 64 11.123 -32.062 13.700 416 HD12 LEU 64 HD12 LEU 64 11.832 -33.592 14.219 417 HD13 LEU 64 HD13 LEU 64 12.341 -32.854 12.704 418 HD21 LEU 64 HD21 LEU 64 12.411 -32.244 16.433 419 HD22 LEU 64 HD22 LEU 64 11.727 -30.820 15.652 420 HD23 LEU 64 HD23 LEU 64 13.388 -30.789 16.245 421 HA PRO 65 HA PRO 65 19.279 -34.040 13.495 422 HB2 PRO 65 HB2 PRO 65 20.409 -31.366 13.073 423 HB3 PRO 65 HB3 PRO 65 20.655 -32.835 12.127 424 HG2 PRO 65 HG2 PRO 65 19.248 -30.726 11.185 425 HG3 PRO 65 HG3 PRO 65 18.870 -32.400 10.737 426 HD2 PRO 65 HD2 PRO 65 17.536 -30.619 12.739 427 HD3 PRO 65 HD3 PRO 65 16.801 -31.733 11.568 428 H SER 66 H SER 66 18.709 -34.266 15.734 429 HA SER 66 HA SER 66 19.085 -32.039 17.538 430 HB2 SER 66 HB2 SER 66 18.595 -34.957 18.172 431 HB3 SER 66 HB3 SER 66 18.385 -33.586 19.263 432 HG SER 66 HG SER 66 16.982 -33.655 16.822 433 H ARG 67 H ARG 67 21.441 -32.628 16.100 434 HA ARG 67 HA ARG 67 23.237 -33.155 18.279 435 HB2 ARG 67 HB2 ARG 67 22.928 -35.428 17.582 436 HB3 ARG 67 HB3 ARG 67 23.073 -34.999 15.887 437 HG2 ARG 67 HG2 ARG 67 25.396 -34.480 17.671 438 HG3 ARG 67 HG3 ARG 67 25.047 -36.145 17.207 439 HD2 ARG 67 HD2 ARG 67 25.306 -35.666 14.912 440 HD3 ARG 67 HD3 ARG 67 25.224 -33.929 15.190 441 HE ARG 67 HE ARG 67 27.414 -34.039 16.172 442 HH11 ARG 67 HH11 ARG 67 26.396 -36.937 14.448 443 HH12 ARG 67 HH12 ARG 67 28.008 -37.458 14.110 444 HH21 ARG 67 HH21 ARG 67 29.565 -34.744 15.700 445 HH22 ARG 67 HH22 ARG 67 29.807 -36.212 14.814 446 H GLY 68 H GLY 68 25.256 -32.274 17.970 447 HA2 GLY 68 HA2 GLY 68 25.916 -31.142 15.370 448 HA3 GLY 68 HA3 GLY 68 25.751 -30.030 16.725 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 0.163 -0.868 -15.310 2 H2 GLY 1 H2 GLY 1 1.780 -0.683 -15.745 3 H3 GLY 1 H3 GLY 1 0.877 -1.967 -16.374 4 HA2 GLY 1 HA2 GLY 1 1.140 -0.273 -18.036 5 HA3 GLY 1 HA3 GLY 1 -0.542 -0.415 -17.545 6 H SER 2 H SER 2 -0.555 1.789 -18.524 7 HA SER 2 HA SER 2 0.718 3.886 -17.023 8 HB2 SER 2 HB2 SER 2 -1.354 4.090 -19.218 9 HB3 SER 2 HB3 SER 2 -0.307 5.384 -18.634 10 HG SER 2 HG SER 2 0.367 4.238 -20.611 11 H ALA 3 H ALA 3 -0.114 3.898 -14.978 12 HA ALA 3 HA ALA 3 -2.950 4.657 -14.770 13 HB1 ALA 3 HB1 ALA 3 -2.648 2.359 -13.974 14 HB2 ALA 3 HB2 ALA 3 -3.103 3.445 -12.661 15 HB3 ALA 3 HB3 ALA 3 -1.429 2.917 -12.830 16 H LEU 4 H LEU 4 -3.327 5.661 -12.481 17 HA LEU 4 HA LEU 4 -1.518 7.877 -12.311 18 HB2 LEU 4 HB2 LEU 4 -3.038 8.873 -10.764 19 HB3 LEU 4 HB3 LEU 4 -3.980 8.145 -12.040 20 HG LEU 4 HG LEU 4 -3.588 6.863 -9.330 21 HD11 LEU 4 HD11 LEU 4 -5.847 7.665 -8.812 22 HD12 LEU 4 HD12 LEU 4 -5.852 8.590 -10.314 23 HD13 LEU 4 HD13 LEU 4 -4.703 8.989 -9.036 24 HD21 LEU 4 HD21 LEU 4 -5.507 6.328 -11.600 25 HD22 LEU 4 HD22 LEU 4 -5.644 5.620 -9.994 26 HD23 LEU 4 HD23 LEU 4 -4.244 5.254 -10.995 27 H ASP 5 H ASP 5 -2.440 5.237 -10.124 28 HA ASP 5 HA ASP 5 -0.151 5.935 -8.455 29 HB2 ASP 5 HB2 ASP 5 -1.056 4.496 -6.750 30 HB3 ASP 5 HB3 ASP 5 -2.372 5.496 -7.350 31 H PHE 6 H PHE 6 1.652 4.765 -8.417 32 HA PHE 6 HA PHE 6 1.730 2.379 -10.108 33 HB2 PHE 6 HB2 PHE 6 4.164 2.732 -10.234 34 HB3 PHE 6 HB3 PHE 6 3.292 4.159 -10.773 35 HD1 PHE 6 HD2 PHE 6 3.093 6.119 -9.181 36 HD2 PHE 6 HD1 PHE 6 5.709 2.838 -8.498 37 HE1 PHE 6 HE2 PHE 6 4.379 7.480 -7.584 38 HE2 PHE 6 HE1 PHE 6 6.994 4.186 -6.905 39 HZ PHE 6 HZ PHE 6 6.335 6.508 -6.444 40 H THR 7 H THR 7 2.135 3.600 -6.936 41 HA THR 7 HA THR 7 2.711 0.907 -5.960 42 HB THR 7 HB THR 7 3.627 2.196 -3.902 43 HG1 THR 7 HG1 THR 7 4.292 4.247 -4.262 44 HG21 THR 7 HG21 THR 7 5.165 2.171 -6.503 45 HG22 THR 7 HG22 THR 7 5.033 0.830 -5.366 46 HG23 THR 7 HG23 THR 7 5.873 2.307 -4.894 47 H SER 8 H SER 8 1.533 0.233 -4.153 48 HA SER 8 HA SER 8 -1.086 1.166 -3.934 49 HB2 SER 8 HB2 SER 8 0.371 -0.408 -1.815 50 HB3 SER 8 HB3 SER 8 -1.343 -0.465 -2.227 51 HG SER 8 HG SER 8 -0.558 -1.211 -4.372 52 H CYS 9 H CYS 9 1.813 2.203 -2.360 53 HA CYS 9 HA CYS 9 0.271 3.670 -0.359 54 HB2 CYS 9 HB2 CYS 9 3.162 2.897 -0.506 55 HB3 CYS 9 HB3 CYS 9 2.565 4.088 0.645 56 H ALA 10 H ALA 10 0.932 4.378 -3.342 57 HA ALA 10 HA ALA 10 2.489 6.724 -3.299 58 HB1 ALA 10 HB1 ALA 10 0.213 6.053 -5.165 59 HB2 ALA 10 HB2 ALA 10 1.880 5.514 -5.355 60 HB3 ALA 10 HB3 ALA 10 1.492 7.234 -5.458 61 H ARG 11 H ARG 11 -0.829 6.131 -2.492 62 HA ARG 11 HA ARG 11 -1.729 8.794 -2.550 63 HB2 ARG 11 HB2 ARG 11 -3.558 7.912 -0.969 64 HB3 ARG 11 HB3 ARG 11 -3.478 7.281 -2.602 65 HG2 ARG 11 HG2 ARG 11 -1.987 5.778 -0.568 66 HG3 ARG 11 HG3 ARG 11 -3.746 5.753 -0.425 67 HD2 ARG 11 HD2 ARG 11 -2.185 5.053 -2.909 68 HD3 ARG 11 HD3 ARG 11 -2.857 3.887 -1.773 69 HE ARG 11 HE ARG 11 -4.787 5.730 -2.840 70 HH11 ARG 11 HH11 ARG 11 -3.136 2.680 -3.332 71 HH12 ARG 11 HH12 ARG 11 -4.360 2.022 -4.359 72 HH21 ARG 11 HH21 ARG 11 -6.433 4.865 -4.193 73 HH22 ARG 11 HH22 ARG 11 -6.248 3.277 -4.851 74 H MET 12 H MET 12 0.469 7.344 -0.425 75 HA MET 12 HA MET 12 -0.121 8.550 2.011 76 HB2 MET 12 HB2 MET 12 2.167 8.244 2.628 77 HB3 MET 12 HB3 MET 12 1.767 6.905 1.563 78 HG2 MET 12 HG2 MET 12 3.023 7.752 -0.194 79 HG3 MET 12 HG3 MET 12 3.035 9.383 0.467 80 HE1 MET 12 HE1 MET 12 5.552 5.886 2.135 81 HE2 MET 12 HE2 MET 12 4.485 5.760 0.736 82 HE3 MET 12 HE3 MET 12 3.803 5.994 2.349 83 H ASN 13 H ASN 13 0.681 10.073 -0.979 84 HA ASN 13 HA ASN 13 1.494 12.529 0.422 85 HB2 ASN 13 HB2 ASN 13 1.955 11.761 -2.477 86 HB3 ASN 13 HB3 ASN 13 2.445 13.276 -1.734 87 HD21 ASN 13 HD21 ASN 13 3.245 10.040 -2.343 88 HD22 ASN 13 HD22 ASN 13 4.746 10.004 -1.481 89 H ASP 14 H ASP 14 -1.232 11.413 -0.014 90 HA ASP 14 HA ASP 14 -2.329 13.439 -1.855 91 HB2 ASP 14 HB2 ASP 14 -2.775 10.897 -2.230 92 HB3 ASP 14 HB3 ASP 14 -3.839 11.036 -0.843 93 H GLY 15 H GLY 15 -1.555 13.456 1.147 94 HA2 GLY 15 HA2 GLY 15 -2.424 15.002 2.698 95 HA3 GLY 15 HA3 GLY 15 -4.018 14.752 2.003 96 H ALA 16 H ALA 16 -4.097 14.722 4.577 97 HA ALA 16 HA ALA 16 -3.440 12.570 6.103 98 HB1 ALA 16 HB1 ALA 16 -6.042 14.081 6.254 99 HB2 ALA 16 HB2 ALA 16 -4.507 14.612 6.943 100 HB3 ALA 16 HB3 ALA 16 -5.289 13.153 7.552 101 H LEU 17 H LEU 17 -6.263 12.791 3.942 102 HA LEU 17 HA LEU 17 -7.424 10.339 4.808 103 HB2 LEU 17 HB2 LEU 17 -8.391 12.395 3.411 104 HB3 LEU 17 HB3 LEU 17 -7.878 11.415 2.055 105 HG LEU 17 HG LEU 17 -10.284 11.180 2.598 106 HD11 LEU 17 HD11 LEU 17 -10.378 8.743 2.538 107 HD12 LEU 17 HD12 LEU 17 -8.668 8.669 2.971 108 HD13 LEU 17 HD13 LEU 17 -9.160 9.382 1.434 109 HD21 LEU 17 HD21 LEU 17 -10.990 10.005 4.588 110 HD22 LEU 17 HD22 LEU 17 -10.072 11.446 5.034 111 HD23 LEU 17 HD23 LEU 17 -9.319 9.856 5.126 112 H GLY 18 H GLY 18 -5.211 11.302 2.258 113 HA2 GLY 18 HA2 GLY 18 -5.103 8.894 0.807 114 HA3 GLY 18 HA3 GLY 18 -3.842 10.112 0.877 115 H ALA 19 H ALA 19 -3.227 10.030 3.618 116 HA ALA 19 HA ALA 19 -1.380 7.972 3.744 117 HB1 ALA 19 HB1 ALA 19 -1.116 8.583 6.091 118 HB2 ALA 19 HB2 ALA 19 -2.626 9.493 6.028 119 HB3 ALA 19 HB3 ALA 19 -1.241 10.018 5.073 120 H LYS 20 H LYS 20 -4.682 8.122 5.022 121 HA LYS 20 HA LYS 20 -4.503 5.627 6.385 122 HB2 LYS 20 HB2 LYS 20 -6.609 7.593 5.858 123 HB3 LYS 20 HB3 LYS 20 -7.187 5.935 5.887 124 HG2 LYS 20 HG2 LYS 20 -7.426 6.752 8.084 125 HG3 LYS 20 HG3 LYS 20 -6.024 5.685 8.109 126 HD2 LYS 20 HD2 LYS 20 -5.468 7.628 9.371 127 HD3 LYS 20 HD3 LYS 20 -4.589 7.725 7.844 128 HE2 LYS 20 HE2 LYS 20 -5.582 9.878 8.478 129 HE3 LYS 20 HE3 LYS 20 -6.241 9.267 6.963 130 HZ1 LYS 20 HZ1 LYS 20 -7.939 10.169 8.451 131 HZ2 LYS 20 HZ2 LYS 20 -7.547 9.004 9.612 132 HZ3 LYS 20 HZ3 LYS 20 -8.198 8.531 8.131 133 H VAL 21 H VAL 21 -5.683 6.606 3.205 134 HA VAL 21 HA VAL 21 -6.669 4.096 2.416 135 HB VAL 21 HB VAL 21 -5.415 6.209 0.632 136 HG11 VAL 21 HG11 VAL 21 -5.678 4.057 -0.471 137 HG12 VAL 21 HG12 VAL 21 -6.825 5.229 -1.121 138 HG13 VAL 21 HG13 VAL 21 -7.371 3.996 0.017 139 HG21 VAL 21 HG21 VAL 21 -7.192 7.172 1.981 140 HG22 VAL 21 HG22 VAL 21 -8.285 5.873 1.503 141 HG23 VAL 21 HG23 VAL 21 -7.705 7.025 0.301 142 H ALA 22 H ALA 22 -3.515 5.598 2.116 143 HA ALA 22 HA ALA 22 -2.159 3.623 0.713 144 HB1 ALA 22 HB1 ALA 22 -1.015 5.384 2.874 145 HB2 ALA 22 HB2 ALA 22 -1.283 5.888 1.210 146 HB3 ALA 22 HB3 ALA 22 -0.125 4.608 1.568 147 H GLN 23 H GLN 23 -2.290 4.069 4.239 148 HA GLN 23 HA GLN 23 -0.753 1.780 4.829 149 HB2 GLN 23 HB2 GLN 23 -1.277 2.121 7.104 150 HB3 GLN 23 HB3 GLN 23 -1.249 3.718 6.377 151 HG2 GLN 23 HG2 GLN 23 -3.718 3.639 6.230 152 HG3 GLN 23 HG3 GLN 23 -3.659 2.098 7.092 153 HE21 GLN 23 HE21 GLN 23 -3.197 2.066 9.250 154 HE22 GLN 23 HE22 GLN 23 -3.151 3.486 10.228 155 H ALA 24 H ALA 24 -4.233 2.244 4.472 156 HA ALA 24 HA ALA 24 -5.029 -0.289 5.407 157 HB1 ALA 24 HB1 ALA 24 -6.376 1.498 3.378 158 HB2 ALA 24 HB2 ALA 24 -6.591 1.577 5.128 159 HB3 ALA 24 HB3 ALA 24 -7.132 0.154 4.237 160 H ALA 25 H ALA 25 -4.323 0.917 2.158 161 HA ALA 25 HA ALA 25 -4.822 -1.502 0.790 162 HB1 ALA 25 HB1 ALA 25 -2.994 0.772 0.008 163 HB2 ALA 25 HB2 ALA 25 -4.718 0.666 -0.350 164 HB3 ALA 25 HB3 ALA 25 -3.596 -0.490 -1.067 165 H CYS 26 H CYS 26 -2.016 -0.225 2.454 166 HA CYS 26 HA CYS 26 -0.168 -2.102 1.394 167 HB2 CYS 26 HB2 CYS 26 0.472 0.112 2.325 168 HB3 CYS 26 HB3 CYS 26 0.025 -0.465 3.927 169 H ILE 27 H ILE 27 -1.804 -1.809 4.547 170 HA ILE 27 HA ILE 27 -0.756 -4.084 5.748 171 HB ILE 27 HB ILE 27 -3.473 -2.819 6.113 172 HG12 ILE 27 HG12 ILE 27 -1.000 -2.573 7.830 173 HG13 ILE 27 HG13 ILE 27 -1.423 -1.426 6.577 174 HG21 ILE 27 HG21 ILE 27 -3.580 -5.081 6.947 175 HG22 ILE 27 HG22 ILE 27 -3.502 -3.971 8.316 176 HG23 ILE 27 HG23 ILE 27 -2.064 -4.867 7.823 177 HD11 ILE 27 HD11 ILE 27 -3.481 -0.902 7.760 178 HD12 ILE 27 HD12 ILE 27 -2.064 -0.638 8.773 179 HD13 ILE 27 HD13 ILE 27 -3.062 -2.072 9.010 180 H SER 28 H SER 28 -3.780 -3.761 3.883 181 HA SER 28 HA SER 28 -4.581 -6.427 4.072 182 HB2 SER 28 HB2 SER 28 -5.830 -5.885 1.897 183 HB3 SER 28 HB3 SER 28 -6.194 -4.884 3.303 184 HG SER 28 HG SER 28 -5.180 -3.216 2.413 185 H SER 29 H SER 29 -2.603 -4.798 1.618 186 HA SER 29 HA SER 29 -2.262 -6.975 -0.107 187 HB2 SER 29 HB2 SER 29 -1.707 -4.675 -0.758 188 HB3 SER 29 HB3 SER 29 -0.397 -4.646 0.421 189 HG SER 29 HG SER 29 0.627 -5.199 -1.383 190 H CYS 30 H CYS 30 -0.473 -5.955 2.761 191 HA CYS 30 HA CYS 30 1.637 -7.792 2.463 192 HB2 CYS 30 HB2 CYS 30 0.541 -6.308 4.836 193 HB3 CYS 30 HB3 CYS 30 1.988 -7.315 4.917 194 H LYS 31 H LYS 31 -1.344 -7.879 4.353 195 HA LYS 31 HA LYS 31 -0.975 -10.386 5.495 196 HB2 LYS 31 HB2 LYS 31 -3.558 -9.048 4.686 197 HB3 LYS 31 HB3 LYS 31 -3.405 -10.372 5.835 198 HG2 LYS 31 HG2 LYS 31 -2.394 -9.030 7.448 199 HG3 LYS 31 HG3 LYS 31 -1.902 -7.827 6.261 200 HD2 LYS 31 HD2 LYS 31 -3.683 -6.916 7.547 201 HD3 LYS 31 HD3 LYS 31 -4.286 -7.255 5.926 202 HE2 LYS 31 HE2 LYS 31 -5.921 -7.917 7.557 203 HE3 LYS 31 HE3 LYS 31 -5.264 -9.362 6.784 204 HZ1 LYS 31 HZ1 LYS 31 -4.465 -8.295 9.441 205 HZ2 LYS 31 HZ2 LYS 31 -3.838 -9.683 8.720 206 HZ3 LYS 31 HZ3 LYS 31 -5.459 -9.637 9.186 207 H PHE 32 H PHE 32 -2.421 -9.496 2.358 208 HA PHE 32 HA PHE 32 -3.255 -12.024 1.594 209 HB2 PHE 32 HB2 PHE 32 -2.389 -9.618 0.023 210 HB3 PHE 32 HB3 PHE 32 -2.958 -11.078 -0.759 211 HD1 PHE 32 HD2 PHE 32 -5.153 -11.849 1.114 212 HD2 PHE 32 HD1 PHE 32 -4.039 -8.056 -0.464 213 HE1 PHE 32 HE2 PHE 32 -7.455 -11.055 1.403 214 HE2 PHE 32 HE1 PHE 32 -6.346 -7.257 -0.174 215 HZ PHE 32 HZ PHE 32 -8.057 -8.757 0.759 216 H GLN 33 H GLN 33 -0.066 -10.569 1.445 217 HA GLN 33 HA GLN 33 0.944 -12.865 -0.059 218 HB2 GLN 33 HB2 GLN 33 3.083 -11.592 -0.133 219 HB3 GLN 33 HB3 GLN 33 1.725 -10.751 -0.864 220 HG2 GLN 33 HG2 GLN 33 1.468 -9.480 1.241 221 HG3 GLN 33 HG3 GLN 33 2.954 -10.231 1.825 222 HE21 GLN 33 HE21 GLN 33 1.556 -7.974 -0.375 223 HE22 GLN 33 HE22 GLN 33 3.035 -7.212 -0.858 224 H ASN 34 H ASN 34 0.124 -12.667 2.887 225 HA ASN 34 HA ASN 34 0.555 -13.937 4.714 226 HB2 ASN 34 HB2 ASN 34 1.405 -15.646 3.031 227 HB3 ASN 34 HB3 ASN 34 3.024 -15.035 3.357 228 HD21 ASN 34 HD21 ASN 34 3.744 -16.966 4.214 229 HD22 ASN 34 HD22 ASN 34 3.222 -17.562 5.749 230 H CYS 35 H CYS 35 1.268 -11.348 4.785 231 HA CYS 35 HA CYS 35 3.693 -11.444 6.399 232 HB2 CYS 35 HB2 CYS 35 2.617 -9.239 4.658 233 HB3 CYS 35 HB3 CYS 35 3.844 -8.950 5.883 234 H GLY 36 H GLY 36 3.580 -10.733 8.398 235 HA2 GLY 36 HA2 GLY 36 1.130 -10.690 9.745 236 HA3 GLY 36 HA3 GLY 36 2.655 -10.159 10.426 237 H THR 37 H THR 37 3.073 -7.995 8.633 238 HA THR 37 HA THR 37 0.765 -6.258 8.994 239 HB THR 37 HB THR 37 1.885 -6.112 11.173 240 HG1 THR 37 HG1 THR 37 1.208 -4.136 11.027 241 HG21 THR 37 HG21 THR 37 4.147 -5.143 11.347 242 HG22 THR 37 HG22 THR 37 4.284 -5.192 9.590 243 HG23 THR 37 HG23 THR 37 4.151 -6.694 10.505 244 H GLY 38 H GLY 38 1.130 -4.120 8.139 245 HA2 GLY 38 HA2 GLY 38 3.284 -3.893 6.187 246 HA3 GLY 38 HA3 GLY 38 1.632 -3.838 5.571 247 H HIS 39 H HIS 39 3.820 -1.789 5.655 248 HA HIS 39 HA HIS 39 2.072 0.344 6.458 249 HB2 HIS 39 HB2 HIS 39 3.492 1.456 7.993 250 HB3 HIS 39 HB3 HIS 39 3.446 -0.214 8.534 251 HD1 HIS 39 HD1 HIS 39 5.655 -1.505 8.522 252 HD2 HIS 39 HD2 HIS 39 5.964 2.330 6.961 253 HE1 HIS 39 HE1 HIS 39 8.131 -1.040 8.326 254 HE2 HIS 39 HE2 HIS 39 8.288 1.340 7.525 255 H CYS 40 H CYS 40 2.710 2.355 5.597 256 HA CYS 40 HA CYS 40 4.086 1.958 3.089 257 HB2 CYS 40 HB2 CYS 40 2.655 4.381 4.163 258 HB3 CYS 40 HB3 CYS 40 3.278 4.168 2.528 259 H GLU 41 H GLU 41 6.072 2.519 2.683 260 HA GLU 41 HA GLU 41 7.328 4.549 4.355 261 HB2 GLU 41 HB2 GLU 41 7.792 2.143 5.165 262 HB3 GLU 41 HB3 GLU 41 8.760 1.980 3.711 263 HG2 GLU 41 HG2 GLU 41 10.313 3.571 4.435 264 HG3 GLU 41 HG3 GLU 41 9.222 4.185 5.678 265 H ARG 42 H ARG 42 8.940 5.684 3.295 266 HA ARG 42 HA ARG 42 8.760 5.519 0.419 267 HB2 ARG 42 HB2 ARG 42 9.737 7.512 2.371 268 HB3 ARG 42 HB3 ARG 42 10.514 7.493 0.799 269 HG2 ARG 42 HG2 ARG 42 8.274 7.713 -0.247 270 HG3 ARG 42 HG3 ARG 42 7.599 7.908 1.374 271 HD2 ARG 42 HD2 ARG 42 8.073 10.055 0.185 272 HD3 ARG 42 HD3 ARG 42 8.868 9.887 1.747 273 HE ARG 42 HE ARG 42 10.725 8.972 -0.024 274 HH11 ARG 42 HH11 ARG 42 8.849 11.927 0.128 275 HH12 ARG 42 HH12 ARG 42 10.124 12.932 -0.451 276 HH21 ARG 42 HH21 ARG 42 12.448 10.315 -0.795 277 HH22 ARG 42 HH22 ARG 42 12.177 12.014 -0.985 278 H ARG 43 H ARG 43 10.040 4.338 -0.718 279 HA ARG 43 HA ARG 43 12.729 3.752 0.304 280 HB2 ARG 43 HB2 ARG 43 11.062 2.226 -1.713 281 HB3 ARG 43 HB3 ARG 43 12.663 1.771 -1.159 282 HG2 ARG 43 HG2 ARG 43 10.245 1.958 0.636 283 HG3 ARG 43 HG3 ARG 43 10.799 0.473 -0.131 284 HD2 ARG 43 HD2 ARG 43 11.668 0.434 2.072 285 HD3 ARG 43 HD3 ARG 43 13.019 0.853 1.024 286 HE ARG 43 HE ARG 43 11.671 3.144 2.117 287 HH11 ARG 43 HH11 ARG 43 14.136 0.732 2.748 288 HH12 ARG 43 HH12 ARG 43 14.992 1.716 3.877 289 HH21 ARG 43 HH21 ARG 43 12.812 4.457 3.620 290 HH22 ARG 43 HH22 ARG 43 14.241 3.837 4.375 291 H GLY 44 H GLY 44 14.081 5.145 -0.566 292 HA2 GLY 44 HA2 GLY 44 15.164 6.504 -2.086 293 HA3 GLY 44 HA3 GLY 44 14.765 5.252 -3.251 294 H GLY 45 H GLY 45 12.849 7.691 -1.475 295 HA2 GLY 45 HA2 GLY 45 11.592 9.456 -2.290 296 HA3 GLY 45 HA3 GLY 45 12.200 9.107 -3.898 297 H ARG 46 H ARG 46 11.250 6.279 -3.334 298 HA ARG 46 HA ARG 46 8.646 6.707 -4.560 299 HB2 ARG 46 HB2 ARG 46 10.301 4.241 -4.175 300 HB3 ARG 46 HB3 ARG 46 8.746 4.268 -5.000 301 HG2 ARG 46 HG2 ARG 46 11.171 5.836 -5.829 302 HG3 ARG 46 HG3 ARG 46 10.678 4.294 -6.546 303 HD2 ARG 46 HD2 ARG 46 8.449 5.454 -7.029 304 HD3 ARG 46 HD3 ARG 46 9.280 6.956 -6.647 305 HE ARG 46 HE ARG 46 10.777 5.530 -8.547 306 HH11 ARG 46 HH11 ARG 46 7.794 7.342 -8.270 307 HH12 ARG 46 HH12 ARG 46 7.733 7.768 -9.944 308 HH21 ARG 46 HH21 ARG 46 10.701 6.084 -10.780 309 HH22 ARG 46 HH22 ARG 46 9.381 7.030 -11.380 310 HA PRO 47 HA PRO 47 6.704 5.809 -0.586 311 HB2 PRO 47 HB2 PRO 47 4.163 6.186 -1.493 312 HB3 PRO 47 HB3 PRO 47 5.225 7.512 -1.007 313 HG2 PRO 47 HG2 PRO 47 4.597 6.497 -3.751 314 HG3 PRO 47 HG3 PRO 47 4.740 8.171 -3.181 315 HD2 PRO 47 HD2 PRO 47 6.713 6.927 -4.527 316 HD3 PRO 47 HD3 PRO 47 7.038 8.137 -3.270 317 H THR 48 H THR 48 7.085 3.620 -0.438 318 HA THR 48 HA THR 48 5.484 1.865 -2.169 319 HB THR 48 HB THR 48 8.068 1.066 -0.829 320 HG1 THR 48 HG1 THR 48 8.230 2.971 -2.321 321 HG21 THR 48 HG21 THR 48 6.634 0.057 -3.298 322 HG22 THR 48 HG22 THR 48 6.634 -0.731 -1.720 323 HG23 THR 48 HG23 THR 48 8.134 -0.594 -2.637 324 H CYS 49 H CYS 49 4.747 -0.119 -1.229 325 HA CYS 49 HA CYS 49 4.057 0.126 1.581 326 HB2 CYS 49 HB2 CYS 49 2.240 -0.518 0.155 327 HB3 CYS 49 HB3 CYS 49 3.212 -1.764 -0.619 328 H VAL 50 H VAL 50 5.487 -0.705 3.035 329 HA VAL 50 HA VAL 50 6.999 -3.028 2.150 330 HB VAL 50 HB VAL 50 8.736 -2.458 3.772 331 HG11 VAL 50 HG11 VAL 50 9.602 -0.438 2.702 332 HG12 VAL 50 HG12 VAL 50 8.010 -0.114 2.016 333 HG13 VAL 50 HG13 VAL 50 8.910 -1.546 1.515 334 HG21 VAL 50 HG21 VAL 50 8.690 -0.337 4.985 335 HG22 VAL 50 HG22 VAL 50 7.348 -1.384 5.454 336 HG23 VAL 50 HG23 VAL 50 7.066 -0.022 4.371 337 H CYS 51 H CYS 51 6.653 -4.859 3.097 338 HA CYS 51 HA CYS 51 4.836 -4.923 5.365 339 HB2 CYS 51 HB2 CYS 51 5.826 -7.261 3.743 340 HB3 CYS 51 HB3 CYS 51 4.457 -7.210 4.836 341 H SER 52 H SER 52 5.206 -6.149 7.190 342 HA SER 52 HA SER 52 7.951 -7.049 7.639 343 HB2 SER 52 HB2 SER 52 7.682 -4.816 8.685 344 HB3 SER 52 HB3 SER 52 6.292 -5.416 9.587 345 HG SER 52 HG SER 52 8.909 -5.616 10.160 346 H ARG 53 H ARG 53 8.083 -8.558 9.462 347 HA ARG 53 HA ARG 53 7.494 -10.479 10.503 348 HB2 ARG 53 HB2 ARG 53 4.689 -9.343 10.552 349 HB3 ARG 53 HB3 ARG 53 5.321 -10.617 11.581 350 HG2 ARG 53 HG2 ARG 53 6.041 -7.690 11.623 351 HG3 ARG 53 HG3 ARG 53 5.195 -8.615 12.865 352 HD2 ARG 53 HD2 ARG 53 7.262 -8.647 13.801 353 HD3 ARG 53 HD3 ARG 53 7.458 -10.037 12.738 354 HE ARG 53 HE ARG 53 8.230 -7.440 11.661 355 HH11 ARG 53 HH11 ARG 53 9.231 -10.515 13.014 356 HH12 ARG 53 HH12 ARG 53 10.910 -10.277 12.667 357 HH21 ARG 53 HH21 ARG 53 10.462 -7.141 11.153 358 HH22 ARG 53 HH22 ARG 53 11.596 -8.379 11.563 359 H CYS 54 H CYS 54 7.732 -10.680 7.895 360 HA CYS 54 HA CYS 54 5.386 -11.988 6.758 361 HB2 CYS 54 HB2 CYS 54 8.111 -11.479 5.543 362 HB3 CYS 54 HB3 CYS 54 6.745 -12.186 4.690 363 H GLY 55 H GLY 55 5.244 -14.199 6.245 364 HA2 GLY 55 HA2 GLY 55 5.829 -16.395 6.396 365 HA3 GLY 55 HA3 GLY 55 7.430 -15.919 6.951 366 H ASN 56 H ASN 56 4.211 -15.234 8.242 367 HA ASN 56 HA ASN 56 3.312 -15.408 10.333 368 HB2 ASN 56 HB2 ASN 56 4.728 -18.048 10.054 369 HB3 ASN 56 HB3 ASN 56 3.684 -17.676 11.420 370 HD21 ASN 56 HD21 ASN 56 3.462 -19.665 9.262 371 HD22 ASN 56 HD22 ASN 56 1.915 -19.389 8.542 372 H GLY 57 H GLY 57 5.924 -14.049 10.292 373 HA2 GLY 57 HA2 GLY 57 6.284 -13.515 12.945 374 HA3 GLY 57 HA3 GLY 57 7.320 -14.904 12.666 375 H GLY 58 H GLY 58 8.368 -14.412 10.207 376 HA2 GLY 58 HA2 GLY 58 9.600 -12.841 8.943 377 HA3 GLY 58 HA3 GLY 58 9.450 -11.694 10.261 378 H GLY 59 H GLY 59 10.339 -14.564 11.669 379 HA2 GLY 59 HA2 GLY 59 12.447 -15.577 11.943 380 HA3 GLY 59 HA3 GLY 59 13.185 -14.207 11.123 381 H GLU 60 H GLU 60 14.204 -12.776 12.363 382 HA GLU 60 HA GLU 60 13.890 -12.922 15.228 383 HB2 GLU 60 HB2 GLU 60 15.773 -11.460 13.407 384 HB3 GLU 60 HB3 GLU 60 15.634 -10.992 15.093 385 HG2 GLU 60 HG2 GLU 60 17.502 -12.473 14.810 386 HG3 GLU 60 HG3 GLU 60 16.255 -13.273 15.760 387 H TRP 61 H TRP 61 13.829 -10.791 16.425 388 HA TRP 61 HA TRP 61 12.587 -9.051 17.157 389 HB2 TRP 61 HB2 TRP 61 12.820 -8.388 14.230 390 HB3 TRP 61 HB3 TRP 61 11.894 -7.368 15.321 391 HD1 TRP 61 HD1 TRP 61 13.234 -5.897 17.059 392 HE1 TRP 61 HE1 TRP 61 15.703 -5.223 17.254 393 HE3 TRP 61 HE3 TRP 61 15.235 -9.258 13.785 394 HZ2 TRP 61 HZ2 TRP 61 18.180 -6.012 16.157 395 HZ3 TRP 61 HZ3 TRP 61 17.664 -9.233 13.411 396 HH2 TRP 61 HH2 TRP 61 19.104 -7.644 14.570 397 HA PRO 62 HA PRO 62 8.641 -11.203 15.587 398 HB2 PRO 62 HB2 PRO 62 8.490 -12.519 18.196 399 HB3 PRO 62 HB3 PRO 62 8.462 -13.241 16.585 400 HG2 PRO 62 HG2 PRO 62 10.557 -13.539 18.260 401 HG3 PRO 62 HG3 PRO 62 10.753 -13.463 16.500 402 HD2 PRO 62 HD2 PRO 62 11.183 -11.312 18.546 403 HD3 PRO 62 HD3 PRO 62 12.179 -11.746 17.139 404 H ASN 63 H ASN 63 9.630 -9.498 18.464 405 HA ASN 63 HA ASN 63 6.918 -8.442 18.736 406 HB2 ASN 63 HB2 ASN 63 8.830 -9.242 20.941 407 HB3 ASN 63 HB3 ASN 63 7.392 -8.261 21.200 408 HD21 ASN 63 HD21 ASN 63 5.372 -9.192 20.900 409 HD22 ASN 63 HD22 ASN 63 5.145 -10.904 20.970 410 H LEU 64 H LEU 64 9.655 -7.792 17.548 411 HA LEU 64 HA LEU 64 11.031 -6.033 17.225 412 HB2 LEU 64 HB2 LEU 64 8.683 -4.384 18.124 413 HB3 LEU 64 HB3 LEU 64 9.959 -3.907 17.023 414 HG LEU 64 HG LEU 64 7.870 -6.018 16.463 415 HD11 LEU 64 HD11 LEU 64 6.897 -3.793 16.550 416 HD12 LEU 64 HD12 LEU 64 6.955 -4.375 14.888 417 HD13 LEU 64 HD13 LEU 64 8.132 -3.187 15.447 418 HD21 LEU 64 HD21 LEU 64 9.956 -6.459 15.287 419 HD22 LEU 64 HD22 LEU 64 9.995 -4.800 14.690 420 HD23 LEU 64 HD23 LEU 64 8.724 -5.900 14.157 421 HA PRO 65 HA PRO 65 12.084 -5.465 21.809 422 HB2 PRO 65 HB2 PRO 65 14.702 -6.254 20.621 423 HB3 PRO 65 HB3 PRO 65 13.978 -6.747 22.157 424 HG2 PRO 65 HG2 PRO 65 14.047 -8.432 20.105 425 HG3 PRO 65 HG3 PRO 65 12.619 -8.344 21.155 426 HD2 PRO 65 HD2 PRO 65 13.034 -7.221 18.418 427 HD3 PRO 65 HD3 PRO 65 11.589 -7.979 19.116 428 H SER 66 H SER 66 12.782 -3.427 22.433 429 HA SER 66 HA SER 66 13.565 -1.653 20.291 430 HB2 SER 66 HB2 SER 66 11.760 -1.080 21.934 431 HB3 SER 66 HB3 SER 66 12.999 -0.993 23.186 432 HG SER 66 HG SER 66 13.962 0.503 21.364 433 H ARG 67 H ARG 67 15.436 -3.686 21.676 434 HA ARG 67 HA ARG 67 17.703 -1.923 21.669 435 HB2 ARG 67 HB2 ARG 67 18.317 -1.945 23.872 436 HB3 ARG 67 HB3 ARG 67 16.595 -2.151 24.121 437 HG2 ARG 67 HG2 ARG 67 18.649 -4.369 24.093 438 HG3 ARG 67 HG3 ARG 67 17.930 -3.649 25.529 439 HD2 ARG 67 HD2 ARG 67 16.154 -4.993 25.383 440 HD3 ARG 67 HD3 ARG 67 15.889 -4.550 23.695 441 HE ARG 67 HE ARG 67 18.023 -6.270 23.639 442 HH11 ARG 67 HH11 ARG 67 14.728 -6.496 24.831 443 HH12 ARG 67 HH12 ARG 67 14.602 -8.193 24.518 444 HH21 ARG 67 HH21 ARG 67 17.865 -8.480 23.236 445 HH22 ARG 67 HH22 ARG 67 16.405 -9.333 23.613 446 H GLY 68 H GLY 68 19.767 -3.259 22.043 447 HA2 GLY 68 HA2 GLY 68 19.428 -5.771 20.587 448 HA3 GLY 68 HA3 GLY 68 20.941 -4.902 20.826 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -1.483 2.994 -20.662 2 H2 GLY 1 H2 GLY 1 -0.686 2.810 -19.184 3 H3 GLY 1 H3 GLY 1 0.197 3.114 -20.591 4 HA2 GLY 1 HA2 GLY 1 0.016 5.103 -19.220 5 HA3 GLY 1 HA3 GLY 1 -0.728 5.297 -20.800 6 H SER 2 H SER 2 -2.016 3.571 -17.988 7 HA SER 2 HA SER 2 -4.063 5.649 -17.701 8 HB2 SER 2 HB2 SER 2 -4.628 2.676 -17.813 9 HB3 SER 2 HB3 SER 2 -5.819 3.953 -17.566 10 HG SER 2 HG SER 2 -5.172 4.759 -19.662 11 H ALA 3 H ALA 3 -1.645 4.798 -16.242 12 HA ALA 3 HA ALA 3 -2.562 3.508 -13.855 13 HB1 ALA 3 HB1 ALA 3 0.056 4.857 -14.470 14 HB2 ALA 3 HB2 ALA 3 -0.305 3.144 -14.685 15 HB3 ALA 3 HB3 ALA 3 -0.279 3.845 -13.064 16 H LEU 4 H LEU 4 -3.863 4.607 -12.558 17 HA LEU 4 HA LEU 4 -3.734 7.420 -12.127 18 HB2 LEU 4 HB2 LEU 4 -5.409 7.100 -10.455 19 HB3 LEU 4 HB3 LEU 4 -5.771 5.984 -11.754 20 HG LEU 4 HG LEU 4 -4.295 5.121 -9.266 21 HD11 LEU 4 HD11 LEU 4 -6.442 4.290 -8.417 22 HD12 LEU 4 HD12 LEU 4 -7.272 5.047 -9.775 23 HD13 LEU 4 HD13 LEU 4 -6.445 6.045 -8.581 24 HD21 LEU 4 HD21 LEU 4 -5.825 3.622 -11.398 25 HD22 LEU 4 HD22 LEU 4 -5.205 2.897 -9.916 26 HD23 LEU 4 HD23 LEU 4 -4.086 3.572 -11.098 27 H ASP 5 H ASP 5 -2.278 4.668 -10.790 28 HA ASP 5 HA ASP 5 -0.432 6.280 -9.266 29 HB2 ASP 5 HB2 ASP 5 -2.413 5.571 -7.736 30 HB3 ASP 5 HB3 ASP 5 -1.702 3.963 -7.825 31 H PHE 6 H PHE 6 1.525 5.151 -8.878 32 HA PHE 6 HA PHE 6 1.811 2.848 -10.651 33 HB2 PHE 6 HB2 PHE 6 4.192 3.343 -10.718 34 HB3 PHE 6 HB3 PHE 6 3.281 4.796 -11.099 35 HD1 PHE 6 HD2 PHE 6 2.830 6.382 -9.019 36 HD2 PHE 6 HD1 PHE 6 5.930 3.475 -9.236 37 HE1 PHE 6 HE2 PHE 6 4.081 7.591 -7.281 38 HE2 PHE 6 HE1 PHE 6 7.185 4.680 -7.499 39 HZ PHE 6 HZ PHE 6 6.264 6.740 -6.521 40 H THR 7 H THR 7 1.920 3.825 -7.362 41 HA THR 7 HA THR 7 2.770 1.122 -6.575 42 HB THR 7 HB THR 7 3.489 2.292 -4.406 43 HG1 THR 7 HG1 THR 7 2.582 4.394 -5.808 44 HG21 THR 7 HG21 THR 7 5.023 2.867 -6.946 45 HG22 THR 7 HG22 THR 7 5.102 1.374 -6.010 46 HG23 THR 7 HG23 THR 7 5.693 2.883 -5.316 47 H SER 8 H SER 8 1.895 0.582 -4.323 48 HA SER 8 HA SER 8 -0.892 1.240 -4.218 49 HB2 SER 8 HB2 SER 8 0.780 -0.380 -2.286 50 HB3 SER 8 HB3 SER 8 -0.982 -0.342 -2.363 51 HG SER 8 HG SER 8 -0.957 -1.483 -4.189 52 H CYS 9 H CYS 9 2.013 2.287 -2.582 53 HA CYS 9 HA CYS 9 0.420 3.622 -0.527 54 HB2 CYS 9 HB2 CYS 9 3.232 2.674 -0.611 55 HB3 CYS 9 HB3 CYS 9 2.775 3.966 0.492 56 H ALA 10 H ALA 10 1.201 4.677 -3.390 57 HA ALA 10 HA ALA 10 2.744 6.995 -2.795 58 HB1 ALA 10 HB1 ALA 10 2.542 6.093 -5.060 59 HB2 ALA 10 HB2 ALA 10 2.105 7.803 -4.984 60 HB3 ALA 10 HB3 ALA 10 0.846 6.569 -5.089 61 H ARG 11 H ARG 11 -0.466 6.144 -2.232 62 HA ARG 11 HA ARG 11 -1.733 8.657 -2.263 63 HB2 ARG 11 HB2 ARG 11 -2.788 6.992 -0.144 64 HB3 ARG 11 HB3 ARG 11 -3.554 7.505 -1.634 65 HG2 ARG 11 HG2 ARG 11 -1.679 5.161 -1.458 66 HG3 ARG 11 HG3 ARG 11 -3.422 5.040 -1.248 67 HD2 ARG 11 HD2 ARG 11 -2.084 6.165 -3.700 68 HD3 ARG 11 HD3 ARG 11 -2.637 4.497 -3.545 69 HE ARG 11 HE ARG 11 -4.882 5.748 -3.009 70 HH11 ARG 11 HH11 ARG 11 -2.532 6.492 -5.527 71 HH12 ARG 11 HH12 ARG 11 -3.729 7.188 -6.575 72 HH21 ARG 11 HH21 ARG 11 -6.436 6.652 -4.415 73 HH22 ARG 11 HH22 ARG 11 -5.936 7.274 -5.951 74 H MET 12 H MET 12 0.688 7.411 -0.183 75 HA MET 12 HA MET 12 0.071 8.531 2.264 76 HB2 MET 12 HB2 MET 12 2.395 8.362 2.830 77 HB3 MET 12 HB3 MET 12 2.006 7.003 1.786 78 HG2 MET 12 HG2 MET 12 3.156 7.927 -0.037 79 HG3 MET 12 HG3 MET 12 3.204 9.528 0.692 80 HE1 MET 12 HE1 MET 12 4.075 6.046 2.420 81 HE2 MET 12 HE2 MET 12 5.802 5.954 2.064 82 HE3 MET 12 HE3 MET 12 4.627 5.892 0.752 83 H ASN 13 H ASN 13 0.774 10.189 -0.670 84 HA ASN 13 HA ASN 13 1.306 12.641 0.860 85 HB2 ASN 13 HB2 ASN 13 2.393 13.567 -1.180 86 HB3 ASN 13 HB3 ASN 13 3.239 12.171 -0.532 87 HD21 ASN 13 HD21 ASN 13 3.578 10.462 -1.813 88 HD22 ASN 13 HD22 ASN 13 2.970 10.307 -3.423 89 H ASP 14 H ASP 14 -1.250 11.410 0.254 90 HA ASP 14 HA ASP 14 -2.435 13.438 -1.532 91 HB2 ASP 14 HB2 ASP 14 -2.705 11.000 -2.218 92 HB3 ASP 14 HB3 ASP 14 -3.617 10.749 -0.745 93 H GLY 15 H GLY 15 -1.706 13.413 1.420 94 HA2 GLY 15 HA2 GLY 15 -2.755 14.797 3.046 95 HA3 GLY 15 HA3 GLY 15 -4.317 14.328 2.390 96 H ALA 16 H ALA 16 -4.214 14.184 5.013 97 HA ALA 16 HA ALA 16 -3.205 11.868 6.187 98 HB1 ALA 16 HB1 ALA 16 -4.030 13.741 7.494 99 HB2 ALA 16 HB2 ALA 16 -4.867 12.262 7.956 100 HB3 ALA 16 HB3 ALA 16 -5.668 13.441 6.922 101 H LEU 17 H LEU 17 -6.114 12.392 4.326 102 HA LEU 17 HA LEU 17 -7.338 9.883 4.908 103 HB2 LEU 17 HB2 LEU 17 -8.230 12.107 3.692 104 HB3 LEU 17 HB3 LEU 17 -7.769 11.196 2.270 105 HG LEU 17 HG LEU 17 -10.165 10.975 2.786 106 HD11 LEU 17 HD11 LEU 17 -10.326 8.548 2.673 107 HD12 LEU 17 HD12 LEU 17 -8.635 8.410 3.157 108 HD13 LEU 17 HD13 LEU 17 -9.054 9.158 1.615 109 HD21 LEU 17 HD21 LEU 17 -9.251 9.607 5.315 110 HD22 LEU 17 HD22 LEU 17 -10.915 9.770 4.753 111 HD23 LEU 17 HD23 LEU 17 -9.998 11.202 5.221 112 H GLY 18 H GLY 18 -5.244 11.108 2.345 113 HA2 GLY 18 HA2 GLY 18 -4.977 8.802 0.801 114 HA3 GLY 18 HA3 GLY 18 -3.757 10.050 0.984 115 H ALA 19 H ALA 19 -3.249 9.825 3.709 116 HA ALA 19 HA ALA 19 -1.337 7.786 3.808 117 HB1 ALA 19 HB1 ALA 19 -1.153 8.303 6.191 118 HB2 ALA 19 HB2 ALA 19 -2.660 9.217 6.111 119 HB3 ALA 19 HB3 ALA 19 -1.241 9.781 5.230 120 H LYS 20 H LYS 20 -4.603 7.978 4.948 121 HA LYS 20 HA LYS 20 -4.715 5.476 6.222 122 HB2 LYS 20 HB2 LYS 20 -6.395 7.574 6.052 123 HB3 LYS 20 HB3 LYS 20 -7.165 6.483 4.911 124 HG2 LYS 20 HG2 LYS 20 -8.171 6.155 7.030 125 HG3 LYS 20 HG3 LYS 20 -7.166 4.744 6.685 126 HD2 LYS 20 HD2 LYS 20 -6.851 5.461 8.996 127 HD3 LYS 20 HD3 LYS 20 -5.374 5.702 8.055 128 HE2 LYS 20 HE2 LYS 20 -5.678 8.000 7.923 129 HE3 LYS 20 HE3 LYS 20 -7.369 7.904 8.420 130 HZ1 LYS 20 HZ1 LYS 20 -6.034 8.720 10.221 131 HZ2 LYS 20 HZ2 LYS 20 -4.991 7.398 10.134 132 HZ3 LYS 20 HZ3 LYS 20 -6.592 7.179 10.627 133 H VAL 21 H VAL 21 -5.669 6.485 2.942 134 HA VAL 21 HA VAL 21 -6.533 3.984 2.041 135 HB VAL 21 HB VAL 21 -5.153 6.089 0.348 136 HG11 VAL 21 HG11 VAL 21 -6.504 5.166 -1.464 137 HG12 VAL 21 HG12 VAL 21 -7.162 3.957 -0.361 138 HG13 VAL 21 HG13 VAL 21 -5.446 3.941 -0.763 139 HG21 VAL 21 HG21 VAL 21 -8.073 5.848 1.075 140 HG22 VAL 21 HG22 VAL 21 -7.382 7.006 -0.063 141 HG23 VAL 21 HG23 VAL 21 -6.965 7.094 1.648 142 H ALA 22 H ALA 22 -3.369 5.532 1.796 143 HA ALA 22 HA ALA 22 -1.991 3.530 0.480 144 HB1 ALA 22 HB1 ALA 22 0.034 4.512 1.437 145 HB2 ALA 22 HB2 ALA 22 -0.948 5.405 2.600 146 HB3 ALA 22 HB3 ALA 22 -1.083 5.756 0.877 147 H GLN 23 H GLN 23 -2.249 4.013 4.007 148 HA GLN 23 HA GLN 23 -0.763 1.703 4.648 149 HB2 GLN 23 HB2 GLN 23 -1.368 2.047 6.912 150 HB3 GLN 23 HB3 GLN 23 -1.220 3.631 6.177 151 HG2 GLN 23 HG2 GLN 23 -3.639 3.774 5.977 152 HG3 GLN 23 HG3 GLN 23 -3.772 2.185 6.735 153 HE21 GLN 23 HE21 GLN 23 -3.479 1.978 8.896 154 HE22 GLN 23 HE22 GLN 23 -3.342 3.312 9.982 155 H ALA 24 H ALA 24 -4.233 2.230 4.230 156 HA ALA 24 HA ALA 24 -5.083 -0.280 5.170 157 HB1 ALA 24 HB1 ALA 24 -7.157 0.164 3.952 158 HB2 ALA 24 HB2 ALA 24 -6.369 1.478 3.076 159 HB3 ALA 24 HB3 ALA 24 -6.616 1.603 4.818 160 H ALA 25 H ALA 25 -4.387 0.862 1.886 161 HA ALA 25 HA ALA 25 -4.823 -1.576 0.575 162 HB1 ALA 25 HB1 ALA 25 -4.669 0.562 -0.603 163 HB2 ALA 25 HB2 ALA 25 -3.526 -0.610 -1.260 164 HB3 ALA 25 HB3 ALA 25 -2.957 0.670 -0.190 165 H CYS 26 H CYS 26 -2.015 -0.278 2.249 166 HA CYS 26 HA CYS 26 -0.199 -2.240 1.287 167 HB2 CYS 26 HB2 CYS 26 0.426 0.033 2.180 168 HB3 CYS 26 HB3 CYS 26 0.061 -0.575 3.792 169 H ILE 27 H ILE 27 -1.797 -1.776 4.453 170 HA ILE 27 HA ILE 27 -0.821 -4.036 5.733 171 HB ILE 27 HB ILE 27 -3.528 -2.727 6.072 172 HG12 ILE 27 HG12 ILE 27 -1.000 -2.331 7.690 173 HG13 ILE 27 HG13 ILE 27 -1.532 -1.251 6.413 174 HG21 ILE 27 HG21 ILE 27 -2.061 -4.635 7.892 175 HG22 ILE 27 HG22 ILE 27 -3.583 -4.932 7.049 176 HG23 ILE 27 HG23 ILE 27 -3.508 -3.730 8.337 177 HD11 ILE 27 HD11 ILE 27 -3.550 -0.749 7.672 178 HD12 ILE 27 HD12 ILE 27 -2.100 -0.395 8.613 179 HD13 ILE 27 HD13 ILE 27 -3.036 -1.854 8.948 180 H SER 28 H SER 28 -3.808 -3.670 3.850 181 HA SER 28 HA SER 28 -4.744 -6.284 4.189 182 HB2 SER 28 HB2 SER 28 -6.057 -5.842 2.072 183 HB3 SER 28 HB3 SER 28 -6.259 -4.639 3.346 184 HG SER 28 HG SER 28 -5.093 -3.206 2.218 185 H SER 29 H SER 29 -2.792 -4.910 1.542 186 HA SER 29 HA SER 29 -2.578 -7.268 0.047 187 HB2 SER 29 HB2 SER 29 -0.638 -4.951 0.193 188 HB3 SER 29 HB3 SER 29 -0.689 -6.174 -1.078 189 HG SER 29 HG SER 29 -2.402 -4.036 -0.572 190 H CYS 30 H CYS 30 -0.686 -6.060 2.783 191 HA CYS 30 HA CYS 30 1.396 -7.937 2.548 192 HB2 CYS 30 HB2 CYS 30 0.362 -6.268 4.822 193 HB3 CYS 30 HB3 CYS 30 1.780 -7.306 4.972 194 H LYS 31 H LYS 31 -1.494 -7.837 4.595 195 HA LYS 31 HA LYS 31 -1.206 -10.272 5.860 196 HB2 LYS 31 HB2 LYS 31 -3.742 -8.903 4.953 197 HB3 LYS 31 HB3 LYS 31 -3.670 -10.200 6.140 198 HG2 LYS 31 HG2 LYS 31 -2.686 -8.851 7.753 199 HG3 LYS 31 HG3 LYS 31 -2.043 -7.738 6.554 200 HD2 LYS 31 HD2 LYS 31 -3.879 -6.746 7.838 201 HD3 LYS 31 HD3 LYS 31 -4.246 -6.856 6.117 202 HE2 LYS 31 HE2 LYS 31 -6.181 -7.466 7.398 203 HE3 LYS 31 HE3 LYS 31 -5.561 -8.897 6.575 204 HZ1 LYS 31 HZ1 LYS 31 -6.158 -9.417 8.836 205 HZ2 LYS 31 HZ2 LYS 31 -5.159 -8.202 9.436 206 HZ3 LYS 31 HZ3 LYS 31 -4.485 -9.544 8.667 207 H PHE 32 H PHE 32 -2.676 -9.606 2.684 208 HA PHE 32 HA PHE 32 -3.545 -12.177 2.108 209 HB2 PHE 32 HB2 PHE 32 -2.798 -9.801 0.479 210 HB3 PHE 32 HB3 PHE 32 -3.070 -11.329 -0.339 211 HD1 PHE 32 HD2 PHE 32 -5.315 -12.526 0.223 212 HD2 PHE 32 HD1 PHE 32 -4.575 -8.403 0.940 213 HE1 PHE 32 HE2 PHE 32 -7.736 -12.107 0.288 214 HE2 PHE 32 HE1 PHE 32 -6.993 -7.976 1.009 215 HZ PHE 32 HZ PHE 32 -8.579 -9.830 0.681 216 H GLN 33 H GLN 33 -0.329 -10.783 1.799 217 HA GLN 33 HA GLN 33 0.619 -13.203 0.459 218 HB2 GLN 33 HB2 GLN 33 2.719 -11.990 0.099 219 HB3 GLN 33 HB3 GLN 33 1.336 -11.092 -0.508 220 HG2 GLN 33 HG2 GLN 33 1.370 -9.715 1.512 221 HG3 GLN 33 HG3 GLN 33 2.800 -10.585 2.068 222 HE21 GLN 33 HE21 GLN 33 1.531 -8.303 -0.175 223 HE22 GLN 33 HE22 GLN 33 3.051 -7.701 -0.744 224 H ASN 34 H ASN 34 -0.156 -13.000 3.337 225 HA ASN 34 HA ASN 34 0.380 -14.162 5.211 226 HB2 ASN 34 HB2 ASN 34 1.397 -15.784 3.521 227 HB3 ASN 34 HB3 ASN 34 2.950 -15.051 3.903 228 HD21 ASN 34 HD21 ASN 34 3.748 -16.986 4.726 229 HD22 ASN 34 HD22 ASN 34 3.246 -17.606 6.259 230 H CYS 35 H CYS 35 1.201 -11.420 4.814 231 HA CYS 35 HA CYS 35 3.488 -11.361 6.626 232 HB2 CYS 35 HB2 CYS 35 2.391 -9.259 4.776 233 HB3 CYS 35 HB3 CYS 35 3.596 -8.902 6.009 234 H GLY 36 H GLY 36 3.368 -10.454 8.590 235 HA2 GLY 36 HA2 GLY 36 0.898 -10.536 9.910 236 HA3 GLY 36 HA3 GLY 36 2.374 -9.848 10.566 237 H THR 37 H THR 37 2.740 -7.788 8.716 238 HA THR 37 HA THR 37 0.312 -6.242 8.640 239 HB THR 37 HB THR 37 1.072 -5.932 10.986 240 HG1 THR 37 HG1 THR 37 0.097 -4.101 10.623 241 HG21 THR 37 HG21 THR 37 3.492 -4.641 9.715 242 HG22 THR 37 HG22 THR 37 3.486 -6.142 10.640 243 HG23 THR 37 HG23 THR 37 3.102 -4.614 11.434 244 H GLY 38 H GLY 38 0.949 -3.924 8.020 245 HA2 GLY 38 HA2 GLY 38 3.232 -3.831 6.209 246 HA3 GLY 38 HA3 GLY 38 1.644 -3.694 5.461 247 H HIS 39 H HIS 39 3.826 -1.753 5.562 248 HA HIS 39 HA HIS 39 2.178 0.474 6.359 249 HB2 HIS 39 HB2 HIS 39 3.728 1.561 7.812 250 HB3 HIS 39 HB3 HIS 39 3.562 -0.078 8.413 251 HD1 HIS 39 HD1 HIS 39 5.679 -1.460 8.580 252 HD2 HIS 39 HD2 HIS 39 6.252 2.118 6.541 253 HE1 HIS 39 HE1 HIS 39 8.162 -1.221 8.303 254 HE2 HIS 39 HE2 HIS 39 8.471 1.085 7.316 255 H CYS 40 H CYS 40 2.845 2.441 5.411 256 HA CYS 40 HA CYS 40 4.167 1.941 2.906 257 HB2 CYS 40 HB2 CYS 40 2.893 4.438 3.980 258 HB3 CYS 40 HB3 CYS 40 3.431 4.173 2.324 259 H GLU 41 H GLU 41 6.189 2.276 2.549 260 HA GLU 41 HA GLU 41 7.627 4.166 4.272 261 HB2 GLU 41 HB2 GLU 41 8.039 1.636 4.617 262 HB3 GLU 41 HB3 GLU 41 8.863 1.700 3.070 263 HG2 GLU 41 HG2 GLU 41 10.520 1.871 4.705 264 HG3 GLU 41 HG3 GLU 41 10.311 3.505 4.066 265 H ARG 42 H ARG 42 8.911 5.591 3.176 266 HA ARG 42 HA ARG 42 8.752 5.506 0.292 267 HB2 ARG 42 HB2 ARG 42 9.170 7.540 2.296 268 HB3 ARG 42 HB3 ARG 42 10.360 7.655 1.009 269 HG2 ARG 42 HG2 ARG 42 8.451 7.610 -0.616 270 HG3 ARG 42 HG3 ARG 42 7.372 7.759 0.771 271 HD2 ARG 42 HD2 ARG 42 7.879 9.922 -0.305 272 HD3 ARG 42 HD3 ARG 42 8.367 9.857 1.388 273 HE ARG 42 HE ARG 42 10.597 9.126 -0.025 274 HH11 ARG 42 HH11 ARG 42 8.451 11.906 0.009 275 HH12 ARG 42 HH12 ARG 42 9.683 13.035 -0.438 276 HH21 ARG 42 HH21 ARG 42 12.257 10.646 -0.586 277 HH22 ARG 42 HH22 ARG 42 11.846 12.310 -0.795 278 H ARG 43 H ARG 43 10.163 4.378 -0.800 279 HA ARG 43 HA ARG 43 12.875 4.096 0.270 280 HB2 ARG 43 HB2 ARG 43 11.435 2.372 -1.758 281 HB3 ARG 43 HB3 ARG 43 12.973 2.029 -0.983 282 HG2 ARG 43 HG2 ARG 43 10.513 2.341 0.687 283 HG3 ARG 43 HG3 ARG 43 10.797 0.837 -0.185 284 HD2 ARG 43 HD2 ARG 43 11.635 0.685 2.091 285 HD3 ARG 43 HD3 ARG 43 12.958 0.598 0.939 286 HE ARG 43 HE ARG 43 12.291 3.063 2.422 287 HH11 ARG 43 HH11 ARG 43 14.635 0.747 1.187 288 HH12 ARG 43 HH12 ARG 43 15.993 1.571 1.865 289 HH21 ARG 43 HH21 ARG 43 14.110 4.154 3.325 290 HH22 ARG 43 HH22 ARG 43 15.695 3.504 3.086 291 H GLY 44 H GLY 44 14.271 5.416 -0.756 292 HA2 GLY 44 HA2 GLY 44 15.399 6.465 -2.448 293 HA3 GLY 44 HA3 GLY 44 14.698 5.274 -3.529 294 H GLY 45 H GLY 45 13.318 7.958 -1.582 295 HA2 GLY 45 HA2 GLY 45 11.877 9.616 -2.149 296 HA3 GLY 45 HA3 GLY 45 12.690 9.624 -3.708 297 H ARG 46 H ARG 46 11.120 6.700 -2.735 298 HA ARG 46 HA ARG 46 8.779 7.411 -4.355 299 HB2 ARG 46 HB2 ARG 46 10.404 4.885 -4.603 300 HB3 ARG 46 HB3 ARG 46 8.854 5.147 -5.386 301 HG2 ARG 46 HG2 ARG 46 11.370 6.734 -5.877 302 HG3 ARG 46 HG3 ARG 46 10.725 5.469 -6.922 303 HD2 ARG 46 HD2 ARG 46 8.721 6.793 -7.319 304 HD3 ARG 46 HD3 ARG 46 9.307 8.039 -6.219 305 HE ARG 46 HE ARG 46 11.153 7.494 -8.328 306 HH11 ARG 46 HH11 ARG 46 8.231 9.280 -7.539 307 HH12 ARG 46 HH12 ARG 46 8.501 10.490 -8.740 308 HH21 ARG 46 HH21 ARG 46 11.501 9.095 -9.915 309 HH22 ARG 46 HH22 ARG 46 10.371 10.396 -10.087 310 HA PRO 47 HA PRO 47 6.832 5.763 -0.699 311 HB2 PRO 47 HB2 PRO 47 4.283 5.986 -1.649 312 HB3 PRO 47 HB3 PRO 47 5.198 7.333 -0.962 313 HG2 PRO 47 HG2 PRO 47 4.737 6.627 -3.832 314 HG3 PRO 47 HG3 PRO 47 4.721 8.220 -3.053 315 HD2 PRO 47 HD2 PRO 47 6.821 7.324 -4.480 316 HD3 PRO 47 HD3 PRO 47 7.016 8.388 -3.072 317 H THR 48 H THR 48 6.914 3.649 -0.364 318 HA THR 48 HA THR 48 5.639 1.865 -2.327 319 HB THR 48 HB THR 48 8.129 1.094 -0.806 320 HG1 THR 48 HG1 THR 48 8.035 3.030 -2.556 321 HG21 THR 48 HG21 THR 48 8.390 -0.493 -2.666 322 HG22 THR 48 HG22 THR 48 6.928 0.143 -3.418 323 HG23 THR 48 HG23 THR 48 6.828 -0.702 -1.873 324 H CYS 49 H CYS 49 4.812 -0.109 -1.437 325 HA CYS 49 HA CYS 49 4.082 0.095 1.367 326 HB2 CYS 49 HB2 CYS 49 2.249 -0.444 -0.057 327 HB3 CYS 49 HB3 CYS 49 3.176 -1.679 -0.902 328 H VAL 50 H VAL 50 5.334 -0.856 2.836 329 HA VAL 50 HA VAL 50 6.810 -3.241 1.989 330 HB VAL 50 HB VAL 50 8.599 -2.713 3.539 331 HG11 VAL 50 HG11 VAL 50 9.506 -0.699 2.481 332 HG12 VAL 50 HG12 VAL 50 7.909 -0.320 1.835 333 HG13 VAL 50 HG13 VAL 50 8.757 -1.771 1.297 334 HG21 VAL 50 HG21 VAL 50 7.021 -0.242 4.231 335 HG22 VAL 50 HG22 VAL 50 8.662 -0.598 4.775 336 HG23 VAL 50 HG23 VAL 50 7.319 -1.622 5.288 337 H CYS 51 H CYS 51 6.463 -5.034 3.057 338 HA CYS 51 HA CYS 51 4.547 -4.959 5.231 339 HB2 CYS 51 HB2 CYS 51 5.670 -7.352 3.779 340 HB3 CYS 51 HB3 CYS 51 4.288 -7.318 4.858 341 H SER 52 H SER 52 4.845 -6.043 7.178 342 HA SER 52 HA SER 52 7.624 -6.691 7.844 343 HB2 SER 52 HB2 SER 52 5.703 -5.142 9.598 344 HB3 SER 52 HB3 SER 52 7.365 -5.577 9.999 345 HG SER 52 HG SER 52 7.203 -4.295 7.613 346 H ARG 53 H ARG 53 7.860 -8.180 9.580 347 HA ARG 53 HA ARG 53 7.432 -10.151 10.619 348 HB2 ARG 53 HB2 ARG 53 4.644 -9.012 10.914 349 HB3 ARG 53 HB3 ARG 53 5.295 -10.369 11.819 350 HG2 ARG 53 HG2 ARG 53 6.337 -7.541 11.930 351 HG3 ARG 53 HG3 ARG 53 5.262 -8.278 13.115 352 HD2 ARG 53 HD2 ARG 53 7.401 -8.455 14.065 353 HD3 ARG 53 HD3 ARG 53 7.081 -10.055 13.404 354 HE ARG 53 HE ARG 53 8.594 -8.161 11.771 355 HH11 ARG 53 HH11 ARG 53 8.615 -11.043 13.780 356 HH12 ARG 53 HH12 ARG 53 10.172 -11.558 13.231 357 HH21 ARG 53 HH21 ARG 53 10.658 -8.862 11.042 358 HH22 ARG 53 HH22 ARG 53 11.323 -10.331 11.670 359 H CYS 54 H CYS 54 7.568 -10.580 8.101 360 HA CYS 54 HA CYS 54 5.149 -11.860 7.105 361 HB2 CYS 54 HB2 CYS 54 7.855 -11.492 5.808 362 HB3 CYS 54 HB3 CYS 54 6.448 -12.197 5.019 363 H GLY 55 H GLY 55 6.238 -13.968 5.596 364 HA2 GLY 55 HA2 GLY 55 6.485 -15.986 7.578 365 