NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19310 | 2elk | 10150 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -6.597 -11.591 -12.655 2 HA2 GLY 1 1HA GLY 1 -4.286 -13.354 -12.780 3 HA3 GLY 1 2HA GLY 1 -5.242 -13.457 -11.309 4 H SER 2 H SER 2 -5.090 -15.731 -12.577 5 HA SER 2 HA SER 2 -7.629 -15.963 -14.056 6 HB2 SER 2 1HB SER 2 -6.687 -17.756 -15.368 7 HB3 SER 2 2HB SER 2 -5.594 -16.376 -15.462 8 HG SER 2 HG SER 2 -4.914 -18.762 -14.820 9 H SER 3 H SER 3 -5.355 -17.605 -11.890 10 HA SER 3 HA SER 3 -7.177 -19.724 -11.260 11 HB2 SER 3 1HB SER 3 -4.621 -18.840 -9.900 12 HB3 SER 3 2HB SER 3 -5.502 -20.320 -9.524 13 HG SER 3 HG SER 3 -3.843 -20.760 -10.989 14 H GLY 4 H GLY 4 -6.060 -16.798 -9.582 15 HA2 GLY 4 1HA GLY 4 -6.965 -15.616 -7.835 16 HA3 GLY 4 2HA GLY 4 -8.514 -16.268 -8.348 17 H SER 5 H SER 5 -5.566 -17.557 -6.803 18 HA SER 5 HA SER 5 -6.789 -19.589 -5.372 19 HB2 SER 5 1HB SER 5 -4.352 -17.969 -4.596 20 HB3 SER 5 2HB SER 5 -4.805 -19.521 -3.893 21 HG SER 5 HG SER 5 -3.763 -20.380 -5.489 22 H SER 6 H SER 6 -7.172 -19.760 -3.044 23 HA SER 6 HA SER 6 -7.862 -17.255 -1.704 24 HB2 SER 6 1HB SER 6 -10.096 -18.091 -1.094 25 HB3 SER 6 2HB SER 6 -9.923 -17.955 -2.844 26 HG SER 6 HG SER 6 -10.565 -19.959 -2.817 27 H GLY 7 H GLY 7 -7.334 -17.280 0.393 28 HA2 GLY 7 1HA GLY 7 -7.653 -19.152 2.307 29 HA3 GLY 7 2HA GLY 7 -6.188 -19.696 1.503 30 H PHE 8 H PHE 8 -4.750 -19.323 3.130 31 HA PHE 8 HA PHE 8 -4.660 -16.682 4.366 32 HB2 PHE 8 1HB PHE 8 -2.732 -17.821 5.673 33 HB3 PHE 8 2HB PHE 8 -4.386 -18.332 5.996 34 HD1 PHE 8 HD2 PHE 8 -5.186 -20.502 5.251 35 HD2 PHE 8 HD1 PHE 8 -1.166 -19.276 4.577 36 HE1 PHE 8 HE2 PHE 8 -4.565 -22.828 4.745 37 HE2 PHE 8 HE1 PHE 8 -0.539 -21.601 4.069 38 HZ PHE 8 HZ PHE 8 -2.239 -23.380 4.154 39 H ASP 9 H ASP 9 -3.856 -15.336 2.791 40 HA ASP 9 HA ASP 9 -1.140 -15.946 1.822 41 HB2 ASP 9 1HB ASP 9 -3.353 -14.343 0.535 42 HB3 ASP 9 2HB ASP 9 -1.690 -14.332 -0.043 43 H GLU 10 H GLU 10 0.374 -14.798 2.807 44 HA GLU 10 HA GLU 10 -0.328 -12.234 4.027 45 HB2 GLU 10 1HB GLU 10 1.001 -14.216 5.147 46 HB3 GLU 10 2HB GLU 10 2.368 -13.492 4.312 47 HG2 GLU 10 1HG GLU 10 1.566 -11.296 5.421 48 HG3 GLU 10 2HG GLU 10 0.687 -12.370 6.508 49 H ASN 11 H ASN 11 -0.265 -12.117 1.286 50 HA ASN 11 HA ASN 11 1.993 -10.315 0.862 51 HB2 ASN 11 1HB ASN 11 2.714 -12.478 -0.067 52 HB3 ASN 11 2HB ASN 11 1.267 -12.529 -1.070 53 HD21 ASN 11 1HD2 ASN 11 1.475 -11.819 -3.061 54 HD22 ASN 11 2HD2 ASN 11 2.699 -10.744 -3.636 55 H TRP 12 H TRP 12 1.241 -8.444 0.145 56 HA TRP 12 HA TRP 12 -1.461 -8.148 -0.732 57 HB2 TRP 12 1HB TRP 12 0.862 -6.308 -0.331 58 HB3 TRP 12 2HB TRP 12 -0.518 -5.744 -1.269 59 HD1 TRP 12 HD1 TRP 12 -0.470 -7.802 2.026 60 HE1 TRP 12 HE1 TRP 12 -1.912 -6.554 3.754 61 HE3 TRP 12 HE3 TRP 12 -1.679 -3.683 -0.750 62 HZ2 TRP 12 HZ2 TRP 12 -3.370 -4.142 3.918 63 HZ3 TRP 12 HZ3 TRP 12 -3.102 -1.952 0.266 64 HH2 TRP 12 HH2 TRP 12 -3.929 -2.179 2.552 65 H GLY 13 H GLY 13 -1.582 -6.429 -2.749 66 HA2 GLY 13 1HA GLY 13 -0.160 -7.746 -4.979 67 HA3 GLY 13 2HA GLY 13 -1.873 -7.365 -5.066 68 H ALA 14 H ALA 14 0.322 -6.487 -6.793 69 HA ALA 14 HA ALA 14 1.317 -3.994 -6.461 70 HB1 ALA 14 3HB ALA 14 -0.010 -4.494 -9.071 71 HB2 ALA 14 1HB ALA 14 1.614 -3.902 -8.720 72 HB3 ALA 14 2HB ALA 14 1.243 -5.618 -8.547 73 H ASP 15 H ASP 15 -2.036 -4.827 -7.018 74 HA ASP 15 HA ASP 15 -2.974 -2.228 -7.625 75 HB2 ASP 15 1HB ASP 15 -4.371 -4.662 -6.506 76 HB3 ASP 15 2HB ASP 15 -5.213 -3.175 -6.936 77 H GLU 16 H GLU 16 -3.667 -4.059 -4.648 78 HA GLU 16 HA GLU 16 -4.365 -1.795 -3.143 79 HB2 GLU 16 1HB GLU 16 -4.093 -3.307 -1.167 80 HB3 GLU 16 2HB GLU 16 -5.125 -3.952 -2.436 81 HG2 GLU 16 1HG GLU 16 -2.246 -4.671 -2.475 82 HG3 GLU 16 2HG GLU 16 -3.279 -5.417 -1.257 83 H GLU 17 H GLU 17 -1.325 -2.955 -4.107 84 HA GLU 17 HA GLU 17 0.135 -1.786 -1.891 85 HB2 GLU 17 1HB GLU 17 0.887 -3.316 -4.354 86 HB3 GLU 17 2HB GLU 17 2.113 -2.389 -3.500 87 HG2 GLU 17 1HG GLU 17 1.172 -3.682 -1.417 88 HG3 GLU 17 2HG GLU 17 0.637 -4.822 -2.649 89 H LEU 18 H LEU 18 -0.741 -0.999 -5.180 90 HA LEU 18 HA LEU 18 1.042 1.259 -5.351 91 HB2 LEU 18 1HB LEU 18 0.687 0.478 -7.452 92 HB3 LEU 18 2HB LEU 18 -0.957 -0.047 -7.096 93 HG LEU 18 HG LEU 18 -1.544 2.457 -7.124 94 HD11 LEU 18 1HD1 LEU 18 -0.121 3.934 -8.264 95 HD12 LEU 18 2HD1 LEU 18 0.933 2.632 -8.814 96 HD13 LEU 18 3HD1 LEU 18 0.918 3.095 -7.112 97 HD21 LEU 18 3HD2 LEU 18 -0.742 1.642 -9.848 98 HD22 LEU 18 1HD2 LEU 18 -2.307 2.176 -9.234 99 HD23 LEU 18 2HD2 LEU 18 -1.771 0.518 -8.960 100 H LEU 19 H LEU 19 -2.443 0.766 -4.915 101 HA LEU 19 HA LEU 19 -3.196 3.464 -4.870 102 HB2 LEU 19 1HB LEU 19 -4.429 1.102 -3.462 103 HB3 LEU 19 2HB LEU 19 -5.196 2.678 -3.648 104 HG LEU 19 HG LEU 19 -4.411 0.908 -5.959 105 HD11 LEU 19 1HD1 LEU 19 -6.964 1.108 -4.398 106 HD12 LEU 19 2HD1 LEU 19 -6.062 -0.332 -4.869 107 HD13 LEU 19 3HD1 LEU 19 -6.946 0.590 -6.084 108 HD21 LEU 19 3HD2 LEU 19 -6.441 2.555 -6.756 109 HD22 LEU 19 1HD2 LEU 19 -4.726 2.832 -7.058 110 HD23 LEU 19 2HD2 LEU 19 -5.514 3.601 -5.680 111 H LEU 20 H LEU 20 -2.166 1.296 -2.268 112 HA LEU 20 HA LEU 20 -2.657 2.896 -0.071 113 HB2 LEU 20 1HB LEU 20 -1.873 0.576 0.045 114 HB3 LEU 20 2HB LEU 20 -0.287 1.087 -0.526 115 HG LEU 20 HG LEU 20 0.007 2.406 1.533 116 HD11 LEU 20 1HD1 LEU 20 -1.664 1.702 3.404 117 HD12 LEU 20 2HD1 LEU 20 -2.759 1.413 2.053 118 HD13 LEU 20 3HD1 LEU 20 -2.073 3.018 2.303 119 HD21 LEU 20 3HD2 LEU 20 -0.365 -0.524 1.491 120 HD22 LEU 20 1HD2 LEU 20 -0.226 0.228 3.080 121 HD23 LEU 20 2HD2 LEU 20 1.060 0.437 1.891 122 H ILE 21 H ILE 21 0.299 2.791 -2.054 123 HA ILE 21 HA ILE 21 1.686 4.807 -0.682 124 HB ILE 21 HB ILE 21 1.908 3.979 -3.578 125 HG12 ILE 21 1HG1 ILE 21 3.754 3.250 -1.311 126 HG13 ILE 21 2HG1 ILE 21 2.336 2.280 -1.694 127 HG21 ILE 21 1HG2 ILE 21 3.431 5.563 -3.887 128 HG22 ILE 21 2HG2 ILE 21 3.007 6.221 -2.307 129 HG23 ILE 21 3HG2 ILE 21 4.318 5.051 -2.451 130 HD11 ILE 21 3HD1 ILE 21 4.586 1.578 -2.674 131 HD12 ILE 21 1HD1 ILE 21 3.193 1.627 -3.753 132 HD13 ILE 21 2HD1 ILE 21 4.377 2.935 -3.780 133 H ASP 22 H ASP 22 0.197 5.112 -3.910 134 HA ASP 22 HA ASP 22 0.326 7.760 -4.333 135 HB2 ASP 22 1HB ASP 22 -0.963 5.832 -5.612 136 HB3 ASP 22 2HB ASP 22 -2.356 6.527 -4.789 137 H ALA 23 H ALA 23 -2.007 6.175 -2.201 138 HA ALA 23 HA ALA 23 -3.410 8.561 -1.526 139 HB1 ALA 23 3HB ALA 23 -3.705 6.674 0.555 140 HB2 ALA 23 1HB ALA 23 -4.835 7.053 -0.745 141 HB3 ALA 23 2HB ALA 23 -3.637 5.776 -0.961 142 H CYS 24 H CYS 24 -0.976 6.613 0.198 143 HA CYS 24 HA CYS 24 -0.756 8.004 2.536 144 HB2 CYS 24 1HB CYS 24 1.459 6.787 0.877 145 HB3 CYS 24 2HB CYS 24 1.661 7.326 2.539 146 HG CYS 24 HG CYS 24 -0.484 5.516 3.373 147 H GLU 25 H GLU 25 0.614 8.866 -0.599 148 HA GLU 25 HA GLU 25 1.821 11.273 0.518 149 HB2 GLU 25 1HB GLU 25 2.034 9.790 -2.054 150 HB3 GLU 25 2HB GLU 25 2.354 11.518 -2.082 151 HG2 GLU 25 1HG GLU 25 3.735 9.544 -0.281 152 HG3 GLU 25 2HG GLU 25 4.384 10.154 -1.802 153 H THR 26 H THR 26 -0.906 10.271 -1.398 154 HA THR 26 HA THR 26 -1.566 12.932 -2.290 155 HB THR 26 HB THR 26 -3.040 10.304 -2.450 156 HG1 THR 26 HG1 THR 26 -2.277 11.865 -4.654 157 HG21 THR 26 3HG2 THR 26 -3.948 13.073 -3.134 158 HG22 THR 26 1HG2 THR 26 -4.840 11.765 -2.359 159 HG23 THR 26 2HG2 THR 26 -4.505 11.700 -4.089 160 H LEU 27 H LEU 27 -3.543 10.616 -0.438 161 HA LEU 27 HA LEU 27 -5.087 12.695 0.752 162 HB2 LEU 27 1HB LEU 27 -4.880 9.791 1.534 163 HB3 LEU 27 2HB LEU 27 -6.147 10.914 2.024 164 HG LEU 27 HG LEU 27 -5.643 9.947 -0.790 165 HD11 LEU 27 1HD1 LEU 27 -6.540 8.135 0.413 166 HD12 LEU 27 2HD1 LEU 27 -7.910 8.878 -0.410 167 HD13 LEU 27 3HD1 LEU 27 -7.649 9.173 1.309 168 HD21 LEU 27 3HD2 LEU 27 -6.666 11.908 -1.249 169 HD22 LEU 27 1HD2 LEU 27 -7.353 12.055 0.368 170 HD23 LEU 27 2HD2 LEU 27 -8.115 10.997 -0.820 171 H GLY 28 H GLY 28 -2.531 10.534 1.939 172 HA2 GLY 28 1HA GLY 28 -0.875 11.475 3.461 173 HA3 GLY 28 2HA GLY 28 -2.176 12.390 4.209 174 H LEU 29 H LEU 29 -0.172 10.345 5.212 175 HA LEU 29 HA LEU 29 -1.691 8.057 5.991 176 HB2 LEU 29 1HB LEU 29 0.957 9.189 6.830 177 HB3 LEU 29 2HB LEU 29 0.258 7.787 7.637 178 HG LEU 29 HG LEU 29 0.618 7.754 4.670 179 HD11 LEU 29 1HD1 LEU 29 2.853 7.302 4.732 180 HD12 LEU 29 2HD1 LEU 29 2.809 6.740 6.402 181 HD13 LEU 29 3HD1 LEU 29 2.749 8.467 6.052 182 HD21 LEU 29 3HD2 LEU 29 0.740 5.397 4.986 183 HD22 LEU 29 1HD2 LEU 29 -0.632 5.981 5.928 184 HD23 LEU 29 2HD2 LEU 29 0.883 5.576 6.735 185 H GLY 30 H GLY 30 -1.107 11.215 7.345 186 HA2 GLY 30 1HA GLY 30 -1.591 10.973 10.003 187 HA3 GLY 30 2HA GLY 30 -2.242 12.295 9.044 188 H ASN 31 H ASN 31 -3.948 10.549 7.441 189 HA ASN 31 HA ASN 31 -5.893 9.696 9.477 190 HB2 ASN 31 1HB ASN 31 -6.290 11.982 8.216 191 HB3 ASN 31 2HB ASN 31 -6.855 10.924 6.926 192 HD21 ASN 31 1HD2 ASN 31 -8.852 12.171 7.404 193 HD22 ASN 31 2HD2 ASN 31 -9.916 11.544 8.611 194 H TRP 32 H TRP 32 -5.408 7.526 9.170 195 HA TRP 32 HA TRP 32 -5.165 6.241 6.689 196 HB2 TRP 32 1HB TRP 32 -5.983 5.176 9.397 197 HB3 TRP 32 2HB TRP 32 -5.678 4.150 7.998 198 HD1 TRP 32 HD1 TRP 32 -3.913 6.063 10.730 199 HE1 TRP 32 HE1 TRP 32 -1.379 5.645 10.566 200 HE3 TRP 32 HE3 TRP 32 -3.774 3.692 6.203 201 HZ2 TRP 32 HZ2 TRP 32 0.439 4.466 8.757 202 HZ3 TRP 32 HZ3 TRP 32 -1.597 2.951 5.327 203 HH2 TRP 32 HH2 TRP 32 0.464 3.331 6.578 204 H ALA 