HA3 GLY 55 HA3 GLY 55 6.676 -16.200 5.843 366 H ASN 56 H ASN 56 8.354 -14.883 8.661 367 HA ASN 56 HA ASN 56 10.940 -15.306 7.396 368 HB2 ASN 56 HB2 ASN 56 10.269 -14.182 10.131 369 HB3 ASN 56 HB3 ASN 56 11.863 -14.200 9.389 370 HD21 ASN 56 HD21 ASN 56 12.271 -12.818 7.633 371 HD22 ASN 56 HD22 ASN 56 11.288 -11.429 7.334 372 H GLY 57 H GLY 57 12.618 -16.491 8.520 373 HA2 GLY 57 HA2 GLY 57 11.677 -18.478 10.455 374 HA3 GLY 57 HA3 GLY 57 12.295 -19.078 8.924 375 H GLY 58 H GLY 58 13.743 -20.180 10.562 376 HA2 GLY 58 HA2 GLY 58 15.779 -18.619 11.827 377 HA3 GLY 58 HA3 GLY 58 15.751 -20.367 11.660 378 H GLY 59 H GLY 59 16.954 -17.418 10.434 379 HA2 GLY 59 HA2 GLY 59 19.204 -18.061 9.284 380 HA3 GLY 59 HA3 GLY 59 18.095 -18.706 8.077 381 H GLU 60 H GLU 60 19.607 -15.917 9.325 382 HA GLU 60 HA GLU 60 18.352 -14.293 7.249 383 HB2 GLU 60 HB2 GLU 60 18.478 -13.543 10.175 384 HB3 GLU 60 HB3 GLU 60 18.078 -12.422 8.882 385 HG2 GLU 60 HG2 GLU 60 16.078 -13.590 8.380 386 HG3 GLU 60 HG3 GLU 60 16.518 -14.927 9.443 387 H TRP 61 H TRP 61 19.678 -12.835 6.373 388 HA TRP 61 HA TRP 61 22.160 -12.032 7.545 389 HB2 TRP 61 HB2 TRP 61 22.161 -13.788 5.067 390 HB3 TRP 61 HB3 TRP 61 23.531 -12.817 5.581 391 HD1 TRP 61 HD1 TRP 61 24.284 -13.478 8.285 392 HE1 TRP 61 HE1 TRP 61 24.694 -15.863 9.196 393 HE3 TRP 61 HE3 TRP 61 21.625 -16.116 4.825 394 HZ2 TRP 61 HZ2 TRP 61 23.969 -18.505 8.520 395 HZ3 TRP 61 HZ3 TRP 61 21.527 -18.564 5.025 396 HH2 TRP 61 HH2 TRP 61 22.673 -19.730 6.830 397 HA PRO 62 HA PRO 62 20.094 -9.061 4.670 398 HB2 PRO 62 HB2 PRO 62 20.597 -7.087 6.762 399 HB3 PRO 62 HB3 PRO 62 19.055 -7.604 6.073 400 HG2 PRO 62 HG2 PRO 62 19.789 -8.202 8.615 401 HG3 PRO 62 HG3 PRO 62 18.760 -9.266 7.640 402 HD2 PRO 62 HD2 PRO 62 21.700 -9.470 8.203 403 HD3 PRO 62 HD3 PRO 62 20.463 -10.747 8.185 404 H ASN 63 H ASN 63 22.863 -8.433 6.784 405 HA ASN 63 HA ASN 63 24.027 -6.580 4.868 406 HB2 ASN 63 HB2 ASN 63 25.709 -6.168 6.569 407 HB3 ASN 63 HB3 ASN 63 24.103 -6.076 7.287 408 HD21 ASN 63 HD21 ASN 63 26.942 -6.851 8.172 409 HD22 ASN 63 HD22 ASN 63 26.685 -8.286 9.101 410 H LEU 64 H LEU 64 24.372 -9.852 5.927 411 HA LEU 64 HA LEU 64 25.603 -11.610 5.183 412 HB2 LEU 64 HB2 LEU 64 26.874 -9.780 3.147 413 HB3 LEU 64 HB3 LEU 64 26.796 -11.530 3.104 414 HG LEU 64 HG LEU 64 24.398 -9.741 2.932 415 HD11 LEU 64 HD11 LEU 64 24.410 -10.241 0.519 416 HD12 LEU 64 HD12 LEU 64 25.933 -11.107 0.710 417 HD13 LEU 64 HD13 LEU 64 25.864 -9.371 1.006 418 HD21 LEU 64 HD21 LEU 64 24.779 -12.684 2.374 419 HD22 LEU 64 HD22 LEU 64 23.297 -11.775 2.069 420 HD23 LEU 64 HD23 LEU 64 23.886 -11.972 3.720 421 HA PRO 65 HA PRO 65 29.012 -9.980 7.745 422 HB2 PRO 65 HB2 PRO 65 28.986 -11.933 9.586 423 HB3 PRO 65 HB3 PRO 65 27.810 -10.612 9.607 424 HG2 PRO 65 HG2 PRO 65 27.496 -13.406 8.582 425 HG3 PRO 65 HG3 PRO 65 26.371 -12.439 9.553 426 HD2 PRO 65 HD2 PRO 65 26.144 -12.755 6.853 427 HD3 PRO 65 HD3 PRO 65 25.559 -11.322 7.721 428 H SER 66 H SER 66 28.762 -12.477 5.642 429 HA SER 66 HA SER 66 31.150 -13.901 6.360 430 HB2 SER 66 HB2 SER 66 29.229 -14.982 5.168 431 HB3 SER 66 HB3 SER 66 29.599 -13.990 3.759 432 HG SER 66 HG SER 66 30.782 -16.268 4.647 433 H ARG 67 H ARG 67 32.963 -12.757 6.248 434 HA ARG 67 HA ARG 67 33.395 -10.925 4.007 435 HB2 ARG 67 HB2 ARG 67 34.920 -9.782 5.319 436 HB3 ARG 67 HB3 ARG 67 33.840 -10.401 6.552 437 HG2 ARG 67 HG2 ARG 67 36.579 -11.433 5.819 438 HG3 ARG 67 HG3 ARG 67 36.087 -10.657 7.320 439 HD2 ARG 67 HD2 ARG 67 35.212 -13.369 6.319 440 HD3 ARG 67 HD3 ARG 67 36.348 -13.057 7.628 441 HE ARG 67 HE ARG 67 34.127 -11.797 8.473 442 HH11 ARG 67 HH11 ARG 67 34.641 -15.029 7.158 443 HH12 ARG 67 HH12 ARG 67 33.416 -15.757 8.138 444 HH21 ARG 67 HH21 ARG 67 32.493 -12.770 9.766 445 HH22 ARG 67 HH22 ARG 67 32.197 -14.469 9.644 446 H GLY 68 H GLY 68 33.736 -14.060 4.532 447 HA2 GLY 68 HA2 GLY 68 34.880 -15.466 2.968 448 HA3 GLY 68 HA3 GLY 68 36.181 -14.279 2.926 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 2.730 0.396 -15.208 2 H2 GLY 1 H2 GLY 1 2.154 0.928 -13.719 3 H3 GLY 1 H3 GLY 1 3.708 1.368 -14.229 4 HA2 GLY 1 HA2 GLY 1 2.205 3.217 -14.481 5 HA3 GLY 1 HA3 GLY 1 2.768 2.645 -16.047 6 H SER 2 H SER 2 0.796 3.820 -16.749 7 HA SER 2 HA SER 2 -1.321 3.838 -17.586 8 HB2 SER 2 HB2 SER 2 -1.295 0.841 -17.157 9 HB3 SER 2 HB3 SER 2 -2.225 1.745 -18.352 10 HG SER 2 HG SER 2 0.349 0.852 -18.444 11 H ALA 3 H ALA 3 -1.200 4.545 -15.000 12 HA ALA 3 HA ALA 3 -3.780 4.003 -13.964 13 HB1 ALA 3 HB1 ALA 3 -1.490 2.770 -12.427 14 HB2 ALA 3 HB2 ALA 3 -2.731 1.879 -13.307 15 HB3 ALA 3 HB3 ALA 3 -3.172 2.848 -11.901 16 H LEU 4 H LEU 4 -4.063 5.044 -11.805 17 HA LEU 4 HA LEU 4 -2.741 7.575 -11.762 18 HB2 LEU 4 HB2 LEU 4 -4.196 8.218 -10.039 19 HB3 LEU 4 HB3 LEU 4 -5.131 7.144 -11.055 20 HG LEU 4 HG LEU 4 -3.817 6.201 -8.510 21 HD11 LEU 4 HD11 LEU 4 -5.312 8.039 -7.952 22 HD12 LEU 4 HD12 LEU 4 -5.981 6.499 -7.416 23 HD13 LEU 4 HD13 LEU 4 -6.610 7.275 -8.868 24 HD21 LEU 4 HD21 LEU 4 -5.498 4.431 -8.644 25 HD22 LEU 4 HD22 LEU 4 -4.492 4.463 -10.091 26 HD23 LEU 4 HD23 LEU 4 -6.124 5.133 -10.137 27 H ASP 5 H ASP 5 -2.160 4.556 -10.191 28 HA ASP 5 HA ASP 5 0.057 5.811 -8.749 29 HB2 ASP 5 HB2 ASP 5 -0.384 4.521 -6.774 30 HB3 ASP 5 HB3 ASP 5 -1.875 5.356 -7.198 31 H PHE 6 H PHE 6 1.853 4.505 -8.485 32 HA PHE 6 HA PHE 6 1.869 2.057 -10.092 33 HB2 PHE 6 HB2 PHE 6 4.282 2.297 -10.255 34 HB3 PHE 6 HB3 PHE 6 3.521 3.805 -10.736 35 HD1 PHE 6 HD2 PHE 6 3.341 5.621 -8.847 36 HD2 PHE 6 HD1 PHE 6 6.029 2.322 -8.766 37 HE1 PHE 6 HE2 PHE 6 4.764 6.823 -7.242 38 HE2 PHE 6 HE1 PHE 6 7.456 3.519 -7.163 39 HZ PHE 6 HZ PHE 6 6.828 5.772 -6.399 40 H THR 7 H THR 7 2.213 3.319 -6.941 41 HA THR 7 HA THR 7 2.694 0.623 -5.917 42 HB THR 7 HB THR 7 3.660 1.855 -3.870 43 HG1 THR 7 HG1 THR 7 4.550 3.883 -4.334 44 HG21 THR 7 HG21 THR 7 5.910 1.896 -4.858 45 HG22 THR 7 HG22 THR 7 5.200 1.817 -6.470 46 HG23 THR 7 HG23 THR 7 5.013 0.462 -5.356 47 H SER 8 H SER 8 1.507 0.015 -4.148 48 HA SER 8 HA SER 8 -1.088 0.942 -3.866 49 HB2 SER 8 HB2 SER 8 0.383 -0.412 -1.621 50 HB3 SER 8 HB3 SER 8 -1.292 -0.628 -2.137 51 HG SER 8 HG SER 8 -0.518 -1.631 -4.029 52 H CYS 9 H CYS 9 1.828 2.074 -2.371 53 HA CYS 9 HA CYS 9 0.309 3.614 -0.415 54 HB2 CYS 9 HB2 CYS 9 3.176 2.778 -0.534 55 HB3 CYS 9 HB3 CYS 9 2.630 4.058 0.547 56 H ALA 10 H ALA 10 1.003 4.196 -3.423 57 HA ALA 10 HA ALA 10 2.500 6.579 -3.433 58 HB1 ALA 10 HB1 ALA 10 1.924 5.300 -5.464 59 HB2 ALA 10 HB2 ALA 10 1.510 7.010 -5.608 60 HB3 ALA 10 HB3 ALA 10 0.248 5.820 -5.292 61 H ARG 11 H ARG 11 -0.805 5.899 -2.612 62 HA ARG 11 HA ARG 11 -1.838 8.504 -2.753 63 HB2 ARG 11 HB2 ARG 11 -3.350 7.340 -0.766 64 HB3 ARG 11 HB3 ARG 11 -3.694 7.313 -2.482 65 HG2 ARG 11 HG2 ARG 11 -1.964 5.185 -1.314 66 HG3 ARG 11 HG3 ARG 11 -3.710 5.120 -1.070 67 HD2 ARG 11 HD2 ARG 11 -2.254 5.202 -3.713 68 HD3 ARG 11 HD3 ARG 11 -3.122 3.829 -3.023 69 HE ARG 11 HE ARG 11 -4.766 6.159 -3.355 70 HH11 ARG 11 HH11 ARG 11 -3.510 3.323 -4.976 71 HH12 ARG 11 HH12 ARG 11 -4.736 3.306 -6.186 72 HH21 ARG 11 HH21 ARG 11 -6.415 6.131 -4.920 73 HH22 ARG 11 HH22 ARG 11 -6.429 4.898 -6.137 74 H MET 12 H MET 12 0.456 7.271 -0.613 75 HA MET 12 HA MET 12 -0.171 8.585 1.774 76 HB2 MET 12 HB2 MET 12 2.127 8.365 2.407 77 HB3 MET 12 HB3 MET 12 1.747 6.959 1.424 78 HG2 MET 12 HG2 MET 12 2.972 7.739 -0.396 79 HG3 MET 12 HG3 MET 12 2.987 9.394 0.200 80 HE1 MET 12 HE1 MET 12 5.514 5.977 2.018 81 HE2 MET 12 HE2 MET 12 4.352 5.765 0.708 82 HE3 MET 12 HE3 MET 12 3.789 6.144 2.338 83 H ASN 13 H ASN 13 0.443 9.968 -1.282 84 HA ASN 13 HA ASN 13 1.410 12.489 -0.127 85 HB2 ASN 13 HB2 ASN 13 1.434 11.562 -3.017 86 HB3 ASN 13 HB3 ASN 13 2.093 13.077 -2.413 87 HD21 ASN 13 HD21 ASN 13 2.562 9.686 -2.765 88 HD22 ASN 13 HD22 ASN 13 4.196 9.642 -2.202 89 H ASP 14 H ASP 14 -1.373 11.345 -0.184 90 HA ASP 14 HA ASP 14 -2.690 13.397 -1.844 91 HB2 ASP 14 HB2 ASP 14 -3.172 11.006 -2.517 92 HB3 ASP 14 HB3 ASP 14 -3.844 10.742 -0.929 93 H GLY 15 H GLY 15 -1.603 13.472 0.949 94 HA2 GLY 15 HA2 GLY 15 -2.297 14.781 2.743 95 HA3 GLY 15 HA3 GLY 15 -3.956 14.639 2.181 96 H ALA 16 H ALA 16 -4.078 14.375 4.646 97 HA ALA 16 HA ALA 16 -3.262 12.064 5.958 98 HB1 ALA 16 HB1 ALA 16 -4.964 12.588 7.605 99 HB2 ALA 16 HB2 ALA 16 -5.757 13.672 6.465 100 HB3 ALA 16 HB3 ALA 16 -4.150 14.060 7.077 101 H LEU 17 H LEU 17 -6.102 12.651 3.965 102 HA LEU 17 HA LEU 17 -7.430 10.219 4.566 103 HB2 LEU 17 HB2 LEU 17 -8.113 12.439 3.171 104 HB3 LEU 17 HB3 LEU 17 -7.725 11.359 1.847 105 HG LEU 17 HG LEU 17 -10.114 11.344 2.300 106 HD11 LEU 17 HD11 LEU 17 -8.816 8.757 3.124 107 HD12 LEU 17 HD12 LEU 17 -9.115 9.290 1.471 108 HD13 LEU 17 HD13 LEU 17 -10.471 8.949 2.546 109 HD21 LEU 17 HD21 LEU 17 -10.041 11.940 4.665 110 HD22 LEU 17 HD22 LEU 17 -9.381 10.351 5.052 111 HD23 LEU 17 HD23 LEU 17 -11.011 10.494 4.397 112 H GLY 18 H GLY 18 -5.193 11.204 2.015 113 HA2 GLY 18 HA2 GLY 18 -5.050 8.791 0.604 114 HA3 GLY 18 HA3 GLY 18 -3.785 10.004 0.690 115 H ALA 19 H ALA 19 -3.135 9.958 3.357 116 HA ALA 19 HA ALA 19 -1.364 7.815 3.555 117 HB1 ALA 19 HB1 ALA 19 -2.507 9.494 5.788 118 HB2 ALA 19 HB2 ALA 19 -1.103 9.906 4.806 119 HB3 ALA 19 HB3 ALA 19 -1.048 8.507 5.878 120 H LYS 20 H LYS 20 -4.618 8.233 4.731 121 HA LYS 20 HA LYS 20 -4.759 5.884 6.306 122 HB2 LYS 20 HB2 LYS 20 -6.417 8.044 5.796 123 HB3 LYS 20 HB3 LYS 20 -7.267 6.706 5.046 124 HG2 LYS 20 HG2 LYS 20 -8.079 6.949 7.266 125 HG3 LYS 20 HG3 LYS 20 -7.110 5.475 7.201 126 HD2 LYS 20 HD2 LYS 20 -6.626 6.752 9.230 127 HD3 LYS 20 HD3 LYS 20 -5.213 6.680 8.174 128 HE2 LYS 20 HE2 LYS 20 -5.612 8.918 7.396 129 HE3 LYS 20 HE3 LYS 20 -7.143 8.996 8.267 130 HZ1 LYS 20 HZ1 LYS 20 -5.926 8.859 10.341 131 HZ2 LYS 20 HZ2 LYS 20 -5.384 10.168 9.421 132 HZ3 LYS 20 HZ3 LYS 20 -4.455 8.763 9.509 133 H VAL 21 H VAL 21 -5.742 6.638 2.977 134 HA VAL 21 HA VAL 21 -6.708 4.089 2.305 135 HB VAL 21 HB VAL 21 -5.397 6.082 0.421 136 HG11 VAL 21 HG11 VAL 21 -5.650 3.885 -0.565 137 HG12 VAL 21 HG12 VAL 21 -6.812 5.003 -1.284 138 HG13 VAL 21 HG13 VAL 21 -7.342 3.830 -0.075 139 HG21 VAL 21 HG21 VAL 21 -7.192 7.154 1.662 140 HG22 VAL 21 HG22 VAL 21 -8.286 5.828 1.263 141 HG23 VAL 21 HG23 VAL 21 -7.677 6.884 -0.013 142 H ALA 22 H ALA 22 -3.532 5.554 1.893 143 HA ALA 22 HA ALA 22 -2.252 3.464 0.589 144 HB1 ALA 22 HB1 ALA 22 -1.301 5.695 0.780 145 HB2 ALA 22 HB2 ALA 22 -0.168 4.484 1.383 146 HB3 ALA 22 HB3 ALA 22 -1.091 5.469 2.516 147 H GLN 23 H GLN 23 -2.292 4.174 4.093 148 HA GLN 23 HA GLN 23 -0.767 1.932 4.808 149 HB2 GLN 23 HB2 GLN 23 -1.211 2.466 7.042 150 HB3 GLN 23 HB3 GLN 23 -1.328 4.010 6.212 151 HG2 GLN 23 HG2 GLN 23 -3.772 3.800 6.200 152 HG3 GLN 23 HG3 GLN 23 -3.618 2.280 7.085 153 HE21 GLN 23 HE21 GLN 23 -2.939 2.318 9.216 154 HE22 GLN 23 HE22 GLN 23 -2.976 3.753 10.173 155 H ALA 24 H ALA 24 -4.268 2.371 4.505 156 HA ALA 24 HA ALA 24 -5.030 -0.104 5.613 157 HB1 ALA 24 HB1 ALA 24 -6.454 1.577 3.550 158 HB2 ALA 24 HB2 ALA 24 -6.587 1.754 5.302 159 HB3 ALA 24 HB3 ALA 24 -7.177 0.289 4.516 160 H ALA 25 H ALA 25 -4.518 0.929 2.272 161 HA ALA 25 HA ALA 25 -5.109 -1.543 1.071 162 HB1 ALA 25 HB1 ALA 25 -5.024 0.561 -0.181 163 HB2 ALA 25 HB2 ALA 25 -3.970 -0.658 -0.896 164 HB3 ALA 25 HB3 ALA 25 -3.282 0.642 0.076 165 H CYS 26 H CYS 26 -2.179 -0.212 2.478 166 HA CYS 26 HA CYS 26 -0.422 -2.181 1.449 167 HB2 CYS 26 HB2 CYS 26 0.271 0.077 2.270 168 HB3 CYS 26 HB3 CYS 26 -0.069 -0.462 3.910 169 H ILE 27 H ILE 27 -1.908 -1.727 4.660 170 HA ILE 27 HA ILE 27 -0.834 -3.942 5.943 171 HB ILE 27 HB ILE 27 -3.562 -2.695 6.328 172 HG12 ILE 27 HG12 ILE 27 -1.055 -2.293 7.966 173 HG13 ILE 27 HG13 ILE 27 -1.516 -1.234 6.645 174 HG21 ILE 27 HG21 ILE 27 -3.604 -4.890 7.302 175 HG22 ILE 27 HG22 ILE 27 -3.468 -3.708 8.605 176 HG23 ILE 27 HG23 ILE 27 -2.050 -4.620 8.089 177 HD11 ILE 27 HD11 ILE 27 -2.149 -0.301 8.792 178 HD12 ILE 27 HD12 ILE 27 -3.108 -1.739 9.150 179 HD13 ILE 27 HD13 ILE 27 -3.578 -0.670 7.828 180 H SER 28 H SER 28 -3.961 -3.726 4.244 181 HA SER 28 HA SER 28 -4.714 -6.388 4.600 182 HB2 SER 28 HB2 SER 28 -5.424 -4.666 2.229 183 HB3 SER 28 HB3 SER 28 -6.334 -6.028 2.889 184 HG SER 28 HG SER 28 -6.996 -3.789 3.475 185 H SER 29 H SER 29 -2.932 -4.885 1.898 186 HA SER 29 HA SER 29 -2.740 -7.197 0.311 187 HB2 SER 29 HB2 SER 29 -0.833 -4.845 0.432 188 HB3 SER 29 HB3 SER 29 -0.937 -6.025 -0.873 189 HG SER 29 HG SER 29 -2.770 -4.021 -0.120 190 H CYS 30 H CYS 30 -0.769 -5.980 2.955 191 HA CYS 30 HA CYS 30 1.375 -7.775 2.624 192 HB2 CYS 30 HB2 CYS 30 0.370 -6.232 5.008 193 HB3 CYS 30 HB3 CYS 30 1.844 -7.197 5.042 194 H LYS 31 H LYS 31 -1.463 -7.854 4.757 195 HA LYS 31 HA LYS 31 -0.942 -10.304 5.977 196 HB2 LYS 31 HB2 LYS 31 -3.621 -9.078 5.302 197 HB3 LYS 31 HB3 LYS 31 -3.331 -10.318 6.516 198 HG2 LYS 31 HG2 LYS 31 -2.332 -8.848 7.979 199 HG3 LYS 31 HG3 LYS 31 -1.848 -7.742 6.695 200 HD2 LYS 31 HD2 LYS 31 -3.599 -6.720 7.968 201 HD3 LYS 31 HD3 LYS 31 -4.230 -7.142 6.376 202 HE2 LYS 31 HE2 LYS 31 -5.843 -7.679 8.078 203 HE3 LYS 31 HE3 LYS 31 -5.236 -9.166 7.352 204 HZ1 LYS 31 HZ1 LYS 31 -4.310 -8.026 9.941 205 HZ2 LYS 31 HZ2 LYS 31 -3.794 -9.484 9.258 206 HZ3 LYS 31 HZ3 LYS 31 -5.387 -9.320 9.774 207 H PHE 32 H PHE 32 -2.651 -9.533 2.970 208 HA PHE 32 HA PHE 32 -3.605 -12.034 2.322 209 HB2 PHE 32 HB2 PHE 32 -3.626 -9.549 1.193 210 HB3 PHE 32 HB3 PHE 32 -2.614 -10.444 0.068 211 HD1 PHE 32 HD1 PHE 32 -5.770 -10.975 1.964 212 HD2 PHE 32 HD2 PHE 32 -3.685 -11.385 -1.714 213 HE1 PHE 32 HE1 PHE 32 -7.791 -11.936 0.932 214 HE2 PHE 32 HE2 PHE 32 -5.696 -12.345 -2.757 215 HZ PHE 32 HZ PHE 32 -7.751 -12.621 -1.433 216 H GLN 33 H GLN 33 -0.384 -10.678 1.811 217 HA GLN 33 HA GLN 33 0.445 -13.089 0.378 218 HB2 GLN 33 HB2 GLN 33 2.533 -11.880 -0.073 219 HB3 GLN 33 HB3 GLN 33 1.124 -10.959 -0.577 220 HG2 GLN 33 HG2 GLN 33 1.293 -9.663 1.521 221 HG3 GLN 33 HG3 GLN 33 2.789 -10.522 1.885 222 HE21 GLN 33 HE21 GLN 33 1.256 -8.159 -0.090 223 HE22 GLN 33 HE22 GLN 33 2.690 -7.500 -0.794 224 H ASN 34 H ASN 34 -0.107 -12.809 3.346 225 HA ASN 34 HA ASN 34 0.545 -13.885 5.216 226 HB2 ASN 34 HB2 ASN 34 1.266 -15.683 3.559 227 HB3 ASN 34 HB3 ASN 34 2.898 -15.046 3.717 228 HD21 ASN 34 HD21 ASN 34 4.028 -15.389 5.614 229 HD22 ASN 34 HD22 ASN 34 3.505 -16.493 6.838 230 H CYS 35 H CYS 35 1.166 -11.344 5.021 231 HA CYS 35 HA CYS 35 3.711 -11.211 6.473 232 HB2 CYS 35 HB2 CYS 35 2.375 -9.100 4.782 233 HB3 CYS 35 HB3 CYS 35 3.757 -8.787 5.825 234 H GLY 36 H GLY 36 3.663 -10.441 8.465 235 HA2 GLY 36 HA2 GLY 36 1.286 -10.503 9.935 236 HA3 GLY 36 HA3 GLY 36 2.803 -9.827 10.501 237 H THR 37 H THR 37 3.051 -7.738 8.748 238 HA THR 37 HA THR 37 0.627 -6.149 8.876 239 HB THR 37 HB THR 37 1.414 -5.820 11.141 240 HG1 THR 37 HG1 THR 37 2.347 -3.413 10.216 241 HG21 THR 37 HG21 THR 37 3.615 -4.888 11.651 242 HG22 THR 37 HG22 THR 37 4.021 -4.911 9.935 243 HG23 THR 37 HG23 THR 37 3.766 -6.428 10.799 244 H GLY 38 H GLY 38 1.078 -3.873 8.143 245 HA2 GLY 38 HA2 GLY 38 3.300 -3.687 6.268 246 HA3 GLY 38 HA3 GLY 38 1.671 -3.605 5.594 247 H HIS 39 H HIS 39 3.845 -1.610 5.685 248 HA HIS 39 HA HIS 39 2.120 0.561 6.465 249 HB2 HIS 39 HB2 HIS 39 3.590 1.684 7.949 250 HB3 HIS 39 HB3 HIS 39 3.543 0.024 8.517 251 HD1 HIS 39 HD1 HIS 39 5.749 -1.244 8.564 252 HD2 HIS 39 HD2 HIS 39 6.058 2.482 6.764 253 HE1 HIS 39 HE1 HIS 39 8.209 -0.811 8.332 254 HE2 HIS 39 HE2 HIS 39 8.354 1.569 7.481 255 H CYS 40 H CYS 40 2.717 2.532 5.513 256 HA CYS 40 HA CYS 40 4.098 2.083 3.029 257 HB2 CYS 40 HB2 CYS 40 2.723 4.556 4.064 258 HB3 CYS 40 HB3 CYS 40 3.311 4.275 2.425 259 H GLU 41 H GLU 41 6.097 2.556 2.653 260 HA GLU 41 HA GLU 41 7.433 4.506 4.393 261 HB2 GLU 41 HB2 GLU 41 7.834 2.021 4.950 262 HB3 GLU 41 HB3 GLU 41 8.732 1.960 3.443 263 HG2 GLU 41 HG2 GLU 41 10.291 2.257 5.173 264 HG3 GLU 41 HG3 GLU 41 10.159 3.808 4.341 265 H ARG 42 H ARG 42 8.926 5.802 3.300 266 HA ARG 42 HA ARG 42 8.892 5.511 0.418 267 HB2 ARG 42 HB2 ARG 42 9.842 7.711 2.229 268 HB3 ARG 42 HB3 ARG 42 10.212 7.692 0.511 269 HG2 ARG 42 HG2 ARG 42 7.782 7.554 0.064 270 HG3 ARG 42 HG3 ARG 42 7.501 7.802 1.791 271 HD2 ARG 42 HD2 ARG 42 7.304 9.932 0.815 272 HD3 ARG 42 HD3 ARG 42 8.918 9.907 1.530 273 HE ARG 42 HE ARG 42 9.045 9.069 -1.162 274 HH11 ARG 42 HH11 ARG 42 8.570 11.950 0.784 275 HH12 ARG 42 HH12 ARG 42 9.123 13.038 -0.435 276 HH21 ARG 42 HH21 ARG 42 9.747 10.527 -2.820 277 HH22 ARG 42 HH22 ARG 42 9.793 12.229 -2.495 278 H ARG 43 H ARG 43 10.294 4.405 -0.517 279 HA ARG 43 HA ARG 43 12.902 3.946 0.779 280 HB2 ARG 43 HB2 ARG 43 11.510 2.275 -1.326 281 HB3 ARG 43 HB3 ARG 43 13.040 1.893 -0.554 282 HG2 ARG 43 HG2 ARG 43 10.403 2.099 0.895 283 HG3 ARG 43 HG3 ARG 43 11.116 0.593 0.321 284 HD2 ARG 43 HD2 ARG 43 11.633 0.799 2.645 285 HD3 ARG 43 HD3 ARG 43 13.117 1.095 1.745 286 HE ARG 43 HE ARG 43 11.754 3.525 2.307 287 HH11 ARG 43 HH11 ARG 43 13.752 1.083 3.825 288 HH12 ARG 43 HH12 ARG 43 14.415 2.174 4.989 289 HH21 ARG 43 HH21 ARG 43 12.606 4.963 3.853 290 HH22 ARG 43 HH22 ARG 43 13.761 4.396 5.007 291 H GLY 44 H GLY 44 14.342 5.307 -0.018 292 HA2 GLY 44 HA2 GLY 44 15.556 6.556 -1.525 293 HA3 GLY 44 HA3 GLY 44 15.119 5.329 -2.710 294 H GLY 45 H GLY 45 13.218 7.742 -0.885 295 HA2 GLY 45 HA2 GLY 45 11.813 9.381 -1.604 296 HA3 GLY 45 HA3 GLY 45 12.550 9.249 -3.191 297 H ARG 46 H ARG 46 11.636 6.262 -2.676 298 HA ARG 46 HA ARG 46 9.171 6.699 -4.200 299 HB2 ARG 46 HB2 ARG 46 10.860 4.227 -3.915 300 HB3 ARG 46 HB3 ARG 46 9.365 4.309 -4.841 301 HG2 ARG 46 HG2 ARG 46 11.811 5.982 -5.336 302 HG3 ARG 46 HG3 ARG 46 11.355 4.538 -6.256 303 HD2 ARG 46 HD2 ARG 46 9.257 5.653 -6.904 304 HD3 ARG 46 HD3 ARG 46 9.753 7.086 -6.010 305 HE ARG 46 HE ARG 46 11.706 6.343 -7.924 306 HH11 ARG 46 HH11 ARG 46 8.585 7.919 -7.574 307 HH12 ARG 46 HH12 ARG 46 8.758 8.869 -9.007 308 HH21 ARG 46 HH21 ARG 46 11.926 7.618 -9.842 309 HH22 ARG 46 HH22 ARG 46 10.656 8.701 -10.286 310 HA PRO 47 HA PRO 47 6.865 5.662 -0.472 311 HB2 PRO 47 HB2 PRO 47 4.642 6.083 -2.368 312 HB3 PRO 47 HB3 PRO 47 4.938 6.831 -0.797 313 HG2 PRO 47 HG2 PRO 47 5.250 8.207 -3.067 314 HG3 PRO 47 HG3 PRO 47 6.315 8.457 -1.671 315 HD2 PRO 47 HD2 PRO 47 6.813 6.942 -4.192 316 HD3 PRO 47 HD3 PRO 47 7.908 7.977 -3.245 317 H THR 48 H THR 48 7.053 3.497 -0.215 318 HA THR 48 HA THR 48 5.632 1.786 -2.141 319 HB THR 48 HB THR 48 8.096 0.936 -0.609 320 HG1 THR 48 HG1 THR 48 8.339 2.798 -2.201 321 HG21 THR 48 HG21 THR 48 6.653 -0.837 -1.539 322 HG22 THR 48 HG22 THR 48 8.225 -0.788 -2.332 323 HG23 THR 48 HG23 THR 48 6.810 -0.113 -3.140 324 H CYS 49 H CYS 49 4.724 -0.135 -1.256 325 HA CYS 49 HA CYS 49 3.943 0.086 1.525 326 HB2 CYS 49 HB2 CYS 49 2.161 -0.460 0.014 327 HB3 CYS 49 HB3 CYS 49 3.112 -1.730 -0.746 328 H VAL 50 H VAL 50 5.505 -0.618 2.870 329 HA VAL 50 HA VAL 50 6.917 -3.032 2.090 330 HB VAL 50 HB VAL 50 8.652 -2.462 3.696 331 HG11 VAL 50 HG11 VAL 50 9.529 -0.436 2.642 332 HG12 VAL 50 HG12 VAL 50 7.940 -0.106 1.952 333 HG13 VAL 50 HG13 VAL 50 8.840 -1.538 1.450 334 HG21 VAL 50 HG21 VAL 50 6.990 -0.027 4.323 335 HG22 VAL 50 HG22 VAL 50 8.622 -0.337 4.918 336 HG23 VAL 50 HG23 VAL 50 7.290 -1.392 5.398 337 H CYS 51 H CYS 51 6.537 -4.842 3.090 338 HA CYS 51 HA CYS 51 4.676 -4.792 5.323 339 HB2 CYS 51 HB2 CYS 51 5.584 -7.156 3.696 340 HB3 CYS 51 HB3 CYS 51 4.251 -7.101 4.835 341 H SER 52 H SER 52 4.989 -6.041 7.163 342 HA SER 52 HA SER 52 7.792 -6.704 7.727 343 HB2 SER 52 HB2 SER 52 5.800 -5.620 9.724 344 HB3 SER 52 HB3 SER 52 7.529 -5.859 9.958 345 HG SER 52 HG SER 52 7.864 -4.268 8.313 346 H ARG 53 H ARG 53 8.106 -8.471 9.131 347 HA ARG 53 HA ARG 53 7.763 -10.580 9.838 348 HB2 ARG 53 HB2 ARG 53 5.007 -9.512 10.467 349 HB3 ARG 53 HB3 ARG 53 5.631 -11.055 11.029 350 HG2 ARG 53 HG2 ARG 53 6.868 -8.383 11.676 351 HG3 ARG 53 HG3 ARG 53 5.734 -9.238 12.719 352 HD2 ARG 53 HD2 ARG 53 7.934 -9.709 13.520 353 HD3 ARG 53 HD3 ARG 53 7.334 -11.167 12.737 354 HE ARG 53 HE ARG 53 9.176 -9.301 11.376 355 HH11 ARG 53 HH11 ARG 53 8.307 -12.566 12.360 356 HH12 ARG 53 HH12 ARG 53 9.638 -13.293 11.528 357 HH21 ARG 53 HH21 ARG 53 10.926 -10.288 10.280 358 HH22 ARG 53 HH22 ARG 53 11.120 -12.007 10.343 359 H CYS 54 H CYS 54 7.810 -10.544 7.308 360 HA CYS 54 HA CYS 54 5.461 -11.889 6.203 361 HB2 CYS 54 HB2 CYS 54 8.050 -11.018 4.914 362 HB3 CYS 54 HB3 CYS 54 6.732 -11.811 4.057 363 H GLY 55 H GLY 55 5.884 -13.969 4.878 364 HA2 GLY 55 HA2 GLY 55 8.038 -15.512 6.134 365 HA3 GLY 55 HA3 GLY 55 6.403 -16.149 5.965 366 H ASN 56 H ASN 56 7.724 -14.083 3.598 367 HA ASN 56 HA ASN 56 8.610 -16.126 1.825 368 HB2 ASN 56 HB2 ASN 56 5.963 -16.118 1.808 369 HB3 ASN 56 HB3 ASN 56 6.185 -14.706 0.780 370 HD21 ASN 56 HD21 ASN 56 5.079 -17.353 0.186 371 HD22 ASN 56 HD22 ASN 56 6.005 -17.965 -1.139 372 H GLY 57 H GLY 57 9.151 -15.141 -0.339 373 HA2 GLY 57 HA2 GLY 57 9.503 -13.110 -1.615 374 HA3 GLY 57 HA3 GLY 57 9.617 -12.239 -0.090 375 H GLY 58 H GLY 58 11.374 -13.424 1.413 376 HA2 GLY 58 HA2 GLY 58 13.480 -14.735 1.047 377 HA3 GLY 58 HA3 GLY 58 13.758 -13.639 -0.295 378 H GLY 59 H GLY 59 12.434 -11.524 1.710 379 HA2 GLY 59 HA2 GLY 59 13.174 -10.157 3.391 380 HA3 GLY 59 HA3 GLY 59 14.480 -11.287 3.704 381 H GLU 60 H GLU 60 15.436 -11.265 1.017 382 HA GLU 60 HA GLU 60 16.330 -8.695 0.232 383 HB2 GLU 60 HB2 GLU 60 18.256 -10.356 1.869 384 HB3 GLU 60 HB3 GLU 60 18.816 -9.162 0.709 385 HG2 GLU 60 HG2 GLU 60 17.446 -7.469 1.973 386 HG3 GLU 60 HG3 GLU 60 17.215 -8.705 3.206 387 H TRP 61 H TRP 61 16.441 -12.094 0.105 388 HA TRP 61 HA TRP 61 18.067 -12.353 -2.231 389 HB2 TRP 61 HB2 TRP 61 16.248 -14.254 -0.798 390 HB3 TRP 61 HB3 TRP 61 16.972 -14.685 -2.344 391 HD1 TRP 61 HD1 TRP 61 19.797 -14.338 -2.322 392 HE1 TRP 61 HE1 TRP 61 21.432 -15.138 -0.486 393 HE3 TRP 61 HE3 TRP 61 16.494 -14.805 1.532 394 HZ2 TRP 61 HZ2 TRP 61 21.309 -15.881 2.233 395 HZ3 TRP 61 HZ3 TRP 61 17.325 -15.568 3.714 396 HH2 TRP 61 HH2 TRP 61 19.680 -16.094 4.056 397 HA PRO 62 HA PRO 62 14.978 -11.091 -5.112 398 HB2 PRO 62 HB2 PRO 62 16.538 -11.254 -7.315 399 HB3 PRO 62 HB3 PRO 62 16.679 -9.932 -6.151 400 HG2 PRO 62 HG2 PRO 62 18.365 -12.378 -6.457 401 HG3 PRO 62 HG3 PRO 62 18.859 -10.712 -6.110 402 HD2 PRO 62 HD2 PRO 62 18.641 -12.656 -4.203 403 HD3 PRO 62 HD3 PRO 62 18.434 -10.925 -3.868 404 H ASN 63 H ASN 63 13.643 -12.856 -4.911 405 HA ASN 63 HA ASN 63 12.326 -14.417 -5.947 406 HB2 ASN 63 HB2 ASN 63 13.044 -13.586 -8.132 407 HB3 ASN 63 HB3 ASN 63 14.526 -14.519 -8.035 408 HD21 ASN 63 HD21 ASN 63 14.489 -16.653 -8.540 409 HD22 ASN 63 HD22 ASN 63 13.106 -17.457 -9.201 410 H LEU 64 H LEU 64 15.152 -14.830 -4.439 411 HA LEU 64 HA LEU 64 15.990 -16.477 -3.153 412 HB2 LEU 64 HB2 LEU 64 13.627 -18.092 -4.102 413 HB3 LEU 64 HB3 LEU 64 14.751 -18.605 -2.861 414 HG LEU 64 HG LEU 64 12.964 -16.184 -2.681 415 HD11 LEU 64 HD11 LEU 64 12.734 -18.892 -1.370 416 HD12 LEU 64 HD12 LEU 64 11.686 -18.259 -2.639 417 HD13 LEU 64 HD13 LEU 64 11.702 -17.498 -1.048 418 HD21 LEU 64 HD21 LEU 64 13.634 -16.212 -0.307 419 HD22 LEU 64 HD22 LEU 64 14.989 -15.902 -1.391 420 HD23 LEU 64 HD23 LEU 64 14.785 -17.498 -0.666 421 HA PRO 65 HA PRO 65 18.207 -18.413 -6.651 422 HB2 PRO 65 HB2 PRO 65 20.550 -17.570 -5.096 423 HB3 PRO 65 HB3 PRO 65 20.138 -17.187 -6.769 424 HG2 PRO 65 HG2 PRO 65 20.058 -15.323 -4.823 425 HG3 PRO 65 HG3 PRO 65 18.919 -15.317 -6.183 426 HD2 PRO 65 HD2 PRO 65 18.513 -16.305 -3.381 427 HD3 PRO 65 HD3 PRO 65 17.430 -15.330 -4.400 428 H SER 66 H SER 66 20.032 -20.066 -6.360 429 HA SER 66 HA SER 66 19.145 -21.838 -4.227 430 HB2 SER 66 HB2 SER 66 21.030 -22.375 -6.529 431 HB3 SER 66 HB3 SER 66 20.403 -23.583 -5.408 432 HG SER 66 HG SER 66 18.441 -22.062 -6.559 433 H ARG 67 H ARG 67 20.742 -23.019 -2.908 434 HA ARG 67 HA ARG 67 22.785 -21.230 -1.935 435 HB2 ARG 67 HB2 ARG 67 22.185 -24.074 -1.095 436 HB3 ARG 67 HB3 ARG 67 23.177 -22.921 -0.223 437 HG2 ARG 67 HG2 ARG 67 20.210 -22.724 -0.688 438 HG3 ARG 67 HG3 ARG 67 21.003 -23.178 0.818 439 HD2 ARG 67 HD2 ARG 67 20.543 -20.948 1.193 440 HD3 ARG 67 HD3 ARG 67 22.184 -20.868 0.552 441 HE ARG 67 HE ARG 67 19.981 -20.570 -1.332 442 HH11 ARG 67 HH11 ARG 67 22.478 -19.024 0.577 443 HH12 ARG 67 HH12 ARG 67 22.478 -17.566 -0.342 444 HH21 ARG 67 HH21 ARG 67 19.962 -18.623 -2.564 445 HH22 ARG 67 HH22 ARG 67 21.040 -17.332 -2.148 446 H GLY 68 H GLY 68 22.544 -23.850 -4.110 447 HA2 GLY 68 HA2 GLY 68 25.227 -23.569 -4.954 448 HA3 GLY 68 HA3 GLY 68 25.004 -25.046 -4.021 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 3.454 2.716 -16.887 2 H2 GLY 1 H2 GLY 1 3.278 2.518 -18.553 3 H3 GLY 1 H3 GLY 1 4.192 1.404 -17.658 4 HA2 GLY 1 HA2 GLY 1 2.057 0.460 -18.190 5 HA3 GLY 1 HA3 GLY 1 2.217 0.720 -16.459 6 H SER 2 H SER 2 -0.246 0.457 -17.794 7 HA SER 2 HA SER 2 -1.357 3.084 -18.205 8 HB2 SER 2 HB2 SER 2 -3.493 1.746 -18.493 9 HB3 SER 2 HB3 SER 2 -2.188 1.351 -19.613 10 HG SER 2 HG SER 2 -3.443 -0.372 -18.267 11 H ALA 3 H ALA 3 -0.405 3.218 -15.713 12 HA ALA 3 HA ALA 3 -2.819 3.211 -14.088 13 HB1 ALA 3 HB1 ALA 3 -1.675 1.114 -13.547 14 HB2 ALA 3 HB2 ALA 3 -1.658 2.229 -12.179 15 HB3 ALA 3 HB3 ALA 3 -0.208 2.014 -13.161 16 H LEU 4 H LEU 4 -2.868 4.776 -12.568 17 HA LEU 4 HA LEU 4 -1.111 7.019 -12.944 18 HB2 LEU 4 HB2 LEU 4 -2.486 8.245 -11.474 19 HB3 LEU 4 HB3 LEU 4 -3.561 7.197 -12.370 20 HG LEU 4 HG LEU 4 -2.593 6.494 -9.605 21 HD11 LEU 4 HD11 LEU 4 -4.697 7.420 -8.757 22 HD12 LEU 4 HD12 LEU 4 -5.081 8.027 -10.365 23 HD13 LEU 4 HD13 LEU 4 -3.692 8.671 -9.488 24 HD21 LEU 4 HD21 LEU 4 -4.985 5.633 -11.240 25 HD22 LEU 4 HD22 LEU 4 -4.646 5.134 -9.584 26 HD23 LEU 4 HD23 LEU 4 -3.555 4.663 -10.884 27 H ASP 5 H ASP 5 -1.270 4.378 -10.733 28 HA ASP 5 HA ASP 5 1.218 5.285 -9.552 29 HB2 ASP 5 HB2 ASP 5 0.517 4.693 -7.287 30 HB3 ASP 5 HB3 ASP 5 -0.531 5.948 -7.936 31 H PHE 6 H PHE 6 2.564 3.605 -8.913 32 HA PHE 6 HA PHE 6 1.745 0.962 -9.906 33 HB2 PHE 6 HB2 PHE 6 4.153 0.488 -10.137 34 HB3 PHE 6 HB3 PHE 6 3.692 1.912 -11.059 35 HD1 PHE 6 HD2 PHE 6 4.423 4.138 -10.353 36 HD2 PHE 6 HD1 PHE 6 5.622 0.644 -8.237 37 HE1 PHE 6 HE2 PHE 6 6.190 5.429 -9.226 38 HE2 PHE 6 HE1 PHE 6 7.388 1.930 -7.109 39 HZ PHE 6 HZ PHE 6 7.672 4.321 -7.604 40 H THR 7 H THR 7 2.442 2.740 -7.145 41 HA THR 7 HA THR 7 2.881 0.313 -5.586 42 HB THR 7 HB THR 7 4.808 1.542 -5.204 43 HG1 THR 7 HG1 THR 7 4.412 2.658 -3.106 44 HG21 THR 7 HG21 THR 7 4.939 3.940 -4.946 45 HG22 THR 7 HG22 THR 7 3.186 4.069 -4.986 46 HG23 THR 7 HG23 THR 7 4.062 3.566 -6.433 47 H SER 8 H SER 8 1.781 0.029 -3.700 48 HA SER 8 HA SER 8 -0.906 0.973 -3.759 49 HB2 SER 8 HB2 SER 8 0.464 -0.621 -1.589 50 HB3 SER 8 HB3 SER 8 -1.268 -0.531 -1.917 51 HG SER 8 HG SER 8 -0.768 -2.312 -2.985 52 H CYS 9 H CYS 9 1.970 2.086 -2.293 53 HA CYS 9 HA CYS 9 0.426 3.580 -0.311 54 HB2 CYS 9 HB2 CYS 9 3.314 2.809 -0.419 55 HB3 CYS 9 HB3 CYS 9 2.721 4.055 0.676 56 H ALA 10 H ALA 10 1.044 4.194 -3.299 57 HA ALA 10 HA ALA 10 2.528 6.590 -3.335 58 HB1 ALA 10 HB1 ALA 10 0.238 5.801 -5.143 59 HB2 ALA 10 HB2 ALA 10 1.921 5.347 -5.381 60 HB3 ALA 10 HB3 ALA 10 1.445 7.040 -5.482 61 H ARG 11 H ARG 11 -0.758 5.908 -2.482 62 HA ARG 11 HA ARG 11 -1.663 8.567 -2.612 63 HB2 ARG 11 HB2 ARG 11 -3.615 7.763 -1.181 64 HB3 ARG 11 HB3 ARG 11 -3.427 7.045 -2.768 65 HG2 ARG 11 HG2 ARG 11 -2.313 5.656 -0.373 66 HG3 ARG 11 HG3 ARG 11 -4.042 5.592 -0.696 67 HD2 ARG 11 HD2 ARG 11 -1.791 4.583 -2.437 68 HD3 ARG 11 HD3 ARG 11 -3.068 3.658 -1.668 69 HE ARG 11 HE ARG 11 -4.514 5.200 -3.251 70 HH11 ARG 11 HH11 ARG 11 -1.606 3.349 -3.923 71 HH12 ARG 11 HH12 ARG 11 -1.921 3.207 -5.619 72 HH21 ARG 11 HH21 ARG 11 -4.966 4.977 -5.485 73 HH22 ARG 11 HH22 ARG 11 -3.843 4.145 -6.511 74 H MET 12 H MET 12 0.485 7.165 -0.471 75 HA MET 12 HA MET 12 -0.139 8.331 1.985 76 HB2 MET 12 HB2 MET 12 2.144 8.099 2.613 77 HB3 MET 12 HB3 MET 12 1.794 6.751 1.540 78 HG2 MET 12 HG2 MET 12 3.053 7.634 -0.191 79 HG3 MET 12 HG3 MET 12 2.994 9.269 0.455 80 HE1 MET 12 HE1 MET 12 3.848 5.981 2.492 81 HE2 MET 12 HE2 MET 12 5.587 5.866 2.212 82 HE3 MET 12 HE3 MET 12 4.458 5.688 0.864 83 H ASN 13 H ASN 13 0.653 9.941 -0.977 84 HA ASN 13 HA ASN 13 1.217 12.376 0.558 85 HB2 ASN 13 HB2 ASN 13 2.512 13.241 -1.355 86 HB3 ASN 13 HB3 ASN 13 3.219 11.765 -0.716 87 HD21 ASN 13 HD21 ASN 13 3.355 9.993 -2.004 88 HD22 ASN 13 HD22 ASN 13 2.916 9.983 -3.675 89 H ASP 14 H ASP 14 -1.294 11.147 -0.284 90 HA ASP 14 HA ASP 14 -2.319 13.108 -2.228 91 HB2 ASP 14 HB2 ASP 14 -2.710 10.561 -2.511 92 HB3 ASP 14 HB3 ASP 14 -3.769 10.699 -1.128 93 H GLY 15 H GLY 15 -1.691 13.383 0.756 94 HA2 GLY 15 HA2 GLY 15 -2.724 15.002 2.169 95 HA3 GLY 15 HA3 GLY 15 -4.291 14.501 1.540 96 H ALA 16 H ALA 16 -4.107 14.656 4.218 97 HA ALA 16 HA ALA 16 -3.226 12.479 5.642 98 HB1 ALA 16 HB1 ALA 16 -5.754 14.043 6.142 99 HB2 ALA 16 HB2 ALA 16 -4.134 14.513 6.658 100 HB3 ALA 16 HB3 ALA 16 -4.883 13.061 7.321 101 H LEU 17 H LEU 17 -6.203 12.800 3.781 102 HA LEU 17 HA LEU 17 -7.404 10.382 4.634 103 HB2 LEU 17 HB2 LEU 17 -8.285 12.445 3.171 104 HB3 LEU 17 HB3 LEU 17 -7.821 11.387 1.858 105 HG LEU 17 HG LEU 17 -10.207 11.214 2.337 106 HD11 LEU 17 HD11 LEU 17 -10.386 8.794 2.581 107 HD12 LEU 17 HD12 LEU 17 -8.704 8.725 3.109 108 HD13 LEU 17 HD13 LEU 17 -9.094 9.246 1.469 109 HD21 LEU 17 HD21 LEU 17 -11.023 10.300 4.428 110 HD22 LEU 17 HD22 LEU 17 -10.116 11.786 4.713 111 HD23 LEU 17 HD23 LEU 17 -9.378 10.224 5.058 112 H GLY 18 H GLY 18 -5.266 11.250 1.973 113 HA2 GLY 18 HA2 GLY 18 -5.136 8.796 0.627 114 HA3 GLY 18 HA3 GLY 18 -3.883 10.023 0.651 115 H ALA 19 H ALA 19 -3.128 10.064 3.301 116 HA ALA 19 HA ALA 19 -1.363 7.937 3.494 117 HB1 ALA 19 HB1 ALA 19 -2.424 9.649 5.737 118 HB2 ALA 19 HB2 ALA 19 -1.098 10.084 4.660 119 HB3 ALA 19 HB3 ALA 19 -0.931 8.711 5.754 120 H LYS 20 H LYS 20 -4.553 8.357 4.926 121 HA LYS 20 HA LYS 20 -4.498 5.972 6.453 122 HB2 LYS 20 HB2 LYS 20 -6.437 8.038 5.845 123 HB3 LYS 20 HB3 LYS 20 -7.183 6.447 5.812 124 HG2 LYS 20 HG2 LYS 20 -7.390 7.396 8.017 125 HG3 LYS 20 HG3 LYS 20 -6.308 6.006 8.069 126 HD2 LYS 20 HD2 LYS 20 -5.289 7.675 9.396 127 HD3 LYS 20 HD3 LYS 20 -4.396 7.659 7.876 128 HE2 LYS 20 HE2 LYS 20 -4.783 9.938 8.494 129 HE3 LYS 20 HE3 LYS 20 -5.801 9.563 7.105 130 HZ1 LYS 20 HZ1 LYS 20 -7.673 9.266 8.624 131 HZ2 LYS 20 HZ2 LYS 20 -7.014 10.813 8.756 132 HZ3 LYS 20 HZ3 LYS 20 -6.682 9.655 9.938 133 H VAL 21 H VAL 21 -5.696 6.702 3.192 134 HA VAL 21 HA VAL 21 -6.677 4.137 2.615 135 HB VAL 21 HB VAL 21 -5.428 6.105 0.668 136 HG11 VAL 21 HG11 VAL 21 -6.863 4.984 -0.994 137 HG12 VAL 21 HG12 VAL 21 -7.349 3.820 0.243 138 HG13 VAL 21 HG13 VAL 21 -5.670 3.893 -0.285 139 HG21 VAL 21 HG21 VAL 21 -8.302 5.826 1.548 140 HG22 VAL 21 HG22 VAL 21 -7.711 6.891 0.271 141 HG23 VAL 21 HG23 VAL 21 -7.216 7.159 1.941 142 H ALA 22 H ALA 22 -3.516 5.599 2.169 143 HA ALA 22 HA ALA 22 -2.199 3.559 0.820 144 HB1 ALA 22 HB1 ALA 22 -1.303 5.845 1.195 145 HB2 ALA 22 HB2 ALA 22 -0.142 4.570 1.557 146 HB3 ALA 22 HB3 ALA 22 -0.975 5.399 2.868 147 H GLN 23 H GLN 23 -2.238 4.156 4.332 148 HA GLN 23 HA GLN 23 -0.696 1.905 4.979 149 HB2 GLN 23 HB2 GLN 23 -1.203 2.330 7.245 150 HB3 GLN 23 HB3 GLN 23 -1.210 3.899 6.458 151 HG2 GLN 23 HG2 GLN 23 -3.696 3.721 6.318 152 HG3 GLN 23 HG3 GLN 23 -3.566 2.268 7.315 153 HE21 GLN 23 HE21 GLN 23 -2.972 2.462 9.463 154 HE22 GLN 23 HE22 GLN 23 -2.986 3.975 10.297 155 H ALA 24 H ALA 24 -4.202 2.314 4.703 156 HA ALA 24 HA ALA 24 -4.917 -0.222 5.709 157 HB1 ALA 24 HB1 ALA 24 -6.396 1.530 3.747 158 HB2 ALA 24 HB2 ALA 24 -6.509 1.622 5.506 159 HB3 ALA 24 HB3 ALA 24 -7.085 0.186 4.658 160 H ALA 25 H ALA 25 -4.465 0.969 2.402 161 HA ALA 25 HA ALA 25 -4.990 -1.444 1.076 162 HB1 ALA 25 HB1 ALA 25 -4.916 0.724 -0.057 163 HB2 ALA 25 HB2 ALA 25 -3.835 -0.442 -0.823 164 HB3 ALA 25 HB3 ALA 25 -3.178 0.812 0.227 165 H CYS 26 H CYS 26 -2.082 -0.154 2.555 166 HA CYS 26 HA CYS 26 -0.331 -2.110 1.486 167 HB2 CYS 26 HB2 CYS 26 0.384 0.120 2.353 168 HB3 CYS 26 HB3 CYS 26 0.035 -0.447 3.982 169 H ILE 27 H ILE 27 -1.861 -1.716 4.692 170 HA ILE 27 HA ILE 27 -0.821 -3.995 5.907 171 HB ILE 27 HB ILE 27 -3.531 -2.719 6.338 172 HG12 ILE 27 HG12 ILE 27 -1.023 -2.410 7.997 173 HG13 ILE 27 HG13 ILE 27 -1.455 -1.301 6.708 174 HG21 ILE 27 HG21 ILE 27 -2.030 -4.710 8.040 175 HG22 ILE 27 HG22 ILE 27 -3.577 -4.960 7.229 176 HG23 ILE 27 HG23 ILE 27 -3.457 -3.817 8.568 177 HD11 ILE 27 HD11 ILE 27 -3.496 -0.711 7.886 178 HD12 ILE 27 HD12 ILE 27 -2.082 -0.456 8.909 179 HD13 ILE 27 HD13 ILE 27 -3.107 -1.871 9.155 180 H SER 28 H SER 28 -3.910 -3.642 4.156 181 HA SER 28 HA SER 28 -4.731 -6.299 4.412 182 HB2 SER 28 HB2 SER 28 -6.135 -5.776 2.342 183 HB3 SER 28 HB3 SER 28 -6.364 -4.717 3.733 184 HG SER 28 HG SER 28 -5.191 -3.139 2.736 185 H SER 29 H SER 29 -2.918 -4.725 1.789 186 HA SER 29 HA SER 29 -2.667 -6.946 0.117 187 HB2 SER 29 HB2 SER 29 -2.122 -4.639 -0.577 188 HB3 SER 29 HB3 SER 29 -0.718 -4.655 0.488 189 HG SER 29 HG SER 29 -0.880 -5.494 -2.010 190 H CYS 30 H CYS 30 -0.730 -5.870 2.859 191 HA CYS 30 HA CYS 30 1.354 -7.727 2.507 192 HB2 CYS 30 HB2 CYS 30 0.390 -6.168 4.889 193 HB3 CYS 30 HB3 CYS 30 1.820 -7.198 4.939 194 H LYS 31 H LYS 31 -1.520 -7.749 4.576 195 HA LYS 31 HA LYS 31 -1.119 -10.225 5.751 196 HB2 LYS 31 HB2 LYS 31 -3.704 -8.844 5.025 197 HB3 LYS 31 HB3 LYS 31 -3.576 -10.217 6.119 198 HG2 LYS 31 HG2 LYS 31 -2.532 -8.973 7.774 199 HG3 LYS 31 HG3 LYS 31 -1.949 -7.771 6.632 200 HD2 LYS 31 HD2 LYS 31 -3.701 -6.830 7.992 201 HD3 LYS 31 HD3 LYS 31 -4.236 -6.967 6.318 202 HE2 LYS 31 HE2 LYS 31 -6.004 -7.628 7.826 203 HE3 LYS 31 HE3 LYS 31 -5.454 -9.025 6.901 204 HZ1 LYS 31 HZ1 LYS 31 -4.195 -9.766 8.812 205 HZ2 LYS 31 HZ2 LYS 31 -5.800 -9.521 9.267 206 HZ3 LYS 31 HZ3 LYS 31 -4.625 -8.388 9.686 207 H PHE 32 H PHE 32 -2.730 -9.452 2.658 208 HA PHE 32 HA PHE 32 -3.532 -12.034 2.009 209 HB2 PHE 32 HB2 PHE 32 -2.916 -9.582 0.418 210 HB3 PHE 32 HB3 PHE 32 -3.236 -11.093 -0.410 211 HD1 PHE 32 HD1 PHE 32 -5.416 -12.349 0.624 212 HD2 PHE 32 HD2 PHE 32 -4.692 -8.157 0.644 213 HE1 PHE 32 HE1 PHE 32 -7.833 -11.937 0.811 214 HE2 PHE 32 HE2 PHE 32 -7.108 -7.737 0.837 215 HZ PHE 32 HZ PHE 32 -8.681 -9.629 0.922 216 H GLN 33 H GLN 33 -0.389 -10.495 1.654 217 HA GLN 33 HA GLN 33 0.590 -12.799 0.155 218 HB2 GLN 33 HB2 GLN 33 2.669 -11.494 -0.146 219 HB3 GLN 33 HB3 GLN 33 1.245 -10.654 -0.735 220 HG2 GLN 33 HG2 GLN 33 1.212 -9.370 1.378 221 HG3 GLN 33 HG3 GLN 33 2.746 -10.123 1.815 222 HE21 GLN 33 HE21 GLN 33 1.148 -7.848 -0.236 223 HE22 GLN 33 HE22 GLN 33 2.573 -7.109 -0.881 224 H ASN 34 H ASN 34 -0.116 -12.753 3.061 225 HA ASN 34 HA ASN 34 0.459 -14.119 4.803 226 HB2 ASN 34 HB2 ASN 34 1.471 -15.582 2.989 227 HB3 ASN 34 HB3 ASN 34 3.017 -14.820 3.343 228 HD21 ASN 34 HD21 ASN 34 3.938 -16.760 3.990 229 HD22 ASN 34 HD22 ASN 34 3.547 -17.510 5.498 230 H CYS 35 H CYS 35 1.217 -11.309 4.603 231 HA CYS 35 HA CYS 35 3.533 -11.319 6.383 232 HB2 CYS 35 HB2 CYS 35 2.313 -9.139 4.711 233 HB3 CYS 35 HB3 CYS 35 3.560 -8.842 5.916 234 H GLY 36 H GLY 36 3.353 -10.659 8.411 235 HA2 GLY 36 HA2 GLY 36 0.829 -10.699 9.664 236 HA3 GLY 36 HA3 GLY 36 2.335 -10.209 10.422 237 H THR 37 H THR 37 2.844 -8.007 8.643 238 HA THR 37 HA THR 37 0.564 -6.255 8.975 239 HB THR 37 HB THR 37 1.557 -6.106 11.182 240 HG1 THR 37 HG1 THR 37 0.857 -4.125 10.650 241 HG21 THR 37 HG21 THR 37 3.868 -5.326 11.517 242 HG22 THR 37 HG22 THR 37 4.126 -5.380 9.773 243 HG23 THR 37 HG23 THR 37 3.815 -6.870 10.663 244 H GLY 38 H GLY 38 1.044 -4.081 8.177 245 HA2 GLY 38 HA2 GLY 38 3.185 -3.955 6.199 246 HA3 GLY 38 HA3 GLY 38 1.532 -3.824 5.603 247 H HIS 39 H HIS 39 3.807 -1.885 5.641 248 HA HIS 39 HA HIS 39 2.201 0.342 6.501 249 HB2 HIS 39 HB2 HIS 39 3.803 1.370 7.957 250 HB3 HIS 39 HB3 HIS 39 3.531 -0.262 8.546 251 HD1 HIS 39 HD1 HIS 39 5.533 -1.845 8.571 252 HD2 HIS 39 HD2 HIS 39 6.348 1.843 6.839 253 HE1 HIS 39 HE1 HIS 39 8.031 -1.758 8.317 254 HE2 HIS 39 HE2 HIS 39 8.504 0.589 7.548 255 H CYS 40 H CYS 40 2.925 2.325 5.634 256 HA CYS 40 HA CYS 40 4.250 1.899 3.107 257 HB2 CYS 40 HB2 CYS 40 2.953 4.371 4.243 258 HB3 CYS 40 HB3 CYS 40 3.518 4.151 2.587 259 H GLU 41 H GLU 41 6.289 2.358 2.701 260 HA GLU 41 HA GLU 41 7.662 4.265 4.455 261 HB2 GLU 41 HB2 GLU 41 8.053 1.584 4.641 262 HB3 GLU 41 HB3 GLU 41 9.249 1.976 3.421 263 HG2 GLU 41 HG2 GLU 41 9.057 3.069 6.223 264 HG3 GLU 41 HG3 GLU 41 10.283 1.982 5.573 265 H ARG 42 H ARG 42 9.099 5.576 3.395 266 HA ARG 42 HA ARG 42 8.901 5.534 0.500 267 HB2 ARG 42 HB2 ARG 42 9.554 7.570 2.525 268 HB3 ARG 42 HB3 ARG 42 10.412 7.705 0.998 269 HG2 ARG 42 HG2 ARG 42 8.209 7.644 -0.163 270 HG3 ARG 42 HG3 ARG 42 7.440 7.720 1.424 271 HD2 ARG 42 HD2 ARG 42 7.681 9.920 0.263 272 HD3 ARG 42 HD3 ARG 42 8.403 9.851 1.873 273 HE ARG 42 HE ARG 42 10.397 9.190 0.066 274 HH11 ARG 42 HH11 ARG 42 8.340 11.969 0.697 275 HH12 ARG 42 HH12 ARG 42 9.546 13.126 0.248 276 HH21 ARG 42 HH21 ARG 42 11.999 10.736 -0.533 277 HH22 ARG 42 HH22 ARG 42 11.624 12.423 -0.469 278 H ARG 43 H ARG 43 10.283 4.454 -0.608 279 HA ARG 43 HA ARG 43 13.025 4.168 0.398 280 HB2 ARG 43 HB2 ARG 43 11.491 2.490 -1.600 281 HB3 ARG 43 HB3 ARG 43 13.168 2.228 -1.148 282 HG2 ARG 43 HG2 ARG 43 10.782 2.009 0.690 283 HG3 ARG 43 HG3 ARG 43 11.699 0.667 0.004 284 HD2 ARG 43 HD2 ARG 43 13.730 1.683 1.151 285 HD3 ARG 43 HD3 ARG 43 12.584 2.703 2.023 286 HE ARG 43 HE ARG 43 11.746 0.066 2.306 287 HH11 ARG 43 HH11 ARG 43 14.462 2.078 3.263 288 HH12 ARG 43 HH12 ARG 43 14.814 1.144 4.676 289 HH21 ARG 43 HH21 ARG 43 12.223 -1.165 4.181 290 HH22 ARG 43 HH22 ARG 43 13.548 -0.694 5.191 291 H GLY 44 H GLY 44 14.206 5.753 -0.427 292 HA2 GLY 44 HA2 GLY 44 15.229 7.141 -1.945 293 HA3 GLY 44 HA3 GLY 44 14.908 5.884 -3.131 294 H GLY 45 H GLY 45 12.905 8.195 -1.300 295 HA2 GLY 45 HA2 GLY 45 11.417 9.786 -2.021 296 HA3 GLY 45 HA3 GLY 45 12.088 9.616 -3.630 297 H ARG 46 H ARG 46 11.357 6.626 -3.045 298 HA ARG 46 HA ARG 46 8.758 6.916 -4.323 299 HB2 ARG 46 HB2 ARG 46 10.672 4.622 -4.197 300 HB3 ARG 46 HB3 ARG 46 9.060 4.494 -4.899 301 HG2 ARG 46 HG2 ARG 46 11.234 6.370 -5.789 302 HG3 ARG 46 HG3 ARG 46 10.742 4.884 -6.623 303 HD2 ARG 46 HD2 ARG 46 8.429 5.895 -6.768 304 HD3 ARG 46 HD3 ARG 46 9.137 7.397 -6.190 305 HE ARG 46 HE ARG 46 10.645 6.628 -8.363 306 HH11 ARG 46 HH11 ARG 46 7.304 7.486 -7.721 307 HH12 ARG 46 HH12 ARG 46 7.024 8.113 -9.307 308 HH21 ARG 46 HH21 ARG 46 10.282 7.464 -10.468 309 HH22 ARG 46 HH22 ARG 46 8.724 8.087 -10.881 310 HA PRO 47 HA PRO 47 6.903 5.692 -0.436 311 HB2 PRO 47 HB2 PRO 47 4.349 5.991 -1.331 312 HB3 PRO 47 HB3 PRO 47 5.341 7.341 -0.771 313 HG2 PRO 47 HG2 PRO 