33 H ALA 33 -7.969 6.983 8.670 205 HA ALA 33 HA ALA 33 -9.943 5.407 7.710 206 HB1 ALA 33 3HB ALA 33 -9.811 8.083 8.806 207 HB2 ALA 33 1HB ALA 33 -11.150 7.902 7.672 208 HB3 ALA 33 2HB ALA 33 -11.014 6.818 9.057 209 H ASP 34 H ASP 34 -8.511 8.168 6.034 210 HA ASP 34 HA ASP 34 -10.288 7.999 3.790 211 HB2 ASP 34 1HB ASP 34 -8.828 10.014 4.700 212 HB3 ASP 34 2HB ASP 34 -7.634 9.351 3.588 213 H ILE 35 H ILE 35 -6.890 7.124 4.357 214 HA ILE 35 HA ILE 35 -6.255 6.174 1.834 215 HB ILE 35 HB ILE 35 -5.300 5.054 4.472 216 HG12 ILE 35 1HG1 ILE 35 -4.217 7.285 2.739 217 HG13 ILE 35 2HG1 ILE 35 -4.917 7.453 4.346 218 HG21 ILE 35 1HG2 ILE 35 -4.925 3.857 2.137 219 HG22 ILE 35 2HG2 ILE 35 -3.630 5.048 2.019 220 HG23 ILE 35 3HG2 ILE 35 -3.664 3.914 3.369 221 HD11 ILE 35 3HD1 ILE 35 -2.479 5.784 3.852 222 HD12 ILE 35 1HD1 ILE 35 -2.385 7.520 4.148 223 HD13 ILE 35 2HD1 ILE 35 -3.073 6.452 5.372 224 H ALA 36 H ALA 36 -7.916 4.545 4.486 225 HA ALA 36 HA ALA 36 -7.938 1.948 3.451 226 HB1 ALA 36 3HB ALA 36 -10.143 3.183 5.088 227 HB2 ALA 36 1HB ALA 36 -9.689 1.481 4.994 228 HB3 ALA 36 2HB ALA 36 -8.607 2.642 5.765 229 H ASP 37 H ASP 37 -10.382 4.521 3.138 230 HA ASP 37 HA ASP 37 -12.114 3.057 1.457 231 HB2 ASP 37 1HB ASP 37 -12.787 5.077 2.734 232 HB3 ASP 37 2HB ASP 37 -11.803 6.061 1.653 233 H TYR 38 H TYR 38 -9.172 4.742 0.859 234 HA TYR 38 HA TYR 38 -9.636 4.992 -1.993 235 HB2 TYR 38 1HB TYR 38 -8.341 6.694 -0.688 236 HB3 TYR 38 2HB TYR 38 -7.084 5.485 -0.448 237 HD1 TYR 38 HD1 TYR 38 -5.688 4.754 -2.319 238 HD2 TYR 38 HD2 TYR 38 -8.646 7.769 -2.829 239 HE1 TYR 38 HE1 TYR 38 -4.656 5.397 -4.457 240 HE2 TYR 38 HE2 TYR 38 -7.623 8.419 -4.969 241 HH TYR 38 HH TYR 38 -4.547 7.242 -5.968 242 H VAL 39 H VAL 39 -7.916 2.909 0.235 243 HA VAL 39 HA VAL 39 -6.577 1.465 -1.892 244 HB VAL 39 HB VAL 39 -6.689 0.944 1.081 245 HG11 VAL 39 1HG1 VAL 39 -5.108 -0.768 0.807 246 HG12 VAL 39 2HG1 VAL 39 -6.313 -1.064 -0.449 247 HG13 VAL 39 3HG1 VAL 39 -4.773 -0.309 -0.863 248 HG21 VAL 39 3HG2 VAL 39 -4.355 1.931 -0.540 249 HG22 VAL 39 1HG2 VAL 39 -5.503 3.021 0.237 250 HG23 VAL 39 2HG2 VAL 39 -4.539 1.913 1.214 251 H GLY 40 H GLY 40 -8.658 0.366 0.794 252 HA2 GLY 40 1HA GLY 40 -10.344 -1.194 0.853 253 HA3 GLY 40 2HA GLY 40 -10.531 -0.946 -0.876 254 H ASN 41 H ASN 41 -10.417 -2.810 -1.921 255 HA ASN 41 HA ASN 41 -9.819 -4.921 -2.526 256 HB2 ASN 41 1HB ASN 41 -7.075 -4.444 -1.417 257 HB3 ASN 41 2HB ASN 41 -7.549 -5.263 -2.903 258 HD21 ASN 41 1HD2 ASN 41 -6.211 -2.527 -1.665 259 HD22 ASN 41 2HD2 ASN 41 -6.464 -1.456 -2.997 260 H ALA 42 H ALA 42 -11.112 -4.879 -0.127 261 HA ALA 42 HA ALA 42 -11.605 -6.284 1.601 262 HB1 ALA 42 3HB ALA 42 -9.504 -8.151 1.672 263 HB2 ALA 42 1HB ALA 42 -11.126 -8.368 1.012 264 HB3 ALA 42 2HB ALA 42 -9.816 -7.812 -0.031 265 H ARG 43 H ARG 43 -9.761 -3.973 1.802 266 HA ARG 43 HA ARG 43 -8.373 -4.760 4.280 267 HB2 ARG 43 1HB ARG 43 -7.541 -2.494 2.470 268 HB3 ARG 43 2HB ARG 43 -6.648 -3.170 3.826 269 HG2 ARG 43 1HG ARG 43 -7.285 -4.671 1.296 270 HG3 ARG 43 2HG ARG 43 -5.766 -3.829 1.608 271 HD2 ARG 43 1HD ARG 43 -5.221 -5.283 3.395 272 HD3 ARG 43 2HD ARG 43 -6.850 -5.957 3.436 273 HE ARG 43 HE ARG 43 -5.847 -6.499 0.920 274 HH11 ARG 43 1HH1 ARG 43 -5.029 -7.260 4.216 275 HH12 ARG 43 2HH1 ARG 43 -4.306 -8.785 3.822 276 HH21 ARG 43 1HH2 ARG 43 -4.900 -8.504 0.388 277 HH22 ARG 43 2HH2 ARG 43 -4.233 -9.491 1.644 278 H THR 44 H THR 44 -7.780 -2.460 5.431 279 HA THR 44 HA THR 44 -9.832 -0.487 5.341 280 HB THR 44 HB THR 44 -11.131 -2.257 6.441 281 HG1 THR 44 HG1 THR 44 -10.372 -0.135 8.192 282 HG21 THR 44 3HG2 THR 44 -10.397 -3.509 8.165 283 HG22 THR 44 1HG2 THR 44 -9.599 -2.145 8.947 284 HG23 THR 44 2HG2 THR 44 -8.797 -2.998 7.628 285 H LYS 45 H LYS 45 -9.543 1.184 6.978 286 HA LYS 45 HA LYS 45 -7.033 2.131 7.279 287 HB2 LYS 45 1HB LYS 45 -7.827 3.516 9.103 288 HB3 LYS 45 2HB LYS 45 -9.086 3.370 7.884 289 HG2 LYS 45 1HG LYS 45 -10.029 1.493 9.330 290 HG3 LYS 45 2HG LYS 45 -8.946 2.088 10.590 291 HD2 LYS 45 1HD LYS 45 -10.056 4.127 10.752 292 HD3 LYS 45 2HD LYS 45 -10.799 3.959 9.160 293 HE2 LYS 45 1HE LYS 45 -12.273 2.241 9.973 294 HE3 LYS 45 2HE LYS 45 -11.450 2.215 11.532 295 HZ1 LYS 45 3HZ LYS 45 -12.389 4.826 10.842 296 HZ2 LYS 45 1HZ LYS 45 -12.652 3.924 12.249 297 HZ3 LYS 45 2HZ LYS 45 -13.649 3.698 10.901 298 H GLU 46 H GLU 46 -8.684 -0.009 9.582 299 HA GLU 46 HA GLU 46 -6.656 -0.116 11.507 300 HB2 GLU 46 1HB GLU 46 -8.697 -2.216 10.754 301 HB3 GLU 46 2HB GLU 46 -7.713 -2.252 12.211 302 HG2 GLU 46 1HG GLU 46 -8.740 -0.186 12.977 303 HG3 GLU 46 2HG GLU 46 -9.705 -0.110 11.504 304 H GLU 47 H GLU 47 -7.118 -1.910 8.523 305 HA GLU 47 HA GLU 47 -4.833 -3.623 9.065 306 HB2 GLU 47 1HB GLU 47 -6.852 -3.460 6.844 307 HB3 GLU 47 2HB GLU 47 -5.391 -4.422 6.668 308 HG2 GLU 47 1HG GLU 47 -7.657 -4.799 8.589 309 HG3 GLU 47 2HG GLU 47 -7.029 -5.923 7.386 310 H CYS 48 H CYS 48 -5.748 -1.585 6.281 311 HA CYS 48 HA CYS 48 -3.402 -1.419 4.960 312 HB2 CYS 48 1HB CYS 48 -5.431 0.748 5.484 313 HB3 CYS 48 2HB CYS 48 -4.063 0.991 4.405 314 HG CYS 48 HG CYS 48 -6.717 0.293 3.232 315 H ARG 49 H ARG 49 -4.183 0.187 7.975 316 HA ARG 49 HA ARG 49 -2.024 1.978 8.078 317 HB2 ARG 49 1HB ARG 49 -3.788 2.314 9.620 318 HB3 ARG 49 2HB ARG 49 -3.686 0.663 10.216 319 HG2 ARG 49 1HG ARG 49 -1.796 1.101 11.485 320 HG3 ARG 49 2HG ARG 49 -1.385 2.542 10.552 321 HD2 ARG 49 1HD ARG 49 -3.023 3.830 11.592 322 HD3 ARG 49 2HD ARG 49 -3.923 2.415 12.137 323 HE ARG 49 HE ARG 49 -1.531 2.234 13.432 324 HH11 ARG 49 1HH1 ARG 49 -4.006 4.669 13.177 325 HH12 ARG 49 2HH1 ARG 49 -3.711 5.319 14.756 326 HH21 ARG 49 1HH2 ARG 49 -1.134 3.081 15.512 327 HH22 ARG 49 2HH2 ARG 49 -2.077 4.416 16.083 328 H ASP 50 H ASP 50 -2.300 -0.921 10.123 329 HA ASP 50 HA ASP 50 0.395 -1.097 10.766 330 HB2 ASP 50 1HB ASP 50 -1.890 -3.015 10.797 331 HB3 ASP 50 2HB ASP 50 -0.265 -3.657 11.020 332 H HIS 51 H HIS 51 -1.384 -2.601 8.101 333 HA HIS 51 HA HIS 51 0.467 -4.314 7.061 334 HB2 HIS 51 1HB HIS 51 -1.611 -4.248 5.970 335 HB3 HIS 51 2HB HIS 51 -1.524 -2.508 5.715 336 HD1 HIS 51 HD1 HIS 51 0.256 -5.647 4.518 337 HD2 HIS 51 HD2 HIS 51 -0.699 -1.815 3.229 338 HE1 HIS 51 HE1 HIS 51 1.016 -5.534 2.123 339 HE2 HIS 51 HE2 HIS 51 0.505 -3.179 1.391 340 H TYR 52 H TYR 52 0.322 -0.807 6.564 341 HA TYR 52 HA TYR 52 2.653 -0.776 4.886 342 HB2 TYR 52 1HB TYR 52 0.852 0.902 4.659 343 HB3 TYR 52 2HB TYR 52 1.235 1.515 6.264 344 HD1 TYR 52 HD2 TYR 52 3.836 2.129 6.553 345 HD2 TYR 52 HD1 TYR 52 1.716 2.057 2.865 346 HE1 TYR 52 HE2 TYR 52 5.494 3.662 5.577 347 HE2 TYR 52 HE1 TYR 52 3.368 3.589 1.878 348 HH TYR 52 HH TYR 52 6.339 4.217 3.248 349 H LEU 53 H LEU 53 1.965 -0.330 8.283 350 HA LEU 53 HA LEU 53 4.553 0.744 8.921 351 HB2 LEU 53 1HB LEU 53 2.305 -0.329 10.610 352 HB3 LEU 53 2HB LEU 53 3.811 0.287 11.287 353 HG LEU 53 HG LEU 53 2.022 1.962 9.543 354 HD11 LEU 53 1HD1 LEU 53 1.731 1.207 12.379 355 HD12 LEU 53 2HD1 LEU 53 0.520 1.735 11.211 356 HD13 LEU 53 3HD1 LEU 53 1.556 2.922 12.004 357 HD21 LEU 53 3HD2 LEU 53 3.554 3.292 11.593 358 HD22 LEU 53 1HD2 LEU 53 3.539 3.557 9.849 359 HD23 LEU 53 2HD2 LEU 53 4.596 2.329 10.545 360 H LYS 54 H LYS 54 3.401 -2.325 8.202 361 HA LYS 54 HA LYS 54 5.567 -3.625 9.715 362 HB2 LYS 54 1HB LYS 54 4.331 -5.611 9.735 363 HB3 LYS 54 2HB LYS 54 3.115 -4.366 9.992 364 HG2 LYS 54 1HG LYS 54 2.319 -4.544 7.781 365 HG3 LYS 54 2HG LYS 54 3.718 -5.494 7.275 366 HD2 LYS 54 1HD LYS 54 2.050 -7.097 7.507 367 HD3 LYS 54 2HD LYS 54 2.914 -7.197 9.043 368 HE2 LYS 54 1HE LYS 54 0.596 -5.340 8.823 369 HE3 LYS 54 2HE LYS 54 0.281 -7.070 8.950 370 HZ1 LYS 54 3HZ LYS 54 1.547 -5.271 10.907 371 HZ2 LYS 54 1HZ LYS 54 1.899 -6.926 10.934 372 HZ3 LYS 54 2HZ LYS 54 0.305 -6.397 11.137 373 H THR 55 H THR 55 4.323 -2.942 6.559 374 HA THR 55 HA THR 55 6.105 -4.829 5.249 375 HB THR 55 HB THR 55 4.232 -2.781 4.048 376 HG1 THR 55 HG1 THR 55 3.139 -4.918 3.528 377 HG21 THR 55 3HG2 THR 55 4.766 -3.549 1.962 378 HG22 THR 55 1HG2 THR 55 5.224 -5.148 2.547 379 HG23 THR 55 2HG2 THR 55 6.323 -3.785 2.755 380 H TYR 56 H TYR 56 5.682 -1.315 5.503 381 HA TYR 56 HA TYR 56 8.061 -0.777 3.967 382 HB2 TYR 56 1HB TYR 56 6.218 1.014 5.556 383 HB3 TYR 56 2HB TYR 56 7.606 1.603 4.649 384 HD1 TYR 56 HD1 TYR 56 4.651 -0.622 4.067 385 HD2 TYR 56 HD2 TYR 56 7.159 2.471 2.566 386 HE1 TYR 56 HE1 TYR 56 3.261 -0.485 2.042 387 HE2 TYR 56 HE2 TYR 56 5.775 2.617 0.538 388 HH TYR 56 HH TYR 56 4.215 1.359 -0.721 389 H ILE 57 H ILE 57 7.137 0.126 7.294 390 HA ILE 57 HA ILE 57 9.774 0.702 8.112 391 HB ILE 57 HB ILE 57 7.394 -0.027 9.824 392 HG12 ILE 57 1HG1 ILE 57 7.042 1.929 8.325 393 HG13 ILE 57 2HG1 ILE 57 7.022 2.359 10.032 394 HG21 ILE 57 1HG2 ILE 57 9.568 1.718 10.818 395 HG22 ILE 57 2HG2 ILE 57 8.565 0.551 11.679 396 HG23 ILE 57 3HG2 ILE 57 9.915 -0.006 10.690 397 HD11 ILE 57 3HD1 ILE 57 8.656 3.815 9.733 398 HD12 ILE 57 1HD1 ILE 57 9.681 2.590 8.984 399 HD13 ILE 57 2HD1 ILE 57 8.543 3.512 8.000 400 H GLU 58 H GLU 58 7.705 -1.988 9.224 401 HA GLU 58 HA GLU 58 9.957 -3.460 10.201 402 HB2 GLU 58 1HB GLU 58 7.441 -3.483 10.965 403 HB3 GLU 58 2HB GLU 58 7.288 -4.726 9.731 404 HG2 GLU 58 1HG GLU 58 9.009 -4.768 12.191 405 HG3 GLU 58 2HG GLU 58 7.660 -5.828 11.787 Start of MODEL 2 1 H1 GLY 1 H GLY 1 14.208 3.376 -2.066 2 HA2 GLY 1 1HA GLY 1 11.709 3.394 -3.530 3 HA3 GLY 1 2HA GLY 1 13.026 2.246 -3.722 4 H SER 2 H SER 2 11.392 0.593 -3.810 5 HA SER 2 HA SER 2 10.331 -0.101 -1.149 6 HB2 SER 2 1HB SER 2 8.531 -1.338 -2.361 7 HB3 SER 2 2HB SER 2 8.498 0.401 -2.653 8 HG SER 2 HG SER 2 8.698 -0.041 -4.686 9 H SER 3 H SER 3 9.988 -2.482 -0.853 10 HA SER 3 HA SER 3 12.200 -3.976 -2.105 11 HB2 SER 3 1HB SER 3 11.045 -4.266 0.679 12 HB3 SER 3 2HB SER 3 12.298 -5.300 -0.008 13 HG SER 3 HG SER 3 12.441 -2.546 0.620 14 H GLY 4 H GLY 4 11.683 -5.734 -3.235 15 HA2 GLY 4 1HA GLY 4 9.016 -6.475 -3.730 16 HA3 GLY 4 2HA GLY 4 10.434 -7.410 -4.182 17 H SER 5 H SER 5 7.818 -8.293 -3.163 18 HA SER 5 HA SER 5 8.758 -10.260 -1.335 19 HB2 SER 5 1HB SER 5 8.552 -8.421 0.268 20 HB3 SER 5 2HB SER 5 6.884 -8.148 -0.238 21 HG SER 5 HG SER 5 7.480 -9.584 1.714 22 H SER 6 H SER 6 7.691 -12.020 -1.914 23 HA SER 6 HA SER 6 4.837 -11.797 -2.587 24 HB2 SER 6 1HB SER 6 5.860 -11.987 -4.719 25 HB3 SER 6 2HB SER 6 6.998 -13.209 -4.150 26 HG SER 6 HG SER 6 4.191 -13.514 -4.447 27 H GLY 7 H GLY 7 3.548 -13.334 -1.728 28 HA2 GLY 7 1HA GLY 7 4.596 -15.880 -0.858 29 HA3 GLY 7 2HA GLY 7 4.175 -14.800 0.463 30 H PHE 8 H PHE 8 2.715 -16.698 0.896 31 HA PHE 8 HA PHE 8 0.323 -16.732 -0.782 32 HB2 PHE 8 1HB PHE 8 0.885 -18.453 1.634 33 HB3 PHE 8 2HB PHE 8 -0.297 -18.739 0.361 34 HD1 PHE 8 HD2 PHE 8 1.031 -18.530 -2.096 35 HD2 PHE 8 HD1 PHE 8 2.578 -19.987 1.591 36 HE1 PHE 8 HE2 PHE 8 2.681 -19.878 -3.325 37 HE2 PHE 8 HE1 PHE 8 4.232 -21.337 0.368 38 HZ PHE 8 HZ PHE 8 4.284 -21.284 -2.094 39 H ASP 9 H ASP 9 1.404 -15.847 2.431 40 HA ASP 9 HA ASP 9 -1.309 -14.891 3.060 41 HB2 ASP 9 1HB ASP 9 0.978 -15.778 4.802 42 HB3 ASP 9 2HB ASP 9 -0.315 -14.769 5.445 43 H GLU 10 H GLU 10 -1.385 -12.876 4.390 44 HA GLU 10 HA GLU 10 -1.146 -10.583 4.150 45 HB2 GLU 10 1HB GLU 10 0.702 -9.807 5.438 46 HB3 GLU 10 2HB GLU 10 0.212 -11.348 6.127 47 HG2 GLU 10 1HG GLU 10 2.040 -12.382 4.684 48 HG3 GLU 10 2HG GLU 10 2.619 -10.733 4.453 49 H ASN 11 H ASN 11 -0.693 -11.835 1.655 50 HA ASN 11 HA ASN 11 1.586 -10.345 0.552 51 HB2 ASN 11 1HB ASN 11 1.413 -11.809 -1.392 52 HB3 ASN 11 2HB ASN 11 1.523 -12.769 0.080 53 HD21 ASN 11 1HD2 ASN 11 -0.233 -12.150 -2.727 54 HD22 ASN 11 2HD2 ASN 11 -1.606 -13.141 -2.386 55 H TRP 12 H TRP 12 0.778 -8.307 0.270 56 HA TRP 12 HA TRP 12 -1.806 -7.781 -0.813 57 HB2 TRP 12 1HB TRP 12 0.594 -6.134 -0.130 58 HB3 TRP 12 2HB TRP 12 -0.654 -5.429 -1.154 59 HD1 TRP 12 HD1 TRP 12 -1.067 -7.637 2.014 60 HE1 TRP 12 HE1 TRP 12 -2.557 -6.358 3.677 61 HE3 TRP 12 HE3 TRP 12 -1.680 -3.297 -0.618 62 HZ2 TRP 12 HZ2 TRP 12 -3.826 -3.842 3.850 63 HZ3 TRP 12 HZ3 TRP 12 -3.047 -1.504 0.366 64 HH2 TRP 12 HH2 TRP 12 -4.098 -1.773 2.554 65 H GLY 13 H GLY 13 -2.399 -7.129 -2.868 66 HA2 GLY 13 1HA GLY 13 -0.685 -8.087 -4.996 67 HA3 GLY 13 2HA GLY 13 -2.332 -7.497 -5.164 68 H ALA 14 H ALA 14 -0.032 -6.880 -6.816 69 HA ALA 14 HA ALA 14 1.290 -4.551 -6.422 70 HB1 ALA 14 3HB ALA 14 1.574 -5.808 -8.448 71 HB2 ALA 14 1HB ALA 14 -0.076 -5.446 -8.956 72 HB3 ALA 14 2HB ALA 14 1.123 -4.155 -8.868 73 H ASP 15 H ASP 15 -2.113 -4.874 -7.318 74 HA ASP 15 HA ASP 15 -2.634 -2.140 -7.745 75 HB2 ASP 15 1HB ASP 15 -4.477 -4.376 -6.879 76 HB3 ASP 15 2HB ASP 15 -5.022 -2.774 -7.368 77 H GLU 16 H GLU 16 -3.815 -4.050 -4.978 78 HA GLU 16 HA GLU 16 -4.420 -1.887 -3.346 79 HB2 GLU 16 1HB GLU 16 -4.477 -3.460 -1.503 80 HB3 GLU 16 2HB GLU 16 -5.173 -4.204 -2.935 81 HG2 GLU 16 1HG GLU 16 -3.086 -5.406 -3.330 82 HG3 GLU 16 2HG GLU 16 -2.385 -4.659 -1.896 83 H GLU 17 H GLU 17 -1.377 -3.074 -4.261 84 HA GLU 17 HA GLU 17 0.019 -2.079 -1.919 85 HB2 GLU 17 1HB GLU 17 0.877 -3.443 -4.456 86 HB3 GLU 17 2HB GLU 17 2.058 -2.681 -3.400 87 HG2 GLU 17 1HG GLU 17 1.000 -4.106 -1.540 88 HG3 GLU 17 2HG GLU 17 0.302 -5.040 -2.862 89 H LEU 18 H LEU 18 -0.643 -1.112 -5.218 90 HA LEU 18 HA LEU 18 1.210 1.078 -5.218 91 HB2 LEU 18 1HB LEU 18 0.837 0.449 -7.365 92 HB3 LEU 18 2HB LEU 18 -0.832 -0.023 -7.051 93 HG LEU 18 HG LEU 18 -1.321 2.492 -6.940 94 HD11 LEU 18 1HD1 LEU 18 0.369 3.653 -8.580 95 HD12 LEU 18 2HD1 LEU 18 1.489 2.461 -7.920 96 HD13 LEU 18 3HD1 LEU 18 0.679 3.600 -6.844 97 HD21 LEU 18 3HD2 LEU 18 -0.488 1.838 -9.696 98 HD22 LEU 18 1HD2 LEU 18 -2.050 2.372 -9.075 99 HD23 LEU 18 2HD2 LEU 18 -1.566 0.684 -8.908 100 H LEU 19 H LEU 19 -2.336 0.819 -5.022 101 HA LEU 19 HA LEU 19 -3.017 3.467 -4.825 102 HB2 LEU 19 1HB LEU 19 -4.162 1.024 -3.516 103 HB3 LEU 19 2HB LEU 19 -4.869 2.617 -3.256 104 HG LEU 19 HG LEU 19 -5.873 1.050 -5.058 105 HD11 LEU 19 1HD1 LEU 19 -5.732 3.838 -4.739 106 HD12 LEU 19 2HD1 LEU 19 -6.960 2.905 -5.593 107 HD13 LEU 19 3HD1 LEU 19 -5.557 3.522 -6.466 