47 4.768 6.442 -3.565 314 HG3 PRO 47 HG3 PRO 47 4.822 8.088 -2.908 315 HD2 PRO 47 HD2 PRO 47 6.856 7.023 -4.311 316 HD3 PRO 47 HD3 PRO 47 7.118 8.178 -2.987 317 H THR 48 H THR 48 7.121 3.528 -0.188 318 HA THR 48 HA THR 48 5.671 1.803 -2.096 319 HB THR 48 HB THR 48 8.099 0.831 -0.615 320 HG1 THR 48 HG1 THR 48 8.270 2.899 -2.119 321 HG21 THR 48 HG21 THR 48 6.706 -0.791 -1.813 322 HG22 THR 48 HG22 THR 48 8.279 -0.629 -2.593 323 HG23 THR 48 HG23 THR 48 6.863 0.156 -3.291 324 H CYS 49 H CYS 49 4.752 -0.139 -1.244 325 HA CYS 49 HA CYS 49 4.070 0.023 1.564 326 HB2 CYS 49 HB2 CYS 49 2.240 -0.452 0.086 327 HB3 CYS 49 HB3 CYS 49 3.140 -1.737 -0.708 328 H VAL 50 H VAL 50 5.622 -0.737 2.857 329 HA VAL 50 HA VAL 50 6.982 -3.181 2.035 330 HB VAL 50 HB VAL 50 8.805 -2.601 3.532 331 HG11 VAL 50 HG11 VAL 50 7.980 -0.209 1.909 332 HG12 VAL 50 HG12 VAL 50 8.882 -1.609 1.324 333 HG13 VAL 50 HG13 VAL 50 9.601 -0.532 2.524 334 HG21 VAL 50 HG21 VAL 50 7.542 -1.612 5.344 335 HG22 VAL 50 HG22 VAL 50 7.143 -0.227 4.331 336 HG23 VAL 50 HG23 VAL 50 8.817 -0.514 4.812 337 H CYS 51 H CYS 51 6.554 -4.978 3.046 338 HA CYS 51 HA CYS 51 4.748 -4.865 5.318 339 HB2 CYS 51 HB2 CYS 51 5.579 -7.291 3.744 340 HB3 CYS 51 HB3 CYS 51 4.222 -7.138 4.843 341 H SER 52 H SER 52 5.029 -6.258 7.117 342 HA SER 52 HA SER 52 7.757 -7.193 7.586 343 HB2 SER 52 HB2 SER 52 6.151 -5.584 9.588 344 HB3 SER 52 HB3 SER 52 7.793 -6.194 9.796 345 HG SER 52 HG SER 52 7.751 -4.805 7.552 346 H ARG 53 H ARG 53 7.831 -8.734 9.445 347 HA ARG 53 HA ARG 53 7.134 -10.652 10.434 348 HB2 ARG 53 HB2 ARG 53 4.474 -9.206 10.403 349 HB3 ARG 53 HB3 ARG 53 4.715 -10.760 11.183 350 HG2 ARG 53 HG2 ARG 53 6.275 -8.282 11.897 351 HG3 ARG 53 HG3 ARG 53 4.780 -8.762 12.698 352 HD2 ARG 53 HD2 ARG 53 6.627 -9.525 14.024 353 HD3 ARG 53 HD3 ARG 53 5.864 -10.928 13.287 354 HE ARG 53 HE ARG 53 8.295 -9.713 12.153 355 HH11 ARG 53 HH11 ARG 53 6.552 -12.540 13.313 356 HH12 ARG 53 HH12 ARG 53 7.829 -13.638 12.922 357 HH21 ARG 53 HH21 ARG 53 9.968 -11.167 11.627 358 HH22 ARG 53 HH22 ARG 53 9.788 -12.860 11.957 359 H CYS 54 H CYS 54 7.409 -10.630 7.678 360 HA CYS 54 HA CYS 54 5.167 -12.090 6.543 361 HB2 CYS 54 HB2 CYS 54 7.834 -11.352 5.320 362 HB3 CYS 54 HB3 CYS 54 6.434 -11.984 4.465 363 H GLY 55 H GLY 55 6.314 -13.935 4.904 364 HA2 GLY 55 HA2 GLY 55 7.098 -15.978 6.754 365 HA3 GLY 55 HA3 GLY 55 6.917 -16.137 5.009 366 H ASN 56 H ASN 56 8.999 -14.107 7.069 367 HA ASN 56 HA ASN 56 11.311 -15.085 5.544 368 HB2 ASN 56 HB2 ASN 56 12.361 -12.895 5.912 369 HB3 ASN 56 HB3 ASN 56 10.838 -12.723 5.053 370 HD21 ASN 56 HD21 ASN 56 12.344 -10.790 6.612 371 HD22 ASN 56 HD22 ASN 56 11.274 -10.196 7.839 372 H GLY 57 H GLY 57 9.799 -15.166 8.470 373 HA2 GLY 57 HA2 GLY 57 10.567 -16.349 10.332 374 HA3 GLY 57 HA3 GLY 57 12.215 -16.159 9.748 375 H GLY 58 H GLY 58 12.930 -13.772 9.701 376 HA2 GLY 58 HA2 GLY 58 12.037 -11.708 11.130 377 HA3 GLY 58 HA3 GLY 58 12.540 -12.801 12.413 378 H GLY 59 H GLY 59 13.914 -10.838 12.820 379 HA2 GLY 59 HA2 GLY 59 16.069 -10.030 12.971 380 HA3 GLY 59 HA3 GLY 59 16.591 -11.422 12.028 381 H GLU 60 H GLU 60 14.889 -8.314 11.656 382 HA GLU 60 HA GLU 60 16.354 -7.864 9.165 383 HB2 GLU 60 HB2 GLU 60 14.183 -7.040 8.189 384 HB3 GLU 60 HB3 GLU 60 14.264 -8.782 8.436 385 HG2 GLU 60 HG2 GLU 60 12.881 -8.676 10.347 386 HG3 GLU 60 HG3 GLU 60 13.029 -6.926 10.446 387 H TRP 61 H TRP 61 16.749 -5.729 8.754 388 HA TRP 61 HA TRP 61 15.697 -3.736 10.645 389 HB2 TRP 61 HB2 TRP 61 18.443 -3.903 9.436 390 HB3 TRP 61 HB3 TRP 61 17.826 -2.506 10.305 391 HD1 TRP 61 HD1 TRP 61 20.034 -5.154 10.881 392 HE1 TRP 61 HE1 TRP 61 20.168 -5.851 13.367 393 HE3 TRP 61 HE3 TRP 61 15.775 -2.918 12.566 394 HZ2 TRP 61 HZ2 TRP 61 18.654 -5.488 15.718 395 HZ3 TRP 61 HZ3 TRP 61 15.182 -3.136 14.940 396 HH2 TRP 61 HH2 TRP 61 16.591 -4.394 16.481 397 HA PRO 62 HA PRO 62 14.176 -2.322 6.641 398 HB2 PRO 62 HB2 PRO 62 12.662 -0.299 7.696 399 HB3 PRO 62 HB3 PRO 62 12.113 -1.976 7.599 400 HG2 PRO 62 HG2 PRO 62 13.301 -0.505 9.921 401 HG3 PRO 62 HG3 PRO 62 11.922 -1.614 9.890 402 HD2 PRO 62 HD2 PRO 62 14.333 -2.392 10.733 403 HD3 PRO 62 HD3 PRO 62 13.272 -3.491 9.827 404 H ASN 63 H ASN 63 15.445 -0.325 9.255 405 HA ASN 63 HA ASN 63 16.250 1.764 7.412 406 HB2 ASN 63 HB2 ASN 63 16.943 2.967 9.438 407 HB3 ASN 63 HB3 ASN 63 15.283 2.393 9.572 408 HD21 ASN 63 HD21 ASN 63 18.471 2.215 10.835 409 HD22 ASN 63 HD22 ASN 63 18.109 1.166 12.162 410 H LEU 64 H LEU 64 17.577 -1.061 8.828 411 HA LEU 64 HA LEU 64 19.664 -1.928 9.069 412 HB2 LEU 64 HB2 LEU 64 20.077 -0.203 6.634 413 HB3 LEU 64 HB3 LEU 64 21.276 -1.340 7.219 414 HG LEU 64 HG LEU 64 18.489 -2.175 6.472 415 HD11 LEU 64 HD11 LEU 64 19.439 -2.913 4.331 416 HD12 LEU 64 HD12 LEU 64 20.972 -2.152 4.759 417 HD13 LEU 64 HD13 LEU 64 19.531 -1.163 4.520 418 HD21 LEU 64 HD21 LEU 64 19.539 -4.385 6.281 419 HD22 LEU 64 HD22 LEU 64 19.717 -3.715 7.903 420 HD23 LEU 64 HD23 LEU 64 21.080 -3.690 6.784 421 HA PRO 65 HA PRO 65 21.355 1.599 11.431 422 HB2 PRO 65 HB2 PRO 65 21.817 0.224 13.707 423 HB3 PRO 65 HB3 PRO 65 20.218 0.855 13.294 424 HG2 PRO 65 HG2 PRO 65 21.287 -1.923 13.013 425 HG3 PRO 65 HG3 PRO 65 19.690 -1.388 13.566 426 HD2 PRO 65 HD2 PRO 65 20.187 -2.304 11.044 427 HD3 PRO 65 HD3 PRO 65 18.891 -1.159 11.428 428 H SER 66 H SER 66 23.031 0.883 9.581 429 HA SER 66 HA SER 66 25.250 -0.611 10.457 430 HB2 SER 66 HB2 SER 66 26.391 0.512 8.484 431 HB3 SER 66 HB3 SER 66 24.922 -0.388 8.102 432 HG SER 66 HG SER 66 24.663 1.538 7.102 433 H ARG 67 H ARG 67 24.427 2.731 10.584 434 HA ARG 67 HA ARG 67 26.964 3.347 11.867 435 HB2 ARG 67 HB2 ARG 67 24.793 5.017 10.677 436 HB3 ARG 67 HB3 ARG 67 25.805 5.724 11.928 437 HG2 ARG 67 HG2 ARG 67 26.674 6.265 9.740 438 HG3 ARG 67 HG3 ARG 67 27.798 5.212 10.596 439 HD2 ARG 67 HD2 ARG 67 26.487 3.317 9.344 440 HD3 ARG 67 HD3 ARG 67 26.058 4.629 8.246 441 HE ARG 67 HE ARG 67 28.869 4.277 8.894 442 HH11 ARG 67 HH11 ARG 67 26.263 3.804 6.586 443 HH12 ARG 67 HH12 ARG 67 27.321 3.524 5.251 444 HH21 ARG 67 HH21 ARG 67 30.278 3.878 7.116 445 HH22 ARG 67 HH22 ARG 67 29.617 3.541 5.557 446 H GLY 68 H GLY 68 27.198 3.698 13.966 447 HA2 GLY 68 HA2 GLY 68 26.591 4.068 16.181 448 HA3 GLY 68 HA3 GLY 68 24.915 4.214 15.667 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 1.831 2.639 -16.710 2 H2 GLY 1 H2 GLY 1 2.122 3.498 -18.135 3 H3 GLY 1 H3 GLY 1 2.331 1.818 -18.103 4 HA2 GLY 1 HA2 GLY 1 0.287 2.376 -19.218 5 HA3 GLY 1 HA3 GLY 1 -0.023 1.505 -17.723 6 H SER 2 H SER 2 -2.146 2.691 -18.416 7 HA SER 2 HA SER 2 -2.270 5.456 -17.637 8 HB2 SER 2 HB2 SER 2 -3.727 4.557 -19.428 9 HB3 SER 2 HB3 SER 2 -4.509 3.504 -18.251 10 HG SER 2 HG SER 2 -5.583 5.157 -17.446 11 H ALA 3 H ALA 3 -1.332 5.038 -15.497 12 HA ALA 3 HA ALA 3 -3.450 4.679 -13.558 13 HB1 ALA 3 HB1 ALA 3 -0.971 2.973 -13.446 14 HB2 ALA 3 HB2 ALA 3 -2.585 2.407 -13.869 15 HB3 ALA 3 HB3 ALA 3 -2.262 3.020 -12.246 16 H LEU 4 H LEU 4 -3.163 5.785 -11.830 17 HA LEU 4 HA LEU 4 -0.964 7.682 -11.652 18 HB2 LEU 4 HB2 LEU 4 -2.143 8.693 -9.810 19 HB3 LEU 4 HB3 LEU 4 -3.250 8.426 -11.140 20 HG LEU 4 HG LEU 4 -3.117 6.529 -8.813 21 HD11 LEU 4 HD11 LEU 4 -4.943 7.777 -7.784 22 HD12 LEU 4 HD12 LEU 4 -4.808 9.015 -9.032 23 HD13 LEU 4 HD13 LEU 4 -3.483 8.759 -7.896 24 HD21 LEU 4 HD21 LEU 4 -5.136 7.174 -10.948 25 HD22 LEU 4 HD22 LEU 4 -5.557 6.301 -9.481 26 HD23 LEU 4 HD23 LEU 4 -4.374 5.620 -10.592 27 H ASP 5 H ASP 5 -2.173 4.911 -10.012 28 HA ASP 5 HA ASP 5 -0.199 5.020 -7.913 29 HB2 ASP 5 HB2 ASP 5 -2.402 3.123 -8.620 30 HB3 ASP 5 HB3 ASP 5 -1.336 2.879 -7.233 31 H PHE 6 H PHE 6 1.796 4.224 -8.299 32 HA PHE 6 HA PHE 6 2.032 1.960 -10.135 33 HB2 PHE 6 HB2 PHE 6 4.406 2.387 -10.202 34 HB3 PHE 6 HB3 PHE 6 3.584 3.910 -10.505 35 HD1 PHE 6 HD2 PHE 6 3.262 5.413 -8.328 36 HD2 PHE 6 HD1 PHE 6 6.154 2.319 -8.753 37 HE1 PHE 6 HE2 PHE 6 4.621 6.440 -6.551 38 HE2 PHE 6 HE1 PHE 6 7.517 3.340 -6.982 39 HZ PHE 6 HZ PHE 6 6.760 5.399 -5.880 40 H THR 7 H THR 7 2.225 3.037 -6.921 41 HA THR 7 HA THR 7 2.655 0.311 -5.981 42 HB THR 7 HB THR 7 3.441 1.440 -3.836 43 HG1 THR 7 HG1 THR 7 4.337 3.618 -4.319 44 HG21 THR 7 HG21 THR 7 5.027 0.346 -5.338 45 HG22 THR 7 HG22 THR 7 5.732 1.819 -4.671 46 HG23 THR 7 HG23 THR 7 5.119 1.804 -6.324 47 H SER 8 H SER 8 1.538 0.038 -3.764 48 HA SER 8 HA SER 8 -1.153 1.012 -3.972 49 HB2 SER 8 HB2 SER 8 0.081 -0.535 -1.686 50 HB3 SER 8 HB3 SER 8 -1.624 -0.450 -2.134 51 HG SER 8 HG SER 8 -0.926 -1.415 -4.185 52 H CYS 9 H CYS 9 1.693 2.097 -2.453 53 HA CYS 9 HA CYS 9 0.203 3.618 -0.454 54 HB2 CYS 9 HB2 CYS 9 3.099 2.859 -0.623 55 HB3 CYS 9 HB3 CYS 9 2.495 4.053 0.520 56 H ALA 10 H ALA 10 0.814 4.244 -3.452 57 HA ALA 10 HA ALA 10 2.360 6.591 -3.504 58 HB1 ALA 10 HB1 ALA 10 1.658 5.371 -5.523 59 HB2 ALA 10 HB2 ALA 10 1.242 7.084 -5.621 60 HB3 ALA 10 HB3 ALA 10 -0.004 5.891 -5.251 61 H ARG 11 H ARG 11 -0.907 6.007 -2.538 62 HA ARG 11 HA ARG 11 -1.827 8.680 -2.586 63 HB2 ARG 11 HB2 ARG 11 -3.502 7.666 -0.804 64 HB3 ARG 11 HB3 ARG 11 -3.642 7.325 -2.519 65 HG2 ARG 11 HG2 ARG 11 -1.909 5.430 -1.183 66 HG3 ARG 11 HG3 ARG 11 -3.522 5.484 -0.469 67 HD2 ARG 11 HD2 ARG 11 -2.957 5.181 -3.412 68 HD3 ARG 11 HD3 ARG 11 -3.311 3.843 -2.319 69 HE ARG 11 HE ARG 11 -5.453 5.252 -1.884 70 HH11 ARG 11 HH11 ARG 11 -3.850 4.916 -4.988 71 HH12 ARG 11 HH12 ARG 11 -5.313 5.016 -5.889 72 HH21 ARG 11 HH21 ARG 11 -7.400 5.408 -3.093 73 HH22 ARG 11 HH22 ARG 11 -7.345 5.280 -4.814 74 H MET 12 H MET 12 0.455 7.200 -0.542 75 HA MET 12 HA MET 12 -0.054 8.326 1.927 76 HB2 MET 12 HB2 MET 12 2.255 8.063 2.453 77 HB3 MET 12 HB3 MET 12 1.823 6.733 1.389 78 HG2 MET 12 HG2 MET 12 3.009 7.608 -0.401 79 HG3 MET 12 HG3 MET 12 3.036 9.232 0.275 80 HE1 MET 12 HE1 MET 12 3.862 5.858 2.142 81 HE2 MET 12 HE2 MET 12 5.601 5.732 1.872 82 HE3 MET 12 HE3 MET 12 4.484 5.598 0.512 83 H ASN 13 H ASN 13 0.718 9.999 -1.023 84 HA ASN 13 HA ASN 13 1.340 12.365 0.594 85 HB2 ASN 13 HB2 ASN 13 2.496 13.304 -1.406 86 HB3 ASN 13 HB3 ASN 13 3.274 11.871 -0.757 87 HD21 ASN 13 HD21 ASN 13 3.453 10.090 -2.002 88 HD22 ASN 13 HD22 ASN 13 2.947 10.014 -3.657 89 H ASP 14 H ASP 14 -1.250 11.241 -0.132 90 HA ASP 14 HA ASP 14 -2.331 13.359 -1.874 91 HB2 ASP 14 HB2 ASP 14 -2.858 10.831 -2.293 92 HB3 ASP 14 HB3 ASP 14 -3.835 10.947 -0.844 93 H GLY 15 H GLY 15 -1.435 13.556 0.980 94 HA2 GLY 15 HA2 GLY 15 -2.307 14.987 2.629 95 HA3 GLY 15 HA3 GLY 15 -3.932 14.600 2.078 96 H ALA 16 H ALA 16 -3.639 14.549 4.695 97 HA ALA 16 HA ALA 16 -2.662 12.287 5.955 98 HB1 ALA 16 HB1 ALA 16 -5.108 13.867 6.728 99 HB2 ALA 16 HB2 ALA 16 -3.445 14.298 7.116 100 HB3 ALA 16 HB3 ALA 16 -4.154 12.829 7.787 101 H LEU 17 H LEU 17 -5.734 12.732 4.301 102 HA LEU 17 HA LEU 17 -6.916 10.305 5.190 103 HB2 LEU 17 HB2 LEU 17 -7.921 12.449 3.969 104 HB3 LEU 17 HB3 LEU 17 -7.603 11.493 2.540 105 HG LEU 17 HG LEU 17 -9.937 11.314 3.285 106 HD11 LEU 17 HD11 LEU 17 -8.391 8.749 3.565 107 HD12 LEU 17 HD12 LEU 17 -8.978 9.458 2.060 108 HD13 LEU 17 HD13 LEU 17 -10.125 8.880 3.270 109 HD21 LEU 17 HD21 LEU 17 -8.805 9.996 5.743 110 HD22 LEU 17 HD22 LEU 17 -10.511 10.179 5.341 111 HD23 LEU 17 HD23 LEU 17 -9.525 11.601 5.680 112 H GLY 18 H GLY 18 -5.068 11.262 2.334 113 HA2 GLY 18 HA2 GLY 18 -5.108 8.860 0.881 114 HA3 GLY 18 HA3 GLY 18 -3.833 10.061 0.846 115 H ALA 19 H ALA 19 -3.046 9.934 3.540 116 HA ALA 19 HA ALA 19 -1.147 7.917 3.501 117 HB1 ALA 19 HB1 ALA 19 -0.701 8.489 5.804 118 HB2 ALA 19 HB2 ALA 19 -2.253 9.318 5.916 119 HB3 ALA 19 HB3 ALA 19 -0.988 9.952 4.865 120 H LYS 20 H LYS 20 -4.236 8.048 5.111 121 HA LYS 20 HA LYS 20 -4.020 5.534 6.360 122 HB2 LYS 20 HB2 LYS 20 -6.423 7.188 5.690 123 HB3 LYS 20 HB3 LYS 20 -6.413 5.808 6.792 124 HG2 LYS 20 HG2 LYS 20 -5.044 6.902 8.321 125 HG3 LYS 20 HG3 LYS 20 -4.598 8.145 7.153 126 HD2 LYS 20 HD2 LYS 20 -7.231 8.497 7.184 127 HD3 LYS 20 HD3 LYS 20 -6.995 7.878 8.825 128 HE2 LYS 20 HE2 LYS 20 -5.192 9.516 9.122 129 HE3 LYS 20 HE3 LYS 20 -5.580 10.169 7.531 130 HZ1 LYS 20 HZ1 LYS 20 -7.858 10.594 8.371 131 HZ2 LYS 20 HZ2 LYS 20 -6.685 11.495 9.176 132 HZ3 LYS 20 HZ3 LYS 20 -7.356 10.130 9.917 133 H VAL 21 H VAL 21 -5.552 6.589 3.332 134 HA VAL 21 HA VAL 21 -6.647 4.128 2.613 135 HB VAL 21 HB VAL 21 -5.429 6.154 0.708 136 HG11 VAL 21 HG11 VAL 21 -6.000 4.053 -0.345 137 HG12 VAL 21 HG12 VAL 21 -7.141 5.303 -0.847 138 HG13 VAL 21 HG13 VAL 21 -7.615 4.106 0.360 139 HG21 VAL 21 HG21 VAL 21 -8.184 6.094 1.941 140 HG22 VAL 21 HG22 VAL 21 -7.685 7.159 0.628 141 HG23 VAL 21 HG23 VAL 21 -6.933 7.306 2.217 142 H ALA 22 H ALA 22 -3.499 5.531 1.983 143 HA ALA 22 HA ALA 22 -2.307 3.480 0.544 144 HB1 ALA 22 HB1 ALA 22 -1.280 5.666 0.811 145 HB2 ALA 22 HB2 ALA 22 -0.162 4.401 1.326 146 HB3 ALA 22 HB3 ALA 22 -1.029 5.356 2.526 147 H GLN 23 H GLN 23 -2.199 4.018 4.062 148 HA GLN 23 HA GLN 23 -0.686 1.712 4.616 149 HB2 GLN 23 HB2 GLN 23 -1.097 2.100 6.919 150 HB3 GLN 23 HB3 GLN 23 -1.012 3.676 6.151 151 HG2 GLN 23 HG2 GLN 23 -3.463 3.777 6.139 152 HG3 GLN 23 HG3 GLN 23 -3.498 2.224 6.975 153 HE21 GLN 23 HE21 GLN 23 -2.924 2.122 9.118 154 HE22 GLN 23 HE22 GLN 23 -2.770 3.528 10.111 155 H ALA 24 H ALA 24 -4.177 2.235 4.481 156 HA ALA 24 HA ALA 24 -4.963 -0.261 5.515 157 HB1 ALA 24 HB1 ALA 24 -7.118 0.179 4.440 158 HB2 ALA 24 HB2 ALA 24 -6.391 1.493 3.515 159 HB3 ALA 24 HB3 ALA 24 -6.513 1.612 5.269 160 H ALA 25 H ALA 25 -4.494 0.840 2.181 161 HA ALA 25 HA ALA 25 -5.084 -1.615 0.941 162 HB1 ALA 25 HB1 ALA 25 -3.987 -0.676 -1.028 163 HB2 ALA 25 HB2 ALA 25 -3.291 0.607 -0.041 164 HB3 ALA 25 HB3 ALA 25 -5.037 0.520 -0.268 165 H CYS 26 H CYS 26 -2.157 -0.309 2.368 166 HA CYS 26 HA CYS 26 -0.386 -2.225 1.251 167 HB2 CYS 26 HB2 CYS 26 0.304 0.021 2.084 168 HB3 CYS 26 HB3 CYS 26 -0.036 -0.519 3.723 169 H ILE 27 H ILE 27 -1.771 -1.815 4.525 170 HA ILE 27 HA ILE 27 -0.666 -4.067 5.712 171 HB ILE 27 HB ILE 27 -3.381 -2.844 6.240 172 HG12 ILE 27 HG12 ILE 27 -0.750 -2.330 7.649 173 HG13 ILE 27 HG13 ILE 27 -1.439 -1.282 6.421 174 HG21 ILE 27 HG21 ILE 27 -3.284 -5.030 7.221 175 HG22 ILE 27 HG22 ILE 27 -3.135 -3.830 8.505 176 HG23 ILE 27 HG23 ILE 27 -1.707 -4.694 7.933 177 HD11 ILE 27 HD11 ILE 27 -3.364 -0.869 7.838 178 HD12 ILE 27 HD12 ILE 27 -1.860 -0.441 8.655 179 HD13 ILE 27 HD13 ILE 27 -2.695 -1.938 9.072 180 H SER 28 H SER 28 -3.792 -3.744 4.082 181 HA SER 28 HA SER 28 -4.657 -6.376 4.453 182 HB2 SER 28 HB2 SER 28 -5.359 -4.681 2.061 183 HB3 SER 28 HB3 SER 28 -6.324 -5.941 2.839 184 HG SER 28 HG SER 28 -5.739 -3.335 3.761 185 H SER 29 H SER 29 -2.887 -4.939 1.707 186 HA SER 29 HA SER 29 -2.775 -7.278 0.145 187 HB2 SER 29 HB2 SER 29 -0.869 -4.927 0.182 188 HB3 SER 29 HB3 SER 29 -0.976 -6.141 -1.094 189 HG SER 29 HG SER 29 -2.685 -4.032 -0.473 190 H CYS 30 H CYS 30 -0.704 -6.076 2.737 191 HA CYS 30 HA CYS 30 1.392 -7.904 2.332 192 HB2 CYS 30 HB2 CYS 30 0.487 -6.290 4.698 193 HB3 CYS 30 HB3 CYS 30 1.920 -7.317 4.740 194 H LYS 31 H LYS 31 -1.384 -7.921 4.528 195 HA LYS 31 HA LYS 31 -0.965 -10.352 5.740 196 HB2 LYS 31 HB2 LYS 31 -3.579 -9.083 4.919 197 HB3 LYS 31 HB3 LYS 31 -3.413 -10.395 6.077 198 HG2 LYS 31 HG2 LYS 31 -2.493 -9.027 7.707 199 HG3 LYS 31 HG3 LYS 31 -1.869 -7.894 6.519 200 HD2 LYS 31 HD2 LYS 31 -3.642 -6.816 7.682 201 HD3 LYS 31 HD3 LYS 31 -4.207 -7.173 6.055 202 HE2 LYS 31 HE2 LYS 31 -4.842 -8.817 8.510 203 HE3 LYS 31 HE3 LYS 31 -5.877 -7.561 7.832 204 HZ1 LYS 31 HZ1 LYS 31 -5.068 -10.061 6.453 205 HZ2 LYS 31 HZ2 LYS 31 -6.060 -8.853 5.803 206 HZ3 LYS 31 HZ3 LYS 31 -6.577 -9.751 7.132 207 H PHE 32 H PHE 32 -2.500 -9.713 2.599 208 HA PHE 32 HA PHE 32 -3.341 -12.308 2.042 209 HB2 PHE 32 HB2 PHE 32 -2.684 -9.936 0.352 210 HB3 PHE 32 HB3 PHE 32 -3.093 -11.468 -0.395 211 HD1 PHE 32 HD2 PHE 32 -5.250 -12.555 1.052 212 HD2 PHE 32 HD1 PHE 32 -4.423 -8.454 0.285 213 HE1 PHE 32 HE2 PHE 32 -7.635 -12.026 1.328 214 HE2 PHE 32 HE1 PHE 32 -6.805 -7.918 0.559 215 HZ PHE 32 HZ PHE 32 -8.413 -9.705 1.081 216 H GLN 33 H GLN 33 -0.178 -10.845 1.687 217 HA GLN 33 HA GLN 33 0.763 -13.201 0.229 218 HB2 GLN 33 HB2 GLN 33 2.817 -11.905 -0.176 219 HB3 GLN 33 HB3 GLN 33 1.376 -11.084 -0.756 220 HG2 GLN 33 HG2 GLN 33 1.392 -9.719 1.295 221 HG3 GLN 33 HG3 GLN 33 2.924 -10.474 1.746 222 HE21 GLN 33 HE21 GLN 33 1.331 -8.256 -0.355 223 HE22 GLN 33 HE22 GLN 33 2.755 -7.557 -1.043 224 H ASN 34 H ASN 34 0.113 -13.017 3.144 225 HA ASN 34 HA ASN 34 0.739 -14.232 4.958 226 HB2 ASN 34 HB2 ASN 34 1.810 -15.799 3.257 227 HB3 ASN 34 HB3 ASN 34 3.325 -14.957 3.572 228 HD21 ASN 34 HD21 ASN 34 4.323 -16.766 4.396 229 HD22 ASN 34 HD22 ASN 34 3.930 -17.421 5.949 230 H CYS 35 H CYS 35 1.213 -11.479 4.826 231 HA CYS 35 HA CYS 35 3.576 -11.323 6.525 232 HB2 CYS 35 HB2 CYS 35 2.370 -9.269 4.695 233 HB3 CYS 35 HB3 CYS 35 3.538 -8.856 5.945 234 H GLY 36 H GLY 36 3.362 -10.550 8.504 235 HA2 GLY 36 HA2 GLY 36 0.888 -10.647 9.800 236 HA3 GLY 36 HA3 GLY 36 2.337 -9.918 10.469 237 H THR 37 H THR 37 2.675 -7.880 8.619 238 HA THR 37 HA THR 37 0.229 -6.372 8.479 239 HB THR 37 HB THR 37 0.908 -6.021 10.845 240 HG1 THR 37 HG1 THR 37 0.051 -4.124 10.569 241 HG21 THR 37 HG21 THR 37 3.353 -4.707 9.649 242 HG22 THR 37 HG22 THR 37 3.339 -6.215 10.563 243 HG23 THR 37 HG23 THR 37 2.910 -4.699 11.356 244 H GLY 38 H GLY 38 0.978 -3.985 7.964 245 HA2 GLY 38 HA2 GLY 38 3.250 -3.958 6.150 246 HA3 GLY 38 HA3 GLY 38 1.671 -3.753 5.395 247 H HIS 39 H HIS 39 3.903 -1.908 5.522 248 HA HIS 39 HA HIS 39 2.341 0.332 6.464 249 HB2 HIS 39 HB2 HIS 39 3.954 1.274 7.914 250 HB3 HIS 39 HB3 HIS 39 3.848 -0.410 8.387 251 HD1 HIS 39 HD1 HIS 39 6.005 -1.796 8.256 252 HD2 HIS 39 HD2 HIS 39 6.389 2.006 6.600 253 HE1 HIS 39 HE1 HIS 39 8.460 -1.453 7.907 254 HE2 HIS 39 HE2 HIS 39 8.674 0.946 7.134 255 H CYS 40 H CYS 40 2.840 2.240 5.447 256 HA CYS 40 HA CYS 40 4.165 1.839 2.934 257 HB2 CYS 40 HB2 CYS 40 2.819 4.284 4.070 258 HB3 CYS 40 HB3 CYS 40 3.372 4.080 2.412 259 H GLU 41 H GLU 41 6.156 2.348 2.502 260 HA GLU 41 HA GLU 41 7.534 4.195 4.313 261 HB2 GLU 41 HB2 GLU 41 8.011 1.709 4.675 262 HB3 GLU 41 HB3 GLU 41 8.793 1.741 3.103 263 HG2 GLU 41 HG2 GLU 41 10.512 1.971 4.645 264 HG3 GLU 41 HG3 GLU 41 10.234 3.604 4.036 265 H ARG 42 H ARG 42 8.874 5.618 3.287 266 HA ARG 42 HA ARG 42 8.782 5.571 0.388 267 HB2 ARG 42 HB2 ARG 42 9.197 7.653 2.420 268 HB3 ARG 42 HB3 ARG 42 10.173 7.814 0.970 269 HG2 ARG 42 HG2 ARG 42 8.102 7.652 -0.380 270 HG3 ARG 42 HG3 ARG 42 7.178 7.661 1.125 271 HD2 ARG 42 HD2 ARG 42 7.335 9.882 0.063 272 HD3 ARG 42 HD3 ARG 42 8.027 9.839 1.683 273 HE ARG 42 HE ARG 42 10.150 9.367 0.061 274 HH11 ARG 42 HH11 ARG 42 7.689 11.856 0.129 275 HH12 ARG 42 HH12 ARG 42 8.742 13.123 -0.394 276 HH21 ARG 42 HH21 ARG 42 11.582 11.057 -0.624 277 HH22 ARG 42 HH22 ARG 42 10.970 12.663 -0.832 278 H ARG 43 H ARG 43 10.261 4.585 -0.642 279 HA ARG 43 HA ARG 43 12.928 4.330 0.563 280 HB2 ARG 43 HB2 ARG 43 11.567 2.655 -1.556 281 HB3 ARG 43 HB3 ARG 43 13.225 2.427 -1.028 282 HG2 ARG 43 HG2 ARG 43 10.741 2.082 0.651 283 HG3 ARG 43 HG3 ARG 43 11.783 0.800 0.032 284 HD2 ARG 43 HD2 ARG 43 13.661 1.843 1.348 285 HD3 ARG 43 HD3 ARG 43 12.453 2.892 2.090 286 HE ARG 43 HE ARG 43 11.872 0.078 2.295 287 HH11 ARG 43 HH11 ARG 43 13.498 2.810 3.799 288 HH12 ARG 43 HH12 ARG 43 13.523 2.092 5.370 289 HH21 ARG 43 HH21 ARG 43 11.912 -0.867 4.381 290 HH22 ARG 43 HH22 ARG 43 12.600 0.002 5.710 291 H GLY 44 H GLY 44 14.139 5.954 -0.128 292 HA2 GLY 44 HA2 GLY 44 15.210 7.427 -1.537 293 HA3 GLY 44 HA3 GLY 44 15.048 6.171 -2.757 294 H GLY 45 H GLY 45 12.750 8.317 -1.077 295 HA2 GLY 45 HA2 GLY 45 11.296 9.884 -1.926 296 HA3 GLY 45 HA3 GLY 45 12.066 9.705 -3.491 297 H ARG 46 H ARG 46 11.427 6.703 -3.004 298 HA ARG 46 HA ARG 46 8.940 6.842 -4.505 299 HB2 ARG 46 HB2 ARG 46 10.703 4.508 -3.838 300 HB3 ARG 46 HB3 ARG 46 9.310 4.451 -4.909 301 HG2 ARG 46 HG2 ARG 46 11.743 6.152 -5.343 302 HG3 ARG 46 HG3 ARG 46 11.477 4.571 -6.094 303 HD2 ARG 46 HD2 ARG 46 9.338 5.532 -7.036 304 HD3 ARG 46 HD3 ARG 46 9.898 7.106 -6.472 305 HE ARG 46 HE ARG 46 11.578 5.517 -8.276 306 HH11 ARG 46 HH11 ARG 46 9.680 8.406 -7.677 307 HH12 ARG 46 HH12 ARG 46 10.228 9.228 -9.089 308 HH21 ARG 46 HH21 ARG 46 12.295 6.597 -10.169 309 HH22 ARG 46 HH22 ARG 46 11.725 8.191 -10.517 310 HA PRO 47 HA PRO 47 6.709 5.800 -0.717 311 HB2 PRO 47 HB2 PRO 47 4.246 6.080 -1.823 312 HB3 PRO 47 HB3 PRO 47 5.201 7.447 -1.236 313 HG2 PRO 47 HG2 PRO 47 4.846 6.450 -4.035 314 HG3 PRO 47 HG3 PRO 47 4.851 8.119 -3.434 315 HD2 PRO 47 HD2 PRO 47 6.997 6.999 -4.625 316 HD3 PRO 47 HD3 PRO 47 7.146 8.207 -3.334 317 H THR 48 H THR 48 6.838 3.654 -0.352 318 HA THR 48 HA THR 48 5.550 1.872 -2.307 319 HB THR 48 HB THR 48 8.070 1.126 -0.822 320 HG1 THR 48 HG1 THR 48 8.281 3.050 -2.251 321 HG21 THR 48 HG21 THR 48 6.815 0.108 -3.385 322 HG22 THR 48 HG22 THR 48 6.754 -0.705 -1.821 323 HG23 THR 48 HG23 THR 48 8.297 -0.503 -2.649 324 H CYS 49 H CYS 49 4.739 -0.104 -1.446 325 HA CYS 49 HA CYS 49 4.026 0.026 1.360 326 HB2 CYS 49 HB2 CYS 49 2.210 -0.475 -0.136 327 HB3 CYS 49 HB3 CYS 49 3.142 -1.735 -0.934 328 H VAL 50 H VAL 50 5.485 -0.810 2.714 329 HA VAL 50 HA VAL 50 6.846 -3.239 1.847 330 HB VAL 50 HB VAL 50 8.721 -2.695 3.309 331 HG11 VAL 50 HG11 VAL 50 8.806 -1.816 1.055 332 HG12 VAL 50 HG12 VAL 50 9.571 -0.692 2.179 333 HG13 VAL 50 HG13 VAL 50 7.952 -0.361 1.568 334 HG21 VAL 50 HG21 VAL 50 8.846 -0.562 4.494 335 HG22 VAL 50 HG22 VAL 50 7.518 -1.562 5.085 336 HG23 VAL 50 HG23 VAL 50 7.187 -0.203 4.012 337 H CYS 51 H CYS 51 6.475 -5.013 2.940 338 HA CYS 51 HA CYS 51 4.551 -4.873 5.080 339 HB2 CYS 51 HB2 CYS 51 5.701 -7.317 3.756 340 HB3 CYS 51 HB3 CYS 51 4.270 -7.220 4.766 341 H SER 52 H SER 52 4.749 -5.865 7.063 342 HA SER 52 HA SER 52 7.503 -6.431 7.908 343 HB2 SER 52 HB2 SER 52 5.389 -5.065 9.590 344 HB3 SER 52 HB3 SER 52 7.091 -5.290 9.989 345 HG SER 52 HG SER 52 7.380 -4.025 7.887 346 H ARG 53 H ARG 53 7.702 -7.982 9.596 347 HA ARG 53 HA ARG 53 7.249 -9.930 10.673 348 HB2 ARG 53 HB2 ARG 53 4.397 -8.916 10.708 349 HB3 ARG 53 HB3 ARG 53 5.042 -10.204 11.712 350 HG2 ARG 53 HG2 ARG 53 5.996 -7.346 11.804 351 HG3 ARG 53 HG3 ARG 53 4.770 -8.019 12.874 352 HD2 ARG 53 HD2 ARG 53 6.792 -8.100 14.085 353 HD3 ARG 53 HD3 ARG 53 6.500 -9.748 13.540 354 HE ARG 53 HE ARG 53 8.165 -8.305 11.724 355 HH11 ARG 53 HH11 ARG 53 8.194 -10.004 14.783 356 HH12 ARG 53 HH12 ARG 53 9.865 -10.431 14.684 357 HH21 ARG 53 HH21 ARG 53 10.387 -8.861 11.580 358 HH22 ARG 53 HH22 ARG 53 11.122 -9.778 12.848 359 H CYS 54 H CYS 54 7.536 -10.244 8.075 360 HA CYS 54 HA CYS 54 5.271 -11.702 6.974 361 HB2 CYS 54 HB2 CYS 54 7.960 -11.038 5.780 362 HB3 CYS 54 HB3 CYS 54 6.659 -11.861 4.928 363 H GLY 55 H GLY 55 5.498 -13.909 6.091 364 HA2 GLY 55 HA2 GLY 55 7.393 -15.470 7.699 365 HA3 GLY 55 HA3 GLY 55 5.836 -16.030 7.078 366 H ASN 56 H ASN 56 7.972 -14.059 5.267 367 HA ASN 56 HA ASN 56 8.186 -16.164 3.237 368 HB2 ASN 56 HB2 ASN 56 8.666 -13.185 2.943 369 HB3 ASN 56 HB3 ASN 56 8.588 -14.369 1.645 370 HD21 ASN 56 HD21 ASN 56 7.009 -11.902 2.433 371 HD22 ASN 56 HD22 ASN 56 5.354 -12.427 2.340 372 H GLY 57 H GLY 57 9.902 -17.151 4.537 373 HA2 GLY 57 HA2 GLY 57 12.320 -15.642 4.943 374 HA3 GLY 57 HA3 GLY 57 12.052 -17.327 5.352 375 H GLY 58 H GLY 58 13.787 -15.336 3.454 376 HA2 GLY 58 HA2 GLY 58 15.521 -16.321 2.100 377 HA3 GLY 58 HA3 GLY 58 14.363 -17.543 1.593 378 H GLY 59 H GLY 59 12.382 -16.583 0.472 379 HA2 GLY 59 HA2 GLY 59 13.339 -14.503 -1.388 380 HA3 GLY 59 HA3 GLY 59 12.378 -15.879 -1.902 381 H GLU 60 H GLU 60 12.077 -12.784 -1.752 382 HA GLU 60 HA GLU 60 9.234 -12.891 -1.322 383 HB2 GLU 60 HB2 GLU 60 10.076 -12.475 0.952 384 HB3 GLU 60 HB3 GLU 60 10.914 -11.048 0.356 385 HG2 GLU 60 HG2 GLU 60 8.746 -10.074 -0.269 386 HG3 GLU 60 HG3 GLU 60 7.944 -11.481 0.428 387 H TRP 61 H TRP 61 8.183 -11.317 -2.336 388 HA TRP 61 HA TRP 61 9.478 -8.995 -3.398 389 HB2 TRP 61 HB2 TRP 61 8.789 -9.563 -5.806 390 HB3 TRP 61 HB3 TRP 61 10.220 -10.355 -5.175 391 HD1 TRP 61 HD1 TRP 61 6.738 -11.055 -6.481 392 HE1 TRP 61 HE1 TRP 61 6.417 -13.591 -6.770 393 HE3 TRP 61 HE3 TRP 61 11.000 -12.687 -4.176 394 HZ2 TRP 61 HZ2 TRP 61 7.787 -15.966 -6.116 395 HZ3 TRP 61 HZ3 TRP 61 11.419 -15.107 -4.058 396 HH2 TRP 61 HH2 TRP 61 9.846 -16.710 -5.008 397 HA PRO 62 HA PRO 62 5.070 -8.282 -2.492 398 HB2 PRO 62 HB2 PRO 62 5.388 -5.909 -1.261 399 HB3 PRO 62 HB3 PRO 62 5.696 -7.444 -0.441 400 HG2 PRO 62 HG2 PRO 62 7.634 -5.498 -1.615 401 HG3 PRO 62 HG3 PRO 62 7.762 -6.448 -0.125 402 HD2 PRO 62 HD2 PRO 62 8.979 -7.101 -2.519 403 HD3 PRO 62 HD3 PRO 62 8.619 -8.255 -1.224 404 H ASN 63 H ASN 63 7.354 -5.868 -3.782 405 HA ASN 63 HA ASN 63 5.270 -4.334 -5.035 406 HB2 ASN 63 HB2 ASN 63 7.216 -3.171 -4.191 407 HB3 ASN 63 HB3 ASN 63 8.292 -4.162 -5.163 408 HD21 ASN 63 HD21 ASN 63 8.636 -3.640 -7.279 409 HD22 ASN 63 HD22 ASN 63 8.008 -2.213 -8.026 410 H LEU 64 H LEU 64 7.133 -7.033 -5.858 411 HA LEU 64 HA LEU 64 7.228 -8.387 -7.685 412 HB2 LEU 64 HB2 LEU 64 5.074 -6.627 -8.875 413 HB3 LEU 64 HB3 LEU 64 5.532 -8.223 -9.428 414 HG LEU 64 HG LEU 64 4.202 -7.575 -6.795 415 HD11 LEU 64 HD11 LEU 64 2.706 -7.332 -8.695 416 HD12 LEU 64 HD12 LEU 64 2.285 -8.754 -7.740 417 HD13 LEU 64 HD13 LEU 64 3.149 -8.941 -9.265 418 HD21 LEU 64 HD21 LEU 64 5.659 -9.464 -6.527 419 HD22 LEU 64 HD22 LEU 64 5.033 -10.211 -7.997 420 HD23 LEU 64 HD23 LEU 64 3.990 -10.033 -6.586 421 HA PRO 65 HA PRO 65 10.113 -5.518 -9.756 422 HB2 PRO 65 HB2 PRO 65 11.642 -8.006 -10.144 423 HB3 PRO 65 HB3 PRO 65 12.141 -6.505 -9.361 424 HG2 PRO 65 HG2 PRO 65 11.668 -8.745 -7.950 425 HG3 PRO 65 HG3 PRO 65 11.297 -7.136 -7.306 426 HD2 PRO 65 HD2 PRO 65 9.451 -9.176 -8.490 427 HD3 PRO 65 HD3 PRO 65 9.214 -8.121 -7.082 428 H SER 66 H SER 66 8.550 -8.328 -10.674 429 HA SER 66 HA SER 66 8.344 -7.559 -13.415 430 HB2 SER 66 HB2 SER 66 9.288 -9.771 -14.264 431 HB3 SER 66 HB3 SER 66 10.472 -8.595 -13.695 432 HG SER 66 HG SER 66 9.425 -10.727 -12.130 433 H ARG 67 H ARG 67 6.711 -8.752 -14.523 434 HA ARG 67 HA ARG 67 5.039 -10.298 -12.682 435 HB2 ARG 67 HB2 ARG 67 3.103 -9.588 -13.961 436 HB3 ARG 67 HB3 ARG 67 4.023 -8.184 -13.456 437 HG2 ARG 67 HG2 ARG 67 3.588 -7.580 -15.604 438 HG3 ARG 67 HG3 ARG 67 5.083 -8.476 -15.878 439 HD2 ARG 67 HD2 ARG 67 3.333 -9.096 -17.490 440 HD3 ARG 67 HD3 ARG 67 3.802 -10.461 -16.474 441 HE ARG 67 HE ARG 67 1.552 -8.991 -15.465 442 HH11 ARG 67 HH11 ARG 67 2.520 -11.553 -17.654 443 HH12 ARG 67 HH12 ARG 67 0.994 -12.360 -17.591 444 HH21 ARG 67 HH21 ARG 67 -0.468 -10.067 -15.359 445 HH22 ARG 67 HH22 ARG 67 -0.726 -11.512 -16.268 446 H GLY 68 H GLY 68 4.089 -12.210 -13.378 447 HA2 GLY 68 HA2 GLY 68 4.723 -13.189 -16.038 448 HA3 GLY 68 HA3 GLY 68 5.418 -14.076 -14.685 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 6.439 4.093 -15.220 2 H2 GLY 1 H2 GLY 1 5.343 5.181 -14.528 3 H3 GLY 1 H3 GLY 1 6.241 5.640 -15.886 4 HA2 GLY 1 HA2 GLY 1 5.116 3.985 -17.227 5 HA3 GLY 1 HA3 GLY 1 4.192 3.501 -15.814 6 H SER 2 H SER 2 2.182 4.035 -16.559 7 HA SER 2 HA SER 2 1.694 6.898 -17.017 8 HB2 SER 2 HB2 SER 2 1.550 5.627 -19.148 9 HB3 SER 2 HB3 SER 2 0.323 4.589 -18.429 10 HG SER 2 HG SER 2 -0.851 6.630 -18.049 11 H ALA 3 H ALA 3 1.573 5.578 -14.540 12 HA ALA 3 HA ALA 3 -1.283 5.829 -13.965 13 HB1 ALA 3 HB1 ALA 3 -0.800 3.440 -14.085 14 HB2 ALA 3 HB2 ALA 3 -1.156 3.923 -12.426 15 HB3 ALA 3 HB3 ALA 3 0.511 3.636 -12.924 16 H LEU 4 H LEU 4 -1.697 6.870 -12.001 17 HA LEU 4 HA LEU 4 0.517 8.259 -10.860 18 HB2 LEU 4 HB2 LEU 4 -1.097 9.384 -9.467 19 HB3 LEU 4 HB3 LEU 4 -1.694 9.317 -11.107 20 HG LEU 4 HG LEU 4 -2.642 7.360 -9.027 21 HD11 LEU 4 HD11 LEU 4 -3.777 10.083 -9.629 22 HD12 LEU 4 HD12 LEU 4 -2.993 9.592 -8.128 23 HD13 LEU 4 HD13 LEU 4 -4.523 8.856 -8.607 24 HD21 LEU 4 HD21 LEU 4 -3.775 8.405 -11.624 25 HD22 LEU 4 HD22 LEU 4 -4.682 7.423 -10.479 26 HD23 LEU 4 HD23 LEU 4 -3.260 6.755 -11.268 27 H ASP 5 H ASP 5 -1.765 5.827 -9.735 28 HA ASP 5 HA ASP 5 -0.162 5.392 -7.359 29 HB2 ASP 5 HB2 ASP 5 -2.759 4.218 -8.310 30 HB3 ASP 5 HB3 ASP 5 -1.942 3.692 -6.835 31 H PHE 6 H PHE 6 1.675 4.432 -8.044 32 HA PHE 6 HA PHE 6 1.457 2.048 -9.718 33 HB2 PHE 6 HB2 PHE 6 3.885 2.181 -9.945 34 HB3 PHE 6 HB3 PHE 6 3.181 3.748 -10.317 35 HD1 PHE 6 HD2 PHE 6 3.119 5.448 -8.295 36 HD2 PHE 6 HD1 PHE 6 5.687 2.059 -8.527 37 HE1 PHE 6 HE2 PHE 6 4.628 6.483 -6.655 38 HE2 PHE 6 HE1 PHE 6 7.200 3.094 -6.889 39 HZ PHE 6 HZ PHE 6 6.671 5.306 -5.950 40 H THR 7 H THR 7 1.741 3.079 -6.556 41 HA THR 7 HA THR 7 2.333 0.365 -5.641 42 HB THR 7 HB THR 7 3.162 1.565 -3.522 43 HG1 THR 7 HG1 THR 7 3.999 3.688 -4.010 44 HG21 THR 7 HG21 THR 7 4.732 1.797 -6.088 45 HG22 THR 7 HG22 THR 7 4.651 0.373 -5.048 46 HG23 THR 7 HG23 THR 7 5.414 1.853 -4.462 47 H SER 8 H SER 8 1.285 -0.174 -3.593 48 HA SER 8 HA SER 8 -1.403 0.673 -3.452 49 HB2 SER 8 HB2 SER 8 0.203 -0.771 -1.325 50 HB3 SER 8 HB3 SER 8 -1.551 -0.770 -1.507 51 HG SER 8 HG SER 8 -0.863 -2.639 -2.439 52 H CYS 9 H CYS 9 1.526 1.894 -2.148 53 HA CYS 9 HA CYS 9 0.094 3.472 -0.151 54 HB2 CYS 9 HB2 CYS 9 2.980 2.736 -0.441 55 HB3 CYS 9 HB3 CYS 9 2.432 3.988 0.670 56 H ALA 10 H ALA 10 0.684 3.952 -3.239 57 HA ALA 10 HA ALA 10 2.144 6.338 -3.393 58 HB1 ALA 10 HB1 ALA 10 1.514 5.002 -5.353 59 HB2 ALA 10 HB2 ALA 10 1.047 6.695 -5.540 60 HB3 ALA 10 HB3 ALA 10 -0.169 5.483 -5.132 61 H ARG 11 H ARG 11 -1.166 5.733 -2.499 62 HA ARG 11 HA ARG 11 -2.093 8.373 -2.659 63 HB2 ARG 11 HB2 ARG 11 -3.834 7.516 -0.911 64 HB3 ARG 11 HB3 ARG 11 -3.870 6.928 -2.562 65 HG2 ARG 11 HG2 ARG 11 -2.284 5.360 -0.623 66 HG3 ARG 11 HG3 ARG 11 -4.038 5.331 -0.438 67 HD2 ARG 11 HD2 ARG 11 -2.532 4.677 -2.974 68 HD3 ARG 11 HD3 ARG 11 -3.210 3.497 -1.855 69 HE ARG 11 HE ARG 11 -5.296 5.153 -2.577 70 HH11 ARG 11 HH11 ARG 11 -3.082 3.005 -4.265 71 HH12 ARG 11 HH12 ARG 11 -4.221 2.612 -5.506 72 HH21 ARG 11 HH21 ARG 11 -6.792 4.619 -4.214 73 HH22 ARG 11 HH22 ARG 11 -6.327 3.524 -5.476 74 H MET 12 H MET 12 0.194 7.090 -0.536 75 HA MET 12 HA MET 12 -0.355 8.388 1.869 76 HB2 MET 12 HB2 MET 12 1.945 8.175 2.440 77 HB3 MET 12 HB3 MET 12 1.554 6.776 1.453 78 HG2 MET 12 HG2 MET 12 2.756 7.551 -0.363 79 HG3 MET 12 HG3 MET 12 2.732 9.220 0.197 80 HE1 MET 12 HE1 MET 12 4.274 5.667 0.665 81 HE2 MET 12 HE2 MET 12 3.637 5.980 2.283 82 HE3 MET 12 HE3 MET 12 5.380 5.895 2.022 83 H ASN 13 H ASN 13 0.369 9.833 -1.201 84 HA ASN 13 HA ASN 13 0.988 12.338 0.193 85 HB2 ASN 13 HB2 ASN 13 2.171 13.113 -1.824 86 HB3 ASN 13 HB3 ASN 13 2.905 11.655 -1.177 87 HD21 ASN 13 HD21 ASN 13 2.897 9.807 -2.391 88 HD22 ASN 13 HD22 ASN 13 2.366 9.748 -4.035 89 H ASP 14 H ASP 14 -1.583 11.096 -0.430 90 HA ASP 14 HA ASP 14 -2.736 12.987 -2.370 91 HB2 ASP 14 HB2 ASP 14 -3.213 10.458 -2.502 92 HB3 ASP 14 HB3 ASP 14 -4.123 10.661 -1.015 93 H GLY 15 H GLY 15 -1.801 13.596 0.392 94 HA2 GLY 15 HA2 GLY 15 -2.692 15.242 1.822 95 HA3 GLY 15 HA3 GLY 15 -4.310 14.657 1.444 96 H ALA 16 H ALA 16 -3.689 15.017 4.075 97 HA ALA 16 HA ALA 16 -2.578 12.986 5.493 98 HB1 ALA 16 HB1 ALA 16 -5.078 14.498 6.230 99 HB2 ALA 16 HB2 ALA 16 -3.425 15.069 6.461 100 HB3 ALA 16 HB3 ALA 16 -4.000 13.655 7.343 101 H LEU 17 H LEU 17 -5.788 13.015 4.035 102 HA LEU 17 HA LEU 17 -6.731 10.664 5.302 103 HB2 LEU 17 HB2 LEU 17 -7.938 12.564 3.885 104 HB3 LEU 17 HB3 LEU 17 -7.663 11.438 2.575 105 HG LEU 17 HG LEU 17 -9.926 11.265 3.542 106 HD11 LEU 17 HD11 LEU 17 -8.958 9.321 2.453 107 HD12 LEU 17 HD12 LEU 17 -9.993 8.845 3.800 108 HD13 LEU 17 HD13 LEU 17 -8.238 8.812 3.980 109 HD21 LEU 17 HD21 LEU 17 -9.319 11.846 5.848 110 HD22 LEU 17 HD22 LEU 17 -8.529 10.279 6.022 111 HD23 LEU 17 HD23 LEU 17 -10.269 10.365 5.754 112 H GLY 18 H GLY 18 -4.895 11.310 2.389 113 HA2 GLY 18 HA2 GLY 18 -5.038 8.827 1.090 114 HA3 GLY 18 HA3 GLY 18 -3.713 9.970 0.987 115 H ALA 19 H ALA 19 -2.937 9.969 3.689 116 HA ALA 19 HA ALA 19 -1.132 7.849 3.773 117 HB1 ALA 19 HB1 ALA 19 -0.847 9.947 5.019 118 HB2 ALA 19 HB2 ALA 19 -0.658 8.532 6.056 119 HB3 ALA 19 HB3 ALA 19 -2.153 9.466 6.103 120 H LYS 20 H LYS 20 -4.318 8.171 5.259 121 HA LYS 20 HA LYS 20 -4.153 5.725 6.711 122 HB2 LYS 20 HB2 LYS 20 -6.222 7.760 6.223 123 HB3 LYS 20 HB3 LYS 20 -6.839 6.133 6.457 124 HG2 LYS 20 HG2 LYS 20 -6.803 7.318 8.562 125 HG3 LYS 20 HG3 LYS 20 -5.642 5.992 8.597 126 HD2 LYS 20 HD2 LYS 20 -4.625 7.913 9.612 127 HD3 LYS 20 HD3 LYS 20 -3.850 7.641 8.049 128 HE2 LYS 20 HE2 LYS 20 -5.237 9.384 7.053 129 HE3 LYS 20 HE3 LYS 20 -6.042 9.637 8.601 130 HZ1 LYS 20 HZ1 LYS 20 -3.928 10.327 9.541 131 HZ2 LYS 20 HZ2 LYS 20 -4.330 11.283 8.206 132 HZ3 LYS 20 HZ3 LYS 20 -3.152 10.083 8.058 133 H VAL 21 H VAL 21 -5.574 6.632 3.585 134 HA VAL 21 HA VAL 21 -6.661 4.117 2.970 135 HB VAL 21 HB VAL 21 -5.475 6.093 0.998 136 HG11 VAL 21 HG11 VAL 21 -7.609 3.988 0.675 137 HG12 VAL 21 HG12 VAL 21 -5.972 3.930 0.022 138 HG13 VAL 21 HG13 VAL 21 -7.114 5.142 -0.564 139 HG21 VAL 21 HG21 VAL 21 -8.256 6.006 2.164 140 HG22 VAL 21 HG22 VAL 21 -7.740 7.041 0.832 141 HG23 VAL 21 HG23 VAL 21 -7.041 7.255 2.437 142 H ALA 22 H ALA 22 -3.538 5.558 2.301 143 HA ALA 22 HA ALA 22 -2.336 3.527 0.857 144 HB1 ALA 22 HB1 ALA 22 -1.030 5.410 2.814 145 HB2 ALA 22 HB2 ALA 22 -1.374 5.761 1.122 146 HB3 ALA 22 HB3 ALA 22 -0.209 4.506 1.544 147 H GLN 23 H GLN 23 -2.236 4.057 4.365 148 HA GLN 23 HA GLN 23 -0.600 1.809 4.874 149 HB2 GLN 23 HB2 GLN 23 -0.892 2.195 7.169 150 HB3 GLN 23 HB3 GLN 23 -1.007 3.778 6.427 151 HG2 GLN 23 HG2 GLN 23 -3.441 3.670 6.582 152 HG3 GLN 23 HG3 GLN 23 -3.298 2.091 7.359 153 HE21 GLN 23 HE21 GLN 23 -2.496 1.965 9.456 154 HE22 GLN 23 HE22 GLN 23 -2.400 3.342 10.491 155 H ALA 24 H ALA 24 -4.101 2.215 4.778 156 HA ALA 24 HA ALA 24 -4.771 -0.334 5.791 157 HB1 ALA 24 HB1 ALA 24 -6.390 1.499 5.640 158 HB2 ALA 24 HB2 ALA 24 -6.971 0.066 4.793 159 HB3 ALA 24 HB3 ALA 24 -6.316 1.426 3.880 160 H ALA 25 H ALA 25 -4.395 0.906 2.499 161 HA ALA 25 HA ALA 25 -4.917 -1.515 1.151 162 HB1 ALA 25 HB1 ALA 25 -3.218 0.814 0.255 163 HB2 ALA 25 HB2 ALA 25 -4.962 0.671 0.036 164 HB3 ALA 25 HB3 ALA 25 -3.874 -0.450 -0.784 165 H CYS 26 H CYS 26 -2.046 -0.145 2.580 166 HA CYS 26 HA CYS 26 -0.186 -1.954 1.460 167 HB2 CYS 26 HB2 CYS 26 0.421 0.220 2.516 168 HB3 CYS 26 HB3 CYS 26 0.010 -0.464 4.084 169 H ILE 27 H ILE 27 -1.895 -1.871 4.563 170 HA ILE 27 HA ILE 27 -0.789 -4.163 5.697 171 HB ILE 27 HB ILE 27 -3.570 -3.029 6.061 172 HG12 ILE 27 HG12 ILE 27 -1.164 -2.714 7.858 173 HG13 ILE 27 HG13 ILE 27 -1.535 -1.581 6.566 174 HG21 ILE 27 HG21 ILE 27 -3.600 -4.260 8.199 175 HG22 ILE 27 HG22 ILE 27 -2.059 -5.005 7.782 176 HG23 ILE 27 HG23 ILE 27 -3.494 -5.357 6.821 177 HD11 ILE 27 HD11 ILE 27 -2.307 -0.754 8.687 178 HD12 ILE 27 HD12 ILE 27 -3.276 -2.209 8.937 179 HD13 ILE 27 HD13 ILE 27 -3.676 -1.091 7.630 180 H SER 28 H SER 28 -3.757 -3.841 3.714 181 HA SER 28 HA SER 28 -4.421 -6.562 3.767 182 HB2 SER 28 HB2 SER 28 -5.718 -6.022 1.661 183 HB3 SER 28 HB3 SER 28 -6.083 -5.005 3.053 184 HG SER 28 HG SER 28 -5.454 -4.152 0.719 185 H SER 29 H SER 29 -2.483 -4.702 1.436 186 HA SER 29 HA SER 29 -1.941 -6.765 -0.374 187 HB2 SER 29 HB2 SER 29 -0.143 -4.441 0.366 188 HB3 SER 29 HB3 SER 29 -0.034 -5.407 -1.105 189 HG SER 29 HG SER 29 -2.024 -3.565 -0.314 190 H CYS 30 H CYS 30 -0.398 -5.879 2.640 191 HA CYS 30 HA CYS 30 1.800 -7.645 2.382 192 HB2 CYS 30 HB2 CYS 30 0.536 -6.282 4.741 193 HB3 CYS 30 HB3 CYS 30 2.006 -7.251 4.860 194 H LYS 31 H LYS 31 -1.259 -7.844 4.110 195 HA LYS 31 HA LYS 31 -0.869 -10.390 5.168 196 HB2 LYS 31 HB2 LYS 31 -3.436 -8.980 4.452 197 HB3 LYS 31 HB3 LYS 31 -3.302 -10.378 5.518 198 HG2 LYS 31 HG2 LYS 31 -2.158 -9.147 7.179 199 HG3 LYS 31 HG3 LYS 31 -1.771 -7.858 6.051 200 HD2 LYS 31 HD2 LYS 31 -3.519 -7.203 7.628 201 HD3 LYS 31 HD3 LYS 31 -4.070 -7.187 5.948 202 HE2 LYS 31 HE2 LYS 31 -5.270 -9.177 6.230 203 HE3 LYS 31 HE3 LYS 31 -4.494 -9.520 7.777 204 HZ1 LYS 31 HZ1 LYS 31 -6.240 -7.166 7.355 205 HZ2 LYS 31 HZ2 LYS 31 -5.713 -7.841 8.826 206 HZ3 LYS 31 HZ3 LYS 31 -6.832 -8.661 7.869 207 H PHE 32 H PHE 32 -2.253 -9.402 2.010 208 HA PHE 32 HA PHE 32 -3.045 -11.877 1.099 209 HB2 PHE 32 HB2 PHE 32 -1.951 -9.450 -0.288 210 HB3 PHE 32 HB3 PHE 32 -2.389 -10.884 -1.189 211 HD1 PHE 32 HD2 PHE 32 -4.857 -11.725 0.211 212 HD2 PHE 32 HD1 PHE 32 -3.497 -7.848 -0.899 213 HE1 PHE 32 HE2 PHE 32 -7.180 -10.933 0.131 214 HE2 PHE 32 HE1 PHE 32 -5.820 -7.052 -0.980 215 HZ PHE 32 HZ PHE 32 -7.666 -8.595 -0.466 216 H GLN 33 H GLN 33 0.187 -10.485 1.178 217 HA GLN 33 HA GLN 33 1.273 -12.786 -0.255 218 HB2 GLN 33 HB2 GLN 33 3.396 -11.538 -0.267 219 HB3 GLN 33 HB3 GLN 33 2.074 -10.599 -0.946 220 HG2 GLN 33 HG2 GLN 33 1.857 -9.451 1.238 221 HG3 GLN 33 HG3 GLN 33 3.303 -10.301 1.781 222 HE21 GLN 33 HE21 GLN 33 2.028 -7.831 -0.253 223 HE22 GLN 33 HE22 GLN 33 3.538 -7.097 -0.671 224 H ASN 34 H ASN 34 0.258 -12.650 2.631 225 HA ASN 34 HA ASN 34 0.620 -13.861 4.508 226 HB2 ASN 34 HB2 ASN 34 1.519 -15.599 2.916 227 HB3 ASN 34 HB3 ASN 34 3.128 -14.958 3.221 228 HD21 ASN 34 HD21 ASN 34 3.890 -16.849 4.135 229 HD22 ASN 34 HD22 ASN 34 3.373 -17.406 5.686 230 H CYS 35 H CYS 35 1.304 -11.299 4.579 231 HA CYS 35 HA CYS 35 3.615 -11.348 6.361 232 HB2 CYS 35 HB2 CYS 35 2.716 -9.137 4.515 233 HB3 CYS 35 HB3 CYS 35 3.919 -8.913 5.776 234 H GLY 36 H GLY 36 3.308 -10.644 8.327 235 HA2 GLY 36 HA2 GLY 36 0.690 -10.617 9.347 236 HA3 GLY 36 HA3 GLY 36 2.142 -10.215 10.241 237 H THR 37 H THR 37 2.774 -7.960 8.431 238 HA THR 37 HA THR 37 0.506 -6.219 8.725 239 HB THR 37 HB THR 37 1.533 -6.241 10.997 240 HG1 THR 37 HG1 THR 37 0.483 -4.400 10.678 241 HG21 THR 37 HG21 THR 37 3.871 -6.531 10.383 242 HG22 THR 37 HG22 THR 37 3.670 -5.056 11.330 243 HG23 THR 37 HG23 THR 37 3.871 -4.962 9.579 244 H GLY 38 H GLY 38 1.075 -4.004 8.086 245 HA2 GLY 38 HA2 GLY 38 3.302 -3.804 6.229 246 HA3 GLY 38 HA3 GLY 38 1.687 -3.668 5.537 247 H HIS 39 H HIS 39 3.881 -1.698 5.703 248 HA HIS 39 HA HIS 39 2.186 0.462 6.555 249 HB2 HIS 39 HB2 HIS 39 3.679 1.529 8.061 250 HB3 HIS 39 HB3 HIS 39 3.575 -0.140 8.596 251 HD1 HIS 39 HD1 HIS 39 5.727 -1.493 8.614 252 HD2 HIS 39 HD2 HIS 39 6.187 2.280 6.926 253 HE1 HIS 39 HE1 HIS 39 8.201 -1.135 8.439 254 HE2 HIS 39 HE2 HIS 39 8.443 1.252 7.708 255 H CYS 40 H CYS 40 2.764 2.421 5.647 256 HA CYS 40 HA CYS 40 4.125 2.021 3.134 257 HB2 CYS 40 HB2 CYS 40 2.714 4.465 4.187 258 HB3 CYS 40 HB3 CYS 40 3.259 4.176 2.532 259 H GLU 41 H GLU 41 6.123 2.560 2.714 260 HA GLU 41 HA GLU 41 7.386 4.643 4.324 261 HB2 GLU 41 HB2 GLU 41 7.920 2.381 5.280 262 HB3 GLU 41 HB3 GLU 41 8.666 1.969 3.747 263 HG2 GLU 41 HG2 GLU 41 10.276 2.641 5.475 264 HG3 GLU 41 HG3 GLU 41 