108 HD21 LEU 19 3HD2 LEU 19 -4.836 1.491 -7.303 109 HD22 LEU 19 1HD2 LEU 19 -3.909 0.428 -6.244 110 HD23 LEU 19 2HD2 LEU 19 -3.422 2.111 -6.450 111 H LEU 20 H LEU 20 -2.143 1.316 -2.123 112 HA LEU 20 HA LEU 20 -2.407 2.936 0.026 113 HB2 LEU 20 1HB LEU 20 -1.524 0.610 0.028 114 HB3 LEU 20 2HB LEU 20 0.035 1.246 -0.492 115 HG LEU 20 HG LEU 20 0.290 2.433 1.601 116 HD11 LEU 20 1HD1 LEU 20 -2.433 1.332 2.275 117 HD12 LEU 20 2HD1 LEU 20 -2.005 3.027 2.042 118 HD13 LEU 20 3HD1 LEU 20 -1.354 2.134 3.416 119 HD21 LEU 20 3HD2 LEU 20 0.169 -0.389 1.322 120 HD22 LEU 20 1HD2 LEU 20 -0.405 0.029 2.937 121 HD23 LEU 20 2HD2 LEU 20 1.186 0.570 2.400 122 H ILE 21 H ILE 21 0.436 2.894 -2.117 123 HA ILE 21 HA ILE 21 1.845 4.953 -0.833 124 HB ILE 21 HB ILE 21 1.930 4.138 -3.740 125 HG12 ILE 21 1HG1 ILE 21 3.856 3.391 -1.542 126 HG13 ILE 21 2HG1 ILE 21 2.459 2.400 -1.945 127 HG21 ILE 21 1HG2 ILE 21 3.090 6.364 -2.468 128 HG22 ILE 21 2HG2 ILE 21 4.389 5.206 -2.749 129 HG23 ILE 21 3HG2 ILE 21 3.398 5.763 -4.097 130 HD11 ILE 21 3HD1 ILE 21 4.870 2.007 -2.993 131 HD12 ILE 21 1HD1 ILE 21 3.379 1.648 -3.863 132 HD13 ILE 21 2HD1 ILE 21 4.241 3.155 -4.174 133 H ASP 22 H ASP 22 0.120 5.182 -3.950 134 HA ASP 22 HA ASP 22 0.173 7.839 -4.401 135 HB2 ASP 22 1HB ASP 22 -1.104 5.903 -5.633 136 HB3 ASP 22 2HB ASP 22 -2.478 6.475 -4.692 137 H ALA 23 H ALA 23 -2.010 6.202 -2.147 138 HA ALA 23 HA ALA 23 -3.415 8.565 -1.395 139 HB1 ALA 23 3HB ALA 23 -4.771 6.944 -0.696 140 HB2 ALA 23 1HB ALA 23 -3.474 5.749 -0.718 141 HB3 ALA 23 2HB ALA 23 -3.704 6.775 0.698 142 H CYS 24 H CYS 24 -0.734 6.733 0.026 143 HA CYS 24 HA CYS 24 -0.453 8.058 2.429 144 HB2 CYS 24 1HB CYS 24 0.938 6.208 2.174 145 HB3 CYS 24 2HB CYS 24 1.506 6.727 0.591 146 HG CYS 24 HG CYS 24 3.658 7.854 1.414 147 H GLU 25 H GLU 25 0.699 9.012 -0.768 148 HA GLU 25 HA GLU 25 1.881 11.446 0.318 149 HB2 GLU 25 1HB GLU 25 1.990 10.025 -2.302 150 HB3 GLU 25 2HB GLU 25 2.292 11.756 -2.284 151 HG2 GLU 25 1HG GLU 25 4.133 11.483 -0.777 152 HG3 GLU 25 2HG GLU 25 3.771 9.769 -0.579 153 H THR 26 H THR 26 -0.895 10.373 -1.495 154 HA THR 26 HA THR 26 -1.698 13.000 -2.335 155 HB THR 26 HB THR 26 -3.118 10.338 -2.352 156 HG1 THR 26 HG1 THR 26 -2.877 10.730 -4.663 157 HG21 THR 26 3HG2 THR 26 -4.933 11.363 -3.554 158 HG22 THR 26 1HG2 THR 26 -4.127 12.931 -3.521 159 HG23 THR 26 2HG2 THR 26 -4.725 12.216 -2.024 160 H LEU 27 H LEU 27 -3.484 10.667 -0.319 161 HA LEU 27 HA LEU 27 -4.978 12.737 0.956 162 HB2 LEU 27 1HB LEU 27 -4.692 9.847 1.760 163 HB3 LEU 27 2HB LEU 27 -5.953 10.961 2.283 164 HG LEU 27 HG LEU 27 -5.561 9.970 -0.541 165 HD11 LEU 27 1HD1 LEU 27 -6.888 8.243 -0.087 166 HD12 LEU 27 2HD1 LEU 27 -8.022 9.250 0.811 167 HD13 LEU 27 3HD1 LEU 27 -6.599 8.592 1.618 168 HD21 LEU 27 3HD2 LEU 27 -7.845 11.535 0.651 169 HD22 LEU 27 1HD2 LEU 27 -7.639 11.057 -1.034 170 HD23 LEU 27 2HD2 LEU 27 -6.550 12.244 -0.314 171 H GLY 28 H GLY 28 -2.310 10.625 1.961 172 HA2 GLY 28 1HA GLY 28 -0.569 11.468 3.388 173 HA3 GLY 28 2HA GLY 28 -1.751 12.535 4.131 174 H LEU 29 H LEU 29 0.007 9.769 4.559 175 HA LEU 29 HA LEU 29 -1.568 7.885 5.735 176 HB2 LEU 29 1HB LEU 29 1.127 8.888 6.625 177 HB3 LEU 29 2HB LEU 29 0.365 7.435 7.268 178 HG LEU 29 HG LEU 29 1.094 7.833 4.368 179 HD11 LEU 29 1HD1 LEU 29 3.016 7.747 6.049 180 HD12 LEU 29 2HD1 LEU 29 3.043 6.591 4.718 181 HD13 LEU 29 3HD1 LEU 29 2.534 6.073 6.325 182 HD21 LEU 29 3HD2 LEU 29 0.811 5.127 5.377 183 HD22 LEU 29 1HD2 LEU 29 0.092 5.887 3.957 184 HD23 LEU 29 2HD2 LEU 29 -0.677 6.061 5.535 185 H GLY 30 H GLY 30 -0.940 11.081 6.880 186 HA2 GLY 30 1HA GLY 30 -1.285 10.998 9.578 187 HA3 GLY 30 2HA GLY 30 -1.981 12.259 8.570 188 H ASN 31 H ASN 31 -3.791 10.527 7.148 189 HA ASN 31 HA ASN 31 -5.624 9.746 9.316 190 HB2 ASN 31 1HB ASN 31 -6.064 11.977 7.956 191 HB3 ASN 31 2HB ASN 31 -6.724 10.856 6.770 192 HD21 ASN 31 1HD2 ASN 31 -8.576 9.697 7.252 193 HD22 ASN 31 2HD2 ASN 31 -9.603 10.108 8.580 194 H TRP 32 H TRP 32 -5.391 7.565 9.145 195 HA TRP 32 HA TRP 32 -5.201 6.158 6.695 196 HB2 TRP 32 1HB TRP 32 -5.933 5.224 9.476 197 HB3 TRP 32 2HB TRP 32 -5.669 4.141 8.112 198 HD1 TRP 32 HD1 TRP 32 -3.835 6.076 10.760 199 HE1 TRP 32 HE1 TRP 32 -1.304 5.670 10.529 200 HE3 TRP 32 HE3 TRP 32 -3.802 3.711 6.228 201 HZ2 TRP 32 HZ2 TRP 32 0.472 4.503 8.671 202 HZ3 TRP 32 HZ3 TRP 32 -1.646 2.982 5.293 203 HH2 TRP 32 HH2 TRP 32 0.446 3.371 6.491 204 H ALA 33 H ALA 33 -7.901 6.851 8.874 205 HA ALA 33 HA ALA 33 -9.918 5.314 7.966 206 HB1 ALA 33 3HB ALA 33 -10.078 8.273 8.523 207 HB2 ALA 33 1HB ALA 33 -11.462 7.184 8.424 208 HB3 ALA 33 2HB ALA 33 -10.257 6.966 9.694 209 H ASP 34 H ASP 34 -8.529 8.071 6.273 