10.335 3.652 4.030 265 H ARG 42 H ARG 42 8.943 5.801 3.213 266 HA ARG 42 HA ARG 42 8.852 5.386 0.344 267 HB2 ARG 42 HB2 ARG 42 9.845 7.686 2.001 268 HB3 ARG 42 HB3 ARG 42 10.011 7.605 0.254 269 HG2 ARG 42 HG2 ARG 42 7.590 7.405 0.057 270 HG3 ARG 42 HG3 ARG 42 7.442 7.606 1.809 271 HD2 ARG 42 HD2 ARG 42 7.074 9.746 0.996 272 HD3 ARG 42 HD3 ARG 42 8.792 9.777 1.399 273 HE ARG 42 HE ARG 42 8.902 9.090 -1.152 274 HH11 ARG 42 HH11 ARG 42 6.970 11.538 0.449 275 HH12 ARG 42 HH12 ARG 42 6.897 12.575 -0.930 276 HH21 ARG 42 HH21 ARG 42 8.788 10.457 -3.011 277 HH22 ARG 42 HH22 ARG 42 7.924 11.960 -2.900 278 H ARG 43 H ARG 43 10.356 4.585 -0.760 279 HA ARG 43 HA ARG 43 13.038 4.324 0.440 280 HB2 ARG 43 HB2 ARG 43 11.654 2.366 -1.413 281 HB3 ARG 43 HB3 ARG 43 13.315 2.224 -0.855 282 HG2 ARG 43 HG2 ARG 43 10.804 2.029 0.802 283 HG3 ARG 43 HG3 ARG 43 11.971 0.752 0.457 284 HD2 ARG 43 HD2 ARG 43 13.692 2.105 1.668 285 HD3 ARG 43 HD3 ARG 43 12.409 3.229 2.116 286 HE ARG 43 HE ARG 43 11.868 0.511 2.862 287 HH11 ARG 43 HH11 ARG 43 13.387 3.527 3.849 288 HH12 ARG 43 HH12 ARG 43 13.408 3.117 5.526 289 HH21 ARG 43 HH21 ARG 43 11.902 -0.030 5.113 290 HH22 ARG 43 HH22 ARG 43 12.569 1.093 6.244 291 H GLY 44 H GLY 44 14.416 5.566 -0.546 292 HA2 GLY 44 HA2 GLY 44 15.384 6.928 -2.148 293 HA3 GLY 44 HA3 GLY 44 14.899 5.684 -3.289 294 H GLY 45 H GLY 45 12.940 7.919 -1.297 295 HA2 GLY 45 HA2 GLY 45 11.453 9.540 -1.923 296 HA3 GLY 45 HA3 GLY 45 12.120 9.473 -3.543 297 H ARG 46 H ARG 46 11.341 6.406 -3.000 298 HA ARG 46 HA ARG 46 8.833 6.688 -4.452 299 HB2 ARG 46 HB2 ARG 46 10.547 4.274 -3.888 300 HB3 ARG 46 HB3 ARG 46 9.069 4.250 -4.837 301 HG2 ARG 46 HG2 ARG 46 11.427 5.963 -5.526 302 HG3 ARG 46 HG3 ARG 46 11.229 4.312 -6.131 303 HD2 ARG 46 HD2 ARG 46 8.953 5.073 -6.983 304 HD3 ARG 46 HD3 ARG 46 9.489 6.717 -6.637 305 HE ARG 46 HE ARG 46 11.452 5.492 -8.190 306 HH11 ARG 46 HH11 ARG 46 8.137 6.582 -8.503 307 HH12 ARG 46 HH12 ARG 46 8.221 6.801 -10.213 308 HH21 ARG 46 HH21 ARG 46 11.585 5.776 -10.461 309 HH22 ARG 46 HH22 ARG 46 10.208 6.343 -11.340 310 HA PRO 47 HA PRO 47 6.701 5.742 -0.583 311 HB2 PRO 47 HB2 PRO 47 4.214 6.113 -1.586 312 HB3 PRO 47 HB3 PRO 47 5.255 7.446 -1.067 313 HG2 PRO 47 HG2 PRO 47 4.754 6.409 -3.832 314 HG3 PRO 47 HG3 PRO 47 4.820 8.090 -3.265 315 HD2 PRO 47 HD2 PRO 47 6.896 6.913 -4.506 316 HD3 PRO 47 HD3 PRO 47 7.120 8.115 -3.214 317 H THR 48 H THR 48 7.045 3.588 -0.393 318 HA THR 48 HA THR 48 5.480 1.820 -2.129 319 HB THR 48 HB THR 48 8.219 1.298 -0.923 320 HG1 THR 48 HG1 THR 48 9.005 1.751 -2.905 321 HG21 THR 48 HG21 THR 48 6.600 -0.368 -2.862 322 HG22 THR 48 HG22 THR 48 6.873 -0.756 -1.163 323 HG23 THR 48 HG23 THR 48 8.229 -0.730 -2.290 324 H CYS 49 H CYS 49 4.819 -0.184 -1.159 325 HA CYS 49 HA CYS 49 4.103 0.125 1.645 326 HB2 CYS 49 HB2 CYS 49 2.276 -0.479 0.209 327 HB3 CYS 49 HB3 CYS 49 3.210 -1.769 -0.536 328 H VAL 50 H VAL 50 5.655 -0.588 3.014 329 HA VAL 50 HA VAL 50 7.112 -2.978 2.214 330 HB VAL 50 HB VAL 50 8.888 -2.343 3.760 331 HG11 VAL 50 HG11 VAL 50 8.064 -0.041 2.001 332 HG12 VAL 50 HG12 VAL 50 9.005 -1.450 1.510 333 HG13 VAL 50 HG13 VAL 50 9.676 -0.301 2.668 334 HG21 VAL 50 HG21 VAL 50 8.845 -0.227 4.971 335 HG22 VAL 50 HG22 VAL 50 7.529 -1.287 5.482 336 HG23 VAL 50 HG23 VAL 50 7.201 0.069 4.403 337 H CYS 51 H CYS 51 6.739 -4.787 3.213 338 HA CYS 51 HA CYS 51 4.851 -4.755 5.415 339 HB2 CYS 51 HB2 CYS 51 5.826 -7.139 3.855 340 HB3 CYS 51 HB3 CYS 51 4.431 -7.038 4.911 341 H SER 52 H SER 52 5.056 -6.160 7.175 342 HA SER 52 HA SER 52 7.742 -7.102 7.798 343 HB2 SER 52 HB2 SER 52 7.393 -4.872 8.895 344 HB3 SER 52 HB3 SER 52 5.993 -5.543 9.729 345 HG SER 52 HG SER 52 8.697 -5.932 10.181 346 H ARG 53 H ARG 53 7.651 -8.696 9.603 347 HA ARG 53 HA ARG 53 6.848 -10.595 10.540 348 HB2 ARG 53 HB2 ARG 53 4.129 -9.318 10.176 349 HB3 ARG 53 HB3 ARG 53 4.483 -10.704 11.197 350 HG2 ARG 53 HG2 ARG 53 5.608 -7.940 11.570 351 HG3 ARG 53 HG3 ARG 53 4.250 -8.625 12.466 352 HD2 ARG 53 HD2 ARG 53 5.642 -10.286 13.445 353 HD3 ARG 53 HD3 ARG 53 6.987 -9.863 12.389 354 HE ARG 53 HE ARG 53 6.928 -7.650 13.548 355 HH11 ARG 53 HH11 ARG 53 5.856 -10.591 15.126 356 HH12 ARG 53 HH12 ARG 53 6.214 -10.034 16.723 357 HH21 ARG 53 HH21 ARG 53 7.403 -6.896 15.669 358 HH22 ARG 53 HH22 ARG 53 7.091 -7.914 17.034 359 H CYS 54 H CYS 54 7.434 -10.670 7.857 360 HA CYS 54 HA CYS 54 5.262 -12.034 6.516 361 HB2 CYS 54 HB2 CYS 54 8.113 -11.537 5.639 362 HB3 CYS 54 HB3 CYS 54 6.849 -12.235 4.628 363 H GLY 55 H GLY 55 5.106 -14.235 6.125 364 HA2 GLY 55 HA2 GLY 55 5.421 -16.443 6.643 365 HA3 GLY 55 HA3 GLY 55 7.093 -16.057 7.065 366 H ASN 56 H ASN 56 4.369 -14.463 8.353 367 HA ASN 56 HA ASN 56 4.428 -15.717 10.940 368 HB2 ASN 56 HB2 ASN 56 5.719 -13.016 10.573 369 HB3 ASN 56 HB3 ASN 56 4.975 -13.457 12.102 370 HD21 ASN 56 HD21 ASN 56 5.906 -15.093 13.341 371 HD22 ASN 56 HD22 ASN 56 7.536 -15.614 13.088 372 H GLY 57 H GLY 57 2.995 -14.510 12.494 373 HA2 GLY 57 HA2 GLY 57 0.650 -13.567 11.070 374 HA3 GLY 57 HA3 GLY 57 0.755 -13.927 12.789 375 H GLY 58 H GLY 58 -0.539 -11.795 12.590 376 HA2 GLY 58 HA2 GLY 58 1.211 -9.684 13.454 377 HA3 GLY 58 HA3 GLY 58 0.436 -9.351 11.908 378 H GLY 59 H GLY 59 -1.258 -8.043 12.177 379 HA2 GLY 59 HA2 GLY 59 -2.666 -7.623 14.525 380 HA3 GLY 59 HA3 GLY 59 -3.301 -7.307 12.914 381 H GLU 60 H GLU 60 -3.378 -9.812 11.873 382 HA GLU 60 HA GLU 60 -4.572 -11.703 13.624 383 HB2 GLU 60 HB2 GLU 60 -6.805 -11.773 12.647 384 HB3 GLU 60 HB3 GLU 60 -6.503 -10.202 13.370 385 HG2 GLU 60 HG2 GLU 60 -6.202 -10.738 10.425 386 HG3 GLU 60 HG3 GLU 60 -7.713 -10.212 11.161 387 H TRP 61 H TRP 61 -5.285 -13.608 12.455 388 HA TRP 61 HA TRP 61 -3.520 -14.243 10.289 389 HB2 TRP 61 HB2 TRP 61 -5.681 -15.794 11.702 390 HB3 TRP 61 HB3 TRP 61 -4.769 -16.452 10.346 391 HD1 TRP 61 HD1 TRP 61 -2.329 -17.219 10.778 392 HE1 TRP 61 HE1 TRP 61 -0.923 -17.579 12.909 393 HE3 TRP 61 HE3 TRP 61 -5.334 -14.800 14.115 394 HZ2 TRP 61 HZ2 TRP 61 -1.085 -16.906 15.651 395 HZ3 TRP 61 HZ3 TRP 61 -4.642 -14.697 16.469 396 HH2 TRP 61 HH2 TRP 61 -2.561 -15.729 17.222 397 HA PRO 62 HA PRO 62 -6.280 -12.834 7.089 398 HB2 PRO 62 HB2 PRO 62 -4.602 -14.537 5.346 399 HB3 PRO 62 HB3 PRO 62 -4.931 -12.805 5.244 400 HG2 PRO 62 HG2 PRO 62 -2.546 -13.722 6.043 401 HG3 PRO 62 HG3 PRO 62 -3.264 -12.262 6.746 402 HD2 PRO 62 HD2 PRO 62 -3.115 -15.029 7.869 403 HD3 PRO 62 HD3 PRO 62 -2.915 -13.460 8.681 404 H ASN 63 H ASN 63 -8.011 -14.088 7.924 405 HA ASN 63 HA ASN 63 -9.794 -15.479 7.613 406 HB2 ASN 63 HB2 ASN 63 -9.202 -15.198 5.136 407 HB3 ASN 63 HB3 ASN 63 -8.345 -16.728 5.265 408 HD21 ASN 63 HD21 ASN 63 -9.591 -18.612 5.810 409 HD22 ASN 63 HD22 ASN 63 -11.267 -18.694 5.376 410 H LEU 64 H LEU 64 -6.845 -16.298 8.656 411 HA LEU 64 HA LEU 64 -5.906 -17.983 9.749 412 HB2 LEU 64 HB2 LEU 64 -8.673 -19.190 9.809 413 HB3 LEU 64 HB3 LEU 64 -7.311 -19.717 10.778 414 HG LEU 64 HG LEU 64 -7.482 -17.048 11.368 415 HD11 LEU 64 HD11 LEU 64 -10.277 -18.118 11.159 416 HD12 LEU 64 HD12 LEU 64 -9.582 -16.798 10.217 417 HD13 LEU 64 HD13 LEU 64 -9.807 -16.618 11.957 418 HD21 LEU 64 HD21 LEU 64 -8.723 -19.380 12.820 419 HD22 LEU 64 HD22 LEU 64 -8.366 -17.808 13.534 420 HD23 LEU 64 HD23 LEU 64 -7.053 -18.833 12.956 421 HA PRO 65 HA PRO 65 -5.274 -20.437 6.001 422 HB2 PRO 65 HB2 PRO 65 -2.590 -20.575 6.232 423 HB3 PRO 65 HB3 PRO 65 -3.406 -19.144 5.591 424 HG2 PRO 65 HG2 PRO 65 -2.312 -19.629 8.333 425 HG3 PRO 65 HG3 PRO 65 -2.205 -18.173 7.327 426 HD2 PRO 65 HD2 PRO 65 -3.995 -18.464 9.359 427 HD3 PRO 65 HD3 PRO 65 -4.297 -17.451 7.935 428 H SER 66 H SER 66 -3.493 -22.360 5.844 429 HA SER 66 HA SER 66 -4.449 -24.279 7.776 430 HB2 SER 66 HB2 SER 66 -3.123 -25.907 6.343 431 HB3 SER 66 HB3 SER 66 -4.438 -25.065 5.527 432 HG SER 66 HG SER 66 -2.400 -25.154 4.367 433 H ARG 67 H ARG 67 -3.362 -25.065 9.430 434 HA ARG 67 HA ARG 67 -0.710 -23.951 9.985 435 HB2 ARG 67 HB2 ARG 67 -2.635 -25.479 11.742 436 HB3 ARG 67 HB3 ARG 67 -1.032 -24.985 12.259 437 HG2 ARG 67 HG2 ARG 67 -2.502 -23.396 13.140 438 HG3 ARG 67 HG3 ARG 67 -1.748 -22.620 11.748 439 HD2 ARG 67 HD2 ARG 67 -4.162 -22.175 11.837 440 HD3 ARG 67 HD3 ARG 67 -3.718 -23.088 10.395 441 HE ARG 67 HE ARG 67 -4.480 -24.837 12.498 442 HH11 ARG 67 HH11 ARG 67 -5.825 -22.676 10.071 443 HH12 ARG 67 HH12 ARG 67 -7.372 -23.450 10.054 444 HH21 ARG 67 HH21 ARG 67 -6.515 -25.891 12.440 445 HH22 ARG 67 HH22 ARG 67 -7.765 -25.275 11.412 446 H GLY 68 H GLY 68 -2.263 -26.835 9.059 447 HA2 GLY 68 HA2 GLY 68 0.059 -28.145 8.328 448 HA3 GLY 68 HA3 GLY 68 -0.393 -28.709 9.936 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 4.435 3.244 -15.205 2 H2 GLY 1 H2 GLY 1 3.437 1.880 -15.290 3 H3 GLY 1 H3 GLY 1 3.038 3.153 -14.262 4 HA2 GLY 1 HA2 GLY 1 2.649 4.613 -16.101 5 HA3 GLY 1 HA3 GLY 1 3.146 3.342 -17.211 6 H SER 2 H SER 2 0.923 3.963 -18.044 7 HA SER 2 HA SER 2 -1.271 3.561 -18.375 8 HB2 SER 2 HB2 SER 2 -1.945 1.139 -18.114 9 HB3 SER 2 HB3 SER 2 -0.480 1.405 -19.054 10 HG SER 2 HG SER 2 -0.808 0.306 -16.493 11 H ALA 3 H ALA 3 -0.648 4.698 -15.776 12 HA ALA 3 HA ALA 3 -3.194 4.453 -14.555 13 HB1 ALA 3 HB1 ALA 3 -0.875 3.291 -13.011 14 HB2 ALA 3 HB2 ALA 3 -2.206 2.368 -13.707 15 HB3 ALA 3 HB3 ALA 3 -2.516 3.521 -12.409 16 H LEU 4 H LEU 4 -3.391 5.835 -12.698 17 HA LEU 4 HA LEU 4 -1.904 8.248 -12.987 18 HB2 LEU 4 HB2 LEU 4 -3.330 9.201 -11.355 19 HB3 LEU 4 HB3 LEU 4 -4.319 8.113 -12.303 20 HG LEU 4 HG LEU 4 -3.175 7.363 -9.610 21 HD11 LEU 4 HD11 LEU 4 -5.894 8.500 -10.261 22 HD12 LEU 4 HD12 LEU 4 -4.622 9.299 -9.336 23 HD13 LEU 4 HD13 LEU 4 -5.402 7.852 -8.698 24 HD21 LEU 4 HD21 LEU 4 -4.990 5.676 -9.659 25 HD22 LEU 4 HD22 LEU 4 -3.814 5.454 -10.951 26 HD23 LEU 4 HD23 LEU 4 -5.382 6.181 -11.303 27 H ASP 5 H ASP 5 -1.659 5.504 -10.920 28 HA ASP 5 HA ASP 5 0.745 6.644 -9.748 29 HB2 ASP 5 HB2 ASP 5 -1.555 5.558 -8.135 30 HB3 ASP 5 HB3 ASP 5 0.081 5.639 -7.492 31 H PHE 6 H PHE 6 2.238 5.094 -8.982 32 HA PHE 6 HA PHE 6 1.900 2.529 -10.356 33 HB2 PHE 6 HB2 PHE 6 4.268 2.339 -10.447 34 HB3 PHE 6 HB3 PHE 6 3.882 3.998 -10.871 35 HD1 PHE 6 HD2 PHE 6 3.895 5.653 -8.746 36 HD2 PHE 6 HD1 PHE 6 6.020 1.980 -9.029 37 HE1 PHE 6 HE2 PHE 6 5.459 6.433 -7.021 38 HE2 PHE 6 HE1 PHE 6 7.592 2.755 -7.303 39 HZ PHE 6 HZ PHE 6 7.312 4.985 -6.296 40 H THR 7 H THR 7 2.048 3.780 -7.178 41 HA THR 7 HA THR 7 2.300 1.040 -6.148 42 HB THR 7 HB THR 7 3.206 2.194 -4.009 43 HG1 THR 7 HG1 THR 7 4.377 4.089 -4.464 44 HG21 THR 7 HG21 THR 7 5.510 1.973 -4.832 45 HG22 THR 7 HG22 THR 7 4.910 1.938 -6.490 46 HG23 THR 7 HG23 THR 7 4.499 0.635 -5.376 47 H SER 8 H SER 8 0.989 0.433 -4.493 48 HA SER 8 HA SER 8 -1.483 1.735 -4.207 49 HB2 SER 8 HB2 SER 8 -0.264 -0.380 -2.425 50 HB3 SER 8 HB3 SER 8 -1.979 0.014 -2.565 51 HG SER 8 HG SER 8 -1.313 -0.426 -4.989 52 H CYS 9 H CYS 9 1.527 2.073 -2.517 53 HA CYS 9 HA CYS 9 0.222 3.497 -0.353 54 HB2 CYS 9 HB2 CYS 9 3.000 2.487 -0.772 55 HB3 CYS 9 HB3 CYS 9 2.681 3.750 0.413 56 H ALA 10 H ALA 10 0.956 4.326 -3.338 57 HA ALA 10 HA ALA 10 2.424 6.705 -3.083 58 HB1 ALA 10 HB1 ALA 10 0.237 6.077 -5.064 59 HB2 ALA 10 HB2 ALA 10 1.934 5.637 -5.240 60 HB3 ALA 10 HB3 ALA 10 1.460 7.339 -5.229 61 H ARG 11 H ARG 11 -0.805 5.896 -2.176 62 HA ARG 11 HA ARG 11 -1.978 8.438 -2.209 63 HB2 ARG 11 HB2 ARG 11 -2.872 6.823 0.054 64 HB3 ARG 11 HB3 ARG 11 -3.784 7.470 -1.291 65 HG2 ARG 11 HG2 ARG 11 -2.183 4.932 -1.303 66 HG3 ARG 11 HG3 ARG 11 -3.937 5.046 -1.158 67 HD2 ARG 11 HD2 ARG 11 -2.171 5.593 -3.505 68 HD3 ARG 11 HD3 ARG 11 -3.576 4.535 -3.390 69 HE ARG 11 HE ARG 11 -4.725 6.905 -2.996 70 HH11 ARG 11 HH11 ARG 11 -2.466 5.825 -5.425 71 HH12 ARG 11 HH12 ARG 11 -2.877 7.063 -6.567 72 HH21 ARG 11 HH21 ARG 11 -5.336 8.513 -4.517 73 HH22 ARG 11 HH22 ARG 11 -4.546 8.578 -6.055 74 H MET 12 H MET 12 0.508 7.186 -0.182 75 HA MET 12 HA MET 12 0.039 8.478 2.205 76 HB2 MET 12 HB2 MET 12 2.364 8.228 2.694 77 HB3 MET 12 HB3 MET 12 1.897 6.849 1.707 78 HG2 MET 12 HG2 MET 12 3.011 7.667 -0.179 79 HG3 MET 12 HG3 MET 12 3.116 9.295 0.481 80 HE1 MET 12 HE1 MET 12 3.959 5.822 2.189 81 HE2 MET 12 HE2 MET 12 5.693 5.726 1.871 82 HE3 MET 12 HE3 MET 12 4.548 5.664 0.531 83 H ASN 13 H ASN 13 0.702 9.893 -0.865 84 HA ASN 13 HA ASN 13 1.342 12.434 0.457 85 HB2 ASN 13 HB2 ASN 13 2.567 13.136 -1.579 86 HB3 ASN 13 HB3 ASN 13 3.302 11.727 -0.831 87 HD21 ASN 13 HD21 ASN 13 3.469 9.877 -1.981 88 HD22 ASN 13 HD22 ASN 13 2.940 9.703 -3.615 89 H ASP 14 H ASP 14 -1.186 11.128 -0.233 90 HA ASP 14 HA ASP 14 -2.271 12.928 -2.297 91 HB2 ASP 14 HB2 ASP 14 -2.658 10.389 -2.390 92 HB3 ASP 14 HB3 ASP 14 -3.630 10.585 -0.945 93 H GLY 15 H GLY 15 -1.525 13.360 0.653 94 HA2 GLY 15 HA2 GLY 15 -2.496 15.045 2.021 95 HA3 GLY 15 HA3 GLY 15 -4.088 14.508 1.490 96 H ALA 16 H ALA 16 -3.674 14.795 4.158 97 HA ALA 16 HA ALA 16 -2.735 12.651 5.596 98 HB1 ALA 16 HB1 ALA 16 -4.215 13.376 7.379 99 HB2 ALA 16 HB2 ALA 16 -5.146 14.334 6.228 100 HB3 ALA 16 HB3 ALA 16 -3.473 14.760 6.578 101 H LEU 17 H LEU 17 -5.785 12.933 3.877 102 HA LEU 17 HA LEU 17 -7.022 10.631 5.004 103 HB2 LEU 17 HB2 LEU 17 -7.944 12.637 3.497 104 HB3 LEU 17 HB3 LEU 17 -7.597 11.502 2.209 105 HG LEU 17 HG LEU 17 -9.966 11.480 2.914 106 HD11 LEU 17 HD11 LEU 17 -8.497 8.911 3.466 107 HD12 LEU 17 HD12 LEU 17 -9.023 9.496 1.888 108 HD13 LEU 17 HD13 LEU 17 -10.218 9.063 3.110 109 HD21 LEU 17 HD21 LEU 17 -9.588 11.982 5.290 110 HD22 LEU 17 HD22 LEU 17 -8.923 10.364 5.513 111 HD23 LEU 17 HD23 LEU 17 -10.612 10.567 5.055 112 H GLY 18 H GLY 18 -5.011 11.264 2.193 113 HA2 GLY 18 HA2 GLY 18 -5.097 8.785 0.915 114 HA3 GLY 18 HA3 GLY 18 -3.768 9.925 0.853 115 H ALA 19 H ALA 19 -3.038 9.944 3.550 116 HA ALA 19 HA ALA 19 -1.236 7.847 3.707 117 HB1 ALA 19 HB1 ALA 19 -1.035 9.916 5.004 118 HB2 ALA 19 HB2 ALA 19 -0.900 8.492 6.035 119 HB3 ALA 19 HB3 ALA 19 -2.399 9.418 6.005 120 H LYS 20 H LYS 20 -4.435 8.125 5.186 121 HA LYS 20 HA LYS 20 -4.318 5.631 6.516 122 HB2 LYS 20 HB2 LYS 20 -6.367 7.682 6.043 123 HB3 LYS 20 HB3 LYS 20 -6.998 6.050 6.203 124 HG2 LYS 20 HG2 LYS 20 -6.997 7.161 8.353 125 HG3 LYS 20 HG3 LYS 20 -5.853 5.822 8.362 126 HD2 LYS 20 HD2 LYS 20 -4.753 7.610 9.444 127 HD3 LYS 20 HD3 LYS 20 -4.060 7.537 7.825 128 HE2 LYS 20 HE2 LYS 20 -4.507 9.835 8.441 129 HE3 LYS 20 HE3 LYS 20 -5.563 9.346 7.117 130 HZ1 LYS 20 HZ1 LYS 20 -6.755 10.594 8.802 131 HZ2 LYS 20 HZ2 LYS 20 -6.321 9.472 9.982 132 HZ3 LYS 20 HZ3 LYS 20 -7.346 9.014 8.720 133 H VAL 21 H VAL 21 -5.617 6.593 3.347 134 HA VAL 21 HA VAL 21 -6.688 4.096 2.665 135 HB VAL 21 HB VAL 21 -5.396 6.032 0.725 136 HG11 VAL 21 HG11 VAL 21 -7.024 5.110 -0.865 137 HG12 VAL 21 HG12 VAL 21 -7.580 3.988 0.379 138 HG13 VAL 21 HG13 VAL 21 -5.932 3.877 -0.232 139 HG21 VAL 21 HG21 VAL 21 -6.976 7.254 2.123 140 HG22 VAL 21 HG22 VAL 21 -8.221 6.044 1.796 141 HG23 VAL 21 HG23 VAL 21 -7.611 7.060 0.490 142 H ALA 22 H ALA 22 -3.503 5.504 2.030 143 HA ALA 22 HA ALA 22 -2.338 3.423 0.639 144 HB1 ALA 22 HB1 ALA 22 -1.302 5.598 0.837 145 HB2 ALA 22 HB2 ALA 22 -0.184 4.356 1.405 146 HB3 ALA 22 HB3 ALA 22 -1.057 5.353 2.565 147 H GLN 23 H GLN 23 -2.266 3.979 4.142 148 HA GLN 23 HA GLN 23 -0.675 1.718 4.718 149 HB2 GLN 23 HB2 GLN 23 -1.122 2.091 7.019 150 HB3 GLN 23 HB3 GLN 23 -1.059 3.670 6.254 151 HG2 GLN 23 HG2 GLN 23 -3.530 3.678 6.185 152 HG3 GLN 23 HG3 GLN 23 -3.507 2.161 7.086 153 HE21 GLN 23 HE21 GLN 23 -2.954 2.174 9.244 154 HE22 GLN 23 HE22 GLN 23 -2.840 3.625 10.170 155 H ALA 24 H ALA 24 -4.159 2.166 4.577 156 HA ALA 24 HA ALA 24 -4.900 -0.354 5.605 157 HB1 ALA 24 HB1 ALA 24 -6.394 1.389 3.647 158 HB2 ALA 24 HB2 ALA 24 -6.451 1.535 5.403 159 HB3 ALA 24 HB3 ALA 24 -7.081 0.087 4.620 160 H ALA 25 H ALA 25 -4.464 0.805 2.290 161 HA ALA 25 HA ALA 25 -5.042 -1.616 0.988 162 HB1 ALA 25 HB1 ALA 25 -4.962 0.536 -0.176 163 HB2 ALA 25 HB2 ALA 25 -3.890 -0.639 -0.938 164 HB3 ALA 25 HB3 ALA 25 -3.223 0.623 0.097 165 H CYS 26 H CYS 26 -2.094 -0.312 2.379 166 HA CYS 26 HA CYS 26 -0.350 -2.271 1.327 167 HB2 CYS 26 HB2 CYS 26 0.326 -0.021 2.222 168 HB3 CYS 26 HB3 CYS 26 0.037 -0.644 3.842 169 H ILE 27 H ILE 27 -1.894 -1.908 4.532 170 HA ILE 27 HA ILE 27 -0.809 -4.159 5.767 171 HB ILE 27 HB ILE 27 -3.569 -2.979 6.161 172 HG12 ILE 27 HG12 ILE 27 -1.063 -2.520 7.794 173 HG13 ILE 27 HG13 ILE 27 -1.590 -1.450 6.505 174 HG21 ILE 27 HG21 ILE 27 -3.505 -5.221 7.081 175 HG22 ILE 27 HG22 ILE 27 -3.481 -4.052 8.401 176 HG23 ILE 27 HG23 ILE 27 -1.995 -4.868 7.918 177 HD11 ILE 27 HD11 ILE 27 -3.141 -2.083 8.999 178 HD12 ILE 27 HD12 ILE 27 -3.635 -0.975 7.717 179 HD13 ILE 27 HD13 ILE 27 -2.217 -0.612 8.699 180 H SER 28 H SER 28 -3.910 -3.898 4.067 181 HA SER 28 HA SER 28 -4.657 -6.574 4.329 182 HB2 SER 28 HB2 SER 28 -6.101 -6.092 2.281 183 HB3 SER 28 HB3 SER 28 -6.343 -5.061 3.691 184 HG SER 28 HG SER 28 -5.386 -3.403 2.677 185 H SER 29 H SER 29 -2.892 -4.999 1.664 186 HA SER 29 HA SER 29 -2.659 -7.282 0.044 187 HB2 SER 29 HB2 SER 29 -0.787 -4.907 0.222 188 HB3 SER 29 HB3 SER 29 -0.859 -6.067 -1.105 189 HG SER 29 HG SER 29 -2.696 -4.065 -0.364 190 H CYS 30 H CYS 30 -0.702 -6.081 2.714 191 HA CYS 30 HA CYS 30 1.437 -7.896 2.373 192 HB2 CYS 30 HB2 CYS 30 0.456 -6.306 4.732 193 HB3 CYS 30 HB3 CYS 30 1.885 -7.334 4.816 194 H LYS 31 H LYS 31 -1.424 -7.947 4.439 195 HA LYS 31 HA LYS 31 -0.981 -10.396 5.646 196 HB2 LYS 31 HB2 LYS 31 -3.587 -9.068 4.913 197 HB3 LYS 31 HB3 LYS 31 -3.410 -10.387 6.068 198 HG2 LYS 31 HG2 LYS 31 -2.286 -9.065 7.610 199 HG3 LYS 31 HG3 LYS 31 -1.848 -7.862 6.400 200 HD2 LYS 31 HD2 LYS 31 -3.556 -6.984 7.847 201 HD3 LYS 31 HD3 LYS 31 -4.212 -7.220 6.224 202 HE2 LYS 31 HE2 LYS 31 -5.307 -9.223 6.910 203 HE3 LYS 31 HE3 LYS 31 -4.503 -9.172 8.481 204 HZ1 LYS 31 HZ1 LYS 31 -5.698 -7.071 8.906 205 HZ2 LYS 31 HZ2 LYS 31 -6.719 -8.404 8.739 206 HZ3 LYS 31 HZ3 LYS 31 -6.567 -7.299 7.472 207 H PHE 32 H PHE 32 -2.499 -9.692 2.500 208 HA PHE 32 HA PHE 32 -3.371 -12.278 1.926 209 HB2 PHE 32 HB2 PHE 32 -2.622 -9.926 0.234 210 HB3 PHE 32 HB3 PHE 32 -3.003 -11.466 -0.517 211 HD1 PHE 32 HD2 PHE 32 -5.210 -12.516 0.940 212 HD2 PHE 32 HD1 PHE 32 -4.362 -8.465 -0.043 213 HE1 PHE 32 HE2 PHE 32 -7.604 -11.986 1.084 214 HE2 PHE 32 HE1 PHE 32 -6.752 -7.929 0.099 215 HZ PHE 32 HZ PHE 32 -8.378 -9.689 0.661 216 H GLN 33 H GLN 33 -0.187 -10.838 1.661 217 HA GLN 33 HA GLN 33 0.811 -13.230 0.318 218 HB2 GLN 33 HB2 GLN 33 2.961 -11.976 0.146 219 HB3 GLN 33 HB3 GLN 33 1.609 -11.189 -0.648 220 HG2 GLN 33 HG2 GLN 33 1.368 -9.742 1.352 221 HG3 GLN 33 HG3 GLN 33 2.851 -10.456 1.984 222 HE21 GLN 33 HE21 GLN 33 1.462 -8.383 -0.403 223 HE22 GLN 33 HE22 GLN 33 2.939 -7.668 -0.947 224 H ASN 34 H ASN 34 -0.075 -12.908 3.184 225 HA ASN 34 HA ASN 34 0.314 -14.057 5.090 226 HB2 ASN 34 HB2 ASN 34 1.235 -15.823 3.525 227 HB3 ASN 34 HB3 ASN 34 2.835 -15.167 3.843 228 HD21 ASN 34 HD21 ASN 34 3.606 -17.005 4.819 229 HD22 ASN 34 HD22 ASN 34 3.066 -17.545 6.371 230 H CYS 35 H CYS 35 1.222 -11.387 4.763 231 HA CYS 35 HA CYS 35 3.559 -11.381 6.510 232 HB2 CYS 35 HB2 CYS 35 2.393 -9.264 4.721 233 HB3 CYS 35 HB3 CYS 35 3.648 -8.916 5.902 234 H GLY 36 H GLY 36 3.465 -10.569 8.486 235 HA2 GLY 36 HA2 GLY 36 1.031 -10.585 9.876 236 HA3 GLY 36 HA3 GLY 36 2.543 -9.949 10.502 237 H THR 37 H THR 37 2.901 -7.883 8.705 238 HA THR 37 HA THR 37 0.499 -6.263 8.770 239 HB THR 37 HB THR 37 1.437 -5.973 11.050 240 HG1 THR 37 HG1 THR 37 1.753 -3.533 10.724 241 HG21 THR 37 HG21 THR 37 3.799 -4.760 9.610 242 HG22 THR 37 HG22 THR 37 3.810 -6.278 10.507 243 HG23 THR 37 HG23 THR 37 3.542 -4.754 11.355 244 H GLY 38 H GLY 38 0.993 -4.041 7.988 245 HA2 GLY 38 HA2 GLY 38 3.202 -3.938 6.100 246 HA3 GLY 38 HA3 GLY 38 1.571 -3.840 5.433 247 H HIS 39 H HIS 39 3.797 -1.871 5.537 248 HA HIS 39 HA HIS 39 2.110 0.317 6.374 249 HB2 HIS 39 HB2 HIS 39 3.624 1.356 7.880 250 HB3 HIS 39 HB3 HIS 39 3.520 -0.317 8.396 251 HD1 HIS 39 HD1 HIS 39 5.705 -1.671 8.404 252 HD2 HIS 39 HD2 HIS 39 6.107 2.108 6.719 253 HE1 HIS 39 HE1 HIS 39 8.181 -1.290 8.166 254 HE2 HIS 39 HE2 HIS 39 8.407 1.052 7.286 255 H CYS 40 H CYS 40 2.626 2.253 5.394 256 HA CYS 40 HA CYS 40 4.067 1.871 2.929 257 HB2 CYS 40 HB2 CYS 40 2.577 4.276 3.971 258 HB3 CYS 40 HB3 CYS 40 3.193 4.056 2.335 259 H GLU 41 H GLU 41 6.052 2.490 2.571 260 HA GLU 41 HA GLU 41 7.222 4.474 4.375 261 HB2 GLU 41 HB2 GLU 41 7.711 2.064 5.032 262 HB3 GLU 41 HB3 GLU 41 8.641 1.948 3.549 263 HG2 GLU 41 HG2 GLU 41 10.183 3.591 4.313 264 HG3 GLU 41 HG3 GLU 41 9.176 3.952 5.719 265 H ARG 42 H ARG 42 8.724 5.814 3.397 266 HA ARG 42 HA ARG 42 8.786 5.609 0.496 267 HB2 ARG 42 HB2 ARG 42 8.904 7.826 2.390 268 HB3 ARG 42 HB3 ARG 42 10.145 7.925 1.152 269 HG2 ARG 42 HG2 ARG 42 8.335 7.619 -0.554 270 HG3 ARG 42 HG3 ARG 42 7.170 7.789 0.758 271 HD2 ARG 42 HD2 ARG 42 7.503 9.908 -0.411 272 HD3 ARG 42 HD3 ARG 42 8.048 10.010 1.261 273 HE ARG 42 HE ARG 42 10.304 9.365 -0.100 274 HH11 ARG 42 HH11 ARG 42 7.913 11.915 -0.519 275 HH12 ARG 42 HH12 ARG 42 9.055 13.053 -1.136 276 HH21 ARG 42 HH21 ARG 42 11.818 10.932 -0.884 277 HH22 ARG 42 HH22 ARG 42 11.252 12.498 -1.352 278 H ARG 43 H ARG 43 10.432 4.953 -0.542 279 HA ARG 43 HA ARG 43 13.044 4.896 0.810 280 HB2 ARG 43 HB2 ARG 43 11.866 2.608 -0.782 281 HB3 ARG 43 HB3 ARG 43 13.500 2.660 -0.124 282 HG2 ARG 43 HG2 ARG 43 12.417 2.955 2.155 283 HG3 ARG 43 HG3 ARG 43 10.898 2.530 1.368 284 HD2 ARG 43 HD2 ARG 43 11.734 0.379 0.768 285 HD3 ARG 43 HD3 ARG 43 13.362 0.808 1.307 286 HE ARG 43 HE ARG 43 11.618 1.130 3.472 287 HH11 ARG 43 HH11 ARG 43 12.892 -1.510 1.531 288 HH12 ARG 43 HH12 ARG 43 12.795 -2.655 2.822 289 HH21 ARG 43 HH21 ARG 43 11.499 -0.357 5.144 290 HH22 ARG 43 HH22 ARG 43 11.992 -2.007 4.892 291 H GLY 44 H GLY 44 14.524 5.880 -0.315 292 HA2 GLY 44 HA2 GLY 44 15.506 7.071 -2.037 293 HA3 GLY 44 HA3 GLY 44 15.014 5.716 -3.044 294 H GLY 45 H GLY 45 13.046 8.128 -1.315 295 HA2 GLY 45 HA2 GLY 45 11.561 9.696 -2.088 296 HA3 GLY 45 HA3 GLY 45 12.272 9.519 -3.681 297 H ARG 46 H ARG 46 11.533 6.504 -3.035 298 HA ARG 46 HA ARG 46 9.041 6.691 -4.517 299 HB2 ARG 46 HB2 ARG 46 10.699 4.297 -3.794 300 HB3 ARG 46 HB3 ARG 46 9.335 4.308 -4.904 301 HG2 ARG 46 HG2 ARG 46 11.874 5.876 -5.308 302 HG3 ARG 46 HG3 ARG 46 11.564 4.288 -6.014 303 HD2 ARG 46 HD2 ARG 46 11.064 5.896 -7.687 304 HD3 ARG 46 HD3 ARG 46 9.518 5.300 -7.089 305 HE ARG 46 HE ARG 46 10.520 7.729 -5.856 306 HH11 ARG 46 HH11 ARG 46 8.497 6.361 -8.369 307 HH12 ARG 46 HH12 ARG 46 7.489 7.759 -8.500 308 HH21 ARG 46 HH21 ARG 46 9.217 9.572 -6.016 309 HH22 ARG 46 HH22 ARG 46 7.898 9.616 -7.136 310 HA PRO 47 HA PRO 47 6.830 5.797 -0.676 311 HB2 PRO 47 HB2 PRO 47 4.446 6.135 -2.321 312 HB3 PRO 47 HB3 PRO 47 4.996 7.092 -0.940 313 HG2 PRO 47 HG2 PRO 47 4.981 8.054 -3.480 314 HG3 PRO 47 HG3 PRO 47 6.146 8.576 -2.251 315 HD2 PRO 47 HD2 PRO 47 6.489 6.622 -4.485 316 HD3 PRO 47 HD3 PRO 47 7.615 7.858 -3.875 317 H THR 48 H THR 48 7.003 3.643 -0.350 318 HA THR 48 HA THR 48 5.715 1.849 -2.290 319 HB THR 48 HB THR 48 8.191 1.255 -0.648 320 HG1 THR 48 HG1 THR 48 8.509 3.002 -2.173 321 HG21 THR 48 HG21 THR 48 6.969 -0.708 -1.484 322 HG22 THR 48 HG22 THR 48 8.537 -0.536 -2.271 323 HG23 THR 48 HG23 THR 48 7.065 -0.066 -3.125 324 H CYS 49 H CYS 49 4.817 -0.111 -1.409 325 HA CYS 49 HA CYS 49 4.007 0.090 1.365 326 HB2 CYS 49 HB2 CYS 49 2.233 -0.449 -0.139 327 HB3 CYS 49 HB3 CYS 49 3.186 -1.687 -0.943 328 H VAL 50 H VAL 50 5.414 -0.739 2.805 329 HA VAL 50 HA VAL 50 6.875 -3.129 1.979 330 HB VAL 50 HB VAL 50 8.626 -2.586 3.599 331 HG11 VAL 50 HG11 VAL 50 8.871 -1.739 1.340 332 HG12 VAL 50 HG12 VAL 50 9.540 -0.587 2.499 333 HG13 VAL 50 HG13 VAL 50 7.965 -0.286 1.766 334 HG21 VAL 50 HG21 VAL 50 8.645 -0.437 4.759 335 HG22 VAL 50 HG22 VAL 50 7.275 -1.433 5.254 336 HG23 VAL 50 HG23 VAL 50 7.031 -0.090 4.138 337 H CYS 51 H CYS 51 6.563 -4.950 3.004 338 HA CYS 51 HA CYS 51 4.652 -4.951 5.193 339 HB2 CYS 51 HB2 CYS 51 5.746 -7.322 3.689 340 HB3 CYS 51 HB3 CYS 51 4.356 -7.281 4.754 341 H SER 52 H SER 52 4.957 -6.004 7.114 342 HA SER 52 HA SER 52 7.730 -6.712 7.765 343 HB2 SER 52 HB2 SER 52 5.795 -5.298 9.616 344 HB3 SER 52 HB3 SER 52 7.497 -5.639 9.919 345 HG SER 52 HG SER 52 7.695 -4.336 7.801 346 H ARG 53 H ARG 53 7.958 -8.321 9.381 347 HA ARG 53 HA ARG 53 7.515 -10.310 10.345 348 HB2 ARG 53 HB2 ARG 53 4.787 -9.071 10.721 349 HB3 ARG 53 HB3 ARG 53 5.286 -10.586 11.453 350 HG2 ARG 53 HG2 ARG 53 6.660 -7.946 11.912 351 HG3 ARG 53 HG3 ARG 53 5.423 -8.624 12.969 352 HD2 ARG 53 HD2 ARG 53 7.552 -9.152 13.925 353 HD3 ARG 53 HD3 ARG 53 6.889 -10.640 13.257 354 HE ARG 53 HE ARG 53 8.848 -9.063 11.719 355 HH11 ARG 53 HH11 ARG 53 7.965 -12.050 13.350 356 HH12 ARG 53 HH12 ARG 53 9.317 -12.935 12.747 357 HH21 ARG 53 HH21 ARG 53 10.662 -10.250 10.926 358 HH22 ARG 53 HH22 ARG 53 10.850 -11.913 11.363 359 H CYS 54 H CYS 54 7.647 -10.572 7.801 360 HA CYS 54 HA CYS 54 5.284 -11.960 6.798 361 HB2 CYS 54 HB2 CYS 54 7.942 -11.405 5.463 362 HB3 CYS 54 HB3 CYS 54 6.547 -12.141 4.683 363 H GLY 55 H GLY 55 5.494 -14.185 5.907 364 HA2 GLY 55 HA2 GLY 55 6.740 -15.859 7.825 365 HA3 GLY 55 HA3 GLY 55 5.952 -16.370 6.335 366 H ASN 56 H ASN 56 7.287 -15.416 4.347 367 HA ASN 56 HA ASN 56 9.099 -15.669 3.027 368 HB2 ASN 56 HB2 ASN 56 9.951 -13.857 4.556 369 HB3 ASN 56 HB3 ASN 56 10.734 -15.106 5.512 370 HD21 ASN 56 HD21 ASN 56 11.900 -12.871 4.098 371 HD22 ASN 56 HD22 ASN 56 13.031 -13.539 2.974 372 H GLY 57 H GLY 57 8.515 -17.886 2.839 373 HA2 GLY 57 HA2 GLY 57 10.696 -19.635 3.419 374 HA3 GLY 57 HA3 GLY 57 9.249 -20.018 4.348 375 H GLY 58 H GLY 58 10.074 -19.091 1.045 376 HA2 GLY 58 HA2 GLY 58 7.825 -20.533 -0.033 377 HA3 GLY 58 HA3 GLY 58 9.068 -19.701 -0.956 378 H GLY 59 H GLY 59 8.262 -22.659 0.733 379 HA2 GLY 59 HA2 GLY 59 9.375 -24.342 -1.165 380 HA3 GLY 59 HA3 GLY 59 10.617 -24.063 0.047 381 H GLU 60 H GLU 60 9.851 -26.558 -0.265 382 HA GLU 60 HA GLU 60 7.698 -27.240 1.544 383 HB2 GLU 60 HB2 GLU 60 9.685 -29.007 0.122 384 HB3 GLU 60 HB3 GLU 60 8.244 -29.545 0.967 385 HG2 GLU 60 HG2 GLU 60 6.866 -28.314 -0.642 386 HG3 GLU 60 HG3 GLU 60 8.331 -27.844 -1.505 387 H TRP 61 H TRP 61 11.159 -27.117 1.439 388 HA TRP 61 HA TRP 61 11.253 -27.851 4.281 389 HB2 TRP 61 HB2 TRP 61 13.295 -28.551 2.159 390 HB3 TRP 61 HB3 TRP 61 13.444 -28.901 3.878 391 HD1 TRP 61 HD1 TRP 61 11.463 -30.613 4.861 392 HE1 TRP 61 HE1 TRP 61 10.435 -32.682 3.735 393 HE3 TRP 61 HE3 TRP 61 12.721 -29.592 0.020 394 HZ2 TRP 61 HZ2 TRP 61 10.190 -33.741 1.132 395 HZ3 TRP 61 HZ3 TRP 61 12.052 -31.187 -1.731 396 HH2 TRP 61 HH2 TRP 61 10.816 -33.216 -1.184 397 HA PRO 62 HA PRO 62 12.968 -23.659 3.849 398 HB2 PRO 62 HB2 PRO 62 12.277 -22.829 6.338 399 HB3 PRO 62 HB3 PRO 62 11.153 -22.813 4.974 400 HG2 PRO 62 HG2 PRO 62 11.399 -24.784 7.204 401 HG3 PRO 62 HG3 PRO 62 9.939 -24.129 6.443 402 HD2 PRO 62 HD2 PRO 62 10.957 -26.593 5.867 403 HD3 PRO 62 HD3 PRO 62 10.020 -25.631 4.709 404 H ASN 63 H ASN 63 13.378 -25.927 6.588 405 HA ASN 63 HA ASN 63 15.865 -24.646 7.311 406 HB2 ASN 63 HB2 ASN 63 14.465 -27.043 8.507 407 HB3 ASN 63 HB3 ASN 63 15.894 -26.261 9.170 408 HD21 ASN 63 HD21 ASN 63 14.940 -23.580 8.484 409 HD22 ASN 63 HD22 ASN 63 13.696 -23.212 9.626 410 H LEU 64 H LEU 64 14.771 -27.417 5.506 411 HA LEU 64 HA LEU 64 15.839 -28.865 4.186 412 HB2 LEU 64 HB2 LEU 64 18.323 -27.279 4.846 413 HB3 LEU 64 HB3 LEU 64 18.251 -28.567 3.661 414 HG LEU 64 HG LEU 64 16.694 -25.984 3.500 415 HD11 LEU 64 HD11 LEU 64 18.249 -25.405 1.701 416 HD12 LEU 64 HD12 LEU 64 19.169 -26.874 2.026 417 HD13 LEU 64 HD13 LEU 64 19.081 -25.599 3.243 418 HD21 LEU 64 HD21 LEU 64 15.561 -27.817 2.376 419 HD22 LEU 64 HD22 LEU 64 17.048 -28.244 1.529 420 HD23 LEU 64 HD23 LEU 64 16.249 -26.710 1.188 421 HA PRO 65 HA PRO 65 17.150 -31.387 7.726 422 HB2 PRO 65 HB2 PRO 65 15.230 -33.242 7.567 423 HB3 PRO 65 HB3 PRO 65 14.903 -31.650 8.258 424 HG2 PRO 65 HG2 PRO 65 14.130 -32.752 5.610 425 HG3 PRO 65 HG3 PRO 65 13.288 -31.571 6.625 426 HD2 PRO 65 HD2 PRO 65 14.950 -31.031 4.389 427 HD3 PRO 65 HD3 PRO 65 14.280 -29.850 5.527 428 H SER 66 H SER 66 18.823 -31.573 5.822 429 HA SER 66 HA SER 66 19.125 -34.362 5.252 430 HB2 SER 66 HB2 SER 66 18.844 -32.404 2.954 431 HB3 SER 66 HB3 SER 66 19.355 -34.085 2.802 432 HG SER 66 HG SER 66 17.070 -33.990 4.188 433 H ARG 67 H ARG 67 21.259 -34.839 4.425 434 HA ARG 67 HA ARG 67 23.223 -32.937 5.372 435 HB2 ARG 67 HB2 ARG 67 23.458 -35.731 4.262 436 HB3 ARG 67 HB3 ARG 67 24.844 -34.764 4.738 437 HG2 ARG 67 HG2 ARG 67 24.049 -34.695 7.018 438 HG3 ARG 67 HG3 ARG 67 22.596 -35.582 6.555 439 HD2 ARG 67 HD2 ARG 67 24.264 -37.054 7.585 440 HD3 ARG 67 HD3 ARG 67 23.943 -37.496 5.910 441 HE ARG 67 HE ARG 67 26.179 -35.727 6.173 442 HH11 ARG 67 HH11 ARG 67 25.197 -39.093 6.392 443 HH12 ARG 67 HH12 ARG 67 26.773 -39.710 6.038 444 HH21 ARG 67 HH21 ARG 67 28.285 -36.555 5.720 445 HH22 ARG 67 HH22 ARG 67 28.529 -38.265 5.662 446 H GLY 68 H GLY 68 22.827 -34.801 2.369 447 HA2 GLY 68 HA2 GLY 68 22.822 -33.023 0.438 448 HA3 GLY 68 HA3 GLY 68 24.490 -32.874 0.984 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 1.965 2.033 -18.724 2 H2 GLY 1 H2 GLY 1 2.978 3.327 -19.128 3 H3 GLY 1 H3 GLY 1 2.735 2.067 -20.228 4 HA2 GLY 1 HA2 GLY 1 1.474 4.023 -20.851 5 HA3 GLY 1 HA3 GLY 1 0.436 2.652 -20.481 6 H SER 2 H SER 2 -1.308 3.264 -19.443 7 HA SER 2 HA SER 2 -1.128 5.570 -17.657 8 HB2 SER 2 HB2 SER 2 -3.597 4.253 -18.800 9 HB3 SER 2 HB3 SER 2 -3.527 5.778 -17.914 10 HG SER 2 HG SER 2 -2.131 5.301 -20.334 11 H ALA 3 H ALA 3 -0.337 4.608 -15.812 12 HA ALA 3 HA ALA 3 -2.226 2.803 -14.457 13 HB1 ALA 3 HB1 ALA 3 0.762 2.989 -14.036 14 HB2 ALA 3 HB2 ALA 3 -0.067 1.706 -14.913 15 HB3 ALA 3 HB3 ALA 3 -0.341 1.911 -13.183 16 H LEU 4 H LEU 4 -3.033 3.509 -12.571 17 HA LEU 4 HA LEU 4 -2.551 6.240 -11.874 18 HB2 LEU 4 HB2 LEU 4 -4.351 6.059 -10.326 19 HB3 LEU 4 HB3 LEU 4 -4.809 5.216 -11.787 20 HG LEU 4 HG LEU 4 -3.780 3.791 -9.330 21 HD11 LEU 4 HD11 LEU 4 -6.641 4.342 -10.128 22 HD12 LEU 4 HD12 LEU 4 -5.795 5.038 -8.748 23 HD13 LEU 4 HD13 LEU 4 -6.119 3.306 -8.797 24 HD21 LEU 4 HD21 LEU 4 -5.265 2.880 -11.797 25 HD22 LEU 4 HD22 LEU 4 -5.029 1.885 -10.364 26 HD23 LEU 4 HD23 LEU 4 -3.635 2.427 -11.293 27 H ASP 5 H ASP 5 -1.882 3.139 -10.282 28 HA ASP 5 HA ASP 5 0.120 4.527 -8.718 29 HB2 ASP 5 HB2 ASP 5 -0.564 3.628 -6.608 30 HB3 ASP 5 HB3 ASP 5 -1.953 4.437 -7.316 31 H PHE 6 H PHE 6 1.795 3.192 -7.949 32 HA PHE 6 HA PHE 6 1.935 0.627 -9.348 33 HB2 PHE 6 HB2 PHE 6 4.385 0.908 -9.322 34 HB3 PHE 6 HB3 PHE 6 3.600 2.252 -10.132 35 HD1 PHE 6 HD2 PHE 6 3.180 4.373 -8.651 36 HD2 PHE 6 HD1 PHE 6 5.982 1.311 -7.715 37 HE1 PHE 6 HE2 PHE 6 4.392 5.935 -7.190 38 HE2 PHE 6 HE1 PHE 6 7.197 2.868 -6.253 39 HZ PHE 6 HZ PHE 6 6.406 5.181 -5.986 40 H THR 7 H THR 7 2.327 2.270 -6.300 41 HA THR 7 HA THR 7 2.670 -0.320 -4.977 42 HB THR 7 HB THR 7 3.675 1.123 -3.099 43 HG1 THR 7 HG1 THR 7 4.468 3.124 -3.735 44 HG21 THR 7 HG21 THR 7 5.912 1.092 -4.131 45 HG22 THR 7 HG22 THR 7 5.173 0.839 -5.712 46 HG23 THR 7 HG23 THR 7 5.028 -0.397 -4.464 47 H SER 8 H SER 8 1.545 -0.583 -2.989 48 HA SER 8 HA SER 8 -1.061 0.441 -2.912 49 HB2 SER 8 HB2 SER 8 0.450 -0.749 -0.580 50 HB3 SER 8 HB3 SER 8 -1.294 -0.742 -0.833 51 HG SER 8 HG SER 8 -0.032 -2.725 -1.378 52 H CYS 9 H CYS 9 1.865 1.828 -1.786 53 HA CYS 9 HA CYS 9 0.417 3.507 0.120 54 HB2 CYS 9 HB2 CYS 9 3.289 2.710 -0.026 55 HB3 CYS 9 HB3 CYS 9 2.726 4.031 0.994 56 H ALA 10 H ALA 10 1.046 3.867 -2.956 57 HA ALA 10 HA ALA 10 2.530 6.246 -3.162 58 HB1 ALA 10 HB1 ALA 10 1.890 4.854 -5.093 59 HB2 ALA 10 HB2 ALA 10 1.448 6.547 -5.328 60 HB3 ALA 10 HB3 ALA 10 0.214 5.364 -4.892 61 H ARG 11 H ARG 11 -0.828 5.684 -2.373 62 HA ARG 11 HA ARG 11 -1.657 8.343 -2.557 63 HB2 ARG 11 HB2 ARG 11 -3.642 7.632 -1.149 64 HB3 ARG 11 HB3 ARG 11 -3.424 6.832 -2.690 65 HG2 ARG 11 HG2 ARG 11 -2.379 5.553 -0.213 66 HG3 ARG 11 HG3 ARG 11 -4.104 5.503 -0.558 67 HD2 ARG 11 HD2 ARG 11 -1.846 4.357 -2.199 68 HD3 ARG 11 HD3 ARG 11 -3.176 3.512 -1.430 69 HE ARG 11 HE ARG 11 -4.355 5.237 -3.224 70 HH11 ARG 11 HH11 ARG 11 -2.083 2.568 -3.360 71 HH12 ARG 11 HH12 ARG 11 -2.495 2.109 -4.975 72 HH21 ARG 11 HH21 ARG 11 -4.940 4.619 -5.378 73 HH22 ARG 11 HH22 ARG 11 -4.134 3.284 -6.134 74 H MET 12 H MET 12 0.456 7.038 -0.346 75 HA MET 12 HA MET 12 -0.192 8.266 2.074 76 HB2 MET 12 HB2 MET 12 2.127 8.167 2.672 77 HB3 MET 12 HB3 MET 12 1.774 6.742 1.700 78 HG2 MET 12 HG2 MET 12 2.955 7.533 -0.125 79 HG3 MET 12 HG3 MET 12 2.884 9.203 0.417 80 HE1 MET 12 HE1 MET 12 5.638 5.990 2.292 81 HE2 MET 12 HE2 MET 12 4.435 5.673 1.040 82 HE3 MET 12 HE3 MET 12 3.922 6.089 2.678 83 H ASN 13 H ASN 13 0.531 9.777 -0.944 84 HA ASN 13 HA ASN 13 0.900 12.325 0.449 85 HB2 ASN 13 HB2 ASN 13 2.223 13.096 -1.546 86 HB3 ASN 13 HB3 ASN 13 3.020 11.858 -0.586 87 HD21 ASN 13 HD21 ASN 13 3.501 9.939 -1.496 88 HD22 ASN 13 HD22 ASN 13 3.215 9.552 -3.155 89 H ASP 14 H ASP 14 -1.478 10.894 -0.493 90 HA ASP 14 HA ASP 14 -2.423 12.430 -2.804 91 HB2 ASP 14 HB2 ASP 14 -2.933 9.982 -2.592 92 HB3 ASP 14 HB3 ASP 14 -3.849 10.334 -1.141 93 H GLY 15 H GLY 15 -2.048 13.052 0.325 94 HA2 GLY 15 HA2 GLY 15 -3.102 15.181 1.030 95 HA3 GLY 15 HA3 GLY 15 -4.632 14.406 0.631 96 H ALA 16 H ALA 16 -5.196 14.845 2.838 97 HA ALA 16 HA ALA 16 -3.762 13.608 5.003 98 HB1 ALA 16 HB1 ALA 16 -5.144 15.615 5.339 99 HB2 ALA 16 HB2 ALA 16 -5.641 14.289 6.387 100 HB3 ALA 16 HB3 ALA 16 -6.586 14.679 4.949 101 H LEU 17 H LEU 17 -6.718 12.988 3.257 102 HA LEU 17 HA LEU 17 -7.472 10.600 4.546 103 HB2 LEU 17 HB2 LEU 17 -8.599 12.264 2.701 104 HB3 LEU 17 HB3 LEU 17 -8.184 10.889 1.703 105 HG LEU 17 HG LEU 17 -10.498 10.762 2.457 106 HD11 LEU 17 HD11 LEU 17 -9.346 8.670 2.093 107 HD12 LEU 17 HD12 LEU 17 -10.478 8.521 3.437 108 HD13 LEU 17 HD13 LEU 17 -8.751 8.684 3.752 109 HD21 LEU 17 HD21 LEU 17 -11.051 10.455 4.815 110 HD22 LEU 17 HD22 LEU 17 -10.288 12.018 4.532 111 HD23 LEU 17 HD23 LEU 17 -9.362 10.702 5.250 112 H GLY 18 H GLY 18 -5.211 11.320 2.014 113 HA2 GLY 18 HA2 GLY 18 -5.073 8.817 0.728 114 HA3 GLY 18 HA3 GLY 18 -3.828 10.050 0.755 115 H ALA 19 H ALA 19 -3.308 10.141 3.573 116 HA ALA 19 HA ALA 19 -1.424 8.112 3.776 117 HB1 ALA 19 HB1 ALA 19 -2.672 9.743 5.982 118 HB2 ALA 19 HB2 ALA 19 -1.310 10.243 4.979 119 HB3 ALA 19 HB3 ALA 19 -1.146 8.865 6.068 120 H LYS 20 H LYS 20 -4.717 8.315 4.986 121 HA LYS 20 HA LYS 20 -4.542 5.951 6.570 122 HB2 LYS 20 HB2 LYS 20 -6.664 7.859 5.809 123 HB3 LYS 20 HB3 LYS 20 -7.209 6.223 6.148 124 HG2 LYS 20 HG2 LYS 20 -7.314 7.682 8.128 125 HG3 LYS 20 HG3 LYS 20 -6.238 6.306 8.361 126 HD2 LYS 20 HD2 LYS 20 -5.182 8.260 9.274 127 HD3 LYS 20 HD3 LYS 20 -4.316 7.796 7.810 128 HE2 LYS 20 HE2 LYS 20 -4.601 10.191 7.858 129 HE3 LYS 20 HE3 LYS 20 -5.581 9.510 6.562 130 HZ1 LYS 20 HZ1 LYS 20 -7.512 9.656 8.028 131 HZ2 LYS 20 HZ2 LYS 20 -6.807 11.166 7.772 132 HZ3 LYS 20 HZ3 LYS 20 -6.555 10.358 9.231 133 H VAL 21 H VAL 21 -5.602 6.687 3.307 134 HA VAL 21 HA VAL 21 -6.600 4.106 2.714 135 HB VAL 21 HB VAL 21 -5.389 6.130 0.816 136 HG11 VAL 21 HG11 VAL 21 -7.254 3.820 0.281 137 HG12 VAL 21 HG12 VAL 21 -5.536 3.867 -0.108 138 HG13 VAL 21 HG13 VAL 21 -6.650 4.969 -0.914 139 HG21 VAL 21 HG21 VAL 21 -7.722 6.795 0.370 140 HG22 VAL 21 HG22 VAL 21 -7.227 7.120 2.030 141 HG23 VAL 21 HG23 VAL 21 -8.255 5.729 1.673 142 H ALA 22 H ALA 22 -3.471 5.658 2.363 143 HA ALA 22 HA ALA 22 -2.099 3.668 0.988 144 HB1 ALA 22 HB1 ALA 22 -1.244 5.946 1.338 145 HB2 ALA 22 HB2 ALA 22 -0.067 4.718 1.800 146 HB3 ALA 22 HB3 ALA 22 -0.983 5.571 3.041 147 H GLN 23 H GLN 23 -2.194 4.247 4.496 148 HA GLN 23 HA GLN 23 -0.630 1.990 5.122 149 HB2 GLN 23 HB2 GLN 23 -1.062 2.424 7.382 150 HB3 GLN 23 HB3 GLN 23 -1.163 4.000 6.616 151 HG2 GLN 23 HG2 GLN 23 -3.605 3.825 6.615 152 HG3 GLN 23 HG3 GLN 23 -3.464 2.263 7.426 153 HE21 GLN 23 HE21 GLN 23 -2.824 2.187 9.559 154 HE22 GLN 23 HE22 GLN 23 -2.828 3.571 10.585 155 H ALA 24 H ALA 24 -4.119 2.434 4.830 156 HA ALA 24 HA ALA 24 -4.874 -0.090 5.841 157 HB1 ALA 24 HB1 ALA 24 -6.309 1.670 3.853 158 HB2 ALA 24 HB2 ALA 24 -6.440 1.777 5.609 159 HB3 ALA 24 HB3 ALA 24 -7.023 0.343 4.768 160 H ALA 25 H ALA 25 -4.326 1.087 2.560 161 HA ALA 25 HA ALA 25 -4.878 -1.342 1.233 162 HB1 ALA 25 HB1 ALA 25 -3.707 -0.347 -0.674 163 HB2 ALA 25 HB2 ALA 25 -3.087 0.933 0.370 164 HB3 ALA 25 HB3 ALA 25 -4.819 0.807 0.064 165 H CYS 26 H CYS 26 -1.953 0.030 2.663 166 HA CYS 26 HA CYS 26 -0.119 -1.835 1.618 167 HB2 CYS 26 HB2 CYS 26 0.524 0.339 2.594 168 HB3 CYS 26 HB3 CYS 26 0.016 -0.234 4.179 169 H ILE 27 H ILE 27 -1.741 -1.601 4.745 170 HA ILE 27 HA ILE 27 -0.687 -3.913 5.888 171 HB ILE 27 HB ILE 27 -3.393 -2.630 6.333 172 HG12 ILE 27 HG12 ILE 27 -0.913 -2.415 8.048 173 HG13 ILE 27 HG13 ILE 27 -1.327 -1.248 6.802 174 HG21 ILE 27 HG21 ILE 27 -3.518 -4.887 7.123 175 HG22 ILE 27 HG22 ILE 27 -3.376 -3.820 8.521 176 HG23 ILE 27 HG23 ILE 27 -1.974 -4.734 7.960 177 HD11 ILE 27 HD11 ILE 27 -3.404 -0.742 7.984 178 HD12 ILE 27 HD12 ILE 27 -1.986 -0.461 8.990 179 HD13 ILE 27 HD13 ILE 27 -2.970 -1.905 9.238 180 H SER 28 H SER 28 -3.677 -3.432 4.019 181 HA SER 28 HA SER 28 -4.565 -6.069 4.130 182 HB2 SER 28 HB2 SER 28 -4.982 -4.091 1.888 183 HB3 SER 28 HB3 SER 28 -5.990 -5.487 2.278 184 HG SER 28 HG SER 28 -5.677 -3.066 3.698 185 H SER 29 H SER 29 -2.570 -4.427 1.635 186 HA SER 29 HA SER 29 -2.326 -6.668 -0.017 187 HB2 SER 29 HB2 SER 29 -0.363 -5.496 -1.012 188 HB3 SER 29 HB3 SER 29 -1.785 -4.466 -0.863 189 HG SER 29 HG SER 29 -0.334 -4.203 1.360 190 H CYS 30 H CYS 30 -0.548 -5.692 2.802 191 HA CYS 30 HA CYS 30 1.559 -7.564 2.532 192 HB2 CYS 30 HB2 CYS 30 0.420 -6.124 4.914 193 HB3 CYS 30 HB3 CYS 30 1.832 -7.175 5.018 194 H LYS 31 H LYS 31 -1.488 -7.612 4.311 195 HA LYS 31 HA LYS 31 -1.216 -10.143 5.442 196 HB2 LYS 31 HB2 LYS 31 -3.732 -8.686 4.629 197 HB3 LYS 31 HB3 LYS 31 -3.655 -10.043 5.746 198 HG2 LYS 31 HG2 LYS 31 -2.592 -8.775 7.405 199 HG3 LYS 31 HG3 LYS 31 -2.055 -7.572 6.247 200 HD2 LYS 31 HD2 LYS 31 -3.854 -6.718 7.655 201 HD3 LYS 31 HD3 LYS 31 -4.314 -6.772 5.952 202 HE2 LYS 31 HE2 LYS 31 -6.125 -7.512 7.378 203 HE3 LYS 31 HE3 LYS 31 -5.556 -8.835 6.365 204 HZ1 LYS 31 HZ1 LYS 31 -5.950 -9.560 8.634 205 HZ2 LYS 31 HZ2 LYS 31 -4.865 -8.415 9.227 206 HZ3 LYS 31 HZ3 LYS 31 -4.307 -9.688 8.270 207 H PHE 32 H PHE 32 -2.651 -9.168 2.311 208 HA PHE 32 HA PHE 32 -3.536 -11.643 1.468 209 HB2 PHE 32 HB2 PHE 32 -2.652 -9.143 0.106 210 HB3 PHE 32 HB3 PHE 32 -2.917 -10.577 -0.866 211 HD1 PHE 32 HD1 PHE 32 -4.650 -8.724 1.876 212 HD2 PHE 32 HD2 PHE 32 -4.988 -10.762 -1.839 213 HE1 PHE 32 HE1 PHE 32 -7.048 -8.211 1.819 214 HE2 PHE 32 HE2 PHE 32 -7.391 -10.254 -1.903 215 HZ PHE 32 HZ PHE 32 -8.426 -8.977 -0.073 216 H GLN 33 H GLN 33 -0.292 -10.257 1.315 217 HA GLN 33 HA GLN 33 0.652 -12.594 -0.148 218 HB2 GLN 33 HB2 GLN 33 2.794 -11.410 -0.341 219 HB3 GLN 33 HB3 GLN 33 1.455 -10.433 -0.916 220 HG2 GLN 33 HG2 GLN 33 1.469 -9.294 1.312 221 HG3 GLN 33 HG3 GLN 33 2.976 -10.144 1.654 222 HE21 GLN 33 HE21 GLN 33 1.440 -7.678 -0.196 223 HE22 GLN 33 HE22 GLN 33 2.877 -6.943 -0.819 224 H ASN 34 H ASN 34 -0.183 -12.469 2.773 225 HA ASN 34 HA ASN 34 0.218 -13.803 4.559 226 HB2 ASN 34 HB2 ASN 34 0.995 -15.467 2.860 227 HB3 ASN 34 HB3 ASN 34 2.633 -14.863 3.073 228 HD21 ASN 34 HD21 ASN 34 3.382 -16.846 3.812 229 HD22 ASN 34 HD22 ASN 34 2.995 -17.457 5.381 230 H CYS 35 H CYS 35 1.083 -11.197 4.577 231 HA CYS 35 HA CYS 35 3.490 -11.389 6.234 232 HB2 CYS 35 HB2 CYS 35 2.354 -9.076 4.678 233 HB3 CYS 35 HB3 CYS 35 3.672 -8.905 5.826 234 H GLY 36 H GLY 36 3.408 -10.728 8.289 235 HA2 GLY 36 HA2 GLY 36 1.006 -10.749 9.690 236 HA3 GLY 36 HA3 GLY 36 2.518 -10.129 10.325 237 H THR 37 H THR 37 2.865 -7.954 8.611 238 HA THR 37 HA THR 37 0.468 -6.357 8.672 239 HB THR 37 HB THR 37 1.202 -6.211 11.038 240 HG1 THR 37 HG1 THR 37 0.828 -4.063 11.137 241 HG21 THR 37 HG21 THR 37 3.614 -6.478 10.715 242 HG22 THR 37 HG22 THR 37 3.266 -4.996 11.603 243 HG23 THR 37 HG23 THR 37 3.686 -4.920 9.892 244 H GLY 38 H GLY 38 1.184 -3.966 8.270 245 HA2 GLY 38 HA2 GLY 38 3.458 -3.773 6.469 246 HA3 GLY 38 HA3 GLY 38 1.867 -3.573 5.719 247 H HIS 39 H HIS 39 4.059 -1.671 5.945 248 HA HIS 39 HA HIS 39 2.418 0.520 6.837 249 HB2 HIS 39 HB2 HIS 39 3.960 1.556 8.336 250 HB3 HIS 39 HB3 HIS 39 3.814 -0.108 8.870 251 HD1 HIS 39 HD1 HIS 39 5.950 -1.392 9.121 252 HD2 HIS 39 HD2 HIS 39 6.487 2.134 6.963 253 HE1 HIS 39 HE1 HIS 39 8.427 -1.134 8.845 254 HE2 HIS 39 HE2 HIS 39 8.719 1.145 7.780 255 H CYS 40 H CYS 40 3.074 2.512 5.951 256 HA CYS 40 HA CYS 40 4.359 2.069 3.410 257 HB2 CYS 40 HB2 CYS 40 3.102 4.579 4.500 258 HB3 CYS 40 HB3 CYS 40 3.580 4.254 2.830 259 H GLU 41 H GLU 41 6.376 2.430 2.998 260 HA GLU 41 HA GLU 41 7.829 4.455 4.554 261 HB2 GLU 41 HB2 GLU 41 8.239 1.965 5.177 262 HB3 GLU 41 HB3 GLU 41 9.053 1.861 3.632 263 HG2 GLU 41 HG2 GLU 41 10.709 2.183 5.250 264 HG3 GLU 41 HG3 GLU 41 10.536 3.725 4.411 265 H ARG 42 H ARG 42 9.114 5.756 3.246 266 HA ARG 42 HA ARG 42 8.831 5.312 0.406 267 HB2 ARG 42 HB2 ARG 42 9.913 7.609 2.008 268 HB3 ARG 42 HB3 ARG 42 10.108 7.525 0.264 269 HG2 ARG 42 HG2 ARG 42 7.690 7.393 0.006 270 HG3 ARG 42 HG3 ARG 42 7.495 7.531 1.758 271 HD2 ARG 42 HD2 ARG 42 7.149 9.694 0.972 272 HD3 ARG 42 HD3 ARG 42 8.833 9.715 1.496 273 HE ARG 42 HE ARG 42 8.799 9.055 -1.207 274 HH11 ARG 42 HH11 ARG 42 7.976 11.768 0.857 275 HH12 ARG 42 HH12 ARG 42 8.214 12.956 -0.374 276 HH21 ARG 42 HH21 ARG 42 9.103 10.638 -2.867 277 HH22 ARG 42 HH22 ARG 42 8.862 12.309 -2.500 278 H ARG 43 H ARG 43 10.201 4.473 -0.828 279 HA ARG 43 HA ARG 43 12.922 3.907 0.162 280 HB2 ARG 43 HB2 ARG 43 11.381 2.458 -2.010 281 HB3 ARG 43 HB3 ARG 43 12.947 2.003 -1.364 282 HG2 ARG 43 HG2 ARG 43 10.388 2.022 0.238 283 HG3 ARG 43 HG3 ARG 43 11.059 0.600 -0.557 284 HD2 ARG 43 HD2 ARG 43 11.734 0.469 1.705 285 HD3 ARG 43 HD3 ARG 43 13.156 0.989 0.806 286 HE ARG 43 HE ARG 43 11.760 3.241 1.768 287 HH11 ARG 43 HH11 ARG 43 13.733 0.603 2.941 288 HH12 ARG 43 HH12 ARG 43 14.346 1.494 4.288 289 HH21 ARG 43 HH21 ARG 43 12.594 4.434 3.530 290 HH22 ARG 43 HH22 ARG 43 13.710 3.682 4.615 291 H GLY 44 H GLY 44 14.217 5.431 -0.622 292 HA2 GLY 44 HA2 GLY 44 15.201 6.934 -2.071 293 HA3 GLY 44 HA3 GLY 44 14.849 5.734 -3.309 294 H GLY 45 H GLY 45 12.817 7.901 -1.324 295 HA2 GLY 45 HA2 GLY 45 11.366 9.556 -1.978 296 HA3 GLY 45 HA3 GLY 45 11.961 9.391 -3.620 297 H ARG 46 H ARG 46 11.245 6.394 -3.240 298 HA ARG 46 HA ARG 46 8.600 6.712 -4.406 299 HB2 ARG 46 HB2 ARG 46 10.391 4.302 -4.139 300 HB3 ARG 46 HB3 ARG 46 8.842 4.312 -4.970 301 HG2 ARG 46 HG2 ARG 46 11.109 6.124 -5.712 302 HG3 ARG 46 HG3 ARG 46 10.884 4.521 -6.430 303 HD2 ARG 46 HD2 ARG 46 8.607 5.229 -7.130 304 HD3 ARG 46 HD3 ARG 46 8.956 6.840 -6.514 305 HE ARG 46 HE ARG 46 10.890 5.908 -8.407 306 HH11 ARG 46 HH11 ARG 46 7.799 7.515 -8.030 307 HH12 ARG 46 HH12 ARG 46 7.836 8.260 -9.588 308 HH21 ARG 46 HH21 ARG 46 10.964 6.913 -10.469 309 HH22 ARG 46 HH22 ARG 46 9.669 7.935 -10.976 310 HA PRO 47 HA PRO 47 6.769 5.727 -0.369 311 HB2 PRO 47 HB2 PRO 47 4.340 5.925 -2.037 312 HB3 PRO 47 HB3 PRO 47 4.741 6.739 -0.522 313 HG2 PRO 47 HG2 PRO 47 4.738 8.069 -2.831 314 HG3 PRO 47 HG3 PRO 47 5.935 8.407 -1.568 315 HD2 PRO 47 HD2 PRO 47 6.237 6.864 -4.102 316 HD3 PRO 47 HD3 PRO 47 7.370 7.974 -3.293 317 H THR 48 H THR 48 7.363 3.558 -0.240 318 HA THR 48 HA THR 48 5.811 1.680 -1.866 319 HB THR 48 HB THR 48 8.332 1.079 -0.308 320 HG1 THR 48 HG1 THR 48 8.418 2.821 -2.045 321 HG21 THR 48 HG21 THR 48 7.014 -0.860 -1.062 322 HG22 THR 48 HG22 THR 48 8.549 -0.756 -1.926 323 HG23 THR 48 HG23 THR 48 7.057 -0.245 -2.714 324 H CYS 49 H CYS 49 5.016 -0.221 -0.856 325 HA CYS 49 HA CYS 49 4.283 0.134 1.938 326 HB2 CYS 49 HB2 CYS 49 2.424 -0.387 0.515 327 HB3 CYS 49 HB3 CYS 49 3.296 -1.710 -0.246 328 H VAL 50 H VAL 50 5.749 -0.664 3.296 329 HA VAL 50 HA VAL 50 7.166 -3.077 2.467 330 HB VAL 50 HB VAL 50 8.911 -2.547 4.076 331 HG11 VAL 50 HG11 VAL 50 9.050 -1.530 1.849 332 HG12 VAL 50 HG12 VAL 50 9.788 -0.504 3.077 333 HG13 VAL 50 HG13 VAL 50 8.190 -0.110 2.446 334 HG21 VAL 50 HG21 VAL 50 8.887 -0.485 5.374 335 HG22 VAL 50 HG22 VAL 50 7.533 -1.533 5.805 336 HG23 VAL 50 HG23 VAL 50 7.266 -0.126 4.776 337 H CYS 51 H CYS 51 6.701 -4.907 3.362 338 HA CYS 51 HA CYS 51 4.824 -4.929 5.578 339 HB2 CYS 51 HB2 CYS 51 5.705 -7.230 3.849 340 HB3 CYS 51 HB3 CYS 51 4.335 -7.182 4.946 341 H SER 52 H SER 52 5.030 -6.358 7.314 342 HA SER 52 HA SER 52 7.760 -7.267 7.890 343 HB2 SER 52 HB2 SER 52 5.849 -6.004 9.871 344 HB3 SER 52 HB3 SER 52 7.487 -6.566 10.207 345 HG SER 52 HG SER 52 8.285 -4.961 8.852 346 H ARG 53 H ARG 53 7.865 -9.100 9.296 347 HA ARG 53 HA ARG 53 7.276 -11.158 10.006 348 HB2 ARG 53 HB2 ARG 53 4.567 -9.852 10.349 349 HB3 ARG 53 HB3 ARG 53 4.955 -11.466 10.923 350 HG2 ARG 53 HG2 ARG 53 6.567 -9.094 11.792 351 HG3 ARG 53 HG3 ARG 53 5.040 -9.494 12.577 352 HD2 ARG 53 HD2 ARG 53 6.990 -10.433 13.765 353 HD3 ARG 53 HD3 ARG 53 5.883 -11.676 13.195 354 HE ARG 53 HE ARG 53 7.466 -12.154 11.415 355 HH11 ARG 53 HH11 ARG 53 8.689 -10.210 14.080 356 HH12 ARG 53 HH12 ARG 53 10.334 -10.669 13.817 357 HH21 ARG 53 HH21 ARG 53 9.633 -12.750 11.075 358 HH22 ARG 53 HH22 ARG 53 10.877 -12.100 12.085 359 H CYS 54 H CYS 54 7.522 -10.977 7.372 360 HA CYS 54 HA CYS 54 5.197 -12.195 6.098 361 HB2 CYS 54 HB2 CYS 54 7.886 -11.399 4.958 362 HB3 CYS 54 HB3 CYS 54 6.527 -12.010 4.022 363 H GLY 55 H GLY 55 6.005 -14.049 4.404 364 HA2 GLY 55 HA2 GLY 55 6.770 -16.220 6.033 365 HA3 GLY 55 HA3 GLY 55 6.606 -16.232 4.282 366 H ASN 56 H ASN 56 8.725 -16.452 6.825 367 HA ASN 56 HA ASN 56 10.995 -16.562 5.056 368 HB2 ASN 56 HB2 ASN 56 12.383 -14.945 6.164 369 HB3 ASN 56 HB3 ASN 56 10.874 -14.130 5.775 370 HD21 ASN 56 HD21 ASN 56 12.948 -15.273 8.283 371 HD22 ASN 56 HD22 ASN 56 12.091 -14.570 9.609 372 H GLY 57 H GLY 57 12.705 -17.776 5.936 373 HA2 GLY 57 HA2 GLY 57 11.867 -19.564 8.033 374 HA3 GLY 57 HA3 GLY 57 13.374 -19.640 7.130 375 H GLY 58 H GLY 58 11.882 -18.736 10.041 376 HA2 GLY 58 HA2 GLY 58 13.834 -16.865 10.960 377 HA3 GLY 58 HA3 GLY 58 12.659 -17.712 11.956 378 H GLY 59 H GLY 59 13.176 -19.828 12.722 379 HA2 GLY 59 HA2 GLY 59 14.599 -21.562 13.314 380 HA3 GLY 59 HA3 GLY 59 15.862 -20.825 12.341 381 H GLU 60 H GLU 60 16.890 -18.841 13.264 382 HA GLU 60 HA GLU 60 16.722 -18.439 16.088 383 HB2 GLU 60 HB2 GLU 60 19.046 -19.111 16.572 384 HB3 GLU 60 HB3 GLU 60 18.045 -20.474 16.103 385 HG2 GLU 60 HG2 GLU 60 19.006 -20.404 13.856 386 HG3 GLU 60 HG3 GLU 60 20.009 -19.036 14.330 387 H TRP 61 H TRP 61 18.937 -17.094 16.654 388 HA TRP 61 HA TRP 61 19.471 -15.250 14.441 389 HB2 TRP 61 HB2 TRP 61 18.711 -14.462 17.253 390 HB3 TRP 61 HB3 TRP 61 19.271 -13.358 16.006 391 HD1 TRP 61 HD1 TRP 61 16.208 -14.573 17.513 392 HE1 TRP 61 HE1 TRP 61 14.153 -14.069 16.035 393 HE3 TRP 61 HE3 TRP 61 18.611 -13.369 13.176 394 HZ2 TRP 61 HZ2 TRP 61 13.630 -13.264 13.384 395 HZ3 TRP 61 HZ3 TRP 61 17.268 -12.743 11.215 396 HH2 TRP 61 HH2 TRP 61 14.828 -12.691 11.317 397 HA PRO 62 HA PRO 62 23.623 -16.146 15.675 398 HB2 PRO 62 HB2 PRO 62 24.750 -13.823 14.634 399 HB3 PRO 62 HB3 PRO 62 24.484 -15.325 13.748 400 HG2 PRO 62 HG2 PRO 62 22.857 -12.837 13.795 401 HG3 PRO 62 HG3 PRO 62 23.175 -13.947 12.453 402 HD2 PRO 62 HD2 PRO 62 20.826 -13.922 13.759 403 HD3 PRO 62 HD3 PRO 62 21.528 -15.423 13.119 404 H ASN 63 H ASN 63 22.537 -12.727 16.173 405 HA ASN 63 HA ASN 63 23.799 -12.867 18.815 406 HB2 ASN 63 HB2 ASN 63 24.188 -10.675 16.770 407 HB3 ASN 63 HB3 ASN 63 24.621 -10.515 18.468 408 HD21 ASN 63 HD21 ASN 63 26.357 -11.675 19.268 409 HD22 ASN 63 HD22 ASN 63 27.539 -12.400 18.237 410 H LEU 64 H LEU 64 21.016 -12.943 17.762 411 HA LEU 64 HA LEU 64 18.940 -12.131 18.232 412 HB2 LEU 64 HB2 LEU 64 20.268 -10.936 20.661 413 HB3 LEU 64 HB3 LEU 64 18.571 -11.336 20.480 414 HG LEU 64 HG LEU 64 20.842 -13.327 20.575 415 HD11 LEU 64 HD11 LEU 64 19.908 -13.948 22.749 416 HD12 LEU 64 HD12 LEU 64 18.734 -12.640 22.618 417 HD13 LEU 64 HD13 LEU 64 20.455 -12.271 22.729 418 HD21 LEU 64 HD21 LEU 64 19.048 -15.007 20.722 419 HD22 LEU 64 HD22 LEU 64 19.019 -14.134 19.193 420 HD23 LEU 64 HD23 LEU 64 17.851 -13.739 20.453 421 HA PRO 65 HA PRO 65 19.605 -7.883 16.620 422 HB2 PRO 65 HB2 PRO 65 17.834 -8.026 14.613 423 HB3 PRO 65 HB3 PRO 65 19.429 -8.778 14.480 424 HG2 PRO 65 HG2 PRO 65 16.793 -10.037 15.141 425 HG3 PRO 65 HG3 PRO 65 18.064 -10.613 14.045 426 HD2 PRO 65 HD2 PRO 65 17.749 -11.538 16.593 427 HD3 PRO 65 HD3 PRO 65 19.307 -11.496 15.750 428 H SER 66 H SER 66 18.360 -7.920 18.929 429 HA SER 66 HA SER 66 15.538 -7.348 18.671 430 HB2 SER 66 HB2 SER 66 16.477 -8.578 20.648 431 HB3 SER 66 HB3 SER 66 17.334 -7.108 21.105 432 HG SER 66 HG SER 66 15.557 -6.523 22.076 433 H ARG 67 H ARG 67 14.633 -5.293 19.405 434 HA ARG 67 HA ARG 67 16.266 -3.081 18.537 435 HB2 ARG 67 HB2 ARG 67 13.928 -3.219 17.773 436 HB3 ARG 67 HB3 ARG 67 13.369 -3.207 19.436 437 HG2 ARG 67 HG2 ARG 67 14.998 -0.928 18.406 438 HG3 ARG 67 HG3 ARG 67 13.283 -1.037 18.013 439 HD2 ARG 67 HD2 ARG 67 12.625 -0.770 20.203 440 HD3 ARG 67 HD3 ARG 67 14.158 -1.367 20.839 441 HE ARG 67 HE ARG 67 15.001 0.845 19.750 442 HH11 ARG 67 HH11 ARG 67 12.013 0.378 21.526 443 HH12 ARG 67 HH12 ARG 67 11.969 1.992 22.134 444 HH21 ARG 67 HH21 ARG 67 14.963 2.992 20.574 445 HH22 ARG 67 HH22 ARG 67 13.665 3.488 21.599 446 H GLY 68 H GLY 68 14.667 -4.263 21.438 447 HA2 GLY 68 HA2 GLY 68 16.673 -3.104 23.096 448 HA3 GLY 68 HA3 GLY 68 15.142 -2.244 23.211 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 3.417 1.369 -18.294 2 H2 GLY 1 H2 GLY 1 2.926 2.375 -17.019 3 H3 GLY 1 H3 GLY 1 3.327 3.042 -18.517 4 HA2 GLY 1 HA2 GLY 1 1.453 1.971 -19.550 5 HA3 GLY 1 HA3 GLY 1 1.047 1.238 -18.006 6 H SER 2 H SER 2 -1.008 2.373 -18.583 7 HA SER 2 HA SER 2 -0.938 5.221 -17.960 8 HB2 SER 2 HB2 SER 2 -3.258 3.502 -18.862 9 HB3 SER 2 HB3 SER 2 -3.241 5.262 -18.748 10 HG SER 2 HG SER 2 -2.067 5.394 -20.523 11 H ALA 3 H ALA 3 -0.586 5.233 -15.738 12 HA ALA 3 HA ALA 3 -2.890 4.632 -14.121 13 HB1 ALA 3 HB1 ALA 3 -1.753 2.464 -14.164 14 HB2 ALA 3 HB2 ALA 3 -1.702 3.181 -12.556 15 HB3 ALA 3 HB3 ALA 3 -0.273 3.228 -13.586 16 H LEU 4 H LEU 4 -2.977 5.913 -12.381 17 HA LEU 4 HA LEU 4 -0.976 7.973 -12.128 18 HB2 LEU 4 HB2 LEU 4 -2.434 9.057 -10.542 19 HB3 LEU 4 HB3 LEU 4 -3.339 8.570 -11.950 20 HG LEU 4 HG LEU 4 -3.391 6.894 -9.459 21 HD11 LEU 4 HD11 LEU 4 -3.956 9.140 -8.751 22 HD12 LEU 4 HD12 LEU 4 -5.404 8.134 -8.786 23 HD13 LEU 4 HD13 LEU 4 -5.105 9.296 -10.078 24 HD21 LEU 4 HD21 LEU 4 -4.376 5.847 -11.385 25 HD22 LEU 4 HD22 LEU 4 -5.261 7.313 -11.790 26 HD23 LEU 4 HD23 LEU 4 -5.684 6.401 -10.345 27 H ASP 5 H ASP 5 -2.221 5.386 -10.105 28 HA ASP 5 HA ASP 5 -0.065 5.852 -8.191 29 HB2 ASP 5 HB2 ASP 5 -2.522 4.118 -8.116 30 HB3 ASP 5 HB3 ASP 5 -1.301 4.112 -6.842 31 H PHE 6 H PHE 6 1.742 4.650 -8.288 32 HA PHE 6 HA PHE 6 1.661 2.261 -9.979 33 HB2 PHE 6 HB2 PHE 6 4.027 2.480 -10.286 34 HB3 PHE 6 HB3 PHE 6 3.312 4.060 -10.566 35 HD1 PHE 6 HD2 PHE 6 3.314 5.642 -8.417 36 HD2 PHE 6 HD1 PHE 6 5.910 2.319 -9.008 37 HE1 PHE 6 HE2 PHE 6 4.916 6.608 -6.813 38 HE2 PHE 6 HE1 PHE 6 7.512 3.280 -7.412 39 HZ PHE 6 HZ PHE 6 7.024 5.419 -6.313 40 H THR 7 H THR 7 1.991 3.338 -6.785 41 HA THR 7 HA THR 7 2.635 0.615 -5.920 42 HB THR 7 HB THR 7 3.469 1.807 -3.787 43 HG1 THR 7 HG1 THR 7 4.275 3.932 -4.239 44 HG21 THR 7 HG21 THR 7 5.715 2.114 -4.738 45 HG22 THR 7 HG22 THR 7 5.030 2.046 -6.362 46 HG23 THR 7 HG23 THR 7 4.960 0.629 -5.315 47 H SER 8 H SER 8 1.623 -0.020 -3.884 48 HA SER 8 HA SER 8 -1.074 0.673 -3.688 49 HB2 SER 8 HB2 SER 8 0.569 -0.549 -1.474 50 HB3 SER 8 HB3 SER 8 -1.142 -0.804 -1.826 51 HG SER 8 HG SER 8 -0.476 -2.437 -2.956 52 H CYS 9 H CYS 9 1.768 2.032 -2.255 53 HA CYS 9 HA CYS 9 0.149 3.604 -0.402 54 HB2 CYS 9 HB2 CYS 9 3.057 2.888 -0.406 55 HB3 CYS 9 HB3 CYS 9 2.401 4.152 0.630 56 H ALA 10 H ALA 10 0.804 4.080 -3.395 57 HA ALA 10 HA ALA 10 2.324 6.445 -3.520 58 HB1 ALA 10 HB1 ALA 10 1.322 6.785 -5.710 59 HB2 ALA 10 HB2 ALA 10 0.069 5.602 -5.339 60 HB3 ALA 10 HB3 ALA 10 1.748 5.087 -5.490 61 H ARG 11 H ARG 11 -1.029 5.851 -2.725 62 HA ARG 11 HA ARG 11 -1.943 8.488 -2.875 63 HB2 ARG 11 HB2 ARG 11 -3.665 7.539 -1.084 64 HB3 ARG 11 HB3 ARG 11 -3.770 7.162 -2.793 65 HG2 ARG 11 HG2 ARG 11 -2.142 5.312 -1.185 66 HG3 ARG 11 HG3 ARG 11 -3.870 5.332 -0.826 67 HD2 ARG 11 HD2 ARG 11 -2.609 4.887 -3.534 68 HD3 ARG 11 HD3 ARG 11 -3.366 3.660 -2.519 69 HE ARG 11 HE ARG 11 -5.185 5.762 -3.030 70 HH11 ARG 11 HH11 ARG 11 -3.714 2.999 -4.609 71 HH12 ARG 11 HH12 ARG 11 -5.005 2.785 -5.732 72 HH21 ARG 11 HH21 ARG 11 -6.909 5.476 -4.521 73 HH22 ARG 11 HH22 ARG 11 -6.839 4.199 -5.676 74 H MET 12 H MET 12 0.292 7.186 -0.736 75 HA MET 12 HA MET 12 -0.294 8.530 1.660 76 HB2 MET 12 HB2 MET 12 1.986 8.267 2.288 77 HB3 MET 12 HB3 MET 12 1.611 6.872 1.289 78 HG2 MET 12 HG2 MET 12 2.857 7.650 -0.501 79 HG3 MET 12 HG3 MET 12 2.842 9.312 0.077 80 HE1 MET 12 HE1 MET 12 3.656 6.095 2.240 81 HE2 MET 12 HE2 MET 12 5.396 5.951 1.971 82 HE3 MET 12 HE3 MET 12 4.273 5.716 0.630 83 H ASN 13 H ASN 13 0.294 9.883 -1.430 84 HA ASN 13 HA ASN 13 1.410 12.362 -0.345 85 HB2 ASN 13 HB2 ASN 13 1.175 11.388 -3.206 86 HB3 ASN 13 HB3 ASN 13 1.911 12.902 -2.698 87 HD21 ASN 13 HD21 ASN 13 2.271 9.483 -2.958 88 HD22 ASN 13 HD22 ASN 13 3.945 9.430 -2.526 89 H ASP 14 H ASP 14 -1.434 11.270 -0.282 90 HA ASP 14 HA ASP 14 -2.749 13.399 -1.838 91 HB2 ASP 14 HB2 ASP 14 -3.270 10.956 -2.453 92 HB3 ASP 14 HB3 ASP 14 -4.049 10.825 -0.894 93 H GLY 15 H GLY 15 -1.528 13.498 0.830 94 HA2 GLY 15 HA2 GLY 15 -2.120 14.820 2.657 95 HA3 GLY 15 HA3 GLY 15 -3.814 14.595 2.242 96 H ALA 16 H ALA 16 -3.654 14.365 4.730 97 HA ALA 16 HA ALA 16 -2.690 12.026 5.902 98 HB1 ALA 16 HB1 ALA 16 -3.377 14.007 7.164 99 HB2 ALA 16 HB2 ALA 16 -4.177 12.550 7.753 100 HB3 ALA 16 HB3 ALA 16 -5.059 13.691 6.739 101 H LEU 17 H LEU 17 -5.688 12.699 4.216 102 HA LEU 17 HA LEU 17 -7.028 10.302 4.944 103 HB2 LEU 17 HB2 LEU 17 -7.812 12.560 3.693 104 HB3 LEU 17 HB3 LEU 17 -7.553 11.540 2.294 105 HG LEU 17 HG LEU 17 -9.902 11.564 2.989 106 HD11 LEU 17 HD11 LEU 17 -10.281 9.153 3.065 107 HD12 LEU 17 HD12 LEU 17 -8.570 8.899 3.411 108 HD13 LEU 17 HD13 LEU 17 -9.065 9.590 1.865 109 HD21 LEU 17 HD21 LEU 17 -9.561 11.926 5.383 110 HD22 LEU 17 HD22 LEU 17 -8.923 10.289 5.542 111 HD23 LEU 17 HD23 LEU 17 -10.604 10.538 5.081 112 H GLY 18 H GLY 18 -5.009 11.274 2.213 113 HA2 GLY 18 HA2 GLY 18 -5.053 8.884 0.738 114 HA3 GLY 18 HA3 GLY 18 -3.741 10.048 0.759 115 H ALA 19 H ALA 19 -2.952 9.925 3.381 116 HA ALA 19 HA ALA 19 -1.255 7.695 3.450 117 HB1 ALA 19 HB1 ALA 19 -0.787 9.741 4.699 118 HB2 ALA 19 HB2 ALA 19 -0.773 8.338 5.767 119 HB3 ALA 19 HB3 ALA 19 -2.163 9.423 5.752 120 H LYS 20 H LYS 20 -4.409 8.259 4.831 121 HA LYS 20 HA LYS 20 -4.551 5.917 6.413 122 HB2 LYS 20 HB2 LYS 20 -6.123 8.161 6.021 123 HB3 LYS 20 HB3 LYS 20 -7.098 6.866 5.346 124 HG2 LYS 20 HG2 LYS 20 -7.700 7.179 7.634 125 HG3 LYS 20 HG3 LYS 20 -6.863 5.635 7.476 126 HD2 LYS 20 HD2 LYS 20 -6.090 6.813 9.457 127 HD3 LYS 20 HD3 LYS 20 -4.790 6.697 8.273 128 HE2 LYS 20 HE2 LYS 20 -5.129 8.975 7.591 129 HE3 LYS 20 HE3 LYS 20 -6.567 9.110 8.603 130 HZ1 LYS 20 HZ1 LYS 20 -5.184 8.859 10.555 131 HZ2 LYS 20 HZ2 LYS 20 -4.614 10.143 9.614 132 HZ3 LYS 20 HZ3 LYS 20 -3.808 8.660 9.596 133 H VAL 21 H VAL 21 -5.730 6.721 3.161 134 HA VAL 21 HA VAL 21 -6.823 4.207 2.539 135 HB VAL 21 HB VAL 21 -5.556 6.181 0.605 136 HG11 VAL 21 HG11 VAL 21 -7.618 4.021 0.183 137 HG12 VAL 21 HG12 VAL 21 -5.952 4.010 -0.397 138 HG13 VAL 21 HG13 VAL 21 -7.100 5.189 -1.033 139 HG21 VAL 21 HG21 VAL 21 -8.393 6.033 1.627 140 HG22 VAL 21 HG22 VAL 21 -7.832 7.069 0.313 141 HG23 VAL 21 HG23 VAL 21 -7.221 7.315 1.949 142 H ALA 22 H ALA 22 -3.641 5.588 1.999 143 HA ALA 22 HA ALA 22 -2.445 3.508 0.596 144 HB1 ALA 22 HB1 ALA 22 -1.448 5.713 0.781 145 HB2 ALA 22 HB2 ALA 22 -0.311 4.480 1.332 146 HB3 ALA 22 HB3 ALA 22 -1.180 5.465 2.505 147 H GLN 23 H GLN 23 -2.355 4.145 4.108 148 HA GLN 23 HA GLN 23 -0.804 1.886 4.719 149 HB2 GLN 23 HB2 GLN 23 -1.236 2.305 6.999 150 HB3 GLN 23 HB3 GLN 23 -1.256 3.878 6.221 151 HG2 GLN 23 HG2 GLN 23 -3.697 3.847 6.228 152 HG3 GLN 23 HG3 GLN 23 -3.657 2.268 7.016 153 HE21 GLN 23 HE21 GLN 23 -3.045 2.125 9.159 154 HE22 GLN 23 HE22 GLN 23 -2.963 3.504 10.195 155 H ALA 24 H ALA 24 -4.300 2.314 4.520 156 HA ALA 24 HA ALA 24 -5.037 -0.210 5.534 157 HB1 ALA 24 HB1 ALA 24 -6.468 1.524 3.518 158 HB2 ALA 24 HB2 ALA 24 -6.631 1.622 5.272 159 HB3 ALA 24 HB3 ALA 24 -7.182 0.184 4.415 160 H ALA 25 H ALA 25 -4.433 0.940 2.257 161 HA ALA 25 HA ALA 25 -4.950 -1.491 0.924 162 HB1 ALA 25 HB1 ALA 25 -4.855 0.647 -0.252 163 HB2 ALA 25 HB2 ALA 25 -3.706 -0.498 -0.943 164 HB3 ALA 25 HB3 ALA 25 -3.139 0.787 0.123 165 H CYS 26 H CYS 26 -2.092 -0.152 2.494 166 HA CYS 26 HA CYS 26 -0.250 -2.013 1.427 167 HB2 CYS 26 HB2 CYS 26 0.360 0.220 2.336 168 HB3 CYS 26 HB3 CYS 26 -0.056 -0.357 3.947 169 H ILE 27 H ILE 27 -1.792 -1.696 4.620 170 HA ILE 27 HA ILE 27 -0.711 -3.969 5.806 171 HB ILE 27 HB ILE 27 -3.475 -2.818 6.243 172 HG12 ILE 27 HG12 ILE 27 -0.991 -2.269 7.865 173 HG13 ILE 27 HG13 ILE 27 -1.493 -1.243 6.533 174 HG21 ILE 27 HG21 ILE 27 -3.341 -3.858 8.459 175 HG22 ILE 27 HG22 ILE 27 -1.788 -4.575 8.022 176 HG23 ILE 27 HG23 ILE 27 -3.252 -5.050 7.164 177 HD11 ILE 27 HD11 ILE 27 -3.594 -0.780 7.686 178 HD12 ILE 27 HD12 ILE 27 -2.201 -0.338 8.672 179 HD13 ILE 27 HD13 ILE 27 -3.092 -1.823 9.017 180 H SER 28 H SER 28 -3.743 -3.629 4.016 181 HA SER 28 HA SER 28 -4.542 -6.283 4.263 182 HB2 SER 28 HB2 SER 28 -5.179 -4.444 1.958 183 HB3 SER 28 HB3 SER 28 -6.104 -5.845 2.511 184 HG SER 28 HG SER 28 -5.889 -3.290 3.622 185 H SER 29 H SER 29 -2.615 -4.727 1.677 186 HA SER 29 HA SER 29 -2.412 -7.011 0.051 187 HB2 SER 29 HB2 SER 29 -0.602 -5.874 -1.094 188 HB3 SER 29 HB3 SER 29 -1.845 -4.692 -0.688 189 HG SER 29 HG SER 29 -0.422 -4.356 1.287 190 H CYS 30 H CYS 30 -0.580 -5.953 2.838 191 HA CYS 30 HA CYS 30 1.521 -7.808 2.583 192 HB2 CYS 30 HB2 CYS 30 0.404 -6.324 4.955 193 HB3 CYS 30 HB3 CYS 30 1.888 -7.272 5.006 194 H LYS 31 H LYS 31 -1.489 -7.839 4.446 195 HA LYS 31 HA LYS 31 -1.250 -10.310 5.662 196 HB2 LYS 31 HB2 LYS 31 -3.799 -9.156 4.535 197 HB3 LYS 31 HB3 LYS 31 -3.650 -10.275 5.880 198 HG2 LYS 31 HG2 LYS 31 -2.826 -8.627 7.322 199 HG3 LYS 31 HG3 LYS 31 -2.352 -7.588 5.986 200 HD2 LYS 31 HD2 LYS 31 -4.230 -6.489 6.566 201 HD3 LYS 31 HD3 LYS 31 -4.954 -7.679 5.494 202 HE2 LYS 31 HE2 LYS 31 -4.769 -7.935 8.493 203 HE3 LYS 31 HE3 LYS 31 -6.191 -7.415 7.591 204 HZ1 LYS 31 HZ1 LYS 31 -4.896 -10.078 7.323 205 HZ2 LYS 31 HZ2 LYS 31 -6.311 -9.569 6.549 206 HZ3 LYS 31 HZ3 LYS 31 -6.284 -9.755 8.225 207 H PHE 32 H PHE 32 -2.475 -9.545 2.404 208 HA PHE 32 HA PHE 32 -3.310 -12.076 1.653 209 HB2 PHE 32 HB2 PHE 32 -2.281 -9.728 0.096 210 HB3 PHE 32 HB3 PHE 32 -2.804 -11.194 -0.704 211 HD1 PHE 32 HD2 PHE 32 -5.154 -11.891 1.019 212 HD2 PHE 32 HD1 PHE 32 -3.862 -8.164 -0.580 213 HE1 PHE 32 HE2 PHE 32 -7.463 -11.060 1.094 214 HE2 PHE 32 HE1 PHE 32 -6.174 -7.330 -0.505 215 HZ PHE 32 HZ PHE 32 -7.975 -8.777 0.331 216 H GLN 33 H GLN 33 -0.074 -10.718 1.687 217 HA GLN 33 HA GLN 33 0.959 -13.091 0.323 218 HB2 GLN 33 HB2 GLN 33 3.114 -11.856 0.268 219 HB3 GLN 33 HB3 GLN 33 1.804 -11.005 -0.536 220 HG2 GLN 33 HG2 GLN 33 1.510 -9.638 1.492 221 HG3 GLN 33 HG3 GLN 33 2.919 -10.431 2.194 222 HE21 GLN 33 HE21 GLN 33 1.767 -8.191 -0.156 223 HE22 GLN 33 HE22 GLN 33 3.305 -7.506 -0.567 224 H ASN 34 H ASN 34 -0.027 -12.740 3.202 225 HA ASN 34 HA ASN 34 0.318 -13.799 5.165 226 HB2 ASN 34 HB2 ASN 34 1.211 -15.652 3.608 227 HB3 ASN 34 HB3 ASN 34 2.814 -15.101 4.084 228 HD21 ASN 34 HD21 ASN 34 3.452 -15.347 6.272 229 HD22 ASN 34 HD22 ASN 34 2.666 -16.481 7.312 230 H CYS 35 H CYS 35 1.105 -11.276 5.042 231 HA CYS 35 HA CYS 35 3.544 -11.264 6.659 232 HB2 CYS 35 HB2 CYS 35 2.351 -9.109 4.929 233 HB3 CYS 35 HB3 CYS 35 3.663 -8.816 6.066 234 H GLY 36 H GLY 36 3.457 -10.449 8.629 235 HA2 GLY 36 HA2 GLY 36 1.002 -10.434 9.991 236 HA3 GLY 36 HA3 GLY 36 2.524 -9.856 10.647 237 H THR 37 H THR 37 2.939 -7.772 8.795 238 HA THR 37 HA THR 37 0.602 -6.075 8.950 239 HB THR 37 HB THR 37 1.459 -5.802 11.203 240 HG1 THR 37 HG1 THR 37 1.195 -3.698 11.141 241 HG21 THR 37 HG21 THR 37 3.708 -4.872 11.617 242 HG22 THR 37 HG22 THR 37 4.065 -5.013 9.896 243 HG23 THR 37 HG23 THR 37 3.773 -6.461 10.855 244 H GLY 38 H GLY 38 1.045 -3.921 8.134 245 HA2 GLY 38 HA2 GLY 38 3.306 -3.736 6.290 246 HA3 GLY 38 HA3 GLY 38 1.688 -3.646 5.593 247 H HIS 39 H HIS 39 3.870 -1.649 5.701 248 HA HIS 39 HA HIS 39 2.165 0.536 6.505 249 HB2 HIS 39 HB2 HIS 39 3.667 1.631 7.983 250 HB3 HIS 39 HB3 HIS 39 3.580 -0.027 8.545 251 HD1 HIS 39 HD1 HIS 39 5.759 -1.340 8.615 252 HD2 HIS 39 HD2 HIS 39 6.153 2.361 6.766 253 HE1 HIS 39 HE1 HIS 39 8.234 -0.950 8.394 254 HE2 HIS 39 HE2 HIS 39 8.420 1.427 7.543 255 H CYS 40 H CYS 40 2.750 2.517 5.552 256 HA CYS 40 HA CYS 40 4.098 2.091 3.052 257 HB2 CYS 40 HB2 CYS 40 2.777 4.593 4.116 258 HB3 CYS 40 HB3 CYS 40 3.288 4.277 2.460 259 H GLU 41 H GLU 41 6.102 2.532 2.661 260 HA GLU 41 HA GLU 41 7.496 4.461 4.379 261 HB2 GLU 41 HB2 GLU 41 7.883 1.986 4.965 262 HB3 GLU 41 HB3 GLU 41 8.733 1.878 3.434 263 HG2 GLU 41 HG2 GLU 41 10.370 2.175 5.081 264 HG3 GLU 41 HG3 GLU 41 10.217 3.734 4.268 265 H ARG 42 H ARG 42 8.975 5.729 3.253 266 HA ARG 42 HA ARG 42 8.856 5.473 0.372 267 HB2 ARG 42 HB2 ARG 42 9.912 7.622 2.185 268 HB3 ARG 42 HB3 ARG 42 10.179 7.633 0.449 269 HG2 ARG 42 HG2 ARG 42 7.773 7.613 0.090 270 HG3 ARG 42 HG3 ARG 42 7.518 7.681 1.839 271 HD2 ARG 42 HD2 ARG 42 7.324 9.897 1.025 272 HD3 ARG 42 HD3 ARG 42 8.895 9.790 1.822 273 HE ARG 42 HE ARG 42 8.983 9.266 -1.001 274 HH11 ARG 42 HH11 ARG 42 9.132 11.733 1.490 275 HH12 ARG 42 HH12 ARG 42 9.875 12.914 0.474 276 HH21 ARG 42 HH21 ARG 42 9.953 10.852 -2.374 277 HH22 ARG 42 HH22 ARG 42 10.364 12.404 -1.740 278 H ARG 43 H ARG 43 10.329 4.548 -0.754 279 HA ARG 43 HA ARG 43 12.950 4.042 0.483 280 HB2 ARG 43 HB2 ARG 43 11.558 2.543 -1.751 281 HB3 ARG 43 HB3 ARG 43 13.108 2.125 -1.042 282 HG2 ARG 43 HG2 ARG 43 10.528 2.165 0.517 283 HG3 ARG 43 HG3 ARG 43 11.161 0.731 -0.289 284 HD2 ARG 43 HD2 ARG 43 11.793 0.649 2.027 285 HD3 ARG 43 HD3 ARG 43 13.232 0.957 1.062 286 HE ARG 43 HE ARG 43 11.855 3.232 2.281 287 HH11 ARG 43 HH11 ARG 43 14.622 1.099 2.180 288 HH12 ARG 43 HH12 ARG 43 15.616 2.096 3.170 289 HH21 ARG 43 HH21 ARG 43 13.145 4.588 3.613 290 HH22 ARG 43 HH22 ARG 43 14.759 4.113 4.000 291 H GLY 44 H GLY 44 14.266 5.611 -0.204 292 HA2 GLY 44 HA2 GLY 44 15.369 7.060 -1.618 293 HA3 GLY 44 HA3 GLY 44 15.079 5.858 -2.871 294 H GLY 45 H GLY 45 12.954 8.019 -0.989 295 HA2 GLY 45 HA2 GLY 45 11.522 9.657 -1.703 296 HA3 GLY 45 HA3 GLY 45 12.184 9.493 -3.320 297 H ARG 46 H ARG 46 11.480 6.532 -2.976 298 HA ARG 46 HA ARG 46 8.921 6.883 -4.304 299 HB2 ARG 46 HB2 ARG 46 10.681 4.474 -4.032 300 HB3 ARG 46 HB3 ARG 46 9.111 4.440 -4.822 301 HG2 ARG 46 HG2 ARG 46 9.939 6.235 -6.341 302 HG3 ARG 46 HG3 ARG 46 11.536 6.000 -5.625 303 HD2 ARG 46 HD2 ARG 46 11.602 3.720 -6.360 304 HD3 ARG 46 HD3 ARG 46 9.917 3.793 -6.877 305 HE ARG 46 HE ARG 46 11.487 5.728 -8.233 306 HH11 ARG 46 HH11 ARG 46 10.760 2.291 -8.163 307 HH12 ARG 46 HH12 ARG 46 11.128 2.054 -9.832 308 HH21 ARG 46 HH21 ARG 46 11.961 5.401 -10.455 309 HH22 ARG 46 HH22 ARG 46 11.803 3.819 -11.139 310 HA PRO 47 HA PRO 47 6.713 5.802 -0.556 311 HB2 PRO 47 HB2 PRO 47 4.255 6.101 -1.674 312 HB3 PRO 47 HB3 PRO 47 5.229 7.455 -1.085 313 HG2 PRO 47 HG2 PRO 47 4.913 6.435 -3.885 314 HG3 PRO 47 HG3 PRO 47 4.874 8.110 -3.302 315 HD2 PRO 47 HD2 PRO 47 7.055 7.078 -4.437 316 HD3 PRO 47 HD3 PRO 47 7.170 8.216 -3.073 317 H THR 48 H THR 48 6.964 3.645 -0.258 318 HA THR 48 HA THR 48 5.550 1.870 -2.120 319 HB THR 48 HB THR 48 8.104 1.131 -0.685 320 HG1 THR 48 HG1 THR 48 8.345 2.983 -2.161 321 HG21 THR 48 HG21 THR 48 6.726 -0.708 -1.565 322 HG22 THR 48 HG22 THR 48 8.247 -0.567 -2.448 323 HG23 THR 48 HG23 THR 48 6.752 0.040 -3.162 324 H CYS 49 H CYS 49 4.791 -0.104 -1.188 325 HA CYS 49 HA CYS 49 4.069 0.143 1.616 326 HB2 CYS 49 HB2 CYS 49 2.246 -0.420 0.153 327 HB3 CYS 49 HB3 CYS 49 3.176 -1.711 -0.600 328 H VAL 50 H VAL 50 5.473 -0.694 3.032 329 HA VAL 50 HA VAL 50 6.934 -3.066 2.173 330 HB VAL 50 HB VAL 50 8.704 -2.513 3.744 331 HG11 VAL 50 HG11 VAL 50 9.569 -0.480 2.691 332 HG12 VAL 50 HG12 VAL 50 7.965 -0.130 2.047 333 HG13 VAL 50 HG13 VAL 50 8.841 -1.561 1.500 334 HG21 VAL 50 HG21 VAL 50 7.065 -0.079 4.428 335 HG22 VAL 50 HG22 VAL 50 8.706 -0.404 4.989 336 HG23 VAL 50 HG23 VAL 50 7.377 -1.456 5.483 337 H CYS 51 H CYS 51 6.610 -4.885 3.195 338 HA CYS 51 HA CYS 51 4.760 -4.852 5.451 339 HB2 CYS 51 HB2 CYS 51 5.604 -7.224 3.803 340 HB3 CYS 51 HB3 CYS 51 4.249 -7.110 4.909 341 H SER 52 H SER 52 5.055 -6.281 7.202 342 HA SER 52 HA SER 52 7.788 -7.217 7.642 343 HB2 SER 52 HB2 SER 52 7.380 -4.975 8.774 344 HB3 SER 52 HB3 SER 52 6.169 -5.794 9.764 345 HG SER 52 HG SER 52 8.954 -6.082 9.731 346 H ARG 53 H ARG 53 7.854 -8.781 9.470 347 HA ARG 53 HA ARG 53 7.227 -10.768 10.340 348 HB2 ARG 53 HB2 ARG 53 4.557 -9.366 10.502 349 HB3 ARG 53 HB3 ARG 53 4.880 -10.931 11.230 350 HG2 ARG 53 HG2 ARG 53 6.358 -8.388 11.897 351 HG3 ARG 53 HG3 ARG 53 5.013 -9.047 12.829 352 HD2 ARG 53 HD2 ARG 53 7.037 -9.711 13.918 353 HD3 ARG 53 HD3 ARG 53 6.354 -11.135 13.146 354 HE ARG 53 HE ARG 53 8.604 -9.589 12.008 355 HH11 ARG 53 HH11 ARG 53 7.064 -12.667 12.755 356 HH12 ARG 53 HH12 ARG 53 8.290 -13.608 11.985 357 HH21 ARG 53 HH21 ARG 53 10.215 -10.849 10.980 358 HH22 ARG 53 HH22 ARG 53 10.079 -12.573 10.962 359 H CYS 54 H CYS 54 7.517 -10.820 7.757 360 HA CYS 54 HA CYS 54 5.211 -12.143 6.536 361 HB2 CYS 54 HB2 CYS 54 7.887 -11.406 5.342 362 HB3 CYS 54 HB3 CYS 54 6.507 -12.046 4.457 363 H GLY 55 H GLY 55 5.624 -14.214 5.296 364 HA2 GLY 55 HA2 GLY 55 7.135 -15.985 7.043 365 HA3 GLY 55 HA3 GLY 55 5.956 -16.458 5.825 366 H ASN 56 H ASN 56 8.576 -14.224 5.357 367 HA ASN 56 HA ASN 56 9.666 -15.929 3.247 368 HB2 ASN 56 HB2 ASN 56 10.819 -13.902 2.474 369 HB3 ASN 56 HB3 ASN 56 9.103 -13.581 2.662 370 HD21 ASN 56 HD21 ASN 56 11.386 -11.749 2.645 371 HD22 ASN 56 HD22 ASN 56 11.307 -10.881 4.139 372 H GLY 57 H GLY 57 12.273 -14.580 3.391 373 HA2 GLY 57 HA2 GLY 57 13.273 -15.550 5.975 374 HA3 GLY 57 HA3 GLY 57 14.026 -16.105 4.484 375 H GLY 58 H GLY 58 14.060 -13.663 6.894 376 HA2 GLY 58 HA2 GLY 58 16.034 -12.303 6.881 377 HA3 GLY 58 HA3 GLY 58 15.794 -12.069 5.155 378 H GLY 59 H GLY 59 15.579 -9.906 5.141 379 HA2 GLY 59 HA2 GLY 59 13.792 -8.232 4.983 380 HA3 GLY 59 HA3 GLY 59 13.206 -8.820 6.536 381 H GLU 60 H GLU 60 16.548 -8.283 5.683 382 HA GLU 60 HA GLU 60 16.945 -6.638 7.999 383 HB2 GLU 60 HB2 GLU 60 18.834 -7.461 5.797 384 HB3 GLU 60 HB3 GLU 60 19.300 -6.639 7.278 385 HG2 GLU 60 HG2 GLU 60 18.773 -8.509 8.601 386 HG3 GLU 60 HG3 GLU 60 17.908 -9.294 7.279 387 H TRP 61 H TRP 61 18.644 -4.813 7.476 388 HA TRP 61 HA TRP 61 17.203 -2.909 5.783 389 HB2 TRP 61 HB2 TRP 61 19.193 -2.401 8.003 390 HB3 TRP 61 HB3 TRP 61 18.324 -1.161 7.099 391 HD1 TRP 61 HD1 TRP 61 15.735 -0.836 7.639 392 HE1 TRP 61 HE1 TRP 61 14.267 -1.565 9.628 393 HE3 TRP 61 HE3 TRP 61 18.879 -4.271 9.731 394 HZ2 TRP 61 HZ2 TRP 61 14.433 -3.366 11.794 395 HZ3 TRP 61 HZ3 TRP 61 18.150 -5.456 11.755 396 HH2 TRP 61 HH2 TRP 61 15.973 -5.012 12.765 397 HA PRO 62 HA PRO 62 20.747 -3.592 3.111 398 HB2 PRO 62 HB2 PRO 62 19.664 -2.473 0.894 399 HB3 PRO 62 HB3 PRO 62 19.266 -4.105 1.436 400 HG2 PRO 62 HG2 PRO 62 17.717 -1.574 1.744 401 HG3 PRO 62 HG3 PRO 62 17.135 -3.215 1.416 402 HD2 PRO 62 HD2 PRO 62 17.064 -2.010 3.885 403 HD3 PRO 62 HD3 PRO 62 17.093 -3.767 3.635 404 H ASN 63 H ASN 63 18.989 -0.501 2.717 405 HA ASN 63 HA ASN 63 21.465 0.884 2.144 406 HB2 ASN 63 HB2 ASN 63 20.134 2.743 1.568 407 HB3 ASN 63 HB3 ASN 63 19.176 1.351 1.074 408 HD21 ASN 63 HD21 ASN 63 19.375 4.089 3.126 409 HD22 ASN 63 HD22 ASN 63 17.822 3.931 3.862 410 H LEU 64 H LEU 64 19.869 0.000 4.926 411 HA LEU 64 HA LEU 64 19.973 0.569 7.115 412 HB2 LEU 64 HB2 LEU 64 22.334 2.284 6.333 413 HB3 LEU 64 HB3 LEU 64 21.948 1.717 7.942 414 HG LEU 64 HG LEU 64 22.804 -0.009 5.620 415 HD11 LEU 64 HD11 LEU 64 24.252 0.815 8.127 416 HD12 LEU 64 HD12 LEU 64 24.618 1.341 6.484 417 HD13 LEU 64 HD13 LEU 64 24.837 -0.349 6.938 418 HD21 LEU 64 HD21 LEU 64 22.939 -1.794 7.323 419 HD22 LEU 64 HD22 LEU 64 21.293 -1.232 7.039 420 HD23 LEU 64 HD23 LEU 64 22.165 -0.712 8.479 421 HA PRO 65 HA PRO 65 17.808 4.508 6.202 422 HB2 PRO 65 HB2 PRO 65 15.413 3.828 7.203 423 HB3 PRO 65 HB3 PRO 65 15.932 3.309 5.594 424 HG2 PRO 65 HG2 PRO 65 15.904 1.781 8.160 425 HG3 PRO 65 HG3 PRO 65 15.467 1.243 6.528 426 HD2 PRO 65 HD2 PRO 65 17.886 0.731 7.733 427 HD3 PRO 65 HD3 PRO 65 17.639 0.777 5.976 428 H SER 66 H SER 66 16.767 6.012 7.584 429 HA SER 66 HA SER 66 17.947 6.046 10.244 430 HB2 SER 66 HB2 SER 66 18.017 8.050 8.705 431 HB3 SER 66 HB3 SER 66 16.273 8.192 8.910 432 HG SER 66 HG SER 66 17.880 9.408 10.356 433 H ARG 67 H ARG 67 15.918 7.700 11.448 434 HA ARG 67 HA ARG 67 14.001 5.570 12.068 435 HB2 ARG 67 HB2 ARG 67 14.855 8.022 13.592 436 HB3 ARG 67 HB3 ARG 67 13.384 7.155 14.003 437 HG2 ARG 67 HG2 ARG 67 15.008 6.316 15.443 438 HG3 ARG 67 HG3 ARG 67 14.831 5.089 14.187 439 HD2 ARG 67 HD2 ARG 67 17.161 5.346 14.564 440 HD3 ARG 67 HD3 ARG 67 16.806 6.154 13.037 441 HE ARG 67 HE ARG 67 16.778 7.827 15.404 442 HH11 ARG 67 HH11 ARG 67 18.634 6.682 12.653 443 HH12 ARG 67 HH12 ARG 67 19.779 7.969 12.733 444 HH21 ARG 67 HH21 ARG 67 18.303 9.494 15.534 445 HH22 ARG 67 HH22 ARG 67 19.600 9.569 14.396 446 H GLY 68 H GLY 68 13.888 9.107 11.911 447 HA2 GLY 68 HA2 GLY 68 12.573 10.261 10.301 448 HA3 GLY 68 HA3 GLY 68 11.537 8.841 10.198 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 5.060 0.386 -15.930 2 H2 GLY 1 H2 GLY 1 3.953 -0.145 -17.096 3 H3 GLY 1 H3 GLY 1 3.716 -0.530 -15.471 4 HA2 GLY 1 HA2 GLY 1 3.407 1.787 -14.930 5 HA3 GLY 1 HA3 GLY 1 3.630 2.188 -16.627 6 H SER 2 H SER 2 1.824 2.516 -17.700 7 HA SER 2 HA SER 2 -0.324 2.426 -18.417 8 HB2 SER 2 HB2 SER 2 -0.475 -0.247 -17.002 9 HB3 SER 2 HB3 SER 2 -1.536 0.327 -18.288 10 HG SER 2 HG SER 2 0.029 0.038 -19.751 11 H ALA 3 H ALA 3 0.454 3.336 -15.602 12 HA ALA 3 HA ALA 3 -2.240 3.843 -14.721 13 HB1 ALA 3 HB1 ALA 3 -1.965 2.931 -12.488 14 HB2 ALA 3 HB2 ALA 3 -0.352 2.352 -12.904 15 HB3 ALA 3 HB3 ALA 3 -1.767 1.661 -13.697 16 H LEU 4 H LEU 4 -2.318 5.297 -12.983 17 HA LEU 4 HA LEU 4 -0.381 7.407 -13.092 18 HB2 LEU 4 HB2 LEU 4 -1.739 8.629 -11.591 19 HB3 LEU 4 HB3 LEU 4 -2.831 7.721 -12.611 20 HG LEU 4 HG LEU 4 -2.057 6.806 -9.842 21 HD11 LEU 4 HD11 LEU 4 -3.105 8.989 -9.664 22 HD12 LEU 4 HD12 LEU 4 -4.200 7.730 -9.091 23 HD13 LEU 4 HD13 LEU 4 -4.441 8.451 -10.683 24 HD21 LEU 4 HD21 LEU 4 -2.970 5.067 -11.280 25 HD22 LEU 4 HD22 LEU 4 -4.354 6.089 -11.666 26 HD23 LEU 4 HD23 LEU 4 -4.129 5.494 -10.021 27 H ASP 5 H ASP 5 -0.760 4.643 -11.111 28 HA ASP 5 HA ASP 5 1.640 5.398 -9.654 29 HB2 ASP 5 HB2 ASP 5 0.781 4.790 -7.516 30 HB3 ASP 5 HB3 ASP 5 -0.391 5.894 -8.221 31 H PHE 6 H PHE 6 2.857 3.630 -8.949 32 HA PHE 6 HA PHE 6 2.087 1.063 -10.156 33 HB2 PHE 6 HB2 PHE 6 4.505 0.541 -10.211 34 HB3 PHE 6 HB3 PHE 6 4.129 1.988 -11.136 35 HD1 PHE 6 HD2 PHE 6 4.796 4.205 -10.294 36 HD2 PHE 6 HD1 PHE 6 5.887 0.628 -8.262 37 HE1 PHE 6 HE2 PHE 6 6.502 5.447 -9.030 38 HE2 PHE 6 HE1 PHE 6 7.595 1.865 -6.996 39 HZ PHE 6 HZ PHE 6 7.903 4.274 -7.378 40 H THR 7 H THR 7 2.592 2.724 -7.288 41 HA THR 7 HA THR 7 2.771 0.231 -5.767 42 HB THR 7 HB THR 7 4.813 1.247 -5.317 43 HG1 THR 7 HG1 THR 7 4.336 2.487 -3.202 44 HG21 THR 7 HG21 THR 7 4.388 3.343 -6.503 45 HG22 THR 7 HG22 THR 7 5.139 3.636 -4.933 46 HG23 THR 7 HG23 THR 7 3.410 3.913 -5.148 47 H SER 8 H SER 8 1.231 -0.152 -4.347 48 HA SER 8 HA SER 8 -1.152 1.231 -4.236 49 HB2 SER 8 HB2 SER 8 -0.112 -0.542 -2.037 50 HB3 SER 8 HB3 SER 8 -1.786 -0.308 -2.546 51 HG SER 8 HG SER 8 -1.506 -1.681 -4.129 52 H CYS 9 H CYS 9 1.765 1.988 -2.572 53 HA CYS 9 HA CYS 9 0.284 3.484 -0.549 54 HB2 CYS 9 HB2 CYS 9 3.141 2.606 -0.696 55 HB3 CYS 9 HB3 CYS 9 2.608 3.833 0.450 56 H ALA 10 H ALA 10 1.104 4.168 -3.525 57 HA ALA 10 HA ALA 10 2.616 6.519 -3.436 58 HB1 ALA 10 HB1 ALA 10 0.351 5.890 -5.326 59 HB2 ALA 10 HB2 ALA 10 2.016 5.345 -5.514 60 HB3 ALA 10 HB3 ALA 10 1.637 7.066 -5.592 61 H ARG 11 H ARG 11 -0.759 5.995 -2.736 62 HA ARG 11 HA ARG 11 -1.491 8.719 -2.808 63 HB2 ARG 11 HB2 ARG 11 -3.524 7.969 -1.405 64 HB3 ARG 11 HB3 ARG 11 -3.379 7.405 -3.058 65 HG2 ARG 11 HG2 ARG 11 -2.431 5.715 -0.778 66 HG3 ARG 11 HG3 ARG 11 -4.142 5.795 -1.188 67 HD2 ARG 11 HD2 ARG 11 -1.860 4.714 -2.820 68 HD3 ARG 11 HD3 ARG 11 -3.361 3.937 -2.355 69 HE ARG 11 HE ARG 11 -4.217 5.964 -3.917 70 HH11 ARG 11 HH11 ARG 11 -1.885 3.383 -4.365 71 HH12 ARG 11 HH12 ARG 11 -2.025 3.367 -6.088 72 HH21 ARG 11 HH21 ARG 11 -4.422 5.938 -6.215 73 HH22 ARG 11 HH22 ARG 11 -3.459 4.833 -7.150 74 H MET 12 H MET 12 0.448 7.113 -0.612 75 HA MET 12 HA MET 12 -0.219 8.202 1.847 76 HB2 MET 12 HB2 MET 12 2.021 7.836 2.539 77 HB3 MET 12 HB3 MET 12 1.664 6.572 1.369 78 HG2 MET 12 HG2 MET 12 3.038 7.467 -0.231 79 HG3 MET 12 HG3 MET 12 2.933 9.096 0.424 80 HE1 MET 12 HE1 MET 12 3.847 5.700 2.322 81 HE2 MET 12 HE2 MET 12 5.595 5.712 2.063 82 HE3 MET 12 HE3 MET 12 4.497 5.589 0.687 83 H ASN 13 H ASN 13 0.875 9.900 -1.000 84 HA ASN 13 HA ASN 13 1.606 12.173 0.704 85 HB2 ASN 13 HB2 ASN 13 2.910 13.073 -1.182 86 HB3 ASN 13 HB3 ASN 13 3.491 11.490 -0.696 87 HD21 ASN 13 HD21 ASN 13 3.496 9.878 -2.139 88 HD22 ASN 13 HD22 ASN 13 2.967 10.026 -3.776 89 H ASP 14 H ASP 14 -1.052 11.230 -0.185 90 HA ASP 14 HA ASP 14 -1.920 13.455 -1.904 91 HB2 ASP 14 HB2 ASP 14 -2.551 11.013 -2.470 92 HB3 ASP 14 HB3 ASP 14 -3.515 11.041 -1.013 93 H GLY 15 H GLY 15 -1.115 13.620 0.919 94 HA2 GLY 15 HA2 GLY 15 -1.924 15.043 2.581 95 HA3 GLY 15 HA3 GLY 15 -3.560 14.778 1.987 96 H ALA 16 H ALA 16 -3.485 14.621 4.564 97 HA ALA 16 HA ALA 16 -2.673 12.265 5.788 98 HB1 ALA 16 HB1 ALA 16 -5.087 13.928 6.488 99 HB2 ALA 16 HB2 ALA 16 -3.433 14.263 7.000 100 HB3 ALA 16 HB3 ALA 16 -4.250 12.800 7.553 101 H LEU 17 H LEU 17 -5.622 12.955 3.978 102 HA LEU 17 HA LEU 17 -7.042 10.602 4.610 103 HB2 LEU 17 HB2 LEU 17 -7.718 12.777 3.246 104 HB3 LEU 17 HB3 LEU 17 -7.196 11.813 1.880 105 HG LEU 17 HG LEU 17 -9.643 11.765 2.218 106 HD11 LEU 17 HD11 LEU 17 -8.302 9.107 2.641 107 HD12 LEU 17 HD12 LEU 17 -8.576 9.901 1.091 108 HD13 LEU 17 HD13 LEU 17 -9.947 9.352 2.055 109 HD21 LEU 17 HD21 LEU 17 -8.970 10.352 4.791 110 HD22 LEU 17 HD22 LEU 17 -10.581 10.524 4.098 111 HD23 LEU 17 HD23 LEU 17 -9.696 11.950 4.634 112 H GLY 18 H GLY 18 -4.779 11.382 2.014 113 HA2 GLY 18 HA2 GLY 18 -4.832 8.965 0.607 114 HA3 GLY 18 HA3 GLY 18 -3.487 10.089 0.662 115 H ALA 19 H ALA 19 -2.841 9.984 3.371 116 HA ALA 19 HA ALA 19 -1.160 7.780 3.519 117 HB1 ALA 19 HB1 ALA 19 -2.249 9.429 5.799 118 HB2 ALA 19 HB2 ALA 19 -0.840 9.832 4.819 119 HB3 ALA 19 HB3 ALA 19 -0.816 8.402 5.850 120 H LYS 20 H LYS 20 -4.408 8.248 4.808 121 HA LYS 20 HA LYS 20 -4.474 5.783 6.213 122 HB2 LYS 20 HB2 LYS 20 -6.354 7.945 5.653 123 HB3 LYS 20 HB3 LYS 20 -7.121 6.365 5.632 124 HG2 LYS 20 HG2 LYS 20 -7.308 7.244 7.841 125 HG3 LYS 20 HG3 LYS 20 -6.135 5.928 7.883 126 HD2 LYS 20 HD2 LYS 20 -5.174 7.641 9.176 127 HD3 LYS 20 HD3 LYS 20 -4.350 7.735 7.618 128 HE2 LYS 20 HE2 LYS 20 -4.903 9.959 8.301 129 HE3 LYS 20 HE3 LYS 20 -5.952 9.524 6.957 130 HZ1 LYS 20 HZ1 LYS 20 -7.201 10.625 8.683 131 HZ2 LYS 20 HZ2 LYS 20 -6.698 9.493 9.830 132 HZ3 LYS 20 HZ3 LYS 20 -7.706 9.017 8.564 133 H VAL 21 H VAL 21 -5.606 6.779 2.985 134 HA VAL 21 HA VAL 21 -6.735 4.333 2.244 135 HB VAL 21 HB VAL 21 -5.317 6.314 0.426 136 HG11 VAL 21 HG11 VAL 21 -6.784 5.401 -1.321 137 HG12 VAL 21 HG12 VAL 21 -7.427 4.235 -0.160 138 HG13 VAL 21 HG13 VAL 21 -5.733 4.158 -0.636 139 HG21 VAL 21 HG21 VAL 21 -7.024 7.450 1.727 140 HG22 VAL 21 HG22 VAL 21 -8.205 6.209 1.307 141 HG23 VAL 21 HG23 VAL 21 -7.559 7.270 0.056 142 H ALA 22 H ALA 22 -3.486 5.588 1.836 143 HA ALA 22 HA ALA 22 -2.329 3.467 0.463 144 HB1 ALA 22 HB1 ALA 22 -1.019 5.312 2.455 145 HB2 ALA 22 HB2 ALA 22 -1.262 5.653 0.744 146 HB3 ALA 22 HB3 ALA 22 -0.190 4.343 1.240 147 H GLN 23 H GLN 23 -2.291 4.075 3.983 148 HA GLN 23 HA GLN 23 -0.856 1.750 4.629 149 HB2 GLN 23 HB2 GLN 23 -1.298 2.215 6.892 150 HB3 GLN 23 HB3 GLN 23 -1.278 3.781 6.099 151 HG2 GLN 23 HG2 GLN 23 -3.755 3.707 6.019 152 HG3 GLN 23 HG3 GLN 23 -3.677 2.215 6.961 153 HE21 GLN 23 HE21 GLN 23 -3.119 2.301 9.110 154 HE22 GLN 23 HE22 GLN 23 -3.059 3.781 9.997 155 H ALA 24 H ALA 24 -4.337 2.309 4.334 156 HA ALA 24 HA ALA 24 -5.212 -0.132 5.410 157 HB1 ALA 24 HB1 ALA 24 -6.493 1.581 3.273 158 HB2 ALA 24 HB2 ALA 24 -6.713 1.753 5.015 159 HB3 ALA 24 HB3 ALA 24 -7.299 0.308 4.191 160 H ALA 25 H ALA 25 -4.494 0.847 2.099 161 HA ALA 25 HA ALA 25 -5.119 -1.619 0.889 162 HB1 ALA 25 HB1 ALA 25 -4.977 0.484 -0.363 163 HB2 ALA 