210 HA ASP 34 HA ASP 34 -10.456 7.981 4.137 211 HB2 ASP 34 1HB ASP 34 -8.024 9.589 4.763 212 HB3 ASP 34 2HB ASP 34 -8.551 9.511 3.084 213 H ILE 35 H ILE 35 -7.039 7.090 4.517 214 HA ILE 35 HA ILE 35 -6.531 6.227 1.928 215 HB ILE 35 HB ILE 35 -5.423 5.076 4.491 216 HG12 ILE 35 1HG1 ILE 35 -4.029 7.057 2.719 217 HG13 ILE 35 2HG1 ILE 35 -5.197 7.615 3.913 218 HG21 ILE 35 1HG2 ILE 35 -5.172 4.057 1.949 219 HG22 ILE 35 2HG2 ILE 35 -3.721 5.041 2.130 220 HG23 ILE 35 3HG2 ILE 35 -4.070 3.764 3.294 221 HD11 ILE 35 3HD1 ILE 35 -2.461 6.766 4.257 222 HD12 ILE 35 1HD1 ILE 35 -3.519 7.649 5.357 223 HD13 ILE 35 2HD1 ILE 35 -3.558 5.886 5.321 224 H ALA 36 H ALA 36 -8.089 4.549 4.600 225 HA ALA 36 HA ALA 36 -8.113 1.952 3.645 226 HB1 ALA 36 3HB ALA 36 -10.444 3.217 5.065 227 HB2 ALA 36 1HB ALA 36 -9.919 1.534 5.114 228 HB3 ALA 36 2HB ALA 36 -8.940 2.786 5.880 229 H ASP 37 H ASP 37 -10.521 4.510 3.058 230 HA ASP 37 HA ASP 37 -12.083 2.930 1.280 231 HB2 ASP 37 1HB ASP 37 -12.653 5.134 2.634 232 HB3 ASP 37 2HB ASP 37 -12.132 5.912 1.142 233 H TYR 38 H TYR 38 -9.183 4.703 0.931 234 HA TYR 38 HA TYR 38 -9.460 5.144 -1.913 235 HB2 TYR 38 1HB TYR 38 -8.157 6.634 -0.300 236 HB3 TYR 38 2HB TYR 38 -6.922 5.380 -0.301 237 HD1 TYR 38 HD1 TYR 38 -5.788 4.792 -2.470 238 HD2 TYR 38 HD2 TYR 38 -8.312 8.193 -2.068 239 HE1 TYR 38 HE1 TYR 38 -4.806 5.754 -4.509 240 HE2 TYR 38 HE2 TYR 38 -7.337 9.164 -4.107 241 HH TYR 38 HH TYR 38 -5.745 8.973 -5.658 242 H VAL 39 H VAL 39 -7.864 2.868 0.237 243 HA VAL 39 HA VAL 39 -6.538 1.513 -1.962 244 HB VAL 39 HB VAL 39 -6.659 0.819 0.976 245 HG11 VAL 39 1HG1 VAL 39 -4.695 -0.278 -1.006 246 HG12 VAL 39 2HG1 VAL 39 -5.107 -0.882 0.600 247 HG13 VAL 39 3HG1 VAL 39 -6.252 -1.059 -0.730 248 HG21 VAL 39 3HG2 VAL 39 -5.484 2.955 0.315 249 HG22 VAL 39 1HG2 VAL 39 -4.498 1.771 1.174 250 HG23 VAL 39 2HG2 VAL 39 -4.339 1.950 -0.573 251 H GLY 40 H GLY 40 -8.516 0.209 0.702 252 HA2 GLY 40 1HA GLY 40 -10.312 -1.240 0.661 253 HA3 GLY 40 2HA GLY 40 -10.422 -0.983 -1.074 254 H ASN 41 H ASN 41 -10.291 -2.844 -2.122 255 HA ASN 41 HA ASN 41 -9.729 -4.983 -2.676 256 HB2 ASN 41 1HB ASN 41 -6.985 -4.453 -1.574 257 HB3 ASN 41 2HB ASN 41 -7.445 -5.361 -3.012 258 HD21 ASN 41 1HD2 ASN 41 -6.150 -2.539 -1.926 259 HD22 ASN 41 2HD2 ASN 41 -6.412 -1.550 -3.318 260 H ALA 42 H ALA 42 -11.003 -4.873 -0.251 261 HA ALA 42 HA ALA 42 -11.508 -6.280 1.476 262 HB1 ALA 42 3HB ALA 42 -10.988 -8.377 0.984 263 HB2 ALA 42 1HB ALA 42 -9.744 -7.822 -0.136 264 HB3 ALA 42 2HB ALA 42 -9.344 -8.102 1.559 265 H ARG 43 H ARG 43 -9.645 -3.956 1.625 266 HA ARG 43 HA ARG 43 -8.300 -4.679 4.146 267 HB2 ARG 43 1HB ARG 43 -7.442 -2.483 2.258 268 HB3 ARG 43 2HB ARG 43 -6.579 -3.071 3.673 269 HG2 ARG 43 1HG ARG 43 -7.103 -4.649 1.163 270 HG3 ARG 43 2HG ARG 43 -5.579 -3.871 1.596 271 HD2 ARG 43 1HD ARG 43 -5.235 -5.330 3.414 272 HD3 ARG 43 2HD ARG 43 -6.901 -5.905 3.368 273 HE ARG 43 HE ARG 43 -5.367 -6.455 0.986 274 HH11 ARG 43 1HH1 ARG 43 -6.348 -7.589 4.128 275 HH12 ARG 43 2HH1 ARG 43 -6.066 -9.258 3.758 276 HH21 ARG 43 1HH2 ARG 43 -4.992 -8.649 0.486 277 HH22 ARG 43 2HH2 ARG 43 -5.295 -9.860 1.686 278 H THR 44 H THR 44 -7.814 -2.527 5.419 279 HA THR 44 HA THR 44 -9.782 -0.459 5.196 280 HB THR 44 HB THR 44 -11.163 -2.235 6.213 281 HG1 THR 44 HG1 THR 44 -12.016 -0.878 7.722 282 HG21 THR 44 3HG2 THR 44 -9.319 -2.041 8.592 283 HG22 THR 44 1HG2 THR 44 -9.249 -3.345 7.407 284 HG23 THR 44 2HG2 THR 44 -10.700 -3.118 8.385 285 H LYS 45 H LYS 45 -9.590 1.141 6.964 286 HA LYS 45 HA LYS 45 -7.107 2.105 7.369 287 HB2 LYS 45 1HB LYS 45 -7.977 3.224 9.433 288 HB3 LYS 45 2HB LYS 45 -9.012 3.402 8.022 289 HG2 LYS 45 1HG LYS 45 -10.223 1.309 9.005 290 HG3 LYS 45 2HG LYS 45 -9.450 1.818 10.508 291 HD2 LYS 45 1HD LYS 45 -10.522 3.948 10.426 292 HD3 LYS 45 2HD LYS 45 -11.111 3.653 8.788 293 HE2 LYS 45 1HE LYS 45 -12.443 1.746 9.695 294 HE3 LYS 45 2HE LYS 45 -11.954 2.240 11.315 295 HZ1 LYS 45 3HZ LYS 45 -13.978 3.333 9.620 296 HZ2 LYS 45 1HZ LYS 45 -12.913 4.525 10.176 297 HZ3 LYS 45 2HZ LYS 45 -13.736 3.544 11.281 298 H GLU 46 H GLU 46 -8.753 -0.178 9.538 299 HA GLU 46 HA GLU 46 -6.818 -0.378 11.511 300 HB2 GLU 46 1HB GLU 46 -8.654 -2.528 10.442 301 HB3 GLU 46 2HB GLU 46 -7.744 -2.648 11.941 302 HG2 GLU 46 1HG GLU 46 -9.839 -0.573 11.341 303 HG3 GLU 46 2HG GLU 46 -10.084 -2.027 12.307 304 H GLU 47 H GLU 47 -7.058 -2.097 8.429 305 HA GLU 47 HA GLU 47 -4.604 -3.558 8.947 306 HB2 GLU 47 1HB GLU 47 -6.423 -3.493 6.534 307 HB3 GLU 47 2HB GLU 47 -5.008 -4.524 6.688 308 HG2 GLU 47 1HG GLU 47 -6.191 -5.323 8.874 309 HG3 GLU 47 2HG GLU 47 -7.632 -4.688 8.082 310 H CYS 48 H CYS 48 -5.707 -1.506 