25 HB2 ALA 25 -3.927 -0.753 -1.052 164 HB3 ALA 25 HB3 ALA 25 -3.239 0.538 -0.068 165 H CYS 26 H CYS 26 -2.195 -0.358 2.422 166 HA CYS 26 HA CYS 26 -0.473 -2.353 1.337 167 HB2 CYS 26 HB2 CYS 26 0.214 -0.041 2.107 168 HB3 CYS 26 HB3 CYS 26 0.012 -0.617 3.757 169 H ILE 27 H ILE 27 -1.787 -1.772 4.619 170 HA ILE 27 HA ILE 27 -0.747 -4.003 5.886 171 HB ILE 27 HB ILE 27 -3.441 -2.704 6.355 172 HG12 ILE 27 HG12 ILE 27 -0.864 -2.288 7.878 173 HG13 ILE 27 HG13 ILE 27 -1.371 -1.251 6.560 174 HG21 ILE 27 HG21 ILE 27 -1.864 -4.591 8.106 175 HG22 ILE 27 HG22 ILE 27 -3.440 -4.890 7.372 176 HG23 ILE 27 HG23 ILE 27 -3.274 -3.674 8.639 177 HD11 ILE 27 HD11 ILE 27 -1.904 -0.281 8.719 178 HD12 ILE 27 HD12 ILE 27 -2.862 -1.702 9.136 179 HD13 ILE 27 HD13 ILE 27 -3.376 -0.646 7.820 180 H SER 28 H SER 28 -3.886 -3.701 4.247 181 HA SER 28 HA SER 28 -4.752 -6.312 4.721 182 HB2 SER 28 HB2 SER 28 -5.464 -4.587 2.354 183 HB3 SER 28 HB3 SER 28 -6.415 -5.903 3.051 184 HG SER 28 HG SER 28 -5.989 -3.299 3.993 185 H SER 29 H SER 29 -2.961 -4.957 1.953 186 HA SER 29 HA SER 29 -2.958 -7.326 0.421 187 HB2 SER 29 HB2 SER 29 -1.013 -5.005 0.383 188 HB3 SER 29 HB3 SER 29 -1.133 -6.253 -0.858 189 HG SER 29 HG SER 29 -2.960 -4.214 -0.186 190 H CYS 30 H CYS 30 -0.850 -6.129 2.978 191 HA CYS 30 HA CYS 30 1.211 -8.003 2.574 192 HB2 CYS 30 HB2 CYS 30 0.410 -6.341 4.958 193 HB3 CYS 30 HB3 CYS 30 1.872 -7.326 4.896 194 H LYS 31 H LYS 31 -1.550 -7.896 4.831 195 HA LYS 31 HA LYS 31 -1.086 -10.305 6.119 196 HB2 LYS 31 HB2 LYS 31 -3.710 -8.971 5.425 197 HB3 LYS 31 HB3 LYS 31 -3.516 -10.252 6.614 198 HG2 LYS 31 HG2 LYS 31 -2.468 -8.877 8.130 199 HG3 LYS 31 HG3 LYS 31 -1.890 -7.772 6.885 200 HD2 LYS 31 HD2 LYS 31 -3.622 -6.702 8.186 201 HD3 LYS 31 HD3 LYS 31 -4.198 -6.985 6.541 202 HE2 LYS 31 HE2 LYS 31 -5.916 -7.499 8.168 203 HE3 LYS 31 HE3 LYS 31 -5.413 -8.961 7.321 204 HZ1 LYS 31 HZ1 LYS 31 -4.581 -8.149 10.063 205 HZ2 LYS 31 HZ2 LYS 31 -4.019 -9.514 9.248 206 HZ3 LYS 31 HZ3 LYS 31 -5.646 -9.396 9.663 207 H PHE 32 H PHE 32 -2.722 -9.575 3.111 208 HA PHE 32 HA PHE 32 -3.801 -12.022 2.479 209 HB2 PHE 32 HB2 PHE 32 -3.883 -9.673 1.337 210 HB3 PHE 32 HB3 PHE 32 -2.540 -10.301 0.394 211 HD1 PHE 32 HD1 PHE 32 -6.029 -10.793 1.293 212 HD2 PHE 32 HD2 PHE 32 -2.875 -11.876 -1.315 213 HE1 PHE 32 HE1 PHE 32 -7.652 -11.950 -0.174 214 HE2 PHE 32 HE2 PHE 32 -4.470 -13.036 -2.797 215 HZ PHE 32 HZ PHE 32 -6.867 -13.073 -2.222 216 H GLN 33 H GLN 33 -0.485 -10.867 2.059 217 HA GLN 33 HA GLN 33 0.226 -13.309 0.620 218 HB2 GLN 33 HB2 GLN 33 2.388 -12.154 0.197 219 HB3 GLN 33 HB3 GLN 33 0.991 -11.296 -0.434 220 HG2 GLN 33 HG2 GLN 33 1.047 -9.810 1.513 221 HG3 GLN 33 HG3 GLN 33 2.487 -10.648 2.092 222 HE21 GLN 33 HE21 GLN 33 1.186 -8.492 -0.274 223 HE22 GLN 33 HE22 GLN 33 2.699 -7.923 -0.890 224 H ASN 34 H ASN 34 -0.304 -13.053 3.563 225 HA ASN 34 HA ASN 34 0.339 -14.244 5.394 226 HB2 ASN 34 HB2 ASN 34 1.206 -15.909 3.584 227 HB3 ASN 34 HB3 ASN 34 2.802 -15.269 3.976 228 HD21 ASN 34 HD21 ASN 34 3.733 -15.759 5.923 229 HD22 ASN 34 HD22 ASN 34 3.125 -16.977 6.987 230 H CYS 35 H CYS 35 1.091 -11.534 5.031 231 HA CYS 35 HA CYS 35 3.614 -11.498 6.502 232 HB2 CYS 35 HB2 CYS 35 2.215 -9.386 4.872 233 HB3 CYS 35 HB3 CYS 35 3.563 -9.026 5.942 234 H GLY 36 H GLY 36 3.634 -10.736 8.493 235 HA2 GLY 36 HA2 GLY 36 1.335 -10.780 10.070 236 HA3 GLY 36 HA3 GLY 36 2.857 -10.045 10.547 237 H THR 37 H THR 37 2.996 -8.036 8.716 238 HA THR 37 HA THR 37 0.531 -6.523 8.722 239 HB THR 37 HB THR 37 1.325 -6.147 11.035 240 HG1 THR 37 HG1 THR 37 0.748 -4.078 10.967 241 HG21 THR 37 HG21 THR 37 3.731 -6.310 10.672 242 HG22 THR 37 HG22 THR 37 3.328 -4.767 11.425 243 HG23 THR 37 HG23 THR 37 3.702 -4.838 9.703 244 H GLY 38 H GLY 38 1.068 -4.132 8.062 245 HA2 GLY 38 HA2 GLY 38 3.252 -4.035 6.161 246 HA3 GLY 38 HA3 GLY 38 1.622 -3.946 5.490 247 H HIS 39 H HIS 39 3.801 -1.961 5.563 248 HA HIS 39 HA HIS 39 2.091 0.213 6.389 249 HB2 HIS 39 HB2 HIS 39 3.639 1.319 7.826 250 HB3 HIS 39 HB3 HIS 39 3.526 -0.334 8.406 251 HD1 HIS 39 HD1 HIS 39 5.667 -1.736 8.359 252 HD2 HIS 39 HD2 HIS 39 6.113 2.024 6.661 253 HE1 HIS 39 HE1 HIS 39 8.145 -1.423 8.040 254 HE2 HIS 39 HE2 HIS 39 8.410 0.885 7.090 255 H CYS 40 H CYS 40 2.599 2.146 5.403 256 HA CYS 40 HA CYS 40 4.012 1.758 2.930 257 HB2 CYS 40 HB2 CYS 40 2.553 4.166 4.010 258 HB3 CYS 40 HB3 CYS 40 3.195 3.985 2.379 259 H GLU 41 H GLU 41 5.999 2.353 2.558 260 HA GLU 41 HA GLU 41 7.232 4.213 4.439 261 HB2 GLU 41 HB2 GLU 41 7.789 1.821 4.968 262 HB3 GLU 41 HB3 GLU 41 8.580 1.728 3.403 263 HG2 GLU 41 HG2 GLU 41 10.230 3.283 4.040 264 HG3 GLU 41 HG3 GLU 41 9.331 3.739 5.486 265 H ARG 42 H ARG 42 8.572 5.660 3.526 266 HA ARG 42 HA ARG 42 8.602 5.639 0.620 267 HB2 ARG 42 HB2 ARG 42 8.388 7.702 2.609 268 HB3 ARG 42 HB3 ARG 42 9.731 8.035 1.527 269 HG2 ARG 42 HG2 ARG 42 8.215 7.755 -0.393 270 HG3 ARG 42 HG3 ARG 42 6.884 7.516 0.735 271 HD2 ARG 42 HD2 ARG 42 7.009 9.808 -0.138 272 HD3 ARG 42 HD3 ARG 42 7.162 9.726 1.618 273 HE ARG 42 HE ARG 42 9.687 9.724 0.283 274 HH11 ARG 42 HH11 ARG 42 7.053 11.790 1.359 275 HH12 ARG 42 HH12 ARG 42 8.048 13.177 1.585 276 HH21 ARG 42 HH21 ARG 42 11.016 11.598 0.561 277 HH22 ARG 42 HH22 ARG 42 10.308 13.075 1.105 278 H ARG 43 H ARG 43 10.305 5.315 -0.488 279 HA ARG 43 HA ARG 43 12.918 5.328 0.844 280 HB2 ARG 43 HB2 ARG 43 11.901 3.085 -0.906 281 HB3 ARG 43 HB3 ARG 43 13.525 3.206 -0.235 282 HG2 ARG 43 HG2 ARG 43 12.490 3.203 2.047 283 HG3 ARG 43 HG3 ARG 43 10.945 2.857 1.269 284 HD2 ARG 43 HD2 ARG 43 11.792 0.802 0.392 285 HD3 ARG 43 HD3 ARG 43 13.410 1.168 1.005 286 HE ARG 43 HE ARG 43 11.760 1.241 3.206 287 HH11 ARG 43 HH11 ARG 43 12.650 -1.175 0.822 288 HH12 ARG 43 HH12 ARG 43 12.359 -2.505 1.888 289 HH21 ARG 43 HH21 ARG 43 11.398 -0.473 4.599 290 HH22 ARG 43 HH22 ARG 43 11.642 -2.106 4.068 291 H GLY 44 H GLY 44 14.363 6.430 -0.262 292 HA2 GLY 44 HA2 GLY 44 15.219 7.798 -1.907 293 HA3 GLY 44 HA3 GLY 44 14.736 6.514 -3.007 294 H GLY 45 H GLY 45 12.712 8.638 -1.000 295 HA2 GLY 45 HA2 GLY 45 11.121 10.189 -1.561 296 HA3 GLY 45 HA3 GLY 45 11.805 10.236 -3.178 297 H ARG 46 H ARG 46 11.242 7.102 -2.944 298 HA ARG 46 HA ARG 46 8.680 7.348 -4.276 299 HB2 ARG 46 HB2 ARG 46 10.530 5.010 -3.944 300 HB3 ARG 46 HB3 ARG 46 9.100 5.043 -4.967 301 HG2 ARG 46 HG2 ARG 46 11.314 7.013 -5.379 302 HG3 ARG 46 HG3 ARG 46 11.445 5.379 -6.023 303 HD2 ARG 46 HD2 ARG 46 10.579 6.727 -7.773 304 HD3 ARG 46 HD3 ARG 46 9.236 5.771 -7.169 305 HE ARG 46 HE ARG 46 8.498 7.796 -5.977 306 HH11 ARG 46 HH11 ARG 46 10.745 8.188 -8.659 307 HH12 ARG 46 HH12 ARG 46 10.234 9.798 -9.015 308 HH21 ARG 46 HH21 ARG 46 7.814 9.935 -6.462 309 HH22 ARG 46 HH22 ARG 46 8.569 10.793 -7.758 310 HA PRO 47 HA PRO 47 6.661 5.865 -0.535 311 HB2 PRO 47 HB2 PRO 47 4.148 6.009 -1.506 312 HB3 PRO 47 HB3 PRO 47 5.053 7.439 -0.991 313 HG2 PRO 47 HG2 PRO 47 4.616 6.372 -3.755 314 HG3 PRO 47 HG3 PRO 47 4.522 8.047 -3.178 315 HD2 PRO 47 HD2 PRO 47 6.682 7.048 -4.465 316 HD3 PRO 47 HD3 PRO 47 6.800 8.319 -3.229 317 H THR 48 H THR 48 7.056 3.695 -0.278 318 HA THR 48 HA THR 48 5.847 1.873 -2.255 319 HB THR 48 HB THR 48 8.226 1.241 -0.496 320 HG1 THR 48 HG1 THR 48 8.467 3.081 -2.076 321 HG21 THR 48 HG21 THR 48 7.235 0.045 -3.088 322 HG22 THR 48 HG22 THR 48 7.038 -0.670 -1.487 323 HG23 THR 48 HG23 THR 48 8.650 -0.483 -2.176 324 H CYS 49 H CYS 49 4.839 -0.037 -1.477 325 HA CYS 49 HA CYS 49 3.969 0.042 1.297 326 HB2 CYS 49 HB2 CYS 49 2.221 -0.372 -0.301 327 HB3 CYS 49 HB3 CYS 49 3.159 -1.632 -1.091 328 H VAL 50 H VAL 50 5.386 -0.830 2.692 329 HA VAL 50 HA VAL 50 6.739 -3.261 1.820 330 HB VAL 50 HB VAL 50 8.549 -2.775 3.373 331 HG11 VAL 50 HG11 VAL 50 7.890 -0.408 1.622 332 HG12 VAL 50 HG12 VAL 50 8.716 -1.882 1.113 333 HG13 VAL 50 HG13 VAL 50 9.484 -0.794 2.271 334 HG21 VAL 50 HG21 VAL 50 7.030 -0.252 4.020 335 HG22 VAL 50 HG22 VAL 50 8.661 -0.640 4.570 336 HG23 VAL 50 HG23 VAL 50 7.292 -1.618 5.103 337 H CYS 51 H CYS 51 6.430 -5.059 2.886 338 HA CYS 51 HA CYS 51 4.636 -4.965 5.180 339 HB2 CYS 51 HB2 CYS 51 5.473 -7.396 3.612 340 HB3 CYS 51 HB3 CYS 51 4.121 -7.240 4.718 341 H SER 52 H SER 52 5.029 -6.304 6.997 342 HA SER 52 HA SER 52 7.794 -7.160 7.329 343 HB2 SER 52 HB2 SER 52 7.466 -6.332 9.783 344 HB3 SER 52 HB3 SER 52 7.891 -5.166 8.531 345 HG SER 52 HG SER 52 6.162 -4.444 9.833 346 H ARG 53 H ARG 53 8.036 -8.693 9.158 347 HA ARG 53 HA ARG 53 7.560 -10.745 10.002 348 HB2 ARG 53 HB2 ARG 53 4.714 -9.733 10.182 349 HB3 ARG 53 HB3 ARG 53 5.409 -11.059 11.105 350 HG2 ARG 53 HG2 ARG 53 6.220 -8.162 11.311 351 HG3 ARG 53 HG3 ARG 53 5.170 -9.018 12.439 352 HD2 ARG 53 HD2 ARG 53 6.942 -10.420 13.160 353 HD3 ARG 53 HD3 ARG 53 7.982 -9.907 11.831 354 HE ARG 53 HE ARG 53 7.684 -7.603 13.020 355 HH11 ARG 53 HH11 ARG 53 8.131 -10.732 14.580 356 HH12 ARG 53 HH12 ARG 53 8.984 -10.073 15.928 357 HH21 ARG 53 HH21 ARG 53 8.791 -6.736 14.836 358 HH22 ARG 53 HH22 ARG 53 9.354 -7.798 16.082 359 H CYS 54 H CYS 54 7.807 -10.720 7.417 360 HA CYS 54 HA CYS 54 5.583 -12.245 6.237 361 HB2 CYS 54 HB2 CYS 54 8.002 -11.033 4.885 362 HB3 CYS 54 HB3 CYS 54 6.684 -11.859 4.065 363 H GLY 55 H GLY 55 5.913 -14.429 5.549 364 HA2 GLY 55 HA2 GLY 55 6.869 -16.475 5.587 365 HA3 GLY 55 HA3 GLY 55 8.440 -15.676 5.473 366 H ASN 56 H ASN 56 9.402 -14.891 7.448 367 HA ASN 56 HA ASN 56 8.796 -16.487 9.777 368 HB2 ASN 56 HB2 ASN 56 10.920 -14.462 9.100 369 HB3 ASN 56 HB3 ASN 56 10.662 -14.948 10.771 370 HD21 ASN 56 HD21 ASN 56 11.201 -17.013 11.415 371 HD22 ASN 56 HD22 ASN 56 12.153 -18.072 10.436 372 H GLY 57 H GLY 57 9.247 -14.472 11.871 373 HA2 GLY 57 HA2 GLY 57 7.824 -13.194 13.105 374 HA3 GLY 57 HA3 GLY 57 7.393 -12.405 11.584 375 H GLY 58 H GLY 58 6.916 -15.449 13.221 376 HA2 GLY 58 HA2 GLY 58 4.111 -15.503 12.822 377 HA3 GLY 58 HA3 GLY 58 4.911 -16.480 11.595 378 H GLY 59 H GLY 59 3.167 -17.568 13.407 379 HA2 GLY 59 HA2 GLY 59 3.249 -19.639 14.523 380 HA3 GLY 59 HA3 GLY 59 4.974 -19.388 14.807 381 H GLU 60 H GLU 60 2.373 -19.773 16.543 382 HA GLU 60 HA GLU 60 3.183 -18.161 18.657 383 HB2 GLU 60 HB2 GLU 60 2.086 -16.463 17.075 384 HB3 GLU 60 HB3 GLU 60 0.568 -17.249 17.482 385 HG2 GLU 60 HG2 GLU 60 1.017 -15.216 18.805 386 HG3 GLU 60 HG3 GLU 60 0.813 -16.666 19.785 387 H TRP 61 H TRP 61 1.597 -18.268 20.403 388 HA TRP 61 HA TRP 61 -0.410 -20.211 20.371 389 HB2 TRP 61 HB2 TRP 61 0.673 -21.913 21.865 390 HB3 TRP 61 HB3 TRP 61 1.268 -21.897 20.208 391 HD1 TRP 61 HD1 TRP 61 2.230 -21.644 23.746 392 HE1 TRP 61 HE1 TRP 61 4.812 -21.376 23.977 393 HE3 TRP 61 HE3 TRP 61 3.374 -20.806 18.863 394 HZ2 TRP 61 HZ2 TRP 61 7.006 -20.897 22.265 395 HZ3 TRP 61 HZ3 TRP 61 5.722 -20.467 18.224 396 HH2 TRP 61 HH2 TRP 61 7.501 -20.511 19.892 397 HA PRO 62 HA PRO 62 -0.315 -17.438 24.035 398 HB2 PRO 62 HB2 PRO 62 -1.984 -15.512 23.223 399 HB3 PRO 62 HB3 PRO 62 -0.296 -15.549 22.707 400 HG2 PRO 62 HG2 PRO 62 -2.743 -16.145 21.162 401 HG3 PRO 62 HG3 PRO 62 -1.149 -15.632 20.589 402 HD2 PRO 62 HD2 PRO 62 -2.244 -18.299 20.689 403 HD3 PRO 62 HD3 PRO 62 -0.664 -17.795 20.068 404 H ASN 63 H ASN 63 -2.487 -19.412 22.597 405 HA ASN 63 HA ASN 63 -4.357 -19.250 24.835 406 HB2 ASN 63 HB2 ASN 63 -5.178 -17.825 22.873 407 HB3 ASN 63 HB3 ASN 63 -5.337 -19.322 21.969 408 HD21 ASN 63 HD21 ASN 63 -7.037 -20.686 22.413 409 HD22 ASN 63 HD22 ASN 63 -8.354 -20.241 23.441 410 H LEU 64 H LEU 64 -2.260 -20.994 23.277 411 HA LEU 64 HA LEU 64 -1.763 -23.183 23.056 412 HB2 LEU 64 HB2 LEU 64 -4.463 -23.748 24.290 413 HB3 LEU 64 HB3 LEU 64 -3.191 -24.922 24.035 414 HG LEU 64 HG LEU 64 -3.117 -22.587 25.947 415 HD11 LEU 64 HD11 LEU 64 -3.061 -24.303 27.669 416 HD12 LEU 64 HD12 LEU 64 -3.174 -25.556 26.436 417 HD13 LEU 64 HD13 LEU 64 -4.516 -24.442 26.683 418 HD21 LEU 64 HD21 LEU 64 -0.959 -23.498 26.680 419 HD22 LEU 64 HD22 LEU 64 -0.908 -22.958 25.002 420 HD23 LEU 64 HD23 LEU 64 -1.021 -24.679 25.371 421 HA PRO 65 HA PRO 65 -3.887 -23.411 19.131 422 HB2 PRO 65 HB2 PRO 65 -1.802 -24.210 17.688 423 HB3 PRO 65 HB3 PRO 65 -1.863 -22.571 18.352 424 HG2 PRO 65 HG2 PRO 65 -0.345 -24.954 19.323 425 HG3 PRO 65 HG3 PRO 65 0.157 -23.257 19.251 426 HD2 PRO 65 HD2 PRO 65 -0.811 -24.558 21.517 427 HD3 PRO 65 HD3 PRO 65 -0.745 -22.805 21.304 428 H SER 66 H SER 66 -4.523 -25.463 20.868 429 HA SER 66 HA SER 66 -3.685 -27.984 19.779 430 HB2 SER 66 HB2 SER 66 -5.940 -27.419 21.709 431 HB3 SER 66 HB3 SER 66 -5.129 -28.965 21.448 432 HG SER 66 HG SER 66 -3.206 -27.337 21.982 433 H ARG 67 H ARG 67 -5.780 -25.682 18.758 434 HA ARG 67 HA ARG 67 -7.796 -27.435 17.633 435 HB2 ARG 67 HB2 ARG 67 -8.639 -25.256 16.654 436 HB3 ARG 67 HB3 ARG 67 -8.637 -25.362 18.410 437 HG2 ARG 67 HG2 ARG 67 -6.877 -23.875 18.630 438 HG3 ARG 67 HG3 ARG 67 -6.312 -24.148 16.985 439 HD2 ARG 67 HD2 ARG 67 -8.921 -22.809 17.655 440 HD3 ARG 67 HD3 ARG 67 -7.414 -21.932 17.393 441 HE ARG 67 HE ARG 67 -7.864 -23.634 15.202 442 HH11 ARG 67 HH11 ARG 67 -9.194 -20.707 16.630 443 HH12 ARG 67 HH12 ARG 67 -9.755 -20.085 15.113 444 HH21 ARG 67 HH21 ARG 67 -8.613 -22.823 13.230 445 HH22 ARG 67 HH22 ARG 67 -9.419 -21.288 13.167 446 H GLY 68 H GLY 68 -8.338 -26.533 15.224 447 HA2 GLY 68 HA2 GLY 68 -5.850 -26.911 13.697 448 HA3 GLY 68 HA3 GLY 68 -7.442 -27.434 13.162 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 4.474 3.550 -19.310 2 H2 GLY 1 H2 GLY 1 3.677 5.038 -19.342 3 H3 GLY 1 H3 GLY 1 2.954 3.677 -20.038 4 HA2 GLY 1 HA2 GLY 1 2.784 2.624 -17.879 5 HA3 GLY 1 HA3 GLY 1 3.538 4.038 -17.157 6 H SER 2 H SER 2 0.668 2.842 -18.810 7 HA SER 2 HA SER 2 -0.780 5.306 -18.360 8 HB2 SER 2 HB2 SER 2 -1.856 2.643 -19.315 9 HB3 SER 2 HB3 SER 2 -2.621 4.222 -19.484 10 HG SER 2 HG SER 2 -0.737 3.032 -21.039 11 H ALA 3 H ALA 3 -0.289 5.116 -15.988 12 HA ALA 3 HA ALA 3 -2.576 3.946 -14.651 13 HB1 ALA 3 HB1 ALA 3 -1.224 2.753 -12.991 14 HB2 ALA 3 HB2 ALA 3 0.237 3.165 -13.887 15 HB3 ALA 3 HB3 ALA 3 -0.974 2.109 -14.614 16 H LEU 4 H LEU 4 -3.044 4.930 -12.708 17 HA LEU 4 HA LEU 4 -1.846 7.509 -12.324 18 HB2 LEU 4 HB2 LEU 4 -3.519 7.915 -10.651 19 HB3 LEU 4 HB3 LEU 4 -4.273 7.168 -12.041 20 HG LEU 4 HG LEU 4 -3.485 5.393 -9.780 21 HD11 LEU 4 HD11 LEU 4 -4.537 7.287 -8.653 22 HD12 LEU 4 HD12 LEU 4 -5.596 5.877 -8.630 23 HD13 LEU 4 HD13 LEU 4 -5.908 7.195 -9.759 24 HD21 LEU 4 HD21 LEU 4 -5.552 4.250 -10.450 25 HD22 LEU 4 HD22 LEU 4 -4.460 4.451 -11.817 26 HD23 LEU 4 HD23 LEU 4 -5.858 5.508 -11.644 27 H ASP 5 H ASP 5 -1.704 4.379 -10.745 28 HA ASP 5 HA ASP 5 0.398 5.466 -9.029 29 HB2 ASP 5 HB2 ASP 5 -0.385 4.239 -7.142 30 HB3 ASP 5 HB3 ASP 5 -1.796 5.068 -7.792 31 H PHE 6 H PHE 6 2.119 4.075 -8.683 32 HA PHE 6 HA PHE 6 2.070 1.612 -10.262 33 HB2 PHE 6 HB2 PHE 6 4.553 1.727 -10.225 34 HB3 PHE 6 HB3 PHE 6 3.836 3.136 -10.987 35 HD1 PHE 6 HD2 PHE 6 3.918 5.325 -9.860 36 HD2 PHE 6 HD1 PHE 6 5.812 1.896 -8.200 37 HE1 PHE 6 HE2 PHE 6 5.251 6.779 -8.387 38 HE2 PHE 6 HE1 PHE 6 7.150 3.341 -6.727 39 HZ PHE 6 HZ PHE 6 6.876 5.785 -6.818 40 H THR 7 H THR 7 2.354 2.992 -7.165 41 HA THR 7 HA THR 7 2.637 0.337 -5.973 42 HB THR 7 HB THR 7 4.641 1.601 -5.466 43 HG1 THR 7 HG1 THR 7 4.176 0.537 -3.651 44 HG21 THR 7 HG21 THR 7 3.760 3.842 -5.909 45 HG22 THR 7 HG22 THR 7 4.550 3.764 -4.333 46 HG23 THR 7 HG23 THR 7 2.788 3.751 -4.438 47 H SER 8 H SER 8 1.432 0.042 -4.012 48 HA SER 8 HA SER 8 -1.144 1.270 -4.138 49 HB2 SER 8 HB2 SER 8 -0.002 -0.644 -2.092 50 HB3 SER 8 HB3 SER 8 -1.706 -0.216 -2.266 51 HG SER 8 HG SER 8 -1.789 -1.769 -3.667 52 H CYS 9 H CYS 9 1.772 2.019 -2.506 53 HA CYS 9 HA CYS 9 0.348 3.528 -0.452 54 HB2 CYS 9 HB2 CYS 9 3.185 2.636 -0.726 55 HB3 CYS 9 HB3 CYS 9 2.755 3.935 0.384 56 H ALA 10 H ALA 10 0.990 4.221 -3.458 57 HA ALA 10 HA ALA 10 2.502 6.580 -3.475 58 HB1 ALA 10 HB1 ALA 10 1.797 5.387 -5.501 59 HB2 ALA 10 HB2 ALA 10 1.389 7.103 -5.575 60 HB3 ALA 10 HB3 ALA 10 0.136 5.910 -5.223 61 H ARG 11 H ARG 11 -0.828 6.030 -2.596 62 HA ARG 11 HA ARG 11 -1.656 8.726 -2.653 63 HB2 ARG 11 HB2 ARG 11 -3.550 7.871 -1.106 64 HB3 ARG 11 HB3 ARG 11 -3.486 7.338 -2.773 65 HG2 ARG 11 HG2 ARG 11 -2.165 5.645 -0.731 66 HG3 ARG 11 HG3 ARG 11 -3.927 5.680 -0.766 67 HD2 ARG 11 HD2 ARG 11 -2.099 4.965 -3.062 68 HD3 ARG 11 HD3 ARG 11 -3.089 3.856 -2.123 69 HE ARG 11 HE ARG 11 -4.740 5.834 -3.246 70 HH11 ARG 11 HH11 ARG 11 -2.812 3.067 -4.210 71 HH12 ARG 11 HH12 ARG 11 -3.772 2.728 -5.610 72 HH21 ARG 11 HH21 ARG 11 -6.002 5.381 -5.088 73 HH22 ARG 11 HH22 ARG 11 -5.593 4.038 -6.107 74 H MET 12 H MET 12 0.473 7.202 -0.527 75 HA MET 12 HA MET 12 -0.061 8.298 1.936 76 HB2 MET 12 HB2 MET 12 2.268 8.096 2.447 77 HB3 MET 12 HB3 MET 12 1.842 6.755 1.391 78 HG2 MET 12 HG2 MET 12 3.002 7.637 -0.413 79 HG3 MET 12 HG3 MET 12 2.985 9.269 0.243 80 HE1 MET 12 HE1 MET 12 3.962 5.994 2.245 81 HE2 MET 12 HE2 MET 12 5.682 5.881 1.861 82 HE3 MET 12 HE3 MET 12 4.477 5.673 0.590 83 H ASN 13 H ASN 13 0.705 10.050 -0.975 84 HA ASN 13 HA ASN 13 1.314 12.383 0.702 85 HB2 ASN 13 HB2 ASN 13 2.469 13.389 -1.247 86 HB3 ASN 13 HB3 ASN 13 3.232 11.906 -0.697 87 HD21 ASN 13 HD21 ASN 13 3.308 10.167 -2.042 88 HD22 ASN 13 HD22 ASN 13 2.806 10.218 -3.694 89 H ASP 14 H ASP 14 -1.297 11.332 0.036 90 HA ASP 14 HA ASP 14 -2.359 13.436 -1.727 91 HB2 ASP 14 HB2 ASP 14 -2.901 11.001 -2.276 92 HB3 ASP 14 HB3 ASP 14 -3.786 10.943 -0.762 93 H GLY 15 H GLY 15 -1.559 13.407 1.275 94 HA2 GLY 15 HA2 GLY 15 -2.493 14.881 2.871 95 HA3 GLY 15 HA3 GLY 15 -4.094 14.490 2.265 96 H ALA 16 H ALA 16 -3.938 14.387 4.880 97 HA ALA 16 HA ALA 16 -2.994 12.127 6.150 98 HB1 ALA 16 HB1 ALA 16 -4.600 12.608 7.905 99 HB2 ALA 16 HB2 ALA 16 -5.504 13.655 6.810 100 HB3 ALA 16 HB3 ALA 16 -3.870 14.097 7.306 101 H LEU 17 H LEU 17 -5.948 12.495 4.272 102 HA LEU 17 HA LEU 17 -7.064 9.985 5.095 103 HB2 LEU 17 HB2 LEU 17 -8.110 12.159 3.859 104 HB3 LEU 17 HB3 LEU 17 -7.824 11.134 2.468 105 HG LEU 17 HG LEU 17 -10.123 10.920 3.233 106 HD11 LEU 17 HD11 LEU 17 -8.534 8.437 3.839 107 HD12 LEU 17 HD12 LEU 17 -9.092 8.952 2.247 108 HD13 LEU 17 HD13 LEU 17 -10.261 8.503 3.488 109 HD21 LEU 17 HD21 LEU 17 -9.783 11.505 5.575 110 HD22 LEU 17 HD22 LEU 17 -8.958 9.970 5.847 111 HD23 LEU 17 HD23 LEU 17 -10.667 9.988 5.416 112 H GLY 18 H GLY 18 -5.081 11.155 2.445 113 HA2 GLY 18 HA2 GLY 18 -4.968 8.838 0.850 114 HA3 GLY 18 HA3 GLY 18 -3.711 10.057 0.979 115 H ALA 19 H ALA 19 -3.221 9.757 3.759 116 HA ALA 19 HA ALA 19 -1.303 7.685 3.725 117 HB1 ALA 19 HB1 ALA 19 -1.019 9.684 5.098 118 HB2 ALA 19 HB2 ALA 19 -0.977 8.231 6.095 119 HB3 ALA 19 HB3 ALA 19 -2.428 9.234 6.055 120 H LYS 20 H LYS 20 -4.567 7.976 4.728 121 HA LYS 20 HA LYS 20 -4.640 5.599 6.265 122 HB2 LYS 20 HB2 LYS 20 -6.230 7.608 6.405 123 HB3 LYS 20 HB3 LYS 20 -7.011 6.930 4.984 124 HG2 LYS 20 HG2 LYS 20 -8.138 6.302 7.065 125 HG3 LYS 20 HG3 LYS 20 -7.518 4.900 6.182 126 HD2 LYS 20 HD2 LYS 20 -7.044 4.733 8.581 127 HD3 LYS 20 HD3 LYS 20 -5.574 4.837 7.605 128 HE2 LYS 20 HE2 LYS 20 -5.301 7.133 8.119 129 HE3 LYS 20 HE3 LYS 20 -6.840 7.186 8.979 130 HZ1 LYS 20 HZ1 LYS 20 -4.980 7.024 10.516 131 HZ2 LYS 20 HZ2 LYS 20 -4.455 5.598 9.778 132 HZ3 LYS 20 HZ3 LYS 20 -5.929 5.628 10.604 133 H VAL 21 H VAL 21 -5.677 6.528 3.035 134 HA VAL 21 HA VAL 21 -6.652 4.037 2.224 135 HB VAL 21 HB VAL 21 -5.348 6.160 0.498 136 HG11 VAL 21 HG11 VAL 21 -6.790 5.244 -1.272 137 HG12 VAL 21 HG12 VAL 21 -7.326 3.983 -0.157 138 HG13 VAL 21 HG13 VAL 21 -5.640 4.051 -0.663 139 HG21 VAL 21 HG21 VAL 21 -8.225 5.866 1.360 140 HG22 VAL 21 HG22 VAL 21 -7.619 7.041 0.191 141 HG23 VAL 21 HG23 VAL 21 -7.103 7.122 1.877 142 H ALA 22 H ALA 22 -3.474 5.518 1.938 143 HA ALA 22 HA ALA 22 -2.148 3.504 0.548 144 HB1 ALA 22 HB1 ALA 22 -1.221 5.752 0.964 145 HB2 ALA 22 HB2 ALA 22 -0.092 4.473 1.405 146 HB3 ALA 22 HB3 ALA 22 -0.992 5.325 2.658 147 H GLN 23 H GLN 23 -2.269 4.028 4.070 148 HA GLN 23 HA GLN 23 -0.804 1.716 4.711 149 HB2 GLN 23 HB2 GLN 23 -1.347 2.110 6.977 150 HB3 GLN 23 HB3 GLN 23 -1.253 3.691 6.220 151 HG2 GLN 23 HG2 GLN 23 -3.699 3.742 6.062 152 HG3 GLN 23 HG3 GLN 23 -3.753 2.183 6.888 153 HE21 GLN 23 HE21 GLN 23 -3.305 2.078 9.050 154 HE22 GLN 23 HE22 GLN 23 -3.208 3.474 10.066 155 H ALA 24 H ALA 24 -4.288 2.253 4.356 156 HA ALA 24 HA ALA 24 -5.130 -0.230 5.362 157 HB1 ALA 24 HB1 ALA 24 -6.641 1.673 5.029 158 HB2 ALA 24 HB2 ALA 24 -7.235 0.224 4.218 159 HB3 ALA 24 HB3 ALA 24 -6.463 1.506 3.282 160 H ALA 25 H ALA 25 -4.467 0.846 2.063 161 HA ALA 25 HA ALA 25 -5.045 -1.608 0.803 162 HB1 ALA 25 HB1 ALA 25 -3.842 -0.692 -1.115 163 HB2 ALA 25 HB2 ALA 25 -3.181 0.590 -0.098 164 HB3 ALA 25 HB3 ALA 25 -4.915 0.518 -0.412 165 H CYS 26 H CYS 26 -2.186 -0.335 2.388 166 HA CYS 26 HA CYS 26 -0.391 -2.271 1.331 167 HB2 CYS 26 HB2 CYS 26 0.263 0.008 2.151 168 HB3 CYS 26 HB3 CYS 26 -0.069 -0.542 3.790 169 H ILE 27 H ILE 27 -1.845 -1.788 4.571 170 HA ILE 27 HA ILE 27 -0.785 -4.025 5.827 171 HB ILE 27 HB ILE 27 -3.497 -2.764 6.302 172 HG12 ILE 27 HG12 ILE 27 -0.873 -2.235 7.714 173 HG13 ILE 27 HG13 ILE 27 -1.547 -1.207 6.460 174 HG21 ILE 27 HG21 ILE 27 -3.429 -4.912 7.351 175 HG22 ILE 27 HG22 ILE 27 -3.241 -3.687 8.604 176 HG23 ILE 27 HG23 ILE 27 -1.837 -4.590 8.032 177 HD11 ILE 27 HD11 ILE 27 -1.975 -0.316 8.675 178 HD12 ILE 27 HD12 ILE 27 -2.817 -1.801 9.120 179 HD13 ILE 27 HD13 ILE 27 -3.479 -0.754 7.865 180 H SER 28 H SER 28 -3.936 -3.749 4.192 181 HA SER 28 HA SER 28 -4.693 -6.413 4.596 182 HB2 SER 28 HB2 SER 28 -6.278 -6.032 2.699 183 HB3 SER 28 HB3 SER 28 -6.343 -4.801 3.960 184 HG SER 28 HG SER 28 -5.449 -3.353 2.640 185 H SER 29 H SER 29 -2.988 -4.906 1.868 186 HA SER 29 HA SER 29 -2.885 -7.189 0.228 187 HB2 SER 29 HB2 SER 29 -2.395 -4.788 -0.446 188 HB3 SER 29 HB3 SER 29 -0.818 -4.984 0.314 189 HG SER 29 HG SER 29 -1.421 -5.564 -2.120 190 H CYS 30 H CYS 30 -0.867 -6.059 2.861 191 HA CYS 30 HA CYS 30 1.255 -7.880 2.450 192 HB2 CYS 30 HB2 CYS 30 0.360 -6.297 4.849 193 HB3 CYS 30 HB3 CYS 30 1.801 -7.309 4.856 194 H LYS 31 H LYS 31 -1.571 -7.926 4.577 195 HA LYS 31 HA LYS 31 -1.110 -10.365 5.799 196 HB2 LYS 31 HB2 LYS 31 -3.771 -9.187 5.008 197 HB3 LYS 31 HB3 LYS 31 -3.501 -10.393 6.260 198 HG2 LYS 31 HG2 LYS 31 -2.469 -8.863 7.686 199 HG3 LYS 31 HG3 LYS 31 -2.141 -7.733 6.376 200 HD2 LYS 31 HD2 LYS 31 -3.895 -6.692 7.378 201 HD3 LYS 31 HD3 LYS 31 -4.746 -7.669 6.190 202 HE2 LYS 31 HE2 LYS 31 -4.344 -8.367 9.103 203 HE3 LYS 31 HE3 LYS 31 -5.828 -7.760 8.380 204 HZ1 LYS 31 HZ1 LYS 31 -5.904 -10.155 8.677 205 HZ2 LYS 31 HZ2 LYS 31 -4.526 -10.354 7.740 206 HZ3 LYS 31 HZ3 LYS 31 -5.950 -9.771 7.033 207 H PHE 32 H PHE 32 -2.672 -9.669 2.693 208 HA PHE 32 HA PHE 32 -3.551 -12.246 2.116 209 HB2 PHE 32 HB2 PHE 32 -2.901 -9.848 0.468 210 HB3 PHE 32 HB3 PHE 32 -3.284 -11.368 -0.318 211 HD1 PHE 32 HD1 PHE 32 -5.463 -12.545 0.739 212 HD2 PHE 32 HD2 PHE 32 -4.623 -8.377 0.774 213 HE1 PHE 32 HE1 PHE 32 -7.857 -12.069 1.000 214 HE2 PHE 32 HE2 PHE 32 -7.018 -7.891 1.037 215 HZ PHE 32 HZ PHE 32 -8.640 -9.739 1.152 216 H GLN 33 H GLN 33 -0.362 -10.840 1.788 217 HA GLN 33 HA GLN 33 0.568 -13.211 0.336 218 HB2 GLN 33 HB2 GLN 33 2.684 -11.949 0.046 219 HB3 GLN 33 HB3 GLN 33 1.287 -11.114 -0.616 220 HG2 GLN 33 HG2 GLN 33 1.211 -9.764 1.465 221 HG3 GLN 33 HG3 GLN 33 2.736 -10.512 1.943 222 HE21 GLN 33 HE21 GLN 33 1.176 -8.293 -0.181 223 HE22 GLN 33 HE22 GLN 33 2.609 -7.568 -0.822 224 H ASN 34 H ASN 34 -0.138 -12.876 3.266 225 HA ASN 34 HA ASN 34 0.374 -13.985 5.162 226 HB2 ASN 34 HB2 ASN 34 1.224 -15.803 3.627 227 HB3 ASN 34 HB3 ASN 34 2.834 -15.110 3.808 228 HD21 ASN 34 HD21 ASN 34 3.648 -16.956 4.797 229 HD22 ASN 34 HD22 ASN 34 3.222 -17.398 6.415 230 H CYS 35 H CYS 35 0.998 -11.384 5.049 231 HA CYS 35 HA CYS 35 3.450 -11.294 6.642 232 HB2 CYS 35 HB2 CYS 35 2.192 -9.223 4.860 233 HB3 CYS 35 HB3 CYS 35 3.422 -8.820 6.053 234 H GLY 36 H GLY 36 3.299 -10.518 8.638 235 HA2 GLY 36 HA2 GLY 36 0.877 -10.507 10.018 236 HA3 GLY 36 HA3 GLY 36 2.355 -9.772 10.617 237 H THR 37 H THR 37 2.649 -7.797 8.723 238 HA THR 37 HA THR 37 0.213 -6.266 8.554 239 HB THR 37 HB THR 37 0.864 -5.880 10.918 240 HG1 THR 37 HG1 THR 37 1.243 -3.370 10.332 241 HG21 THR 37 HG21 THR 37 3.290 -6.059 10.695 242 HG22 THR 37 HG22 THR 37 2.851 -4.512 11.419 243 HG23 THR 37 HG23 THR 37 3.321 -4.589 9.721 244 H GLY 38 H GLY 38 0.936 -3.869 8.005 245 HA2 GLY 38 HA2 GLY 38 3.231 -3.835 6.236 246 HA3 GLY 38 HA3 GLY 38 1.664 -3.689 5.443 247 H HIS 39 H HIS 39 3.852 -1.767 5.582 248 HA HIS 39 HA HIS 39 2.206 0.465 6.362 249 HB2 HIS 39 HB2 HIS 39 3.736 1.525 7.848 250 HB3 HIS 39 HB3 HIS 39 3.580 -0.124 8.421 251 HD1 HIS 39 HD1 HIS 39 5.719 -1.494 8.582 252 HD2 HIS 39 HD2 HIS 39 6.243 2.119 6.594 253 HE1 HIS 39 HE1 HIS 39 8.213 -1.215 8.297 254 HE2 HIS 39 HE2 HIS 39 8.508 1.031 7.215 255 H CYS 40 H CYS 40 2.881 2.418 5.408 256 HA CYS 40 HA CYS 40 4.253 1.918 2.924 257 HB2 CYS 40 HB2 CYS 40 2.941 4.422 3.960 258 HB3 CYS 40 HB3 CYS 40 3.508 4.144 2.315 259 H GLU 41 H GLU 41 6.266 2.422 2.485 260 HA GLU 41 HA GLU 41 7.645 4.348 4.211 261 HB2 GLU 41 HB2 GLU 41 8.036 1.863 4.814 262 HB3 GLU 41 HB3 GLU 41 8.950 1.791 3.321 263 HG2 GLU 41 HG2 GLU 41 10.568 3.296 4.113 264 HG3 GLU 41 HG3 GLU 41 9.549 3.786 5.468 265 H ARG 42 H ARG 42 9.155 5.613 3.116 266 HA ARG 42 HA ARG 42 9.019 5.394 0.226 267 HB2 ARG 42 HB2 ARG 42 9.983 7.575 2.051 268 HB3 ARG 42 HB3 ARG 42 10.265 7.608 0.318 269 HG2 ARG 42 HG2 ARG 42 7.856 7.470 -0.055 270 HG3 ARG 42 HG3 ARG 42 7.593 7.547 1.693 271 HD2 ARG 42 HD2 ARG 42 7.310 9.755 0.971 272 HD3 ARG 42 HD3 ARG 42 8.966 9.713 1.577 273 HE ARG 42 HE ARG 42 8.879 9.138 -1.201 274 HH11 ARG 42 HH11 ARG 42 8.735 11.784 1.112 275 HH12 ARG 42 HH12 ARG 42 9.232 12.986 -0.028 276 HH21 ARG 42 HH21 ARG 42 9.510 10.751 -2.733 277 HH22 ARG 42 HH22 ARG 42 9.683 12.398 -2.220 278 H ARG 43 H ARG 43 10.493 4.511 -0.916 279 HA ARG 43 HA ARG 43 13.134 4.030 0.255 280 HB2 ARG 43 HB2 ARG 43 11.767 2.708 -2.098 281 HB3 ARG 43 HB3 ARG 43 13.343 2.277 -1.457 282 HG2 ARG 43 HG2 ARG 43 10.735 2.035 0.032 283 HG3 ARG 43 HG3 ARG 43 11.579 0.715 -0.779 284 HD2 ARG 43 HD2 ARG 43 13.563 1.270 0.696 285 HD3 ARG 43 HD3 ARG 43 12.468 2.301 1.617 286 HE ARG 43 HE ARG 43 11.210 -0.129 1.476 287 HH11 ARG 43 HH11 ARG 43 14.266 1.039 2.700 288 HH12 ARG 43 HH12 ARG 43 14.440 -0.214 3.872 289 HH21 ARG 43 HH21 ARG 43 11.427 -1.817 3.013 290 HH22 ARG 43 HH22 ARG 43 12.803 -1.856 4.057 291 H GLY 44 H GLY 44 14.281 5.832 -0.263 292 HA2 GLY 44 HA2 GLY 44 15.407 7.351 -1.567 293 HA3 GLY 44 HA3 GLY 44 15.262 6.173 -2.865 294 H GLY 45 H GLY 45 12.996 8.260 -1.077 295 HA2 GLY 45 HA2 GLY 45 11.550 9.851 -1.846 296 HA3 GLY 45 HA3 GLY 45 12.288 9.709 -3.430 297 H ARG 46 H ARG 46 11.639 6.706 -3.159 298 HA ARG 46 HA ARG 46 9.080 7.038 -4.499 299 HB2 ARG 46 HB2 ARG 46 10.848 4.608 -4.313 300 HB3 ARG 46 HB3 ARG 46 9.418 4.772 -5.324 301 HG2 ARG 46 HG2 ARG 46 11.912 6.435 -5.544 302 HG3 ARG 46 HG3 ARG 46 11.481 5.080 -6.599 303 HD2 ARG 46 HD2 ARG 46 9.424 6.318 -7.236 304 HD3 ARG 46 HD3 ARG 46 9.988 7.674 -6.261 305 HE ARG 46 HE ARG 46 11.993 6.976 -8.079 306 HH11 ARG 46 HH11 ARG 46 8.825 8.468 -8.008 307 HH12 ARG 46 HH12 ARG 46 9.055 9.328 -9.492 308 HH21 ARG 46 HH21 ARG 46 12.315 8.158 -10.025 309 HH22 ARG 46 HH22 ARG 46 11.048 9.174 -10.618 310 HA PRO 47 HA PRO 47 7.069 5.664 -0.711 311 HB2 PRO 47 HB2 PRO 47 4.546 5.843 -1.759 312 HB3 PRO 47 HB3 PRO 47 5.421 7.217 -1.074 313 HG2 PRO 47 HG2 PRO 47 5.078 6.428 -3.936 314 HG3 PRO 47 HG3 PRO 47 5.011 8.041 -3.204 315 HD2 PRO 47 HD2 PRO 47 7.178 7.166 -4.519 316 HD3 PRO 47 HD3 PRO 47 7.309 8.228 -3.101 317 H THR 48 H THR 48 6.919 3.543 -0.247 318 HA THR 48 HA THR 48 5.699 1.800 -2.258 319 HB THR 48 HB THR 48 8.189 0.974 -0.749 320 HG1 THR 48 HG1 THR 48 8.382 2.887 -2.288 321 HG21 THR 48 HG21 THR 48 8.364 -0.675 -2.568 322 HG22 THR 48 HG22 THR 48 6.893 -0.022 -3.293 323 HG23 THR 48 HG23 THR 48 6.822 -0.818 -1.720 324 H CYS 49 H CYS 49 4.819 -0.156 -1.380 325 HA CYS 49 HA CYS 49 4.050 0.070 1.411 326 HB2 CYS 49 HB2 CYS 49 2.232 -0.420 -0.059 327 HB3 CYS 49 HB3 CYS 49 3.141 -1.681 -0.879 328 H VAL 50 H VAL 50 5.518 -0.734 2.801 329 HA VAL 50 HA VAL 50 6.842 -3.203 2.008 330 HB VAL 50 HB VAL 50 8.650 -2.683 3.542 331 HG11 VAL 50 HG11 VAL 50 7.987 -0.302 1.813 332 HG12 VAL 50 HG12 VAL 50 8.806 -1.774 1.286 333 HG13 VAL 50 HG13 VAL 50 9.582 -0.701 2.453 334 HG21 VAL 50 HG21 VAL 50 8.754 -0.554 4.750 335 HG22 VAL 50 HG22 VAL 50 7.392 -1.543 5.280 336 HG23 VAL 50 HG23 VAL 50 7.120 -0.172 4.205 337 H CYS 51 H CYS 51 6.417 -4.973 3.085 338 HA CYS 51 HA CYS 51 4.504 -4.801 5.242 339 HB2 CYS 51 HB2 CYS 51 5.562 -7.268 3.883 340 HB3 CYS 51 HB3 CYS 51 4.144 -7.137 4.907 341 H SER 52 H SER 52 4.729 -5.880 7.202 342 HA SER 52 HA SER 52 7.489 -6.549 7.938 343 HB2 SER 52 HB2 SER 52 5.442 -5.168 9.690 344 HB3 SER 52 HB3 SER 52 7.118 -5.527 10.111 345 HG SER 52 HG SER 52 7.226 -4.213 7.862 346 H ARG 53 H ARG 53 7.700 -8.156 9.577 347 HA ARG 53 HA ARG 53 7.264 -10.176 10.519 348 HB2 ARG 53 HB2 ARG 53 4.387 -9.232 10.604 349 HB3 ARG 53 HB3 ARG 53 5.064 -10.560 11.530 350 HG2 ARG 53 HG2 ARG 53 5.811 -7.650 11.823 351 HG3 ARG 53 HG3 ARG 53 4.735 -8.550 12.888 352 HD2 ARG 53 HD2 ARG 53 6.728 -8.625 14.047 353 HD3 ARG 53 HD3 ARG 53 6.771 -10.147 13.158 354 HE ARG 53 HE ARG 53 8.096 -7.803 12.002 355 HH11 ARG 53 HH11 ARG 53 8.371 -10.954 13.549 356 HH12 ARG 53 HH12 ARG 53 10.047 -11.122 13.167 357 HH21 ARG 53 HH21 ARG 53 10.311 -8.038 11.508 358 HH22 ARG 53 HH22 ARG 53 11.157 -9.460 12.007 359 H CYS 54 H CYS 54 7.614 -10.359 7.950 360 HA CYS 54 HA CYS 54 5.374 -11.826 6.741 361 HB2 CYS 54 HB2 CYS 54 7.937 -10.786 5.528 362 HB3 CYS 54 HB3 CYS 54 6.692 -11.662 4.648 363 H GLY 55 H GLY 55 5.811 -13.888 5.645 364 HA2 GLY 55 HA2 GLY 55 7.508 -15.610 7.104 365 HA3 GLY 55 HA3 GLY 55 6.727 -15.966 5.557 366 H ASN 56 H ASN 56 9.666 -15.943 6.832 367 HA ASN 56 HA ASN 56 10.931 -15.211 4.358 368 HB2 ASN 56 HB2 ASN 56 12.398 -13.500 5.215 369 HB3 ASN 56 HB3 ASN 56 10.739 -13.020 5.546 370 HD21 ASN 56 HD21 ASN 56 9.982 -13.081 7.692 371 HD22 ASN 56 HD22 ASN 56 11.082 -13.104 9.028 372 H GLY 57 H GLY 57 13.097 -15.882 4.226 373 HA2 GLY 57 HA2 GLY 57 14.680 -16.913 6.208 374 HA3 GLY 57 HA3 GLY 57 13.638 -18.240 5.713 375 H GLY 58 H GLY 58 13.594 -18.771 3.363 376 HA2 GLY 58 HA2 GLY 58 14.626 -19.144 1.371 377 HA3 GLY 58 HA3 GLY 58 15.714 -17.810 1.726 378 H GLY 59 H GLY 59 15.471 -20.284 4.123 379 HA2 GLY 59 HA2 GLY 59 16.823 -22.100 4.552 380 HA3 GLY 59 HA3 GLY 59 17.688 -21.792 3.050 381 H GLU 60 H GLU 60 19.718 -21.884 3.948 382 HA GLU 60 HA GLU 60 20.574 -19.454 5.206 383 HB2 GLU 60 HB2 GLU 60 19.902 -20.814 7.152 384 HB3 GLU 60 HB3 GLU 60 20.967 -22.099 6.603 385 HG2 GLU 60 HG2 GLU 60 21.910 -20.801 8.457 386 HG3 GLU 60 HG3 GLU 60 22.902 -20.738 7.003 387 H TRP 61 H TRP 61 22.808 -19.245 5.152 388 HA TRP 61 HA TRP 61 24.237 -21.196 3.486 389 HB2 TRP 61 HB2 TRP 61 24.258 -18.212 2.974 390 HB3 TRP 61 HB3 TRP 61 25.135 -19.436 2.069 391 HD1 TRP 61 HD1 TRP 61 23.440 -21.296 0.781 392 HE1 TRP 61 HE1 TRP 61 21.267 -20.797 -0.506 393 HE3 TRP 61 HE3 TRP 61 22.352 -16.719 2.772 394 HZ2 TRP 61 HZ2 TRP 61 19.347 -18.735 -0.657 395 HZ3 TRP 61 HZ3 TRP 61 20.330 -15.547 2.004 396 HH2 TRP 61 HH2 TRP 61 18.859 -16.536 0.324 397 HA PRO 62 HA PRO 62 26.720 -20.005 7.169 398 HB2 PRO 62 HB2 PRO 62 28.074 -22.402 7.213 399 HB3 PRO 62 HB3 PRO 62 26.563 -22.102 8.074 400 HG2 PRO 62 HG2 PRO 62 27.027 -23.490 5.474 401 HG3 PRO 62 HG3 PRO 62 25.879 -23.880 6.766 402 HD2 PRO 62 HD2 PRO 62 25.138 -22.649 4.481 403 HD3 PRO 62 HD3 PRO 62 24.338 -22.337 6.034 404 H ASN 63 H ASN 63 28.131 -22.110 4.667 405 HA ASN 63 HA ASN 63 30.546 -20.490 4.640 406 HB2 ASN 63 HB2 ASN 63 31.469 -22.275 3.239 407 HB3 ASN 63 HB3 ASN 63 30.746 -22.933 4.702 408 HD21 ASN 63 HD21 ASN 63 30.572 -22.736 1.267 409 HD22 ASN 63 HD22 ASN 63 29.332 -23.921 1.057 410 H LEU 64 H LEU 64 27.705 -20.056 3.281 411 HA LEU 64 HA LEU 64 26.858 -19.039 1.439 412 HB2 LEU 64 HB2 LEU 64 29.689 -18.058 1.083 413 HB3 LEU 64 HB3 LEU 64 28.271 -17.390 0.300 414 HG LEU 64 HG LEU 64 28.786 -17.374 3.268 415 HD11 LEU 64 HD11 LEU 64 30.326 -15.910 2.078 416 HD12 LEU 64 HD12 LEU 64 29.138 -14.965 2.974 417 HD13 LEU 64 HD13 LEU 64 28.976 -15.159 1.230 418 HD21 LEU 64 HD21 LEU 64 26.607 -16.098 1.613 419 HD22 LEU 64 HD22 LEU 64 26.877 -15.813 3.331 420 HD23 LEU 64 HD23 LEU 64 26.412 -17.417 2.768 421 HA PRO 65 HA PRO 65 28.461 -22.182 -1.523 422 HB2 PRO 65 HB2 PRO 65 25.936 -23.541 -1.442 423 HB3 PRO 65 HB3 PRO 65 27.490 -24.117 -0.836 424 HG2 PRO 65 HG2 PRO 65 25.315 -23.475 0.756 425 HG3 PRO 65 HG3 PRO 65 26.995 -23.537 1.313 426 HD2 PRO 65 HD2 PRO 65 25.339 -21.172 0.540 427 HD3 PRO 65 HD3 PRO 65 26.537 -21.336 1.842 428 H SER 66 H SER 66 28.395 -20.722 -3.200 429 HA SER 66 HA SER 66 26.059 -20.848 -4.871 430 HB2 SER 66 HB2 SER 66 27.081 -18.190 -3.829 431 HB3 SER 66 HB3 SER 66 25.932 -18.368 -5.154 432 HG SER 66 HG SER 66 25.177 -19.785 -2.957 433 H ARG 67 H ARG 67 26.524 -20.050 -7.050 434 HA ARG 67 HA ARG 67 29.266 -20.660 -7.723 435 HB2 ARG 67 HB2 ARG 67 28.456 -20.502 -10.077 436 HB3 ARG 67 HB3 ARG 67 27.615 -21.691 -9.092 437 HG2 ARG 67 HG2 ARG 67 25.677 -20.401 -8.978 438 HG3 ARG 67 HG3 ARG 67 26.519 -18.930 -9.472 439 HD2 ARG 67 HD2 ARG 67 26.070 -21.350 -11.206 440 HD3 ARG 67 HD3 ARG 67 25.113 -19.870 -11.264 441 HE ARG 67 HE ARG 67 27.888 -20.200 -12.136 442 HH11 ARG 67 HH11 ARG 67 25.065 -18.132 -11.798 443 HH12 ARG 67 HH12 ARG 67 25.670 -16.907 -12.856 444 HH21 ARG 67 HH21 ARG 67 28.701 -18.560 -13.537 445 HH22 ARG 67 HH22 ARG 67 27.743 -17.158 -13.859 446 H GLY 68 H GLY 68 27.213 -17.827 -7.640 447 HA2 GLY 68 HA2 GLY 68 28.872 -15.849 -7.360 448 HA3 GLY 68 HA3 GLY 68 29.272 -16.283 -9.019 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 2.771 -0.553 -18.864 2 H2 GLY 1 H2 GLY 1 2.350 1.084 -18.983 3 H3 GLY 1 H3 GLY 1 1.248 -0.108 -19.450 4 HA2 GLY 1 HA2 GLY 1 1.074 -0.895 -17.193 5 HA3 GLY 1 HA3 GLY 1 2.239 0.323 -16.698 6 H SER 2 H SER 2 -1.016 -0.257 -17.803 7 HA SER 2 HA SER 2 -1.746 2.530 -17.728 8 HB2 SER 2 HB2 SER 2 -3.524 0.092 -17.935 9 HB3 SER 2 HB3 SER 2 -3.964 1.756 -18.326 10 HG SER 2 HG SER 2 -1.746 1.080 -19.667 11 H ALA 3 H ALA 3 -1.368 3.220 -15.613 12 HA ALA 3 HA ALA 3 -3.479 2.647 -13.761 13 HB1 ALA 3 HB1 ALA 3 -2.066 1.873 -11.927 14 HB2 ALA 3 HB2 ALA 3 -0.659 1.888 -12.990 15 HB3 ALA 3 HB3 ALA 3 -1.981 0.762 -13.294 16 H LEU 4 H LEU 4 -3.654 4.188 -12.155 17 HA LEU 4 HA LEU 4 -2.363 6.699 -12.669 18 HB2 LEU 4 HB2 LEU 4 -3.803 7.632 -11.028 19 HB3 LEU 4 HB3 LEU 4 -4.747 6.451 -11.904 20 HG LEU 4 HG LEU 4 -3.521 5.945 -9.184 21 HD11 LEU 4 HD11 LEU 4 -5.775 6.259 -8.298 22 HD12 LEU 4 HD12 LEU 4 -6.333 6.743 -9.900 23 HD13 LEU 4 HD13 LEU 4 -5.153 7.733 -9.039 24 HD21 LEU 4 HD21 LEU 4 -5.582 4.432 -10.794 25 HD22 LEU 4 HD22 LEU 4 -5.158 4.087 -9.120 26 HD23 LEU 4 HD23 LEU 4 -3.952 3.892 -10.389 27 H ASP 5 H ASP 5 -1.933 4.107 -10.538 28 HA ASP 5 HA ASP 5 0.284 5.519 -9.207 29 HB2 ASP 5 HB2 ASP 5 -1.778 3.709 -7.966 30 HB3 ASP 5 HB3 ASP 5 -0.188 3.892 -7.239 31 H PHE 6 H PHE 6 2.108 4.274 -8.743 32 HA PHE 6 HA PHE 6 2.230 1.789 -10.275 33 HB2 PHE 6 HB2 PHE 6 4.676 2.105 -10.286 34 HB3 PHE 6 HB3 PHE 6 3.861 3.503 -10.969 35 HD1 PHE 6 HD2 PHE 6 3.530 5.537 -9.423 36 HD2 PHE 6 HD1 PHE 6 6.224 2.351 -8.574 37 HE1 PHE 6 HE2 PHE 6 4.758 6.992 -7.867 38 HE2 PHE 6 HE1 PHE 6 7.454 3.801 -7.018 39 HZ PHE 6 HZ PHE 6 6.723 6.125 -6.661 40 H THR 7 H THR 7 2.529 3.251 -7.172 41 HA THR 7 HA THR 7 2.908 0.618 -5.981 42 HB THR 7 HB THR 7 3.785 2.077 -3.997 43 HG1 THR 7 HG1 THR 7 4.561 4.026 -4.540 44 HG21 THR 7 HG21 THR 7 5.444 1.642 -6.485 45 HG22 THR 7 HG22 THR 7 5.146 0.446 -5.224 46 HG23 THR 7 HG23 THR 7 6.075 1.899 -4.858 47 H SER 8 H SER 8 1.383 -0.003 -4.545 48 HA SER 8 HA SER 8 -1.085 1.173 -4.258 49 HB2 SER 8 HB2 SER 8 0.163 -0.506 -2.095 50 HB3 SER 8 HB3 SER 8 -1.526 -0.450 -2.603 51 HG SER 8 HG SER 8 -1.018 -1.548 -4.440 52 H CYS 9 H CYS 9 1.825 2.059 -2.595 53 HA CYS 9 HA CYS 9 0.311 3.454 -0.525 54 HB2 CYS 9 HB2 CYS 9 3.187 2.662 -0.736 55 HB3 CYS 9 HB3 CYS 9 2.661 3.890 0.410 56 H ALA 10 H ALA 10 1.015 4.248 -3.501 57 HA ALA 10 HA ALA 10 2.467 6.652 -3.338 58 HB1 ALA 10 HB1 ALA 10 1.979 5.485 -5.444 59 HB2 ALA 10 HB2 ALA 10 1.528 7.190 -5.508 60 HB3 ALA 10 HB3 ALA 10 0.286 5.955 -5.300 61 H ARG 11 H ARG 11 -0.812 5.912 -2.523 62 HA ARG 11 HA ARG 11 -1.845 8.546 -2.634 63 HB2 ARG 11 HB2 ARG 11 -3.446 7.400 -0.752 64 HB3 ARG 11 HB3 ARG 11 -3.694 7.282 -2.483 65 HG2 ARG 11 HG2 ARG 11 -1.927 5.236 -1.327 66 HG3 ARG 11 HG3 ARG 11 -3.610 5.181 -0.806 67 HD2 ARG 11 HD2 ARG 11 -2.793 5.351 -3.697 68 HD3 ARG 11 HD3 ARG 11 -3.053 3.823 -2.855 69 HE ARG 11 HE ARG 11 -5.350 5.091 -2.364 70 HH11 ARG 11 HH11 ARG 11 -3.610 4.860 -5.436 71 HH12 ARG 11 HH12 ARG 11 -5.070 4.734 -6.359 72 HH21 ARG 11 HH21 ARG 11 -7.253 4.942 -3.639 73 HH22 ARG 11 HH22 ARG 11 -7.116 4.790 -5.358 74 H MET 12 H MET 12 0.426 7.188 -0.542 75 HA MET 12 HA MET 12 -0.182 8.332 1.919 76 HB2 MET 12 HB2 MET 12 2.104 8.093 2.528 77 HB3 MET 12 HB3 MET 12 1.743 6.752 1.453 78 HG2 MET 12 HG2 MET 12 2.972 7.666 -0.301 79 HG3 MET 12 HG3 MET 12 2.952 9.281 0.404 80 HE1 MET 12 HE1 MET 12 4.454 5.669 0.617 81 HE2 MET 12 HE2 MET 12 3.772 5.873 2.232 82 HE3 MET 12 HE3 MET 12 5.521 5.789 2.018 83 H ASN 13 H ASN 13 0.614 9.962 -1.027 84 HA ASN 13 HA ASN 13 1.249 12.364 0.536 85 HB2 ASN 13 HB2 ASN 13 2.313 13.293 -1.519 86 HB3 ASN 13 HB3 ASN 13 3.124 11.864 -0.899 87 HD21 ASN 13 HD21 ASN 13 3.297 10.099 -2.166 88 HD22 ASN 13 HD22 ASN 13 2.693 10.004 -3.782 89 H ASP 14 H ASP 14 -1.401 11.218 -0.119 90 HA ASP 14 HA ASP 14 -2.527 13.319 -1.850 91 HB2 ASP 14 HB2 ASP 14 -3.076 10.872 -2.342 92 HB3 ASP 14 HB3 ASP 14 -3.852 10.794 -0.776 93 H GLY 15 H GLY 15 -1.511 13.627 0.895 94 HA2 GLY 15 HA2 GLY 15 -2.255 15.051 2.600 95 HA3 GLY 15 HA3 GLY 15 -3.917 14.706 2.132 96 H ALA 16 H ALA 16 -3.654 14.628 4.704 97 HA ALA 16 HA ALA 16 -2.661 12.381 5.971 98 HB1 ALA 16 HB1 ALA 16 -3.488 14.384 7.129 99 HB2 ALA 16 HB2 ALA 16 -4.179 12.902 7.788 100 HB3 ALA 16 HB3 ALA 16 -5.141 13.924 6.720 101 H LEU 17 H LEU 17 -5.690 12.784 4.245 102 HA LEU 17 HA LEU 17 -6.926 10.384 5.119 103 HB2 LEU 17 HB2 LEU 17 -7.874 12.461 3.798 104 HB3 LEU 17 HB3 LEU 17 -7.409 11.526 2.393 105 HG LEU 17 HG LEU 17 -9.808 11.308 2.971 106 HD11 LEU 17 HD11 LEU 17 -8.217 8.768 3.231 107 HD12 LEU 17 HD12 LEU 17 -8.748 9.526 1.729 108 HD13 LEU 17 HD13 LEU 17 -9.936 8.867 2.854 109 HD21 LEU 17 HD21 LEU 17 -8.818 9.877 5.426 110 HD22 LEU 17 HD22 LEU 17 -10.497 10.091 4.932 111 HD23 LEU 17 HD23 LEU 17 -9.528 11.488 5.405 112 H GLY 18 H GLY 18 -4.962 11.225 2.304 113 HA2 GLY 18 HA2 GLY 18 -4.947 8.774 0.960 114 HA3 GLY 18 HA3 GLY 18 -3.669 9.974 0.911 115 H ALA 19 H ALA 19 -2.906 9.940 3.608 116 HA ALA 19 HA ALA 19 -1.059 7.879 3.680 117 HB1 ALA 19 HB1 ALA 19 -0.861 9.933 5.001 118 HB2 ALA 19 HB2 ALA 19 -0.690 8.496 6.011 119 HB3 ALA 19 HB3 ALA 19 -2.201 9.405 6.019 120 H LYS 20 H LYS 20 -4.212 8.100 5.280 121 HA LYS 20 HA LYS 20 -4.029 5.550 6.468 122 HB2 LYS 20 HB2 LYS 20 -6.179 7.544 6.139 123 HB3 LYS 20 HB3 LYS 20 -6.699 5.883 6.382 124 HG2 LYS 20 HG2 LYS 20 -6.593 6.958 8.522 125 HG3 LYS 20 HG3 LYS 20 -5.279 5.789 8.425 126 HD2 LYS 20 HD2 LYS 20 -4.221 7.636 9.332 127 HD3 LYS 20 HD3 LYS 20 -3.885 7.830 7.610 128 HE2 LYS 20 HE2 LYS 20 -4.564 9.955 8.397 129 HE3 LYS 20 HE3 LYS 20 -5.931 9.298 7.501 130 HZ1 LYS 20 HZ1 LYS 20 -6.931 8.627 9.605 131 HZ2 LYS 20 HZ2 LYS 20 -6.647 10.293 9.574 132 HZ3 LYS 20 HZ3 LYS 20 -5.623 9.283 10.451 133 H VAL 21 H VAL 21 -5.479 6.600 3.384 134 HA VAL 21 HA VAL 21 -6.541 4.128 2.647 135 HB VAL 21 HB VAL 21 -5.241 6.124 0.769 136 HG11 VAL 21 HG11 VAL 21 -7.386 4.058 0.328 137 HG12 VAL 21 HG12 VAL 21 -5.725 3.984 -0.262 138 HG13 VAL 21 HG13 VAL 21 -6.824 5.221 -0.871 139 HG21 VAL 21 HG21 VAL 21 -7.467 7.109 0.540 140 HG22 VAL 21 HG22 VAL 21 -6.863 7.254 2.190 141 HG23 VAL 21 HG23 VAL 21 -8.077 6.033 1.795 142 H ALA 22 H ALA 22 -3.383 5.517 2.007 143 HA ALA 22 HA ALA 22 -2.207 3.446 0.601 144 HB1 ALA 22 HB1 ALA 22 -0.875 5.330 2.540 145 HB2 ALA 22 HB2 ALA 22 -1.194 5.649 0.836 146 HB3 ALA 22 HB3 ALA 22 -0.057 4.382 1.300 147 H GLN 23 H GLN 23 -2.101 3.983 4.126 148 HA GLN 23 HA GLN 23 -0.550 1.690 4.680 149 HB2 GLN 23 HB2 GLN 23 -1.066 2.003 6.994 150 HB3 GLN 23 HB3 GLN 23 -0.901 3.590 6.265 151 HG2 GLN 23 HG2 GLN 23 -3.326 3.791 6.155 152 HG3 GLN 23 HG3 GLN 23 -3.472 2.193 6.887 153 HE21 GLN 23 HE21 GLN 23 -3.192 1.952 9.040 154 HE22 GLN 23 HE22 GLN 23 -2.993 3.264 10.146 155 H ALA 24 H ALA 24 -4.027 2.197 4.513 156 HA ALA 24 HA ALA 24 -4.823 -0.322 5.472 157 HB1 ALA 24 HB1 ALA 24 -6.967 0.155 4.359 158 HB2 ALA 24 HB2 ALA 24 -6.216 1.509 3.518 159 HB3 ALA 24 HB3 ALA 24 -6.378 1.542 5.274 160 H ALA 25 H ALA 25 -4.336 0.859 2.161 161 HA ALA 25 HA ALA 25 -4.862 -1.553 0.840 162 HB1 ALA 25 HB1 ALA 25 -3.002 0.669 -0.002 163 HB2 ALA 25 HB2 ALA 25 -4.738 0.612 -0.302 164 HB3 ALA 25 HB3 ALA 25 -3.673 -0.575 -1.056 165 H CYS 26 H CYS 26 -1.965 -0.315 2.362 166 HA CYS 26 HA CYS 26 -0.213 -2.287 1.321 167 HB2 CYS 26 HB2 CYS 26 0.496 -0.056 2.212 168 HB3 CYS 26 HB3 CYS 26 0.132 -0.642 3.831 169 H ILE 27 H ILE 27 -1.734 -1.875 4.535 170 HA ILE 27 HA ILE 27 -0.744 -4.182 5.742 171 HB ILE 27 HB ILE 27 -3.443 -2.889 6.203 172 HG12 ILE 27 HG12 ILE 27 -0.831 -2.413 7.660 173 HG13 ILE 27 HG13 ILE 27 -1.484 -1.352 6.423 174 HG21 ILE 27 HG21 ILE 27 -3.323 -5.112 7.174 175 HG22 ILE 27 HG22 ILE 27 -3.302 -3.889 8.444 176 HG23 ILE 27 HG23 ILE 27 -1.809 -4.701 7.976 177 HD11 ILE 27 HD11 ILE 27 -2.789 -1.997 9.055 178 HD12 ILE 27 HD12 ILE 27 -3.422 -0.911 7.815 179 HD13 ILE 27 HD13 ILE 27 -1.923 -0.513 8.654 180 H SER 28 H SER 28 -3.782 -3.742 3.975 181 HA SER 28 HA SER 28 -4.720 -6.366 4.232 182 HB2 SER 28 HB2 SER 28 -6.034 -5.831 2.118 183 HB3 SER 28 HB3 SER 28 -6.257 -4.725 3.474 184 HG SER 28 HG SER 28 -5.129 -3.198 2.450 185 H SER 29 H SER 29 -2.819 -4.912 1.601 186 HA SER 29 HA SER 29 -2.602 -7.191 -0.006 187 HB2 SER 29 HB2 SER 29 -2.019 -4.817 -0.645 188 HB3 SER 29 HB3 SER 29 -0.516 -5.021 0.251 189 HG SER 29 HG SER 29 -0.889 -7.090 -1.445 190 H CYS 30 H CYS 30 -0.686 -6.105 2.746 191 HA CYS 30 HA CYS 30 1.386 -7.983 2.437 192 HB2 CYS 30 HB2 CYS 30 0.391 -6.385 4.776 193 HB3 CYS 30 HB3 CYS 30 1.798 -7.445 4.881 194 H LYS 31 H LYS 31 -1.502 -7.952 4.478 195 HA LYS 31 HA LYS 31 -1.248 -10.416 5.668 196 HB2 LYS 31 HB2 LYS 31 -3.765 -9.083 4.682 197 HB3 LYS 31 HB3 LYS 31 -3.699 -10.381 5.866 198 HG2 LYS 31 HG2 LYS 31 -2.765 -8.994 7.510 199 HG3 LYS 31 HG3 LYS 31 -2.205 -7.838 6.312 200 HD2 LYS 31 HD2 LYS 31 -4.164 -6.789 6.164 201 HD3 LYS 31 HD3 LYS 31 -5.117 -8.260 6.396 202 HE2 LYS 31 HE2 LYS 31 -3.604 -6.820 8.572 203 HE3 LYS 31 HE3 LYS 31 -5.325 -6.615 8.248 204 HZ1 LYS 31 HZ1 LYS 31 -4.013 -9.174 8.994 205 HZ2 LYS 31 HZ2 LYS 31 -5.665 -8.950 8.729 206 HZ3 LYS 31 HZ3 LYS 31 -4.909 -8.196 10.040 207 H PHE 32 H PHE 32 -2.631 -9.666 2.469 208 HA PHE 32 HA PHE 32 -3.470 -12.223 1.790 209 HB2 PHE 32 HB2 PHE 32 -2.559 -9.878 0.151 210 HB3 PHE 32 HB3 PHE 32 -3.079 -11.372 -0.602 211 HD1 PHE 32 HD2 PHE 32 -5.367 -12.190 0.962 212 HD2 PHE 32 HD1 PHE 32 -4.169 -8.284 -0.212 213 HE1 PHE 32 HE2 PHE 32 -7.696 -11.430 1.127 214 HE2 PHE 32 HE1 PHE 32 -6.495 -7.515 -0.048 215 HZ PHE 32 HZ PHE 32 -8.261 -9.087 0.621 216 H GLN 33 H GLN 33 -0.260 -10.790 1.605 217 HA GLN 33 HA GLN 33 0.749 -13.151 0.220 218 HB2 GLN 33 HB2 GLN 33 2.890 -11.885 0.071 219 HB3 GLN 33 HB3 GLN 33 1.532 -11.076 -0.695 220 HG2 GLN 33 HG2 GLN 33 1.299 -9.685 1.336 221 HG3 GLN 33 HG3 GLN 33 2.771 -10.423 1.965 222 HE21 GLN 33 HE21 GLN 33 1.418 -8.289 -0.386 223 HE22 GLN 33 HE22 GLN 33 2.902 -7.562 -0.896 224 H ASN 34 H ASN 34 -0.152 -13.088 3.049 225 HA ASN 34 HA ASN 34 0.309 -14.338 4.890 226 HB2 ASN 34 HB2 ASN 34 1.411 -15.853 3.156 227 HB3 ASN 34 HB3 ASN 34 2.939 -15.128 3.635 228 HD21 ASN 34 HD21 ASN 34 3.736 -17.094 4.358 229 HD22 ASN 34 HD22 ASN 34 3.192 -17.825 5.827 230 H CYS 35 H CYS 35 1.214 -11.558 4.555 231 HA CYS 35 HA CYS 35 3.416 -11.546 6.468 232 HB2 CYS 35 HB2 CYS 35 2.348 -9.401 4.655 233 HB3 CYS 35 HB3 CYS 35 3.486 -9.055 5.952 234 H GLY 36 H GLY 36 3.276 -10.617 8.437 235 HA2 GLY 36 HA2 GLY 36 0.796 -10.717 9.747 236 HA3 GLY 36 HA3 GLY 36 2.267 -10.013 10.404 237 H THR 37 H THR 37 2.664 -7.939 8.628 238 HA THR 37 HA THR 37 0.217 -6.454 8.413 239 HB THR 37 HB THR 37 0.830 -6.142 10.808 240 HG1 THR 37 HG1 THR 37 0.874 -3.726 10.609 241 HG21 THR 37 HG21 THR 37 3.272 -4.765 9.672 242 HG22 THR 37 HG22 THR 37 3.263 -6.253 10.620 243 HG23 THR 37 HG23 THR 37 2.775 -4.730 11.365 244 H GLY 38 H GLY 38 0.958 -4.064 7.958 245 HA2 GLY 38 HA2 GLY 38 3.283 -3.980 6.211 246 HA3 GLY 38 HA3 GLY 38 1.731 -3.817 5.399 247 H HIS 39 H HIS 39 3.882 -1.905 5.535 248 HA HIS 39 HA HIS 39 2.271 0.325 6.410 249 HB2 HIS 39 HB2 HIS 39 3.865 1.346 7.850 250 HB3 HIS 39 HB3 HIS 39 3.718 -0.312 8.401 251 HD1 HIS 39 HD1 HIS 39 5.846 -1.754 8.343 252 HD2 HIS 39 HD2 HIS 39 6.343 2.011 6.644 253 HE1 HIS 39 HE1 HIS 39 8.332 -1.456 8.058 254 HE2 HIS 39 HE2 HIS 39 8.617 0.784 6.951 255 H CYS 40 H CYS 40 2.817 2.250 5.410 256 HA CYS 40 HA CYS 40 4.186 1.824 2.907 257 HB2 CYS 40 HB2 CYS 40 2.768 4.257 3.964 258 HB3 CYS 40 HB3 CYS 40 3.370 4.034 2.326 259 H GLU 41 H GLU 41 6.176 2.370 2.500 260 HA GLU 41 HA GLU 41 7.473 4.266 4.316 261 HB2 GLU 41 HB2 GLU 41 7.958 1.813 4.754 262 HB3 GLU 41 HB3 GLU 41 8.766 1.789 3.198 263 HG2 GLU 41 HG2 GLU 41 10.379 3.396 3.973 264 HG3 GLU 41 HG3 GLU 41 9.514 3.558 5.504 265 H ARG 42 H ARG 42 8.790 5.730 3.310 266 HA ARG 42 HA ARG 42 8.756 5.664 0.404 267 HB2 ARG 42 HB2 ARG 42 8.889 7.777 2.417 268 HB3 ARG 42 HB3 ARG 42 10.000 8.007 1.079 269 HG2 ARG 42 HG2 ARG 42 8.093 7.709 -0.480 270 HG3 ARG 42 HG3 ARG 42 7.022 7.666 0.922 271 HD2 ARG 42 HD2 ARG 42 7.092 9.882 -0.083 272 HD3 ARG 42 HD3 ARG 42 7.749 9.904 1.552 273 HE ARG 42 HE ARG 42 9.910 9.554 -0.105 274 HH11 ARG 42 HH11 ARG 42 7.360 11.941 0.212 275 HH12 ARG 42 HH12 ARG 42 8.340 13.269 -0.296 276 HH21 ARG 42 HH21 ARG 42 11.238 11.335 -0.772 277 HH22 ARG 42 HH22 ARG 42 10.556 12.921 -0.853 278 H ARG 43 H ARG 43 10.361 4.955 -0.671 279 HA ARG 43 HA ARG 43 13.042 5.083 0.535 280 HB2 ARG 43 HB2 ARG 43 11.935 2.847 -1.167 281 HB3 ARG 43 HB3 ARG 43 13.571 2.940 -0.528 282 HG2 ARG 43 HG2 ARG 43 12.566 2.969 1.776 283 HG3 ARG 43 HG3 ARG 43 11.012 2.622 1.012 284 HD2 ARG 43 HD2 ARG 43 11.822 0.559 0.149 285 HD3 ARG 43 HD3 ARG 43 13.466 0.924 0.684 286 HE ARG 43 HE ARG 43 11.867 0.997 2.950 287 HH11 ARG 43 HH11 ARG 43 12.810 -1.404 0.571 288 HH12 ARG 43 HH12 ARG 43 12.647 -2.733 1.666 289 HH21 ARG 43 HH21 ARG 43 11.652 -0.735 4.381 290 HH22 ARG 43 HH22 ARG 43 11.968 -2.360 3.854 291 H GLY 44 H GLY 44 14.313 6.353 -0.583 292 HA2 GLY 44 HA2 GLY 44 15.188 7.621 -2.296 293 HA3 GLY 44 HA3 GLY 44 14.746 6.280 -3.342 294 H GLY 45 H GLY 45 12.691 8.516 -1.464 295 HA2 GLY 45 HA2 GLY 45 11.057 9.974 -2.129 296 HA3 GLY 45 HA3 GLY 45 11.764 9.954 -3.737 297 H ARG 46 H ARG 46 11.218 6.855 -3.052 298 HA ARG 46 HA ARG 46 8.711 6.893 -4.542 299 HB2 ARG 46 HB2 ARG 46 10.630 4.655 -3.992 300 HB3 ARG 46 HB3 ARG 46 9.175 4.515 -4.971 301 HG2 ARG 46 HG2 ARG 46 11.524 6.306 -5.549 302 HG3 ARG 46 HG3 ARG 46 11.191 4.761 -6.344 303 HD2 ARG 46 HD2 ARG 46 9.015 5.715 -7.111 304 HD3 ARG 46 HD3 ARG 46 9.511 7.265 -6.433 305 HE ARG 46 HE ARG 46 11.395 6.144 -8.289 306 HH11 ARG 46 HH11 ARG 46 8.545 8.179 -7.949 307 HH12 ARG 46 HH12 ARG 46 8.781 8.963 -9.472 308 HH21 ARG 46 HH21 ARG 46 11.714 7.228 -10.284 309 HH22 ARG 46 HH22 ARG 46 10.580 8.426 -10.800 310 HA PRO 47 HA PRO 47 6.719 5.767 -0.659 311 HB2 PRO 47 HB2 PRO 47 4.192 6.006 -1.618 312 HB3 PRO 47 HB3 PRO 47 5.158 7.391 -1.096 313 HG2 PRO 47 HG2 PRO 47 4.650 6.380 -3.865 314 HG3 PRO 47 HG3 PRO 47 4.669 8.050 -3.269 315 HD2 PRO 47 HD2 PRO 47 6.750 6.937 -4.587 316 HD3 PRO 47 HD3 PRO 47 6.958 8.181 -3.336 317 H THR 48 H THR 48 6.929 3.641 -0.321 318 HA THR 48 HA THR 48 5.666 1.800 -2.257 319 HB THR 48 HB THR 48 8.151 1.133 -0.678 320 HG1 THR 48 HG1 THR 48 8.185 3.038 -2.302 321 HG21 THR 48 HG21 THR 48 8.477 -0.499 -2.491 322 HG22 THR 48 HG22 THR 48 6.967 0.032 -3.234 323 HG23 THR 48 HG23 THR 48 6.947 -0.751 -1.652 324 H CYS 49 H CYS 49 4.826 -0.175 -1.381 325 HA CYS 49 HA CYS 49 4.081 -0.004 1.410 326 HB2 CYS 49 HB2 CYS 49 2.277 -0.563 -0.048 327 HB3 CYS 49 HB3 CYS 49 3.230 -1.790 -0.869 328 H VAL 50 H VAL 50 5.454 -0.870 2.839 329 HA VAL 50 HA VAL 50 6.867 -3.267 1.984 330 HB VAL 50 HB VAL 50 8.691 -2.728 3.503 331 HG11 VAL 50 HG11 VAL 50 8.795 -1.849 1.226 332 HG12 VAL 50 HG12 VAL 50 9.585 -0.758 2.365 333 HG13 VAL 50 HG13 VAL 50 7.976 -0.375 1.752 334 HG21 VAL 50 HG21 VAL 50 8.784 -0.588 4.675 335 HG22 VAL 50 HG22 VAL 50 7.434 -1.580 5.230 336 HG23 VAL 50 HG23 VAL 50 7.143 -0.226 4.138 337 H CYS 51 H CYS 51 6.506 -5.059 3.065 338 HA CYS 51 HA CYS 51 4.565 -4.964 5.203 339 HB2 CYS 51 HB2 CYS 51 5.746 -7.368 3.825 340 HB3 CYS 51 HB3 CYS 51 4.354 -7.344 4.894 341 H SER 52 H SER 52 4.792 -6.020 7.170 342 HA SER 52 HA SER 52 7.542 -6.644 7.960 343 HB2 SER 52 HB2 SER 52 5.533 -5.058 9.576 344 HB3 SER 52 HB3 SER 52 7.152 -5.515 10.103 345 HG SER 52 HG SER 52 7.545 -4.341 7.834 346 H ARG 53 H ARG 53 7.732 -8.138 9.686 347 HA ARG 53 HA ARG 53 7.267 -10.083 10.770 348 HB2 ARG 53 HB2 ARG 53 4.470 -8.944 10.955 349 HB3 ARG 53 HB3 ARG 53 5.089 -10.285 11.899 350 HG2 ARG 53 HG2 ARG 53 6.155 -7.470 12.012 351 HG3 ARG 53 HG3 ARG 53 4.985 -8.150 13.139 352 HD2 ARG 53 HD2 ARG 53 7.052 -8.353 14.240 353 HD3 ARG 53 HD3 ARG 53 6.737 -9.960 13.596 354 HE ARG 53 HE ARG 53 8.300 -8.361 11.817 355 HH11 ARG 53 HH11 ARG 53 8.506 -10.387 14.672 356 HH12 ARG 53 HH12 ARG 53 10.178 -10.761 14.440 357 HH21 ARG 53 HH21 ARG 53 10.519 -8.859 11.511 358 HH22 ARG 53 HH22 ARG 53 11.319 -9.908 12.628 359 H CYS 54 H CYS 54 7.436 -10.509 8.178 360 HA CYS 54 HA CYS 54 5.036 -11.793 7.189 361 HB2 CYS 54 HB2 CYS 54 7.771 -11.480 5.943 362 HB3 CYS 54 HB3 CYS 54 6.388 -12.216 5.144 363 H GLY 55 H GLY 55 5.944 -13.961 5.749 364 HA2 GLY 55 HA2 GLY 55 6.069 -15.970 7.721 365 HA3 GLY 55 HA3 GLY 55 6.279 -16.197 5.993 366 H ASN 56 H ASN 56 7.859 -15.349 8.943 367 HA ASN 56 HA ASN 56 10.521 -15.573 7.822 368 HB2 ASN 56 HB2 ASN 56 11.326 -14.952 10.010 369 HB3 ASN 56 HB3 ASN 56 9.973 -13.908 9.592 370 HD21 ASN 56 HD21 ASN 56 11.086 -14.603 12.199 371 HD22 ASN 56 HD22 ASN 56 9.784 -15.288 13.113 372 H GLY 57 H GLY 57 8.741 -17.984 7.876 373 HA2 GLY 57 HA2 GLY 57 9.962 -19.716 9.842 374 HA3 GLY 57 HA3 GLY 57 8.765 -20.169 8.635 375 H GLY 58 H GLY 58 9.419 -20.987 6.694 376 HA2 GLY 58 HA2 GLY 58 12.182 -20.773 5.885 377 HA3 GLY 58 HA3 GLY 58 11.684 -22.386 6.382 378 H GLY 59 H GLY 59 9.664 -20.012 4.739 379 HA2 GLY 59 HA2 GLY 59 9.120 -19.945 2.462 380 HA3 GLY 59 HA3 GLY 59 9.907 -21.504 2.244 381 H GLU 60 H GLU 60 8.258 -22.600 1.316 382 HA GLU 60 HA GLU 60 5.667 -22.588 2.676 383 HB2 GLU 60 HB2 GLU 60 5.686 -22.352 0.191 384 HB3 GLU 60 HB3 GLU 60 6.386 -23.961 0.075 385 HG2 GLU 60 HG2 GLU 60 4.426 -24.968 0.984 386 HG3 GLU 60 HG3 GLU 60 3.746 -23.399 1.401 387 H TRP 61 H TRP 61 8.370 -24.641 1.898 388 HA TRP 61 HA TRP 61 7.521 -26.564 3.921 389 HB2 TRP 61 HB2 TRP 61 8.253 -27.307 1.093 390 HB3 TRP 61 HB3 TRP 61 8.108 -28.447 2.418 391 HD1 TRP 61 HD1 TRP 61 6.175 -27.062 -0.350 392 HE1 TRP 61 HE1 TRP 61 3.668 -27.566 -0.083 393 HE3 TRP 61 HE3 TRP 61 6.169 -28.545 4.538 394 HZ2 TRP 61 HZ2 TRP 61 1.920 -28.474 1.936 395 HZ3 TRP 61 HZ3 TRP 61 4.036 -29.217 5.561 396 HH2 TRP 61 HH2 TRP 61 1.958 -29.180 4.285 397 HA PRO 62 HA PRO 62 11.789 -26.050 5.098 398 HB2 PRO 62 HB2 PRO 62 11.408 -28.836 6.085 399 HB3 PRO 62 HB3 PRO 62 12.043 -27.420 6.931 400 HG2 PRO 62 HG2 PRO 62 9.581 -28.277 7.421 401 HG3 PRO 62 HG3 PRO 62 9.930 -26.542 7.321 402 HD2 PRO 62 HD2 PRO 62 8.591 -28.322 5.332 403 HD3 PRO 62 HD3 PRO 62 8.258 -26.628 5.746 404 H ASN 63 H ASN 63 10.781 -29.136 3.592 405 HA ASN 63 HA ASN 63 13.264 -29.085 2.034 406 HB2 ASN 63 HB2 ASN 63 13.532 -30.503 4.140 407 HB3 ASN 63 HB3 ASN 63 12.365 -31.609 3.431 408 HD21 ASN 63 HD21 ASN 63 13.005 -32.958 1.791 409 HD22 ASN 63 HD22 ASN 63 14.649 -33.103 1.261 410 H LEU 64 H LEU 64 10.165 -28.943 1.802 411 HA LEU 64 HA LEU 64 8.590 -29.361 0.213 412 HB2 LEU 64 HB2 LEU 64 10.959 -30.243 -1.440 413 HB3 LEU 64 HB3 LEU 64 9.356 -29.922 -2.063 414 HG LEU 64 HG LEU 64 11.067 -27.833 -0.721 415 HD11 LEU 64 HD11 LEU 64 11.552 -27.014 -2.970 416 HD12 LEU 64 HD12 LEU 64 10.686 -28.386 -3.663 417 HD13 LEU 64 HD13 LEU 64 12.169 -28.650 -2.743 418 HD21 LEU 64 HD21 LEU 64 8.632 -27.592 -2.488 419 HD22 LEU 64 HD22 LEU 64 9.512 -26.266 -1.728 420 HD23 LEU 64 HD23 LEU 64 8.632 -27.424 -0.736 421 HA PRO 65 HA PRO 65 8.301 -33.862 0.926 422 HB2 PRO 65 HB2 PRO 65 6.117 -33.895 2.453 423 HB3 PRO 65 HB3 PRO 65 7.684 -33.442 3.133 424 HG2 PRO 65 HG2 PRO 65 5.402 -31.701 2.312 425 HG3 PRO 65 HG3 PRO 65 6.491 -31.542 3.699 426 HD2 PRO 65 HD2 PRO 65 6.725 -30.146 1.292 427 HD3 PRO 65 HD3 PRO 65 8.012 -30.353 2.490 428 H SER 66 H SER 66 6.575 -31.547 -0.723 429 HA SER 66 HA SER 66 4.305 -33.119 -1.466 430 HB2 SER 66 HB2 SER 66 4.172 -30.663 -1.345 431 HB3 SER 66 HB3 SER 66 5.414 -30.529 -2.588 432 HG SER 66 HG SER 66 2.811 -31.627 -2.853 433 H ARG 67 H ARG 67 4.012 -34.246 -3.375 434 HA ARG 67 HA ARG 67 6.422 -34.957 -4.806 435 HB2 ARG 67 HB2 ARG 67 3.613 -35.949 -5.258 436 HB3 ARG 67 HB3 ARG 67 5.107 -36.704 -5.792 437 HG2 ARG 67 HG2 ARG 67 4.285 -36.346 -2.923 438 HG3 ARG 67 HG3 ARG 67 4.071 -37.827 -3.857 439 HD2 ARG 67 HD2 ARG 67 6.046 -38.045 -2.498 440 HD3 ARG 67 HD3 ARG 67 6.537 -37.907 -4.185 441 HE ARG 67 HE ARG 67 6.550 -35.363 -2.973 442 HH11 ARG 67 HH11 ARG 67 8.358 -38.366 -2.919 443 HH12 ARG 67 HH12 ARG 67 9.853 -37.602 -2.505 444 HH21 ARG 67 HH21 ARG 67 8.531 -34.349 -2.454 445 HH22 ARG 67 HH22 ARG 67 9.951 -35.313 -2.237 446 H GLY 68 H GLY 68 3.820 -32.796 -5.191 447 HA2 GLY 68 HA2 GLY 68 4.492 -31.226 -7.107 448 HA3 GLY 68 HA3 GLY 68 4.259 -32.675 -8.080 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 0.548 1.871 -21.160 2 H2 GLY 1 H2 GLY 1 -0.962 2.524 -21.554 3 H3 GLY 1 H3 GLY 1 -0.788 1.574 -20.167 4 HA2 GLY 1 HA2 GLY 1 0.656 3.225 -19.178 5 HA3 GLY 1 HA3 GLY 1 0.489 4.204 -20.627 6 H SER 2 H SER 2 -1.687 2.485 -18.366 7 HA SER 2 HA SER 2 -3.258 4.966 -18.204 8 HB2 SER 2 HB2 SER 2 -4.360 2.148 -18.088 9 HB3 SER 2 HB3 SER 2 -5.290 3.645 -18.061 10 HG SER 2 HG SER 2 -4.546 4.072 -20.173 11 H ALA 3 H ALA 3 -1.083 3.814 -16.597 12 HA ALA 3 HA ALA 3 -2.459 3.311 -14.060 13 HB1 ALA 3 HB1 ALA 3 0.441 2.953 -14.782 14 HB2 ALA 3 HB2 ALA 3 -0.776 1.678 -14.749 15 HB3 ALA 3 HB3 ALA 3 -0.314 2.496 -13.252 16 H LEU 4 H LEU 4 -2.908 5.140 -13.064 17 HA LEU 4 HA LEU 4 -1.183 7.437 -13.247 18 HB2 LEU 4 HB2 LEU 4 -2.802 8.616 -11.937 19 HB3 LEU 4 HB3 LEU 4 -3.655 7.656 -13.121 20 HG LEU 4 HG LEU 4 -3.358 6.815 -10.233 21 HD11 LEU 4 HD11 LEU 4 -4.522 8.950 -10.335 22 HD12 LEU 4 HD12 LEU 4 -5.626 7.648 -9.902 23 HD13 LEU 4 HD13 LEU 4 -5.628 8.299 -11.542 24 HD21 LEU 4 HD21 LEU 4 -5.397 5.467 -10.813 25 HD22 LEU 4 HD22 LEU 4 -3.921 4.957 -11.618 26 HD23 LEU 4 HD23 LEU 4 -5.125 5.898 -12.503 27 H ASP 5 H ASP 5 -1.970 4.994 -10.887 28 HA ASP 5 HA ASP 5 0.158 6.000 -9.134 29 HB2 ASP 5 HB2 ASP 5 -0.833 4.675 -7.362 30 HB3 ASP 5 HB3 ASP 5 -2.103 5.638 -8.108 31 H PHE 6 H PHE 6 1.907 4.679 -8.666 32 HA PHE 6 HA PHE 6 2.065 2.259 -10.308 33 HB2 PHE 6 HB2 PHE 6 4.499 2.498 -10.237 34 HB3 PHE 6 HB3 PHE 6 3.753 3.963 -10.851 35 HD1 PHE 6 HD2 PHE 6 3.413 5.886 -9.140 36 HD2 PHE 6 HD1 PHE 6 6.045 2.599 -8.535 37 HE1 PHE 6 HE2 PHE 6 4.656 7.192 -7.467 38 HE2 PHE 6 HE1 PHE 6 7.290 3.899 -6.862 39 HZ PHE 6 HZ PHE 6 6.597 6.194 -6.328 40 H THR 7 H THR 7 2.277 3.491 -7.096 41 HA THR 7 HA THR 7 2.647 0.758 -6.102 42 HB THR 7 HB THR 7 3.605 1.957 -4.014 43 HG1 THR 7 HG1 THR 7 4.597 3.932 -4.478 44 HG21 THR 7 HG21 THR 7 4.924 0.493 -5.474 45 HG22 THR 7 HG22 THR 7 5.874 1.886 -4.953 46 HG23 THR 7 HG23 THR 7 5.196 1.838 -6.581 47 H SER 8 H SER 8 1.383 0.135 -4.375 48 HA SER 8 HA SER 8 -1.163 1.227 -4.102 49 HB2 SER 8 HB2 SER 8 0.291 -0.509 -2.094 50 HB3 SER 8 HB3 SER 8 -1.454 -0.309 -2.231 51 HG SER 8 HG SER 8 -1.241 -1.168 -4.392 52 H CYS 9 H CYS 9 1.779 2.031 -2.419 53 HA CYS 9 HA CYS 9 0.314 3.534 -0.407 54 HB2 CYS 9 HB2 CYS 9 3.165 2.679 -0.650 55 HB3 CYS 9 HB3 CYS 9 2.694 3.955 0.469 56 H ALA 10 H ALA 10 1.018 4.245 -3.403 57 HA ALA 10 HA ALA 10 2.478 6.631 -3.337 58 HB1 ALA 10 HB1 ALA 10 1.434 7.149 -5.472 59 HB2 ALA 10 HB2 ALA 10 0.187 5.935 -5.173 60 HB3 ALA 10 HB3 ALA 10 1.864 5.437 -5.399 61 H ARG 11 H ARG 11 -0.803 5.943 -2.428 62 HA ARG 11 HA ARG 11 -1.821 8.557 -2.488 63 HB2 ARG 11 HB2 ARG 11 -3.133 7.228 -0.372 64 HB3 ARG 11 HB3 ARG 11 -3.711 7.494 -2.005 65 HG2 ARG 11 HG2 ARG 11 -1.977 5.152 -1.309 66 HG3 ARG 11 HG3 ARG 11 -3.726 5.120 -1.082 67 HD2 ARG 11 HD2 ARG 11 -2.264 5.615 -3.676 68 HD3 ARG 11 HD3 ARG 11 -3.113 4.139 -3.224 69 HE ARG 11 HE ARG 11 -4.953 6.206 -3.018 70 HH11 ARG 11 HH11 ARG 11 -3.082 4.688 -5.579 71 HH12 ARG 11 HH12 ARG 11 -4.223 5.104 -6.810 72 HH21 ARG 11 HH21 ARG 11 -6.448 6.727 -4.652 73 HH22 ARG 11 HH22 ARG 11 -6.130 6.258 -6.291 74 H MET 12 H MET 12 0.552 7.237 -0.401 75 HA MET 12 HA MET 12 0.008 8.491 1.995 76 HB2 MET 12 HB2 MET 12 2.311 8.260 2.556 77 HB3 MET 12 HB3 MET 12 1.898 6.877 1.554 78 HG2 MET 12 HG2 MET 12 3.086 7.689 -0.272 79 HG3 MET 12 HG3 MET 12 3.123 9.332 0.361 80 HE1 MET 12 HE1 MET 12 5.666 5.848 2.011 81 HE2 MET 12 HE2 MET 12 4.510 5.716 0.679 82 HE3 MET 12 HE3 MET 12 3.936 5.993 2.324 83 H ASN 13 H ASN 13 0.761 10.025 -1.042 84 HA ASN 13 HA ASN 13 1.485 12.467 0.415 85 HB2 ASN 13 HB2 ASN 13 2.514 13.290 -1.686 86 HB3 ASN 13 HB3 ASN 13 3.288 11.826 -1.107 87 HD21 ASN 13 HD21 ASN 13 3.286 10.036 -2.369 88 HD22 ASN 13 HD22 ASN 13 2.601 9.978 -3.954 89 H ASP 14 H ASP 14 -1.160 11.345 -0.013 90 HA ASP 14 HA ASP 14 -2.336 13.367 -1.808 91 HB2 ASP 14 HB2 ASP 14 -2.728 10.863 -2.312 92 HB3 ASP 14 HB3 ASP 14 -3.692 10.835 -0.849 93 H GLY 15 H GLY 15 -1.476 13.353 1.132 94 HA2 GLY 15 HA2 GLY 15 -2.350 14.816 2.776 95 HA3 GLY 15 HA3 GLY 15 -3.962 14.497 2.156 96 H ALA 16 H ALA 16 -3.903 14.384 4.740 97 HA ALA 16 HA ALA 16 -3.045 12.109 6.056 98 HB1 ALA 16 HB1 ALA 16 -5.517 13.724 6.631 99 HB2 ALA 16 HB2 ALA 16 -3.884 14.109 7.173 100 HB3 ALA 16 HB3 ALA 16 -4.687 12.652 7.757 101 H LEU 17 H LEU 17 -5.931 12.557 4.093 102 HA LEU 17 HA LEU 17 -7.147 10.099 4.933 103 HB2 LEU 17 HB2 LEU 17 -8.135 12.265 3.683 104 HB3 LEU 17 HB3 LEU 17 -7.782 11.276 2.281 105 HG LEU 17 HG LEU 17 -10.137 11.105 3.025 106 HD11 LEU 17 HD11 LEU 17 -9.136 9.270 1.779 107 HD12 LEU 17 HD12 LEU 17 -10.299 8.674 2.964 108 HD13 LEU 17 HD13 LEU 17 -8.570 8.548 3.286 109 HD21 LEU 17 HD21 LEU 17 -8.997 9.738 5.458 110 HD22 LEU 17 HD22 LEU 17 -10.704 9.961 5.071 111 HD23 LEU 17 HD23 LEU 17 -9.689 11.359 5.434 112 H GLY 18 H GLY 18 -5.114 11.182 2.289 113 HA2 GLY 18 HA2 GLY 18 -5.033 8.832 0.767 114 HA3 GLY 18 HA3 GLY 18 -3.758 10.039 0.854 115 H ALA 19 H ALA 19 -3.153 9.853 3.574 116 HA ALA 19 HA ALA 19 -1.319 7.730 3.635 117 HB1 ALA 19 HB1 ALA 19 -2.455 9.298 5.951 118 HB2 ALA 19 HB2 ALA 19 -1.052 9.758 4.985 119 HB3 ALA 19 HB3 ALA 19 -0.994 8.311 5.990 120 H LYS 20 H LYS 20 -4.536 8.110 4.899 121 HA LYS 20 HA LYS 20 -4.695 5.690 6.324 122 HB2 LYS 20 HB2 LYS 20 -6.292 7.865 6.076 123 HB3 LYS 20 HB3 LYS 20 -7.159 6.725 5.062 124 HG2 LYS 20 HG2 LYS 20 -8.055 6.646 7.273 125 HG3 LYS 20 HG3 LYS 20 -7.199 5.135 6.947 126 HD2 LYS 20 HD2 LYS 20 -6.678 5.965 9.190 127 HD3 LYS 20 HD3 LYS 20 -5.250 5.979 8.153 128 HE2 LYS 20 HE2 LYS 20 -5.379 8.314 7.835 129 HE3 LYS 20 HE3 LYS 20 -6.981 8.400 8.567 130 HZ1 LYS 20 HZ1 LYS 20 -4.504 7.615 9.998 131 HZ2 LYS 20 HZ2 LYS 20 -6.026 7.821 10.688 132 HZ3 LYS 20 HZ3 LYS 20 -5.198 9.150 10.062 133 H VAL 21 H VAL 21 -5.647 6.587 3.028 134 HA VAL 21 HA VAL 21 -6.638 4.067 2.277 135 HB VAL 21 HB VAL 21 -5.318 6.119 0.473 136 HG11 VAL 21 HG11 VAL 21 -5.591 3.954 -0.591 137 HG12 VAL 21 HG12 VAL 21 -6.724 5.118 -1.279 138 HG13 VAL 21 HG13 VAL 21 -7.288 3.914 -0.121 139 HG21 VAL 21 HG21 VAL 21 -7.575 6.989 0.095 140 HG22 VAL 21 HG22 VAL 21 -7.113 7.130 1.791 141 HG23 VAL 21 HG23 VAL 21 -8.218 5.852 1.282 142 H ALA 22 H ALA 22 -3.454 5.539 1.946 143 HA ALA 22 HA ALA 22 -2.160 3.489 0.594 144 HB1 ALA 22 HB1 ALA 22 -1.207 5.713 0.889 145 HB2 ALA 22 HB2 ALA 22 -0.084 4.470 1.441 146 HB3 ALA 22 HB3 ALA 22 -1.007 5.407 2.614 147 H GLN 23 H GLN 23 -2.285 4.061 4.122 148 HA GLN 23 HA GLN 23 -0.775 1.774 4.773 149 HB2 GLN 23 HB2 GLN 23 -1.296 2.173 7.036 150 HB3 GLN 23 HB3 GLN 23 -1.284 3.758 6.283 151 HG2 GLN 23 HG2 GLN 23 -3.700 3.778 6.215 152 HG3 GLN 23 HG3 GLN 23 -3.737 2.149 6.894 153 HE21 GLN 23 HE21 GLN 23 -3.281 1.843 9.049 154 HE22 GLN 23 HE22 GLN 23 -3.224 3.143 10.186 155 H ALA 24 H ALA 24 -4.244 2.266 4.417 156 HA ALA 24 HA ALA 24 -5.079 -0.242 5.392 157 HB1 ALA 24 HB1 ALA 24 -7.172 0.191 4.193 158 HB2 ALA 24 HB2 ALA 24 -6.400 1.513 3.319 159 HB3 ALA 24 HB3 ALA 24 -6.627 1.624 5.065 160 H ALA 25 H ALA 25 -4.382 0.886 2.121 161 HA ALA 25 HA ALA 25 -4.891 -1.565 0.820 162 HB1 ALA 25 HB1 ALA 25 -3.684 -0.603 -1.068 163 HB2 ALA 25 HB2 ALA 25 -3.062 0.680 -0.031 164 HB3 ALA 25 HB3 ALA 25 -4.790 0.579 -0.367 165 H CYS 26 H CYS 26 -2.082 -0.250 2.449 166 HA CYS 26 HA CYS 26 -0.225 -2.134 1.411 167 HB2 CYS 26 HB2 CYS 26 0.374 0.121 2.312 168 HB3 CYS 26 HB3 CYS 26 0.004 -0.476 3.926 169 H ILE 27 H ILE 27 -1.789 -1.794 4.605 170 HA ILE 27 HA ILE 27 -0.704 -4.068 5.807 171 HB ILE 27 HB ILE 27 -3.457 -2.903 6.308 172 HG12 ILE 27 HG12 ILE 27 -0.872 -2.285 7.752 173 HG13 ILE 27 HG13 ILE 27 -1.533 -1.277 6.480 174 HG21 ILE 27 HG21 ILE 27 -3.191 -5.104 7.287 175 HG22 ILE 27 HG22 ILE 27 -3.195 -3.881 8.555 176 HG23 ILE 27 HG23 ILE 27 -1.677 -4.617 8.043 177 HD11 ILE 27 HD11 ILE 27 -3.526 -0.884 7.834 178 HD12 ILE 27 HD12 ILE 27 -2.056 -0.392 8.673 179 HD13 ILE 27 HD13 ILE 27 -2.855 -1.903 9.110 180 H SER 28 H SER 28 -3.813 -3.755 4.127 181 HA SER 28 HA SER 28 -4.585 -6.427 4.371 182 HB2 SER 28 HB2 SER 28 -6.033 -5.949 2.349 183 HB3 SER 28 HB3 SER 28 -6.221 -4.848 3.715 184 HG SER 28 HG SER 28 -5.287 -3.266 2.617 185 H SER 29 H SER 29 -2.751 -4.861 1.747 186 HA SER 29 HA SER 29 -2.533 -7.160 0.131 187 HB2 SER 29 HB2 SER 29 -0.688 -4.768 0.297 188 HB3 SER 29 HB3 SER 29 -0.685 -5.968 -0.996 189 HG SER 29 HG SER 29 -2.571 -3.980 -0.382 190 H CYS 30 H CYS 30 -0.659 -6.004 2.855 191 HA CYS 30 HA CYS 30 1.499 -7.794 2.538 192 HB2 CYS 30 HB2 CYS 30 0.437 -6.283 4.914 193 HB3 CYS 30 HB3 CYS 30 1.863 -7.311 5.014 194 H LYS 31 H LYS 31 -1.470 -7.931 4.466 195 HA LYS 31 HA LYS 31 -1.071 -10.419 5.634 196 HB2 LYS 31 HB2 LYS 31 -3.702 -9.274 4.703 197 HB3 LYS 31 HB3 LYS 31 -3.448 -10.415 6.019 198 HG2 LYS 31 HG2 LYS 31 -2.488 -8.779 7.404 199 HG3 LYS 31 HG3 LYS 31 -2.226 -7.680 6.057 200 HD2 LYS 31 HD2 LYS 31 -4.058 -6.709 6.918 201 HD3 LYS 31 HD3 LYS 31 -4.853 -7.880 5.874 202 HE2 LYS 31 HE2 LYS 31 -4.342 -8.172 8.840 203 HE3 LYS 31 HE3 LYS 31 -5.896 -7.886 8.064 204 HZ1 LYS 31 HZ1 LYS 31 -4.225 -10.326 7.759 205 HZ2 LYS 31 HZ2 LYS 31 -5.708 -10.047 6.989 206 HZ3 LYS 31 HZ3 LYS 31 -5.641 -10.194 8.669 207 H PHE 32 H PHE 32 -2.425 -9.505 2.514 208 HA PHE 32 HA PHE 32 -3.318 -11.939 1.594 209 HB2 PHE 32 HB2 PHE 32 -3.293 -9.454 0.635 210 HB3 PHE 32 HB3 PHE 32 -1.940 -10.095 -0.282 211 HD1 PHE 32 HD1 PHE 32 -5.505 -10.316 0.345 212 HD2 PHE 32 HD2 PHE 32 -2.267 -11.711 -2.011 213 HE1 PHE 32 HE1 PHE 32 -7.109 -11.293 -1.265 214 HE2 PHE 32 HE2 PHE 32 -3.847 -12.694 -3.630 215 HZ PHE 32 HZ PHE 32 -6.272 -12.484 -3.254 216 H GLN 33 H GLN 33 -0.053 -10.594 1.589 217 HA GLN 33 HA GLN 33 0.947 -12.939 0.167 218 HB2 GLN 33 HB2 GLN 33 3.099 -11.718 0.098 219 HB3 GLN 33 HB3 GLN 33 1.775 -10.837 -0.649 220 HG2 GLN 33 HG2 GLN 33 1.564 -9.481 1.374 221 HG3 GLN 33 HG3 GLN 33 2.926 -10.346 2.086 222 HE21 GLN 33 HE21 GLN 33 1.924 -8.027 -0.265 223 HE22 GLN 33 HE22 GLN 33 3.494 -7.412 -0.643 224 H ASN 34 H ASN 34 0.027 -12.718 3.064 225 HA ASN 34 HA ASN 34 0.413 -13.899 4.954 226 HB2 ASN 34 HB2 ASN 34 1.270 -15.668 3.389 227 HB3 ASN 34 HB3 ASN 34 2.892 -15.030 3.637 228 HD21 ASN 34 HD21 ASN 34 3.635 -16.927 4.559 229 HD22 ASN 34 HD22 ASN 34 3.169 -17.434 6.145 230 H CYS 35 H CYS 35 1.088 -11.366 4.957 231 HA CYS 35 HA CYS 35 3.477 -11.320 6.652 232 HB2 CYS 35 HB2 CYS 35 2.410 -9.156 4.853 233 HB3 CYS 35 HB3 CYS 35 3.704 -8.899 6.015 234 H GLY 36 H GLY 36 3.322 -10.507 8.613 235 HA2 GLY 36 HA2 GLY 36 0.815 -10.445 9.883 236 HA3 GLY 36 HA3 GLY 36 2.327 -9.922 10.600 237 H THR 37 H THR 37 2.873 -7.818 8.859 238 HA THR 37 HA THR 37 0.548 -6.068 8.931 239 HB THR 37 HB THR 37 1.412 -5.845 11.206 240 HG1 THR 37 HG1 THR 37 0.775 -3.862 10.937 241 HG21 THR 37 HG21 THR 37 3.746 -6.446 10.789 242 HG22 THR 37 HG22 THR 37 3.632 -4.903 11.637 243 HG23 THR 37 HG23 THR 37 3.978 -4.936 9.908 244 H GLY 38 H GLY 38 1.018 -3.919 8.082 245 HA2 GLY 38 HA2 GLY 38 3.326 -3.796 6.316 246 HA3 GLY 38 HA3 GLY 38 1.728 -3.734 5.570 247 H HIS 39 H HIS 39 3.910 -1.726 5.733 248 HA HIS 39 HA HIS 39 2.152 0.463 6.396 249 HB2 HIS 39 HB2 HIS 39 3.631 1.618 7.889 250 HB3 HIS 39 HB3 HIS 39 3.416 -0.002 8.528 251 HD1 HIS 39 HD1 HIS 39 5.499 -1.481 8.693 252 HD2 HIS 39 HD2 HIS 39 6.201 2.197 6.897 253 HE1 HIS 39 HE1 HIS 39 8.004 -1.251 8.587 254 HE2 HIS 39 HE2 HIS 39 8.376 1.103 7.774 255 H CYS 40 H CYS 40 2.804 2.427 5.445 256 HA CYS 40 HA CYS 40 4.210 1.914 2.996 257 HB2 CYS 40 HB2 CYS 40 2.883 4.414 4.012 258 HB3 CYS 40 HB3 CYS 40 3.459 4.129 2.372 259 H GLU 41 H GLU 41 6.212 2.420 2.562 260 HA GLU 41 HA GLU 41 7.566 4.375 4.270 261 HB2 GLU 41 HB2 GLU 41 7.999 1.715 4.543 262 HB3 GLU 41 HB3 GLU 41 9.184 2.074 3.307 263 HG2 GLU 41 HG2 GLU 41 8.985 3.306 6.052 264 HG3 GLU 41 HG3 GLU 41 10.193 2.160 5.480 265 H ARG 42 H ARG 42 8.942 5.688 3.179 266 HA ARG 42 HA ARG 42 8.758 5.581 0.288 267 HB2 ARG 42 HB2 ARG 42 9.277 7.645 2.293 268 HB3 ARG 42 HB3 ARG 42 10.286 7.768 0.860 269 HG2 ARG 42 HG2 ARG 42 8.218 7.704 -0.519 270 HG3 ARG 42 HG3 ARG 42 7.286 7.782 0.979 271 HD2 ARG 42 HD2 ARG 42 7.644 9.987 -0.139 272 HD3 ARG 42 HD3 ARG 42 8.212 9.905 1.528 273 HE ARG 42 HE ARG 42 10.365 9.232 -0.079 274 HH11 ARG 42 HH11 ARG 42 8.297 12.031 0.374 275 HH12 ARG 42 HH12 ARG 42 9.555 13.172 0.041 276 HH21 ARG 42 HH21 ARG 42 12.041 10.764 -0.515 277 HH22 ARG 42 HH22 ARG 42 11.671 12.455 -0.465 278 H ARG 43 H ARG 43 10.196 4.523 -0.809 279 HA ARG 43 HA ARG 43 12.900 4.236 0.275 280 HB2 ARG 43 HB2 ARG 43 11.447 2.646 -1.852 281 HB3 ARG 43 HB3 ARG 43 13.081 2.335 -1.292 282 HG2 ARG 43 HG2 ARG 43 10.697 2.243 0.549 283 HG3 ARG 43 HG3 ARG 43 11.252 0.840 -0.365 284 HD2 ARG 43 HD2 ARG 43 12.213 0.680 1.793 285 HD3 ARG 43 HD3 ARG 43 13.505 1.181 0.706 286 HE ARG 43 HE ARG 43 12.062 3.167 2.333 287 HH11 ARG 43 HH11 ARG 43 15.053 1.583 1.420 288 HH12 ARG 43 HH12 ARG 43 16.047 2.632 2.369 289 HH21 ARG 43 HH21 ARG 43 13.353 4.556 3.568 290 HH22 ARG 43 HH22 ARG 43 15.077 4.356 3.588 291 H GLY 44 H GLY 44 14.078 5.903 -0.469 292 HA2 GLY 44 HA2 GLY 44 15.138 7.308 -1.944 293 HA3 GLY 44 HA3 GLY 44 14.859 6.064 -3.154 294 H GLY 45 H GLY 45 12.759 8.321 -1.337 295 HA2 GLY 45 HA2 GLY 45 11.300 9.918 -2.108 296 HA3 GLY 45 HA3 GLY 45 11.979 9.704 -3.708 297 H ARG 46 H ARG 46 11.318 6.752 -3.308 298 HA ARG 46 HA ARG 46 8.704 6.996 -4.564 299 HB2 ARG 46 HB2 ARG 46 10.548 4.642 -4.314 300 HB3 ARG 46 HB3 ARG 46 9.043 4.656 -5.228 301 HG2 ARG 46 HG2 ARG 46 11.418 6.422 -5.751 302 HG3 ARG 46 HG3 ARG 46 11.012 4.960 -6.663 303 HD2 ARG 46 HD2 ARG 46 8.826 6.030 -7.235 304 HD3 ARG 46 HD3 ARG 46 9.400 7.502 -6.454 305 HE ARG 46 HE ARG 46 11.270 6.655 -8.374 306 HH11 ARG 46 HH11 ARG 46 8.098 8.148 -8.133 307 HH12 ARG 46 HH12 ARG 46 8.204 8.909 -9.684 308 HH21 ARG 46 HH21 ARG 46 11.411 7.681 -10.415 309 HH22 ARG 46 HH22 ARG 46 10.091 8.642 -10.982 310 HA PRO 47 HA PRO 47 6.765 5.724 -0.696 311 HB2 PRO 47 HB2 PRO 47 4.229 5.857 -1.682 312 HB3 PRO 47 HB3 PRO 47 5.123 7.269 -1.107 313 HG2 PRO 47 HG2 PRO 47 4.733 6.292 -3.912 314 HG3 PRO 47 HG3 PRO 47 4.624 7.946 -3.284 315 HD2 PRO 47 HD2 PRO 47 6.802 7.071 -4.569 316 HD3 PRO 47 HD3 PRO 47 6.924 8.198 -3.202 317 H THR 48 H THR 48 6.944 3.594 -0.299 318 HA THR 48 HA THR 48 5.663 1.746 -2.200 319 HB THR 48 HB THR 48 8.201 1.090 -0.689 320 HG1 THR 48 HG1 THR 48 8.355 2.940 -2.250 321 HG21 THR 48 HG21 THR 48 6.900 -0.806 -1.576 322 HG22 THR 48 HG22 THR 48 8.437 -0.632 -2.425 323 HG23 THR 48 HG23 THR 48 6.943 -0.081 -3.182 324 H CYS 49 H CYS 49 4.855 -0.219 -1.268 325 HA CYS 49 HA CYS 49 4.119 0.050 1.523 326 HB2 CYS 49 HB2 CYS 49 2.324 -0.517 0.039 327 HB3 CYS 49 HB3 CYS 49 3.255 -1.824 -0.682 328 H VAL 50 H VAL 50 5.555 -0.745 2.966 329 HA VAL 50 HA VAL 50 7.040 -3.142 2.199 330 HB VAL 50 HB VAL 50 8.750 -2.522 3.824 331 HG11 VAL 50 HG11 VAL 50 8.971 -1.603 1.591 332 HG12 VAL 50 HG12 VAL 50 9.603 -0.482 2.799 333 HG13 VAL 50 HG13 VAL 50 8.025 -0.191 2.066 334 HG21 VAL 50 HG21 VAL 50 7.359 -1.485 5.514 335 HG22 VAL 50 HG22 VAL 50 7.018 -0.136 4.433 336 HG23 VAL 50 HG23 VAL 50 8.657 -0.391 5.036 337 H CYS 51 H CYS 51 6.712 -4.957 3.264 338 HA CYS 51 HA CYS 51 4.773 -4.890 5.440 339 HB2 CYS 51 HB2 CYS 51 5.751 -7.292 3.911 340 HB3 CYS 51 HB3 CYS 51 4.375 -7.207 4.995 341 H SER 52 H SER 52 5.022 -6.067 7.321 342 HA SER 52 HA SER 52 7.765 -6.889 7.959 343 HB2 SER 52 HB2 SER 52 5.845 -5.553 9.880 344 HB3 SER 52 HB3 SER 52 7.537 -5.944 10.166 345 HG SER 52 HG SER 52 7.943 -4.488 8.307 346 H ARG 53 H ARG 53 7.912 -8.566 9.529 347 HA ARG 53 HA ARG 53 7.409 -10.607 10.352 348 HB2 ARG 53 HB2 ARG 53 4.735 -9.293 10.833 349 HB3 ARG 53 HB3 ARG 53 5.211 -10.849 11.498 350 HG2 ARG 53 HG2 ARG 53 6.716 -8.296 12.001 351 HG3 ARG 53 HG3 ARG 53 5.432 -8.897 13.047 352 HD2 ARG 53 HD2 ARG 53 7.585 -9.550 13.949 353 HD3 ARG 53 HD3 ARG 53 6.723 -10.981 13.392 354 HE ARG 53 HE ARG 53 8.622 -9.810 11.526 355 HH11 ARG 53 HH11 ARG 53 8.061 -12.216 14.015 356 HH12 ARG 53 HH12 ARG 53 9.370 -13.229 13.519 357 HH21 ARG 53 HH21 ARG 53 10.375 -11.157 10.857 358 HH22 ARG 53 HH22 ARG 53 10.697 -12.620 11.721 359 H CYS 54 H CYS 54 7.524 -10.822 7.850 360 HA CYS 54 HA CYS 54 5.101 -12.061 6.800 361 HB2 CYS 54 HB2 CYS 54 7.808 -11.684 5.500 362 HB3 CYS 54 HB3 CYS 54 6.367 -12.304 4.700 363 H GLY 55 H GLY 55 5.149 -14.339 5.971 364 HA2 GLY 55 HA2 GLY 55 6.624 -15.914 7.915 365 HA3 GLY 55 HA3 GLY 55 5.281 -16.449 6.913 366 H ASN 56 H ASN 56 8.323 -14.864 6.092 367 HA ASN 56 HA ASN 56 8.783 -16.567 3.896 368 HB2 ASN 56 HB2 ASN 56 9.697 -14.285 4.027 369 HB3 ASN 56 HB3 ASN 56 10.752 -14.784 5.344 370 HD21 ASN 56 HD21 ASN 56 12.588 -15.955 4.899 371 HD22 ASN 56 HD22 ASN 56 13.160 -16.234 3.293 372 H GLY 57 H GLY 57 10.229 -16.520 7.189 373 HA2 GLY 57 HA2 GLY 57 10.712 -18.555 8.258 374 HA3 GLY 57 HA3 GLY 57 10.952 -19.297 6.681 375 H GLY 58 H GLY 58 12.405 -17.618 9.279 376 HA2 GLY 58 HA2 GLY 58 14.975 -17.835 7.895 377 HA3 GLY 58 HA3 GLY 58 14.559 -16.382 8.798 378 H GLY 59 H GLY 59 13.030 -18.315 10.639 379 HA2 GLY 59 HA2 GLY 59 13.422 -19.493 12.548 380 HA3 GLY 59 HA3 GLY 59 15.017 -19.879 11.919 381 H GLU 60 H GLU 60 13.235 -17.056 13.227 382 HA GLU 60 HA GLU 60 15.676 -16.043 14.370 383 HB2 GLU 60 HB2 GLU 60 12.803 -15.124 14.502 384 HB3 GLU 60 HB3 GLU 60 14.067 -14.379 15.463 385 HG2 GLU 60 HG2 GLU 60 13.690 -13.036 13.526 386 HG3 GLU 60 HG3 GLU 60 15.262 -13.812 13.365 387 H TRP 61 H TRP 61 16.368 -16.353 16.427 388 HA TRP 61 HA TRP 61 14.511 -17.588 18.323 389 HB2 TRP 61 HB2 TRP 61 17.321 -18.606 17.823 390 HB3 TRP 61 HB3 TRP 61 16.208 -19.203 19.046 391 HD1 TRP 61 HD1 TRP 61 13.812 -20.234 17.901 392 HE1 TRP 61 HE1 TRP 61 13.630 -21.804 15.850 393 HE3 TRP 61 HE3 TRP 61 18.363 -19.315 15.786 394 HZ2 TRP 61 HZ2 TRP 61 15.228 -22.546 13.644 395 HZ3 TRP 61 HZ3 TRP 61 18.967 -20.493 13.714 396 HH2 TRP 61 HH2 TRP 61 17.433 -22.072 12.668 397 HA PRO 62 HA PRO 62 16.846 -14.252 20.405 398 HB2 PRO 62 HB2 PRO 62 14.290 -13.590 21.645 399 HB3 PRO 62 HB3 PRO 62 15.292 -12.592 20.587 400 HG2 PRO 62 HG2 PRO 62 12.884 -13.582 19.816 401 HG3 PRO 62 HG3 PRO 62 14.213 -13.295 18.681 402 HD2 PRO 62 HD2 PRO 62 13.342 -15.868 19.958 403 HD3 PRO 62 HD3 PRO 62 13.802 -15.546 18.269 404 H ASN 63 H ASN 63 17.830 -15.962 21.578 405 HA ASN 63 HA ASN 63 18.402 -17.115 23.474 406 HB2 ASN 63 HB2 ASN 63 17.673 -14.771 24.437 407 HB3 ASN 63 HB3 ASN 63 16.280 -15.658 25.041 408 HD21 ASN 63 HD21 ASN 63 17.763 -18.104 25.565 409 HD22 ASN 63 HD22 ASN 63 18.760 -17.805 26.945 410 H LEU 64 H LEU 64 16.482 -18.144 21.720 411 HA LEU 64 HA LEU 64 15.117 -19.955 21.461 412 HB2 LEU 64 HB2 LEU 64 15.505 -20.378 24.431 413 HB3 LEU 64 HB3 LEU 64 14.778 -21.529 23.331 414 HG LEU 64 HG LEU 64 17.651 -20.605 23.267 415 HD11 LEU 64 HD11 LEU 64 18.161 -22.884 23.971 416 HD12 LEU 64 HD12 LEU 64 16.437 -23.235 24.094 417 HD13 LEU 64 HD13 LEU 64 17.173 -22.044 25.165 418 HD21 LEU 64 HD21 LEU 64 16.825 -21.119 21.033 419 HD22 LEU 64 HD22 LEU 64 16.218 -22.672 21.601 420 HD23 LEU 64 HD23 LEU 64 17.952 -22.356 21.582 421 HA PRO 65 HA PRO 65 11.489 -17.517 22.506 422 HB2 PRO 65 HB2 PRO 65 10.018 -18.242 20.383 423 HB3 PRO 65 HB3 PRO 65 11.383 -17.129 20.232 424 HG2 PRO 65 HG2 PRO 65 11.258 -20.061 19.637 425 HG3 PRO 65 HG3 PRO 65 12.000 -18.758 18.688 426 HD2 PRO 65 HD2 PRO 65 13.412 -20.413 20.334 427 HD3 PRO 65 HD3 PRO 65 13.908 -18.750 19.965 428 H SER 66 H SER 66 11.925 -20.221 23.710 429 HA SER 66 HA SER 66 9.117 -20.803 24.188 430 HB2 SER 66 HB2 SER 66 11.088 -22.934 23.325 431 HB3 SER 66 HB3 SER 66 9.429 -23.217 23.847 432 HG SER 66 HG SER 66 9.101 -21.509 22.000 433 H ARG 67 H ARG 67 8.717 -21.688 26.190 434 HA ARG 67 HA ARG 67 10.920 -22.572 27.871 435 HB2 ARG 67 HB2 ARG 67 10.125 -21.132 29.717 436 HB3 ARG 67 HB3 ARG 67 10.737 -20.197 28.356 437 HG2 ARG 67 HG2 ARG 67 8.442 -19.812 27.598 438 HG3 ARG 67 HG3 ARG 67 7.839 -20.726 28.982 439 HD2 ARG 67 HD2 ARG 67 9.455 -18.201 29.066 440 HD3 ARG 67 HD3 ARG 67 7.726 -18.344 29.387 441 HE ARG 67 HE ARG 67 9.563 -19.902 31.043 442 HH11 ARG 67 HH11 ARG 67 7.432 -17.133 30.789 443 HH12 ARG 67 HH12 ARG 67 7.308 -16.915 32.499 444 HH21 ARG 67 HH21 ARG 67 9.394 -19.605 33.313 445 HH22 ARG 67 HH22 ARG 67 8.430 -18.311 33.934 446 H GLY 68 H GLY 68 9.957 -23.478 29.979 447 HA2 GLY 68 HA2 GLY 68 8.326 -24.680 31.114 448 HA3 GLY 68 HA3 GLY 68 7.176 -24.264 29.849 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 3.819 5.805 -18.707 2 H2 GLY 1 H2 GLY 1 4.680 4.374 -18.447 3 H3 GLY 1 H3 GLY 1 4.112 5.267 -17.130 4 HA2 GLY 1 HA2 GLY 1 2.453 3.878 -19.146 5 HA3 GLY 1 HA3 GLY 1 2.733 3.334 -17.498 6 H SER 2 H SER 2 0.255 4.119 -18.974 7 HA SER 2 HA SER 2 -0.593 6.561 -17.740 8 HB2 SER 2 HB2 SER 2 -2.818 5.920 -18.792 9 HB3 SER 2 HB3 SER 2 -1.472 6.150 -19.907 10 HG SER 2 HG SER 2 -2.910 3.890 -19.304 11 H ALA 3 H ALA 3 -0.631 6.372 -15.584 12 HA ALA 3 HA ALA 3 -2.806 4.888 -14.420 13 HB1 ALA 3 HB1 ALA 3 -1.423 3.747 -12.745 14 HB2 ALA 3 HB2 ALA 3 0.034 4.346 -13.540 15 HB3 ALA 3 HB3 ALA 3 -1.023 3.208 -14.376 16 H LEU 4 H LEU 4 -3.394 5.738 -12.392 17 HA LEU 4 HA LEU 4 -2.501 8.435 -11.969 18 HB2 LEU 4 HB2 LEU 4 -4.223 8.647 -10.358 19 HB3 LEU 4 HB3 LEU 4 -4.876 7.688 -11.665 20 HG LEU 4 HG LEU 4 -3.802 6.415 -9.159 21 HD11 LEU 4 HD11 LEU 4 -5.523 8.004 -8.487 22 HD12 LEU 4 HD12 LEU 4 -6.119 6.350 -8.339 23 HD13 LEU 4 HD13 LEU 4 -6.624 7.351 -9.701 24 HD21 LEU 4 HD21 LEU 4 -5.398 4.622 -9.829 25 HD22 LEU 4 HD22 LEU 4 -4.102 4.886 -10.990 26 HD23 LEU 4 HD23 LEU 4 -5.717 5.517 -11.316 27 H ASP 5 H ASP 5 -1.864 5.309 -10.542 28 HA ASP 5 HA ASP 5 0.216 6.551 -8.973 29 HB2 ASP 5 HB2 ASP 5 -0.339 5.276 -6.976 30 HB3 ASP 5 HB3 ASP 5 -1.701 6.295 -7.426 31 H PHE 6 H PHE 6 1.950 5.172 -8.595 32 HA PHE 6 HA PHE 6 1.978 2.794 -10.308 33 HB2 PHE 6 HB2 PHE 6 4.426 2.996 -10.293 34 HB3 PHE 6 HB3 PHE 6 3.675 4.493 -10.823 35 HD1 PHE 6 HD2 PHE 6 3.401 6.350 -9.033 36 HD2 PHE 6 HD1 PHE 6 6.008 3.013 -8.604 37 HE1 PHE 6 HE2 PHE 6 4.687 7.575 -7.331 38 HE2 PHE 6 HE1 PHE 6 7.296 4.234 -6.906 39 HZ PHE 6 HZ PHE 6 6.638 6.512 -6.266 40 H THR 7 H THR 7 2.199 3.800 -7.047 41 HA THR 7 HA THR 7 2.758 1.039 -6.228 42 HB THR 7 HB THR 7 3.661 2.194 -4.070 43 HG1 THR 7 HG1 THR 7 4.541 4.216 -4.436 44 HG21 THR 7 HG21 THR 7 5.243 2.192 -6.644 45 HG22 THR 7 HG22 THR 7 5.025 0.817 -5.562 46 HG23 THR 7 HG23 THR 7 5.928 2.231 -5.019 47 H SER 8 H SER 8 1.716 0.311 -4.317 48 HA SER 8 HA SER 8 -0.944 1.122 -4.063 49 HB2 SER 8 HB2 SER 8 -0.715 -0.368 -1.917 50 HB3 SER 8 HB3 SER 8 -0.563 -1.101 -3.517 51 HG SER 8 HG SER 8 1.135 -1.763 -2.188 52 H CYS 9 H CYS 9 1.934 2.171 -2.439 53 HA CYS 9 HA CYS 9 0.340 3.545 -0.415 54 HB2 CYS 9 HB2 CYS 9 3.241 2.840 -0.575 55 HB3 CYS 9 HB3 CYS 9 2.665 4.070 0.546 56 H ALA 10 H ALA 10 1.009 4.317 -3.384 57 HA ALA 10 HA ALA 10 2.422 6.734 -3.298 58 HB1 ALA 10 HB1 ALA 10 1.437 7.219 -5.452 59 HB2 ALA 10 HB2 ALA 10 0.188 6.004 -5.180 60 HB3 ALA 10 HB3 ALA 10 1.871 5.510 -5.368 61 H ARG 11 H ARG 11 -0.895 5.987 -2.486 62 HA ARG 11 HA ARG 11 -1.810 8.641 -2.515 63 HB2 ARG 11 HB2 ARG 11 -3.724 7.800 -1.064 64 HB3 ARG 11 HB3 ARG 11 -3.560 7.127 -2.671 65 HG2 ARG 11 HG2 ARG 11 -2.373 5.661 -0.371 66 HG3 ARG 11 HG3 ARG 11 -4.118 5.626 -0.601 67 HD2 ARG 11 HD2 ARG 11 -1.961 4.620 -2.434 68 HD3 ARG 11 HD3 ARG 11 -3.307 3.739 -1.727 69 HE ARG 11 HE ARG 11 -4.587 5.534 -3.233 70 HH11 ARG 11 HH11 ARG 11 -1.978 3.295 -3.931 71 HH12 ARG 11 HH12 ARG 11 -2.269 3.260 -5.638 72 HH21 ARG 11 HH21 ARG 11 -5.021 5.462 -5.486 73 HH22 ARG 11 HH22 ARG 11 -4.015 4.513 -6.535 74 H MET 12 H MET 12 0.378 7.229 -0.429 75 HA MET 12 HA MET 12 -0.191 8.464 2.027 76 HB2 MET 12 HB2 MET 12 2.117 8.212 2.605 77 HB3 MET 12 HB3 MET 12 1.731 6.841 1.574 78 HG2 MET 12 HG2 MET 12 2.933 7.696 -0.229 79 HG3 MET 12 HG3 MET 12 2.923 9.332 0.417 80 HE1 MET 12 HE1 MET 12 4.408 5.728 0.774 81 HE2 MET 12 HE2 MET 12 3.837 6.024 2.419 82 HE3 MET 12 HE3 MET 12 5.566 5.918 2.094 83 H ASN 13 H ASN 13 0.317 9.932 -0.975 84 HA ASN 13 HA ASN 13 1.338 12.441 0.182 85 HB2 ASN 13 HB2 ASN 13 1.381 11.425 -2.666 86 HB3 ASN 13 HB3 ASN 13 2.003 12.979 -2.129 87 HD21 ASN 13 HD21 ASN 13 3.091 10.364 -3.292 88 HD22 ASN 13 HD22 ASN 13 4.502 10.071 -2.335 89 H ASP 14 H ASP 14 -1.478 11.250 -0.031 90 HA ASP 14 HA ASP 14 -2.667 13.269 -1.817 91 HB2 ASP 14 HB2 ASP 14 -3.012 10.726 -2.237 92 HB3 ASP 14 HB3 ASP 14 -4.082 10.801 -0.849 93 H GLY 15 H GLY 15 -1.874 13.237 1.189 94 HA2 GLY 15 HA2 GLY 15 -2.808 14.799 2.728 95 HA3 GLY 15 HA3 GLY 15 -4.402 14.427 2.088 96 H ALA 16 H ALA 16 -4.301 14.426 4.705 97 HA ALA 16 HA ALA 16 -3.509 12.257 6.159 98 HB1 ALA 16 HB1 ALA 16 -4.533 14.258 7.118 99 HB2 ALA 16 HB2 ALA 16 -5.316 12.793 7.712 100 HB3 ALA 16 HB3 ALA 16 -6.099 13.770 6.471 101 H LEU 17 H LEU 17 -6.361 12.494 4.108 102 HA LEU 17 HA LEU 17 -7.478 9.998 4.939 103 HB2 LEU 17 HB2 LEU 17 -8.477 12.113 3.594 104 HB3 LEU 17 HB3 LEU 17 -8.085 11.081 2.238 105 HG LEU 17 HG LEU 17 -10.413 10.819 2.823 106 HD11 LEU 17 HD11 LEU 17 -9.293 8.835 2.001 107 HD12 LEU 17 HD12 LEU 17 -10.530 8.409 3.186 108 HD13 LEU 17 HD13 LEU 17 -8.827 8.400 3.646 109 HD21 LEU 17 HD21 LEU 17 -9.442 10.016 5.559 110 HD22 LEU 17 HD22 LEU 17 -11.111 9.947 4.993 111 HD23 LEU 17 HD23 LEU 17 -10.296 11.503 5.150 112 H GLY 18 H GLY 18 -5.408 11.101 2.318 113 HA2 GLY 18 HA2 GLY 18 -5.270 8.733 0.794 114 HA3 GLY 18 HA3 GLY 18 -4.051 9.992 0.863 115 H ALA 19 H ALA 19 -3.214 9.913 3.470 116 HA ALA 19 HA ALA 19 -1.406 7.806 3.512 117 HB1 ALA 19 HB1 ALA 19 -1.124 9.914 4.726 118 HB2 ALA 19 HB2 ALA 19 -0.911 8.516 5.779 119 HB3 ALA 19 HB3 ALA 19 -2.413 9.443 5.832 120 H LYS 20 H LYS 20 -4.607 8.106 4.888 121 HA LYS 20 HA LYS 20 -4.475 5.765 6.508 122 HB2 LYS 20 HB2 LYS 20 -6.272 7.877 6.159 123 HB3 LYS 20 HB3 LYS 20 -7.149 6.465 5.599 124 HG2 LYS 20 HG2 LYS 20 -7.606 6.851 7.933 125 HG3 LYS 20 HG3 LYS 20 -6.706 5.348 7.737 126 HD2 LYS 20 HD2 LYS 20 -5.863 6.653 9.632 127 HD3 LYS 20 HD3 LYS 20 -4.638 6.497 8.374 128 HE2 LYS 20 HE2 LYS 20 -5.158 8.738 7.574 129 HE3 LYS 20 HE3 LYS 20 -6.428 8.890 8.784 130 HZ1 LYS 20 HZ1 LYS 20 -4.394 9.993 9.467 131 HZ2 LYS 20 HZ2 LYS 20 -3.540 8.547 9.350 132 HZ3 LYS 20 HZ3 LYS 20 -4.754 8.717 10.511 133 H VAL 21 H VAL 21 -5.665 6.514 3.279 134 HA VAL 21 HA VAL 21 -6.653 3.948 2.654 135 HB VAL 21 HB VAL 21 -5.501 6.026 0.760 136 HG11 VAL 21 HG11 VAL 21 -7.344 3.693 0.244 137 HG12 VAL 21 HG12 VAL 21 -5.663 3.830 -0.271 138 HG13 VAL 21 HG13 VAL 21 -6.882 4.914 -0.943 139 HG21 VAL 21 HG21 VAL 21 -7.827 6.716 0.411 140 HG22 VAL 21 HG22 VAL 21 -7.312 6.957 2.078 141 HG23 VAL 21 HG23 VAL 21 -8.348 5.588 1.664 142 H ALA 22 H ALA 22 -3.527 5.502 2.220 143 HA ALA 22 HA ALA 22 -2.200 3.533 0.772 144 HB1 ALA 22 HB1 ALA 22 -1.353 5.837 1.194 145 HB2 ALA 22 HB2 ALA 22 -0.154 4.581 1.489 146 HB3 ALA 22 HB3 ALA 22 -0.977 5.349 2.845 147 H GLN 23 H GLN 23 -2.160 4.071 4.290 148 HA GLN 23 HA GLN 23 -0.596 1.816 4.856 149 HB2 GLN 23 HB2 GLN 23 -1.048 2.197 7.148 150 HB3 GLN 23 HB3 GLN 23 -1.060 3.777 6.384 151 HG2 GLN 23 HG2 GLN 23 -3.495 3.749 6.359 152 HG3 GLN 23 HG3 GLN 23 -3.459 2.169 7.149 153 HE21 GLN 23 HE21 GLN 23 -2.914 2.028 9.292 154 HE22 GLN 23 HE22 GLN 23 -2.832 3.401 10.333 155 H ALA 24 H ALA 24 -4.102 2.227 4.670 156 HA ALA 24 HA ALA 24 -4.800 -0.327 5.645 157 HB1 ALA 24 HB1 ALA 24 -6.981 0.084 4.640 158 HB2 ALA 24 HB2 ALA 24 -6.314 1.429 3.713 159 HB3 ALA 24 HB3 ALA 24 -6.398 1.526 5.472 160 H ALA 25 H ALA 25 -4.349 0.907 2.359 161 HA ALA 25 HA ALA 25 -4.925 -1.496 1.011 162 HB1 ALA 25 HB1 ALA 25 -3.823 -0.476 -0.911 163 HB2 ALA 25 HB2 ALA 25 -3.132 0.767 0.132 164 HB3 ALA 25 HB3 ALA 25 -4.878 0.687 -0.108 165 H CYS 26 H CYS 26 -1.983 -0.202 2.440 166 HA CYS 26 HA CYS 26 -0.225 -2.114 1.316 167 HB2 CYS 26 HB2 CYS 26 0.502 0.091 2.175 168 HB3 CYS 26 HB3 CYS 26 0.098 -0.430 3.806 169 H ILE 27 H ILE 27 -1.707 -1.771 4.549 170 HA ILE 27 HA ILE 27 -0.641 -4.056 5.723 171 HB ILE 27 HB ILE 27 -3.361 -2.812 6.176 172 HG12 ILE 27 HG12 ILE 27 -0.804 -2.453 7.758 173 HG13 ILE 27 HG13 ILE 27 -1.374 -1.329 6.535 174 HG21 ILE 27 HG21 ILE 27 -3.368 -5.062 7.048 175 HG22 ILE 27 HG22 ILE 27 -3.281 -3.924 8.393 176 HG23 ILE 27 HG23 ILE 27 -1.833 -4.786 7.873 177 HD11 ILE 27 HD11 ILE 27 -2.805 -2.040 9.082 178 HD12 ILE 27 HD12 ILE 27 -3.373 -0.906 7.853 179 HD13 ILE 27 HD13 ILE 27 -1.906 -0.556 8.764 180 H SER 28 H SER 28 -3.690 -3.668 3.934 181 HA SER 28 HA SER 28 -4.552 -6.312 4.124 182 HB2 SER 28 HB2 SER 28 -5.063 -4.414 1.831 183 HB3 SER 28 HB3 SER 28 -6.062 -5.779 2.334 184 HG SER 28 HG SER 28 -5.792 -3.240 3.466 185 H SER 29 H SER 29 -2.615 -4.712 1.589 186 HA SER 29 HA SER 29 -2.354 -6.900 -0.136 187 HB2 SER 29 HB2 SER 29 -1.762 -4.553 -0.724 188 HB3 SER 29 HB3 SER 29 -0.355 -4.667 0.329 189 HG SER 29 HG SER 29 -0.735 -6.562 -1.717 190 H CYS 30 H CYS 30 -0.505 -5.928 2.696 191 HA CYS 30 HA CYS 30 1.551 -7.833 2.415 192 HB2 CYS 30 HB2 CYS 30 0.482 -6.318 4.787 193 HB3 CYS 30 HB3 CYS 30 1.909 -7.345 4.869 194 H LYS 31 H LYS 31 -1.446 -7.804 4.284 195 HA LYS 31 HA LYS 31 -1.211 -10.311 5.438 196 HB2 LYS 31 HB2 LYS 31 -3.670 -8.787 4.595 197 HB3 LYS 31 HB3 LYS 31 -3.690 -10.203 5.644 198 HG2 LYS 31 HG2 LYS 31 -2.674 -9.087 7.397 199 HG3 LYS 31 HG3 LYS 31 -1.967 -7.869 6.341 200 HD2 LYS 31 HD2 LYS 31 -3.761 -6.927 7.677 201 HD3 LYS 31 HD3 LYS 31 -4.172 -6.914 5.959 202 HE2 LYS 31 HE2 LYS 31 -6.032 -7.591 7.426 203 HE3 LYS 31 HE3 LYS 31 -5.596 -8.818 6.236 204 HZ1 LYS 31 HZ1 LYS 31 -4.850 -8.806 9.116 205 HZ2 LYS 31 HZ2 LYS 31 -4.322 -9.952 7.992 206 HZ3 LYS 31 HZ3 LYS 31 -5.962 -9.839 8.368 207 H PHE 32 H PHE 32 -2.562 -9.439 2.240 208 HA PHE 32 HA PHE 32 -3.465 -11.925 1.455 209 HB2 PHE 32 HB2 PHE 32 -2.349 -9.576 -0.024 210 HB3 PHE 32 HB3 PHE 32 -2.699 -11.057 -0.891 211 HD1 PHE 32 HD2 PHE 32 -5.104 -12.002 -0.604 212 HD2 PHE 32 HD1 PHE 32 -3.998 -7.991 0.263 213 HE1 PHE 32 HE2 PHE 32 -7.451 -11.304 -0.843 214 HE2 PHE 32 HE1 PHE 32 -6.337 -7.285 0.024 215 HZ PHE 32 HZ PHE 32 -8.068 -8.942 -0.529 216 H GLN 33 H GLN 33 -0.165 -10.681 1.521 217 HA GLN 33 HA GLN 33 0.803 -13.109 0.206 218 HB2 GLN 33 HB2 GLN 33 2.978 -11.946 0.087 219 HB3 GLN 33 HB3 GLN 33 1.689 -11.030 -0.678 220 HG2 GLN 33 HG2 GLN 33 1.521 -9.705 1.440 221 HG3 GLN 33 HG3 GLN 33 2.986 -10.519 1.979 222 HE21 GLN 33 HE21 GLN 33 1.626 -8.210 -0.196 223 HE22 GLN 33 HE22 GLN 33 3.120 -7.529 -0.735 224 H ASN 34 H ASN 34 -0.153 -12.626 3.105 225 HA ASN 34 HA ASN 34 0.173 -13.658 5.083 226 HB2 ASN 34 HB2 ASN 34 0.839 -15.640 3.701 227 HB3 ASN 34 HB3 ASN 34 2.513 -15.116 3.834 228 HD21 ASN 34 HD21 ASN 34 3.113 -16.992 4.911 229 HD22 ASN 34 HD22 ASN 34 2.680 -17.294 6.555 230 H CYS 35 H CYS 35 1.065 -11.175 4.934 231 HA CYS 35 HA CYS 35 3.495 -11.275 6.551 232 HB2 CYS 35 HB2 CYS 35 2.481 -9.129 4.706 233 HB3 CYS 35 HB3 CYS 35 3.765 -8.846 5.874 234 H GLY 36 H GLY 36 3.422 -10.457 8.523 235 HA2 GLY 36 HA2 GLY 36 0.984 -10.340 9.873 236 HA3 GLY 36 HA3 GLY 36 2.520 -9.796 10.519 237 H THR 37 H THR 37 3.033 -7.655 8.825 238 HA THR 37 HA THR 37 0.703 -5.942 8.885 239 HB THR 37 HB THR 37 1.434 -5.815 11.221 240 HG1 THR 37 HG1 THR 37 0.774 -3.833 11.013 241 HG21 THR 37 HG21 THR 37 4.045 -4.778 10.105 242 HG22 THR 37 HG22 THR 37 3.808 -6.334 10.899 243 HG23 THR 37 HG23 THR 37 3.603 -4.840 11.812 244 H GLY 38 H GLY 38 0.842 -4.242 7.551 245 HA2 GLY 38 HA2 GLY 38 3.405 -3.860 6.153 246 HA3 GLY 38 HA3 GLY 38 1.827 -3.686 5.390 247 H HIS 39 H HIS 39 3.993 -1.779 5.518 248 HA HIS 39 HA HIS 39 2.390 0.429 6.428 249 HB2 HIS 39 HB2 HIS 39 4.050 1.456 7.832 250 HB3 HIS 39 HB3 HIS 39 3.764 -0.167 8.433 251 HD1 HIS 39 HD1 HIS 39 5.764 -1.741 8.526 252 HD2 HIS 39 HD2 HIS 39 6.568 1.851 6.595 253 HE1 HIS 39 HE1 HIS 39 8.252 -1.694 8.204 254 HE2 HIS 39 HE2 HIS 39 8.727 0.605 7.320 255 H CYS 40 H CYS 40 3.015 2.389 5.507 256 HA CYS 40 HA CYS 40 4.290 1.960 2.958 257 HB2 CYS 40 HB2 CYS 40 2.941 4.412 4.083 258 HB3 CYS 40 HB3 CYS 40 3.485 4.183 2.423 259 H GLU 41 H GLU 41 6.291 2.478 2.487 260 HA GLU 41 HA GLU 41 7.631 4.452 4.175 261 HB2 GLU 41 HB2 GLU 41 8.169 2.147 4.982 262 HB3 GLU 41 HB3 GLU 41 8.869 1.804 3.409 263 HG2 GLU 41 HG2 GLU 41 10.501 2.400 5.205 264 HG3 GLU 41 HG3 GLU 41 10.608 3.371 3.736 265 H ARG 42 H ARG 42 9.216 5.654 3.140 266 HA ARG 42 HA ARG 42 9.029 5.565 0.251 267 HB2 ARG 42 HB2 ARG 42 10.224 7.574 2.134 268 HB3 ARG 42 HB3 ARG 42 10.386 7.682 0.389 269 HG2 ARG 42 HG2 ARG 42 7.919 7.654 0.229 270 HG3 ARG 42 HG3 ARG 42 7.856 7.771 1.991 271 HD2 ARG 42 HD2 ARG 42 7.638 9.979 1.180 272 HD3 ARG 42 HD3 ARG 42 9.300 9.840 1.749 273 HE ARG 42 HE ARG 42 9.090 9.211 -1.014 274 HH11 ARG 42 HH11 ARG 42 9.262 11.885 1.247 275 HH12 ARG 42 HH12 ARG 42 9.787 13.032 0.067 276 HH21 ARG 42 HH21 ARG 42 9.788 10.754 -2.608 277 HH22 ARG 42 HH22 ARG 42 10.093 12.388 -2.130 278 H ARG 43 H ARG 43 10.320 4.463 -0.846 279 HA ARG 43 HA ARG 43 13.016 3.891 0.169 280 HB2 ARG 43 HB2 ARG 43 11.357 2.440 -1.905 281 HB3 ARG 43 HB3 ARG 43 12.966 1.971 -1.380 282 HG2 ARG 43 HG2 ARG 43 10.513 2.060 0.371 283 HG3 ARG 43 HG3 ARG 43 11.220 0.605 -0.336 284 HD2 ARG 43 HD2 ARG 43 13.273 0.978 0.905 285 HD3 ARG 43 HD3 ARG 43 12.623 2.476 1.565 286 HE ARG 43 HE ARG 43 10.924 1.064 2.683 287 HH11 ARG 43 HH11 ARG 43 13.967 -0.375 1.690 288 HH12 ARG 43 HH12 ARG 43 13.938 -1.593 2.913 289 HH21 ARG 43 HH21 ARG 43 10.905 -0.564 4.337 290 HH22 ARG 43 HH22 ARG 43 12.205 -1.694 4.411 291 H GLY 44 H GLY 44 14.337 5.405 -0.614 292 HA2 GLY 44 HA2 GLY 44 15.453 6.732 -2.122 293 HA3 GLY 44 HA3 GLY 44 14.941 5.584 -3.355 294 H GLY 45 H GLY 45 13.254 7.930 -1.243 295 HA2 GLY 45 HA2 GLY 45 11.736 9.545 -1.726 296 HA3 GLY 45 HA3 GLY 45 12.414 9.588 -3.342 297 H ARG 46 H ARG 46 11.454 6.495 -2.917 298 HA ARG 46 HA ARG 46 8.946 7.055 -4.327 299 HB2 ARG 46 HB2 ARG 46 10.578 4.523 -4.265 300 HB3 ARG 46 HB3 ARG 46 9.088 4.745 -5.171 301 HG2 ARG 46 HG2 ARG 46 11.583 6.380 -5.583 302 HG3 ARG 46 HG3 ARG 46 11.154 4.959 -6.540 303 HD2 ARG 46 HD2 ARG 46 10.489 6.920 -7.760 304 HD3 ARG 46 HD3 ARG 46 9.036 6.120 -7.176 305 HE ARG 46 HE ARG 46 9.931 8.132 -5.368 306 HH11 ARG 46 HH11 ARG 46 8.283 7.723 -8.427 307 HH12 ARG 46 HH12 ARG 46 7.293 9.131 -8.231 308 HH21 ARG 46 HH21 ARG 46 8.611 9.985 -5.080 309 HH22 ARG 46 HH22 ARG 46 7.468 10.413 -6.301 310 HA PRO 47 HA PRO 47 6.858 5.752 -0.563 311 HB2 PRO 47 HB2 PRO 47 4.349 6.093 -1.596 312 HB3 PRO 47 HB3 PRO 47 5.319 7.402 -0.910 313 HG2 PRO 47 HG2 PRO 47 4.927 6.641 -3.777 314 HG3 PRO 47 HG3 PRO 47 4.941 8.255 -3.041 315 HD2 PRO 47 HD2 PRO 47 7.066 7.290 -4.349 316 HD3 PRO 47 HD3 PRO 47 7.247 8.308 -2.904 317 H THR 48 H THR 48 7.169 3.589 -0.414 318 HA THR 48 HA THR 48 5.679 1.876 -2.289 319 HB THR 48 HB THR 48 8.200 1.060 -0.841 320 HG1 THR 48 HG1 THR 48 8.287 3.017 -2.375 321 HG21 THR 48 HG21 THR 48 6.835 -0.720 -1.848 322 HG22 THR 48 HG22 THR 48 8.378 -0.547 -2.684 323 HG23 THR 48 HG23 THR 48 6.908 0.107 -3.405 324 H CYS 49 H CYS 49 4.816 -0.081 -1.379 325 HA CYS 49 HA CYS 49 4.184 0.124 1.446 326 HB2 CYS 49 HB2 CYS 49 2.306 -0.393 0.088 327 HB3 CYS 49 HB3 CYS 49 3.182 -1.625 -0.809 328 H VAL 50 H VAL 50 5.580 -0.766 2.858 329 HA VAL 50 HA VAL 50 6.983 -3.162 1.957 330 HB VAL 50 HB VAL 50 8.827 -2.605 3.451 331 HG11 VAL 50 HG11 VAL 50 8.052 -0.265 1.716 332 HG12 VAL 50 HG12 VAL 50 8.891 -1.723 1.177 333 HG13 VAL 50 HG13 VAL 50 9.673 -0.619 2.311 334 HG21 VAL 50 HG21 VAL 50 7.250 -0.129 4.107 335 HG22 VAL 50 HG22 VAL 50 8.908 -0.457 4.614 336 HG23 VAL 50 HG23 VAL 50 7.587 -1.472 5.196 337 H CYS 51 H CYS 51 6.638 -4.964 3.011 338 HA CYS 51 HA CYS 51 4.870 -4.888 5.318 339 HB2 CYS 51 HB2 CYS 51 5.782 -7.303 3.770 340 HB3 CYS 51 HB3 CYS 51 4.423 -7.181 4.873 341 H SER 52 H SER 52 5.216 -6.130 7.165 342 HA SER 52 HA SER 52 7.945 -7.066 7.633 343 HB2 SER 52 HB2 SER 52 6.309 -5.391 9.560 344 HB3 SER 52 HB3 SER 52 7.922 -6.042 9.861 345 HG SER 52 HG SER 52 8.131 -4.758 7.616 346 H ARG 53 H ARG 53 8.077 -8.632 9.399 347 HA ARG 53 HA ARG 53 7.490 -10.608 10.288 348 HB2 ARG 53 HB2 ARG 53 4.855 -9.196 10.734 349 HB3 ARG 53 HB3 ARG 53 5.312 -10.724 11.477 350 HG2 ARG 53 HG2 ARG 53 6.757 -8.108 11.836 351 HG3 ARG 53 HG3 ARG 53 5.633 -8.831 12.991 352 HD2 ARG 53 HD2 ARG 53 7.083 -10.609 13.462 353 HD3 ARG 53 HD3 ARG 53 8.050 -10.328 12.019 354 HE ARG 53 HE ARG 53 8.298 -8.053 13.505 355 HH11 ARG 53 HH11 ARG 53 8.962 -11.467 13.999 356 HH12 ARG 53 HH12 ARG 53 10.287 -11.201 15.070 357 HH21 ARG 53 HH21 ARG 53 10.073 -7.691 14.946 358 HH22 ARG 53 HH22 ARG 53 10.915 -9.044 15.614 359 H CYS 54 H CYS 54 7.609 -10.899 7.805 360 HA CYS 54 HA CYS 54 5.140 -12.050 6.759 361 HB2 CYS 54 HB2 CYS 54 7.844 -11.718 5.453 362 HB3 CYS 54 HB3 CYS 54 6.399 -12.332 4.656 363 H GLY 55 H GLY 55 5.008 -14.289 6.042 364 HA2 GLY 55 HA2 GLY 55 5.369 -16.497 6.329 365 HA3 GLY 55 HA3 GLY 55 7.045 -16.119 6.717 366 H ASN 56 H ASN 56 7.677 -16.010 8.785 367 HA ASN 56 HA ASN 56 5.635 -16.286 10.880 368 HB2 ASN 56 HB2 ASN 56 8.205 -17.866 10.637 369 HB3 ASN 56 HB3 ASN 56 7.188 -17.847 12.072 370 HD21 ASN 56 HD21 ASN 56 5.257 -18.956 12.058 371 HD22 ASN 56 HD22 ASN 56 4.836 -20.080 10.816 372 H GLY 57 H GLY 57 9.107 -15.732 10.310 373 HA2 GLY 57 HA2 GLY 57 9.174 -13.182 11.411 374 HA3 GLY 57 HA3 GLY 57 9.514 -14.311 12.716 375 H GLY 58 H GLY 58 11.548 -14.838 13.016 376 HA2 GLY 58 HA2 GLY 58 13.432 -14.368 10.793 377 HA3 GLY 58 HA3 GLY 58 13.844 -14.170 12.492 378 H GLY 59 H GLY 59 12.919 -16.383 13.654 379 HA2 GLY 59 HA2 GLY 59 13.442 -18.580 14.098 380 HA3 GLY 59 HA3 GLY 59 13.316 -18.836 12.364 381 H GLU 60 H GLU 60 15.526 -17.670 14.866 382 HA GLU 60 HA GLU 60 17.667 -19.205 13.718 383 HB2 GLU 60 HB2 GLU 60 19.183 -17.226 13.457 384 HB3 GLU 60 HB3 GLU 60 17.885 -17.321 12.278 385 HG2 GLU 60 HG2 GLU 60 16.611 -15.699 13.729 386 HG3 GLU 60 HG3 GLU 60 18.106 -15.480 14.640 387 H TRP 61 H TRP 61 19.774 -18.681 14.956 388 HA TRP 61 HA TRP 61 19.287 -17.844 17.695 389 HB2 TRP 61 HB2 TRP 61 20.378 -19.941 18.596 390 HB3 TRP 61 HB3 TRP 61 18.751 -20.138 17.970 391 HD1 TRP 61 HD1 TRP 61 22.305 -21.327 17.495 392 HE1 TRP 61 HE1 TRP 61 22.362 -23.201 15.736 393 HE3 TRP 61 HE3 TRP 61 17.517 -20.952 15.742 394 HZ2 TRP 61 HZ2 TRP 61 20.624 -24.368 13.868 395 HZ3 TRP 61 HZ3 TRP 61 16.797 -22.496 13.968 396 HH2 TRP 61 HH2 TRP 61 18.321 -24.167 13.053 397 HA PRO 62 HA PRO 62 23.372 -16.387 16.288 398 HB2 PRO 62 HB2 PRO 62 23.161 -13.908 17.309 399 HB3 PRO 62 HB3 PRO 62 22.398 -14.356 15.778 400 HG2 PRO 62 HG2 PRO 62 21.181 -14.102 18.497 401 HG3 PRO 62 HG3 PRO 62 20.539 -13.578 16.930 402 HD2 PRO 62 HD2 PRO 62 19.781 -15.885 18.197 403 HD3 PRO 62 HD3 PRO 62 19.714 -15.658 16.440 404 H ASN 63 H ASN 63 21.828 -16.390 19.430 405 HA ASN 63 HA ASN 63 24.289 -15.874 20.851 406 HB2 ASN 63 HB2 ASN 63 22.322 -15.001 21.880 407 HB3 ASN 63 HB3 ASN 63 21.479 -16.534 21.745 408 HD21 ASN 63 HD21 ASN 63 21.753 -18.064 23.301 409 HD22 ASN 63 HD22 ASN 63 22.662 -17.801 24.747 410 H LEU 64 H LEU 64 22.561 -18.532 19.652 411 HA LEU 64 HA LEU 64 22.974 -20.764 19.553 412 HB2 LEU 64 HB2 LEU 64 25.643 -20.135 20.817 413 HB3 LEU 64 HB3 LEU 64 25.212 -21.607 19.976 414 HG LEU 64 HG LEU 64 25.461 -18.878 18.712 415 HD11 LEU 64 HD11 LEU 64 27.260 -21.289 18.557 416 HD12 LEU 64 HD12 LEU 64 27.605 -19.789 19.417 417 HD13 LEU 64 HD13 LEU 64 27.458 -19.785 17.660 418 HD21 LEU 64 HD21 LEU 64 25.340 -20.176 16.591 419 HD22 LEU 64 HD22 LEU 64 23.843 -20.159 17.515 420 HD23 LEU 64 HD23 LEU 64 24.875 -21.592 17.537 421 HA PRO 65 HA PRO 65 21.866 -21.449 23.935 422 HB2 PRO 65 HB2 PRO 65 19.615 -22.835 23.465 423 HB3 PRO 65 HB3 PRO 65 19.639 -21.069 23.375 424 HG2 PRO 65 HG2 PRO 65 19.748 -23.079 21.160 425 HG3 PRO 65 HG3 PRO 65 18.824 -21.569 21.255 426 HD2 PRO 65 HD2 PRO 65 21.196 -21.824 19.910 427 HD3 PRO 65 HD3 PRO 65 20.616 -20.292 20.591 428 H SER 66 H SER 66 21.494 -23.616 25.043 429 HA SER 66 HA SER 66 23.261 -25.548 23.917 430 HB2 SER 66 HB2 SER 66 23.120 -25.114 26.370 431 HB3 SER 66 HB3 SER 66 21.492 -25.788 26.366 432 HG SER 66 HG SER 66 23.653 -27.285 25.342 433 H ARG 67 H ARG 67 22.486 -26.400 22.155 434 HA ARG 67 HA ARG 67 19.732 -27.240 21.918 435 HB2 ARG 67 HB2 ARG 67 22.040 -27.406 20.002 436 HB3 ARG 67 HB3 ARG 67 20.428 -28.005 19.639 437 HG2 ARG 67 HG2 ARG 67 19.523 -25.769 19.941 438 HG3 ARG 67 HG3 ARG 67 21.143 -25.163 20.302 439 HD2 ARG 67 HD2 ARG 67 20.491 -24.741 17.968 440 HD3 ARG 67 HD3 ARG 67 21.903 -25.790 18.101 441 HE ARG 67 HE ARG 67 20.572 -27.637 17.451 442 HH11 ARG 67 HH11 ARG 67 18.835 -24.593 17.319 443 HH12 ARG 67 HH12 ARG 67 17.625 -25.179 16.234 444 HH21 ARG 67 HH21 ARG 67 18.946 -28.426 16.005 445 HH22 ARG 67 HH22 ARG 67 17.689 -27.365 15.480 446 H GLY 68 H GLY 68 18.950 -29.152 22.255 447 HA2 GLY 68 HA2 GLY 68 20.833 -31.394 22.459 448 HA3 GLY 68 HA3 GLY 68 19.415 -31.221 23.490 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 5.339 2.887 -15.422 2 H2 GLY 1 H2 GLY 1 4.118 4.030 -15.170 3 H3 GLY 1 H3 GLY 1 4.793 3.843 -16.704 4 HA2 GLY 1 HA2 GLY 1 3.880 1.650 -16.912 5 HA3 GLY 1 HA3 GLY 1 3.226 1.780 -15.287 6 H SER 2 H SER 2 1.450 1.191 -17.159 7 HA SER 2 HA SER 2 0.275 3.642 -18.181 8 HB2 SER 2 HB2 SER 2 -0.624 0.779 -18.504 9 HB3 SER 2 HB3 SER 2 -1.251 2.176 -19.381 10 HG SER 2 HG SER 2 1.367 2.229 -19.647 11 H ALA 3 H ALA 3 0.368 2.772 -15.308 12 HA ALA 3 HA ALA 3 -2.487 3.129 -14.737 13 HB1 ALA 3 HB1 ALA 3 -0.385 1.774 -13.050 14 HB2 ALA 3 HB2 ALA 3 -1.631 0.955 -13.986 15 HB3 ALA 3 HB3 ALA 3 -2.084 1.977 -12.618 16 H LEU 4 H LEU 4 -2.798 4.343 -12.624 17 HA LEU 4 HA LEU 4 -1.071 6.649 -12.695 18 HB2 LEU 4 HB2 LEU 4 -2.632 7.738 -11.245 19 HB3 LEU 4 HB3 LEU 4 -3.535 6.903 -12.484 20 HG LEU 4 HG LEU 4 -3.175 5.741 -9.725 21 HD11 LEU 4 HD11 LEU 4 -4.176 7.939 -9.484 22 HD12 LEU 4 HD12 LEU 4 -5.359 6.670 -9.170 23 HD13 LEU 4 HD13 LEU 4 -5.383 7.537 -10.704 24 HD21 LEU 4 HD21 LEU 4 -5.139 5.264 -11.968 25 HD22 LEU 4 HD22 LEU 4 -5.320 4.614 -10.343 26 HD23 LEU 4 HD23 LEU 4 -3.945 4.131 -11.328 27 H ASP 5 H ASP 5 -2.032 4.227 -10.294 28 HA ASP 5 HA ASP 5 0.186 5.020 -8.603 29 HB2 ASP 5 HB2 ASP 5 -2.233 3.297 -8.275 30 HB3 ASP 5 HB3 ASP 5 -0.848 3.025 -7.222 31 H PHE 6 H PHE 6 2.037 3.880 -8.455 32 HA PHE 6 HA PHE 6 2.189 1.412 -10.010 33 HB2 PHE 6 HB2 PHE 6 4.623 1.767 -10.036 34 HB3 PHE 6 HB3 PHE 6 3.791 3.165 -10.700 35 HD1 PHE 6 HD2 PHE 6 3.420 5.159 -9.069 36 HD2 PHE 6 HD1 PHE 6 6.208 2.019 -8.396 37 HE1 PHE 6 HE2 PHE 6 4.657 6.595 -7.502 38 HE2 PHE 6 HE1 PHE 6 7.448 3.448 -6.834 39 HZ PHE 6 HZ PHE 6 6.674 5.740 -6.385 40 H THR 7 H THR 7 2.518 2.911 -6.931 41 HA THR 7 HA THR 7 2.871 0.304 -5.667 42 HB THR 7 HB THR 7 3.677 1.784 -3.713 43 HG1 THR 7 HG1 THR 7 4.351 3.819 -4.246 44 HG21 THR 7 HG21 THR 7 5.208 0.342 -4.941 45 HG22 THR 7 HG22 THR 7 5.980 1.893 -4.611 46 HG23 THR 7 HG23 THR 7 5.348 1.546 -6.219 47 H SER 8 H SER 8 1.614 0.050 -3.691 48 HA SER 8 HA SER 8 -1.014 1.151 -3.937 49 HB2 SER 8 HB2 SER 8 0.105 -0.468 -1.648 50 HB3 SER 8 HB3 SER 8 -1.589 -0.297 -2.112 51 HG SER 8 HG SER 8 -0.525 -1.150 -4.262 52 H CYS 9 H CYS 9 1.793 2.160 -2.316 53 HA CYS 9 HA CYS 9 0.296 3.614 -0.286 54 HB2 CYS 9 HB2 CYS 9 3.180 2.873 -0.532 55 HB3 CYS 9 HB3 CYS 9 2.633 4.113 0.595 56 H ALA 10 H ALA 10 0.907 4.341 -3.277 57 HA ALA 10 HA ALA 10 2.312 6.757 -3.254 58 HB1 ALA 10 HB1 ALA 10 1.615 5.572 -5.295 59 HB2 ALA 10 HB2 ALA 10 1.149 7.274 -5.329 60 HB3 ALA 10 HB3 ALA 10 -0.057 6.033 -4.980 61 H ARG 11 H ARG 11 -0.894 5.972 -2.204 62 HA ARG 11 HA ARG 11 -2.064 8.513 -2.122 63 HB2 ARG 11 HB2 ARG 11 -3.018 6.982 0.095 64 HB3 ARG 11 HB3 ARG 11 -3.835 7.376 -1.404 65 HG2 ARG 11 HG2 ARG 11 -1.943 5.055 -1.170 66 HG3 ARG 11 HG3 ARG 11 -3.654 4.937 -0.776 67 HD2 ARG 11 HD2 ARG 11 -2.523 5.804 -3.425 68 HD3 ARG 11 HD3 ARG 11 -3.191 4.215 -3.060 69 HE ARG 11 HE ARG 11 -5.188 5.945 -2.371 70 HH11 ARG 11 HH11 ARG 11 -3.395 5.423 -5.356 71 HH12 ARG 11 HH12 ARG 11 -4.722 5.917 -6.357 72 HH21 ARG 11 HH21 ARG 11 -6.904 6.590 -3.704 73 HH22 ARG 11 HH22 ARG 11 -6.710 6.580 -5.424 74 H MET 12 H MET 12 0.518 7.270 -0.197 75 HA MET 12 HA MET 12 0.040 8.459 2.247 76 HB2 MET 12 HB2 MET 12 2.372 8.297 2.701 77 HB3 MET 12 HB3 MET 12 1.939 6.911 1.711 78 HG2 MET 12 HG2 MET 12 3.017 7.761 -0.171 79 HG3 MET 12 HG3 MET 12 3.059 9.398 0.473 80 HE1 MET 12 HE1 MET 12 4.538 5.802 0.661 81 HE2 MET 12 HE2 MET 12 4.078 6.039 2.350 82 HE3 MET 12 HE3 MET 12 5.781 5.948 1.904 83 H ASN 13 H ASN 13 0.567 10.045 -0.760 84 HA ASN 13 HA ASN 13 1.266 12.508 0.672 85 HB2 ASN 13 HB2 ASN 13 1.986 13.373 -1.614 86 HB3 ASN 13 HB3 ASN 13 3.013 12.142 -0.898 87 HD21 ASN 13 HD21 ASN 13 3.369 10.309 -1.979 88 HD22 ASN 13 HD22 ASN 13 2.636 9.905 -3.490 89 H ASP 14 H ASP 14 -1.367 11.368 0.489 90 HA ASP 14 HA ASP 14 -2.704 13.381 -1.200 91 HB2 ASP 14 HB2 ASP 14 -3.149 11.070 -1.996 92 HB3 ASP 14 HB3 ASP 14 -3.742 10.634 -0.411 93 H GLY 15 H GLY 15 -1.748 13.179 1.751 94 HA2 GLY 15 HA2 GLY 15 -2.558 14.593 3.462 95 HA3 GLY 15 HA3 GLY 15 -4.180 14.397 2.824 96 H ALA 16 H ALA 16 -4.280 14.181 5.342 97 HA ALA 16 HA ALA 16 -3.522 11.902 6.693 98 HB1 ALA 16 HB1 ALA 16 -4.501 13.889 7.747 99 HB2 ALA 16 HB2 ALA 16 -5.291 12.403 8.272 100 HB3 ALA 16 HB3 ALA 16 -6.078 13.449 7.092 101 H LEU 17 H LEU 17 -6.250 12.338 4.524 102 HA LEU 17 HA LEU 17 -7.494 9.834 5.204 103 HB2 LEU 17 HB2 LEU 17 -8.384 12.044 3.925 104 HB3 LEU 17 HB3 LEU 17 -7.953 11.061 2.539 105 HG LEU 17 HG LEU 17 -10.316 10.836 3.022 106 HD11 LEU 17 HD11 LEU 17 -9.200 8.872 2.141 107 HD12 LEU 17 HD12 LEU 17 -10.500 8.418 3.241 108 HD13 LEU 17 HD13 LEU 17 -8.821 8.337 3.779 109 HD21 LEU 17 HD21 LEU 17 -9.474 9.860 5.746 110 HD22 LEU 17 HD22 LEU 17 -11.121 9.880 5.117 111 HD23 LEU 17 HD23 LEU 17 -10.261 11.396 5.389 112 H GLY 18 H GLY 18 -5.362 11.065 2.702 113 HA2 GLY 18 HA2 GLY 18 -5.139 8.776 1.097 114 HA3 GLY 18 HA3 GLY 18 -3.935 10.042 1.267 115 H ALA 19 H ALA 19 -3.239 9.831 3.900 116 HA ALA 19 HA ALA 19 -1.348 7.794 3.909 117 HB1 ALA 19 HB1 ALA 19 -1.219 9.808 5.309 118 HB2 ALA 19 HB2 ALA 19 -1.017 8.338 6.256 119 HB3 ALA 19 HB3 ALA 19 -2.553 9.203 6.290 120 H LYS 20 H LYS 20 -4.587 7.926 5.263 121 HA LYS 20 HA LYS 20 -4.542 5.429 6.572 122 HB2 LYS 20 HB2 LYS 20 -6.334 7.526 6.352 123 HB3 LYS 20 HB3 LYS 20 -7.147 6.219 5.512 124 HG2 LYS 20 HG2 LYS 20 -7.827 6.240 7.813 125 HG3 LYS 20 HG3 LYS 20 -6.865 4.793 7.499 126 HD2 LYS 20 HD2 LYS 20 -6.212 5.801 9.621 127 HD3 LYS 20 HD3 LYS 20 -4.895 5.914 8.454 128 HE2 LYS 20 HE2 LYS 20 -5.496 8.223 7.977 129 HE3 LYS 20 HE3 LYS 20 -6.838 8.119 9.116 130 HZ1 LYS 20 HZ1 LYS 20 -3.952 7.893 9.762 131 HZ2 LYS 20 HZ2 LYS 20 -5.200 7.671 10.875 132 HZ3 LYS 20 HZ3 LYS 20 -4.974 9.182 10.154 133 H VAL 21 H VAL 21 -5.608 6.419 3.349 134 HA VAL 21 HA VAL 21 -6.530 3.891 2.510 135 HB VAL 21 HB VAL 21 -5.351 6.096 0.779 136 HG11 VAL 21 HG11 VAL 21 -6.694 5.093 -1.016 137 HG12 VAL 21 HG12 VAL 21 -7.189 3.804 0.083 138 HG13 VAL 21 HG13 VAL 21 -5.498 3.958 -0.385 139 HG21 VAL 21 HG21 VAL 21 -7.681 6.799 0.452 140 HG22 VAL 21 HG22 VAL 21 -7.187 6.933 2.139 141 HG23 VAL 21 HG23 VAL 21 -8.207 5.589 1.623 142 H ALA 22 H ALA 22 -3.412 5.509 2.168 143 HA ALA 22 HA ALA 22 -2.059 3.581 0.709 144 HB1 ALA 22 HB1 ALA 22 -1.185 5.819 1.100 145 HB2 ALA 22 HB2 ALA 22 -0.009 4.596 1.585 146 HB3 ALA 22 HB3 ALA 22 -0.956 5.442 2.806 147 H GLN 23 H GLN 23 -2.164 3.978 4.246 148 HA GLN 23 HA GLN 23 -0.554 1.727 4.773 149 HB2 GLN 23 HB2 GLN 23 -1.069 1.995 7.060 150 HB3 GLN 23 HB3 GLN 23 -1.105 3.614 6.383 151 HG2 GLN 23 HG2 GLN 23 -3.564 3.463 6.261 152 HG3 GLN 23 HG3 GLN 23 -3.459 1.890 7.055 153 HE21 GLN 23 HE21 GLN 23 -2.917 1.785 9.224 154 HE22 GLN 23 HE22 GLN 23 -2.933 3.175 10.248 155 H ALA 24 H ALA 24 -4.057 2.098 4.517 156 HA ALA 24 HA ALA 24 -4.754 -0.502 5.349 157 HB1 ALA 24 HB1 ALA 24 -6.909 -0.076 4.290 158 HB2 ALA 24 HB2 ALA 24 -6.228 1.313 3.441 159 HB3 ALA 24 HB3 ALA 24 -6.369 1.338 5.199 160 H ALA 25 H ALA 25 -4.223 0.859 2.124 161 HA ALA 25 HA ALA 25 -4.691 -1.519 0.684 162 HB1 ALA 25 HB1 ALA 25 -4.666 0.714 -0.353 163 HB2 ALA 25 HB2 ALA 25 -3.578 -0.407 -1.171 164 HB3 ALA 25 HB3 ALA 25 -2.926 0.811 -0.073 165 H CYS 26 H CYS 26 -1.849 -0.181 2.253 166 HA CYS 26 HA CYS 26 0.054 -1.951 1.149 167 HB2 CYS 26 HB2 CYS 26 0.659 0.192 2.184 168 HB3 CYS 26 HB3 CYS 26 0.099 -0.400 3.744 169 H ILE 27 H ILE 27 -1.572 -1.869 4.295 170 HA ILE 27 HA ILE 27 -0.473 -4.187 5.401 171 HB ILE 27 HB ILE 27 -3.212 -2.990 5.843 172 HG12 ILE 27 HG12 ILE 27 -0.685 -2.652 7.470 173 HG13 ILE 27 HG13 ILE 27 -1.251 -1.493 6.276 174 HG21 ILE 27 HG21 ILE 27 -3.152 -5.266 6.611 175 HG22 ILE 27 HG22 ILE 27 -3.159 -4.171 7.995 176 HG23 ILE 27 HG23 ILE 27 -1.661 -4.965 7.503 177 HD11 ILE 27 HD11 ILE 27 -2.688 -2.305 8.791 178 HD12 ILE 27 HD12 ILE 27 -3.291 -1.170 7.580 179 HD13 ILE 27 HD13 ILE 27 -1.838 -0.786 8.499 180 H SER 28 H SER 28 -3.415 -3.787 3.499 181 HA SER 28 HA SER 28 -4.212 -6.474 3.579 182 HB2 SER 28 HB2 SER 28 -4.735 -4.533 1.338 183 HB3 SER 28 HB3 SER 28 -5.681 -5.959 1.784 184 HG SER 28 HG SER 28 -5.467 -3.476 3.106 185 H SER 29 H SER 29 -2.208 -4.740 1.192 186 HA SER 29 HA SER 29 -1.790 -6.896 -0.550 187 HB2 SER 29 HB2 SER 29 0.086 -4.592 0.042 188 HB3 SER 29 HB3 SER 29 0.130 -5.626 -1.388 189 HG SER 29 HG SER 29 -1.585 -3.548 -0.732 190 H CYS 30 H CYS 30 -0.155 -5.939 2.420 191 HA CYS 30 HA CYS 30 1.978 -7.745 2.251 192 HB2 CYS 30 HB2 CYS 30 0.627 -6.372 4.559 193 HB3 CYS 30 HB3 CYS 30 2.083 -7.353 4.735 194 H LYS 31 H LYS 31 -1.139 -7.923 3.888 195 HA LYS 31 HA LYS 31 -0.899 -10.465 4.947 196 HB2 LYS 31 HB2 LYS 31 -3.365 -9.111 3.871 197 HB3 LYS 31 HB3 LYS 31 -3.354 -10.494 4.957 198 HG2 LYS 31 HG2 LYS 31 -2.607 -9.219 6.770 199 HG3 LYS 31 HG3 LYS 31 -1.943 -7.982 5.715 200 HD2 LYS 31 HD2 LYS 31 -3.909 -6.982 5.351 201 HD3 LYS 31 HD3 LYS 31 -4.866 -8.453 5.601 202 HE2 LYS 31 HE2 LYS 31 -3.488 -6.793 7.702 203 HE3 LYS 31 HE3 LYS 31 -5.219 -6.827 7.364 204 HZ1 LYS 31 HZ1 LYS 31 -5.156 -9.233 7.954 205 HZ2 LYS 31 HZ2 LYS 31 -4.796 -8.202 9.238 206 HZ3 LYS 31 HZ3 LYS 31 -3.552 -9.033 8.457 207 H PHE 32 H PHE 32 -1.895 -9.496 1.660 208 HA PHE 32 HA PHE 32 -2.634 -11.979 0.691 209 HB2 PHE 32 HB2 PHE 32 -1.395 -9.584 -0.651 210 HB3 PHE 32 HB3 PHE 32 -1.901 -11.002 -1.547 211 HD1 PHE 32 HD2 PHE 32 -4.423 -11.526 0.184 212 HD2 PHE 32 HD1 PHE 32 -2.855 -8.039 -1.690 213 HE1 PHE 32 HE2 PHE 32 -6.686 -10.578 0.056 214 HE2 PHE 32 HE1 PHE 32 -5.117 -7.086 -1.817 215 HZ PHE 32 HZ PHE 32 -7.035 -8.356 -0.946 216 H GLN 33 H GLN 33 0.576 -10.622 1.161 217 HA GLN 33 HA GLN 33 1.770 -12.991 -0.079 218 HB2 GLN 33 HB2 GLN 33 3.935 -11.765 0.177 219 HB3 GLN 33 HB3 GLN 33 2.762 -10.928 -0.826 220 HG2 GLN 33 HG2 GLN 33 2.176 -9.534 1.131 221 HG3 GLN 33 HG3 GLN 33 3.495 -10.297 2.016 222 HE21 GLN 33 HE21 GLN 33 2.631 -8.112 -0.516 223 HE22 GLN 33 HE22 GLN 33 4.198 -7.413 -0.732 224 H ASN 34 H ASN 34 0.394 -12.578 2.625 225 HA ASN 34 HA ASN 34 0.362 -13.806 4.543 226 HB2 ASN 34 HB2 ASN 34 1.784 -15.492 3.048 227 HB3 ASN 34 HB3 ASN 34 3.086 -14.956 4.109 228 HD21 ASN 34 HD21 ASN 34 2.000 -17.575 3.902 229 HD22 ASN 34 HD22 ASN 34 1.365 -17.989 5.454 230 H CYS 35 H CYS 35 1.366 -11.092 4.441 231 HA CYS 35 HA CYS 35 3.294 -11.284 6.567 232 HB2 CYS 35 HB2 CYS 35 2.919 -9.145 4.487 233 HB3 CYS 35 HB3 CYS 35 3.904 -8.908 5.921 234 H GLY 36 H GLY 36 2.870 -10.420 8.431 235 HA2 GLY 36 HA2 GLY 36 0.221 -10.158 9.247 236 HA3 GLY 36 HA3 GLY 36 1.616 -9.700 10.199 237 H THR 37 H THR 37 2.588 -7.550 8.743 238 HA THR 37 HA THR 37 0.326 -5.757 8.431 239 HB THR 37 HB THR 37 0.802 -5.781 10.889 240 HG1 THR 37 HG1 THR 37 -0.140 -3.936 10.291 241 HG21 THR 37 HG21 THR 37 3.229 -6.091 10.817 242 HG22 THR 37 HG22 THR 37 2.822 -4.621 11.701 243 HG23 THR 37 HG23 THR 37 3.420 -4.516 10.046 244 H GLY 38 H GLY 38 0.748 -4.005 7.245 245 HA2 GLY 38 HA2 GLY 38 3.518 -3.732 6.284 246 HA3 GLY 38 HA3 GLY 38 2.103 -3.484 5.262 247 H HIS 39 H HIS 39 4.154 -1.618 5.568 248 HA HIS 39 HA HIS 39 2.558 0.597 6.498 249 HB2 HIS 39 HB2 HIS 39 4.132 1.562 7.972 250 HB3 HIS 39 HB3 HIS 39 4.067 -0.124 8.445 251 HD1 HIS 39 HD1 HIS 39 6.228 -1.471 8.237 252 HD2 HIS 39 HD2 HIS 39 6.571 2.396 6.772 253 HE1 HIS 39 HE1 HIS 39 8.685 -1.083 7.947 254 HE2 HIS 39 HE2 HIS 39 8.878 1.204 6.924 255 H CYS 40 H CYS 40 3.076 2.506 5.505 256 HA CYS 40 HA CYS 40 4.335 2.068 2.957 257 HB2 CYS 40 HB2 CYS 40 3.005 4.522 4.077 258 HB3 CYS 40 HB3 CYS 40 3.491 4.259 2.402 259 H GLU 41 H GLU 41 6.300 2.582 2.435 260 HA GLU 41 HA GLU 41 7.718 4.557 4.062 261 HB2 GLU 41 HB2 GLU 41 8.163 2.189 4.760 262 HB3 GLU 41 HB3 GLU 41 8.837 1.911 3.166 263 HG2 GLU 41 HG2 GLU 41 10.575 3.524 3.594 264 HG3 GLU 41 HG3 GLU 41 9.862 3.890 5.168 265 H ARG 42 H ARG 42 9.158 5.832 2.870 266 HA ARG 42 HA ARG 42 8.937 5.538 -0.010 267 HB2 ARG 42 HB2 ARG 42 9.930 7.760 1.741 268 HB3 ARG 42 HB3 ARG 42 10.289 7.730 0.024 269 HG2 ARG 42 HG2 ARG 42 7.855 7.607 -0.412 270 HG3 ARG 42 HG3 ARG 42 7.580 7.855 1.318 271 HD2 ARG 42 HD2 ARG 42 7.439 10.016 0.489 272 HD3 ARG 42 HD3 ARG 42 9.131 9.914 0.972 273 HE ARG 42 HE ARG 42 8.754 9.169 -1.751 274 HH11 ARG 42 HH11 ARG 42 9.081 11.916 0.409 275 HH12 ARG 42 HH12 ARG 42 9.601 13.002 -0.830 276 HH21 ARG 42 HH21 ARG 42 9.428 10.618 -3.417 277 HH22 ARG 42 HH22 ARG 42 9.822 12.253 -3.016 278 H ARG 43 H ARG 43 10.380 4.705 -1.202 279 HA ARG 43 HA ARG 43 13.154 4.584 -0.249 280 HB2 ARG 43 HB2 ARG 43 11.624 2.298 -1.506 281 HB3 ARG 43 HB3 ARG 43 13.356 2.294 -1.184 282 HG2 ARG 43 HG2 ARG 43 12.815 2.675 1.233 283 HG3 ARG 43 HG3 ARG 43 11.121 2.417 0.820 284 HD2 ARG 43 HD2 ARG 43 11.605 0.183 0.070 285 HD3 ARG 43 HD3 ARG 43 13.333 0.444 0.330 286 HE ARG 43 HE ARG 43 12.102 0.962 2.756 287 HH11 ARG 43 HH11 ARG 43 12.373 -1.817 0.623 288 HH12 ARG 43 HH12 ARG 43 12.318 -2.960 1.916 289 HH21 ARG 43 HH21 ARG 43 12.003 -0.520 4.434 290 HH22 ARG 43 HH22 ARG 43 12.092 -2.223 4.108 291 H GLY 44 H GLY 44 14.506 5.403 -1.667 292 HA2 GLY 44 HA2 GLY 44 15.249 6.412 -3.596 293 HA3 GLY 44 HA3 GLY 44 14.345 5.170 -4.451 294 H GLY 45 H GLY 45 13.094 7.723 -2.271 295 HA2 GLY 45 HA2 GLY 45 11.584 9.379 -2.618 296 HA3 GLY 45 HA3 GLY 45 12.029 9.348 -4.320 297 H ARG 46 H ARG 46 11.189 6.359 -3.721 298 HA ARG 46 HA ARG 46 8.529 6.776 -4.854 299 HB2 ARG 46 HB2 ARG 46 10.092 4.209 -4.611 300 HB3 ARG 46 HB3 ARG 46 8.599 4.437 -5.514 301 HG2 ARG 46 HG2 ARG 46 11.237 5.769 -6.091 302 HG3 ARG 46 HG3 ARG 46 10.543 4.412 -6.988 303 HD2 ARG 46 HD2 ARG 46 8.610 5.852 -7.568 304 HD3 ARG 46 HD3 ARG 46 9.397 7.192 -6.736 305 HE ARG 46 HE ARG 46 11.021 5.998 -8.781 306 HH11 ARG 46 HH11 ARG 46 8.533 8.394 -8.139 307 HH12 ARG 46 HH12 ARG 46 8.874 9.312 -9.564 308 HH21 ARG 46 HH21 ARG 46 11.469 7.212 -10.650 309 HH22 ARG 46 HH22 ARG 46 10.545 8.634 -11.004 310 HA PRO 47 HA PRO 47 6.818 5.824 -0.793 311 HB2 PRO 47 HB2 PRO 47 4.225 6.124 -1.562 312 HB3 PRO 47 HB3 PRO 47 5.279 7.477 -1.135 313 HG2 PRO 47 HG2 PRO 47 4.540 6.440 -3.843 314 HG3 PRO 47 HG3 PRO 47 4.650 8.120 -3.283 315 HD2 PRO 47 HD2 PRO 47 6.599 6.964 -4.724 316 HD3 PRO 47 HD3 PRO 47 6.946 8.161 -3.457 317 H THR 48 H THR 48 7.190 3.674 -0.569 318 HA THR 48 HA THR 48 5.636 1.841 -2.266 319 HB THR 48 HB THR 48 8.228 1.197 -0.853 320 HG1 THR 48 HG1 THR 48 8.263 3.014 -2.480 321 HG21 THR 48 HG21 THR 48 6.867 -0.027 -3.265 322 HG22 THR 48 HG22 THR 48 6.876 -0.712 -1.639 323 HG23 THR 48 HG23 THR 48 8.384 -0.568 -2.544 324 H CYS 49 H CYS 49 4.879 -0.100 -1.273 325 HA CYS 49 HA CYS 49 4.251 0.175 1.540 326 HB2 CYS 49 HB2 CYS 49 2.414 -0.483 0.163 327 HB3 CYS 49 HB3 CYS 49 3.373 -1.727 -0.631 328 H VAL 50 H VAL 50 5.627 -0.711 3.025 329 HA VAL 50 HA VAL 50 7.049 -3.097 2.149 330 HB VAL 50 HB VAL 50 8.933 -2.525 3.567 331 HG11 VAL 50 HG11 VAL 50 8.929 -1.691 1.273 332 HG12 VAL 50 HG12 VAL 50 9.762 -0.570 2.350 333 HG13 VAL 50 HG13 VAL 50 8.123 -0.213 1.804 334 HG21 VAL 50 HG21 VAL 50 9.074 -0.361 4.690 335 HG22 VAL 50 HG22 VAL 50 7.755 -1.348 5.326 336 HG23 VAL 50 HG23 VAL 50 7.408 -0.017 4.221 337 H CYS 51 H CYS 51 6.740 -4.865 3.244 338 HA CYS 51 HA CYS 51 4.869 -4.783 5.446 339 HB2 CYS 51 HB2 CYS 51 5.951 -7.220 4.070 340 HB3 CYS 51 HB3 CYS 51 4.490 -7.069 5.028 341 H SER 52 H SER 52 5.057 -5.887 7.366 342 HA SER 52 HA SER 52 7.678 -6.935 8.103 343 HB2 SER 52 HB2 SER 52 6.032 -5.126 9.874 344 HB3 SER 52 HB3 SER 52 7.647 -5.753 10.195 345 HG SER 52 HG SER 52 8.004 -4.572 7.995 346 H ARG 53 H ARG 53 7.575 -8.335 9.991 347 HA ARG 53 HA ARG 53 6.757 -10.118 11.125 348 HB2 ARG 53 HB2 ARG 53 4.190 -8.518 11.135 349 HB3 ARG 53 HB3 ARG 53 4.538 -9.896 12.163 350 HG2 ARG 53 HG2 ARG 53 6.124 -7.341 12.188 351 HG3 ARG 53 HG3 ARG 53 4.766 -7.669 13.261 352 HD2 ARG 53 HD2 ARG 53 6.782 -8.173 14.454 353 HD3 ARG 53 HD3 ARG 53 5.987 -9.696 14.069 354 HE ARG 53 HE ARG 53 8.116 -8.739 12.302 355 HH11 ARG 53 HH11 ARG 53 7.029 -11.038 14.729 356 HH12 ARG 53 HH12 ARG 53 8.354 -12.118 14.476 357 HH21 ARG 53 HH21 ARG 53 9.863 -10.204 11.955 358 HH22 ARG 53 HH22 ARG 53 9.947 -11.652 12.895 359 H CYS 54 H CYS 54 7.014 -11.061 8.895 360 HA CYS 54 HA CYS 54 4.512 -11.731 7.679 361 HB2 CYS 54 HB2 CYS 54 7.307 -12.466 6.791 362 HB3 CYS 54 HB3 CYS 54 5.831 -12.780 5.879 363 H GLY 55 H GLY 55 3.780 -13.863 7.402 364 HA2 GLY 55 HA2 GLY 55 4.024 -15.177 9.906 365 HA3 GLY 55 HA3 GLY 55 3.033 -15.648 8.531 366 H ASN 56 H ASN 56 4.072 -16.710 6.823 367 HA ASN 56 HA ASN 56 6.513 -18.098 7.264 368 HB2 ASN 56 HB2 ASN 56 5.601 -20.370 7.639 369 HB3 ASN 56 HB3 ASN 56 5.262 -19.278 8.976 370 HD21 ASN 56 HD21 ASN 56 3.160 -18.727 9.435 371 HD22 ASN 56 HD22 ASN 56 1.801 -19.494 8.688 372 H GLY 57 H GLY 57 6.687 -20.031 5.857 373 HA2 GLY 57 HA2 GLY 57 4.928 -20.178 3.549 374 HA3 GLY 57 HA3 GLY 57 6.575 -19.643 3.218 375 H GLY 58 H GLY 58 5.152 -22.231 2.442 376 HA2 GLY 58 HA2 GLY 58 6.080 -24.312 2.124 377 HA3 GLY 58 HA3 GLY 58 7.271 -23.963 3.372 378 H GLY 59 H GLY 59 3.732 -24.266 3.103 379 HA2 GLY 59 HA2 GLY 59 3.806 -26.047 5.453 380 HA3 GLY 59 HA3 GLY 59 2.652 -24.719 5.371 381 H GLU 60 H GLU 60 3.741 -26.884 2.851 382 HA GLU 60 HA GLU 60 1.157 -28.234 2.708 383 HB2 GLU 60 HB2 GLU 60 2.308 -26.616 0.419 384 HB3 GLU 60 HB3 GLU 60 0.967 -27.740 0.269 385 HG2 GLU 60 HG2 GLU 60 -0.428 -26.374 1.625 386 HG3 GLU 60 HG3 GLU 60 0.925 -25.336 2.072 387 H TRP 61 H TRP 61 1.287 -30.248 1.591 388 HA TRP 61 HA TRP 61 3.817 -30.994 0.424 389 HB2 TRP 61 HB2 TRP 61 2.583 -32.523 2.739 390 HB3 TRP 61 HB3 TRP 61 3.974 -33.040 1.796 391 HD1 TRP 61 HD1 TRP 61 6.173 -31.363 2.007 392 HE1 TRP 61 HE1 TRP 61 7.070 -30.141 4.091 393 HE3 TRP 61 HE3 TRP 61 1.950 -31.471 4.863 394 HZ2 TRP 61 HZ2 TRP 61 6.098 -29.332 6.620 395 HZ3 TRP 61 HZ3 TRP 61 2.009 -30.452 7.101 396 HH2 TRP 61 HH2 TRP 61 4.040 -29.405 7.961 397 HA PRO 62 HA PRO 62 0.112 -32.827 -1.619 398 HB2 PRO 62 HB2 PRO 62 0.613 -31.965 -4.124 399 HB3 PRO 62 HB3 PRO 62 -0.201 -30.948 -2.931 400 HG2 PRO 62 HG2 PRO 62 2.637 -30.888 -3.851 401 HG3 PRO 62 HG3 PRO 62 1.561 -29.540 -3.447 402 HD2 PRO 62 HD2 PRO 62 3.503 -30.565 -1.767 403 HD3 PRO 62 HD3 PRO 62 2.088 -29.645 -1.226 404 H ASN 63 H ASN 63 1.156 -34.832 -1.131 405 HA ASN 63 HA ASN 63 2.220 -36.805 -1.593 406 HB2 ASN 63 HB2 ASN 63 0.719 -36.510 -3.667 407 HB3 ASN 63 HB3 ASN 63 2.158 -35.949 -4.504 408 HD21 ASN 63 HD21 ASN 63 3.781 -37.435 -4.994 409 HD22 ASN 63 HD22 ASN 63 3.520 -39.144 -4.945 410 H LEU 64 H LEU 64 3.866 -34.904 -0.688 411 HA LEU 64 HA LEU 64 5.829 -33.844 -0.700 412 HB2 LEU 64 HB2 LEU 64 7.813 -35.380 -1.090 413 HB3 LEU 64 HB3 LEU 64 6.657 -35.844 0.131 414 HG LEU 64 HG LEU 64 5.686 -37.318 -1.860 415 HD11 LEU 64 HD11 LEU 64 7.482 -38.232 -3.235 416 HD12 LEU 64 HD12 LEU 64 8.607 -37.055 -2.554 417 HD13 LEU 64 HD13 LEU 64 7.249 -36.510 -3.539 418 HD21 LEU 64 HD21 LEU 64 7.007 -39.174 -1.001 419 HD22 LEU 64 HD22 LEU 64 6.454 -38.125 0.307 420 HD23 LEU 64 HD23 LEU 64 8.125 -38.038 -0.247 421 HA PRO 65 HA PRO 65 6.142 -32.169 -4.801 422 HB2 PRO 65 HB2 PRO 65 7.198 -29.793 -4.042 423 HB3 PRO 65 HB3 PRO 65 5.478 -30.165 -3.884 424 HG2 PRO 65 HG2 PRO 65 7.629 -30.234 -1.808 425 HG3 PRO 65 HG3 PRO 65 5.965 -29.635 -1.677 426 HD2 PRO 65 HD2 PRO 65 6.752 -32.069 -0.755 427 HD3 PRO 65 HD3 PRO 65 5.106 -31.739 -1.326 428 H SER 66 H SER 66 7.858 -31.553 -6.196 429 HA SER 66 HA SER 66 10.366 -32.803 -5.539 430 HB2 SER 66 HB2 SER 66 9.506 -31.346 -8.049 431 HB3 SER 66 HB3 SER 66 10.953 -32.342 -7.877 432 HG SER 66 HG SER 66 8.826 -33.747 -7.062 433 H ARG 67 H ARG 67 9.102 -29.901 -4.886 434 HA ARG 67 HA ARG 67 11.454 -28.287 -5.361 435 HB2 ARG 67 HB2 ARG 67 8.848 -27.689 -3.957 436 HB3 ARG 67 HB3 ARG 67 10.139 -26.520 -4.195 437 HG2 ARG 67 HG2 ARG 67 9.893 -26.693 -6.588 438 HG3 ARG 67 HG3 ARG 67 8.649 -27.930 -6.390 439 HD2 ARG 67 HD2 ARG 67 7.661 -25.735 -6.834 440 HD3 ARG 67 HD3 ARG 67 7.225 -26.330 -5.232 441 HE ARG 67 HE ARG 67 9.545 -24.661 -5.187 442 HH11 ARG 67 HH11 ARG 67 6.045 -24.604 -5.271 443 HH12 ARG 67 HH12 ARG 67 5.912 -23.058 -4.507 444 HH21 ARG 67 HH21 ARG 67 9.386 -22.598 -4.198 445 HH22 ARG 67 HH22 ARG 67 7.832 -21.900 -3.902 446 H GLY 68 H GLY 68 13.120 -28.473 -4.049 447 HA2 GLY 68 HA2 GLY 68 12.605 -28.652 -1.182 448 HA3 GLY 68 HA3 GLY 68 13.645 -29.861 -1.925
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