6.243 311 HA CYS 48 HA CYS 48 -3.439 -1.059 4.892 312 HB2 CYS 48 1HB CYS 48 -5.550 0.951 5.668 313 HB3 CYS 48 2HB CYS 48 -4.253 1.334 4.543 314 HG CYS 48 HG CYS 48 -5.370 0.349 2.453 315 H ARG 49 H ARG 49 -4.199 0.280 8.045 316 HA ARG 49 HA ARG 49 -2.061 2.126 8.181 317 HB2 ARG 49 1HB ARG 49 -3.929 2.334 9.690 318 HB3 ARG 49 2HB ARG 49 -3.633 0.731 10.350 319 HG2 ARG 49 1HG ARG 49 -1.355 1.655 11.069 320 HG3 ARG 49 2HG ARG 49 -2.055 3.244 10.752 321 HD2 ARG 49 1HD ARG 49 -2.542 2.990 12.982 322 HD3 ARG 49 2HD ARG 49 -4.008 2.347 12.244 323 HE ARG 49 HE ARG 49 -3.437 0.241 12.989 324 HH11 ARG 49 1HH1 ARG 49 -0.778 2.438 13.462 325 HH12 ARG 49 2HH1 ARG 49 0.123 1.339 14.453 326 HH21 ARG 49 1HH2 ARG 49 -2.261 -1.214 14.293 327 HH22 ARG 49 2HH2 ARG 49 -0.721 -0.738 14.925 328 H ASP 50 H ASP 50 -2.367 -0.859 10.102 329 HA ASP 50 HA ASP 50 0.325 -1.042 10.787 330 HB2 ASP 50 1HB ASP 50 -1.281 -2.324 12.013 331 HB3 ASP 50 2HB ASP 50 -1.804 -3.171 10.559 332 H HIS 51 H HIS 51 -1.427 -2.708 8.174 333 HA HIS 51 HA HIS 51 0.439 -4.303 7.078 334 HB2 HIS 51 1HB HIS 51 -1.670 -4.175 6.004 335 HB3 HIS 51 2HB HIS 51 -1.493 -2.451 5.692 336 HD1 HIS 51 HD1 HIS 51 0.263 -5.673 4.668 337 HD2 HIS 51 HD2 HIS 51 -0.718 -1.928 3.158 338 HE1 HIS 51 HE1 HIS 51 1.031 -5.691 2.273 339 HE2 HIS 51 HE2 HIS 51 0.504 -3.386 1.406 340 H TYR 52 H TYR 52 0.312 -0.787 6.684 341 HA TYR 52 HA TYR 52 2.603 -0.684 4.973 342 HB2 TYR 52 1HB TYR 52 0.860 1.049 4.907 343 HB3 TYR 52 2HB TYR 52 1.260 1.517 6.556 344 HD1 TYR 52 HD2 TYR 52 3.853 2.089 6.894 345 HD2 TYR 52 HD1 TYR 52 1.755 2.309 3.198 346 HE1 TYR 52 HE2 TYR 52 5.532 3.672 6.042 347 HE2 TYR 52 HE1 TYR 52 3.429 3.891 2.336 348 HH TYR 52 HH TYR 52 5.391 5.620 4.068 349 H LEU 53 H LEU 53 2.016 -0.079 8.412 350 HA LEU 53 HA LEU 53 4.654 0.753 9.022 351 HB2 LEU 53 1HB LEU 53 2.432 -0.355 10.720 352 HB3 LEU 53 2HB LEU 53 3.976 0.175 11.385 353 HG LEU 53 HG LEU 53 2.294 2.044 9.755 354 HD11 LEU 53 1HD1 LEU 53 0.820 1.150 11.480 355 HD12 LEU 53 2HD1 LEU 53 1.242 2.830 11.810 356 HD13 LEU 53 3HD1 LEU 53 2.021 1.532 12.714 357 HD21 LEU 53 3HD2 LEU 53 4.638 2.191 11.543 358 HD22 LEU 53 1HD2 LEU 53 3.463 3.499 11.685 359 HD23 LEU 53 2HD2 LEU 53 4.222 3.160 10.129 360 H LYS 54 H LYS 54 3.384 -2.267 8.233 361 HA LYS 54 HA LYS 54 5.601 -3.670 9.569 362 HB2 LYS 54 1HB LYS 54 4.320 -5.626 9.591 363 HB3 LYS 54 2HB LYS 54 3.151 -4.365 9.959 364 HG2 LYS 54 1HG LYS 54 2.334 -4.396 7.694 365 HG3 LYS 54 2HG LYS 54 3.583 -5.552 7.226 366 HD2 LYS 54 1HD LYS 54 1.777 -6.275 9.475 367 HD3 LYS 54 2HD LYS 54 1.124 -6.324 7.836 368 HE2 LYS 54 1HE LYS 54 3.721 -7.656 8.532 369 HE3 LYS 54 2HE LYS 54 2.176 -8.464 8.791 370 HZ1 LYS 54 3HZ LYS 54 3.626 -8.347 6.444 371 HZ2 LYS 54 1HZ LYS 54 2.283 -7.348 6.192 372 HZ3 LYS 54 2HZ LYS 54 2.063 -8.962 6.649 373 H THR 55 H THR 55 4.091 -2.977 6.502 374 HA THR 55 HA THR 55 5.760 -4.816 5.026 375 HB THR 55 HB THR 55 3.882 -2.653 4.058 376 HG1 THR 55 HG1 THR 55 3.616 -5.488 4.228 377 HG21 THR 55 3HG2 THR 55 5.850 -3.438 2.542 378 HG22 THR 55 1HG2 THR 55 4.220 -3.356 1.874 379 HG23 THR 55 2HG2 THR 55 4.893 -4.909 2.370 380 H TYR 56 H TYR 56 5.511 -1.295 5.413 381 HA TYR 56 HA TYR 56 7.774 -0.764 3.740 382 HB2 TYR 56 1HB TYR 56 6.163 0.945 5.632 383 HB3 TYR 56 2HB TYR 56 7.552 1.566 4.747 384 HD1 TYR 56 HD1 TYR 56 4.510 -0.474 3.963 385 HD2 TYR 56 HD2 TYR 56 7.032 2.771 2.861 386 HE1 TYR 56 HE1 TYR 56 3.064 -0.015 2.028 387 HE2 TYR 56 HE2 TYR 56 5.592 3.239 0.923 388 HH TYR 56 HH TYR 56 2.709 2.469 0.544 389 H ILE 57 H ILE 57 7.264 -0.136 7.216 390 HA ILE 57 HA ILE 57 9.966 0.287 7.821 391 HB ILE 57 HB ILE 57 7.790 -0.708 9.666 392 HG12 ILE 57 1HG1 ILE 57 7.120 1.376 8.659 393 HG13 ILE 57 2HG1 ILE 57 7.638 1.707 10.309 394 HG21 ILE 57 1HG2 ILE 57 10.227 0.833 10.484 395 HG22 ILE 57 2HG2 ILE 57 9.137 -0.133 11.478 396 HG23 ILE 57 3HG2 ILE 57 10.252 -0.927 10.366 397 HD11 ILE 57 3HD1 ILE 57 8.867 3.329 9.423 398 HD12 ILE 57 1HD1 ILE 57 9.942 2.051 8.859 399 HD13 ILE 57 2HD1 ILE 57 8.692 2.687 7.790 400 H GLU 58 H GLU 58 7.995 -2.584 8.618 401 HA GLU 58 HA GLU 58 10.435 -4.142 8.955 402 HB2 GLU 58 1HB GLU 58 7.567 -4.509 9.697 403 HB3 GLU 58 2HB GLU 58 8.571 -5.940 9.510 404 HG2 GLU 58 1HG GLU 58 9.240 -3.630 11.316 405 HG3 GLU 58 2HG GLU 58 8.413 -5.096 11.837 Start of MODEL 3 1 H1 GLY 1 H GLY 1 4.517 -29.499 1.754 2 HA2 GLY 1 1HA GLY 1 4.159 -30.774 4.115 3 HA3 GLY 1 2HA GLY 1 5.487 -29.679 4.470 4 H SER 2 H SER 2 3.436 -29.242 5.995 5 HA SER 2 HA SER 2 1.270 -27.765 5.116 6 HB2 SER 2 1HB SER 2 1.491 -28.579 7.422 7 HB3 SER 2 2HB SER 2 2.796 -27.429 7.710 8 HG SER 2 HG SER 2 0.177 -27.039 7.936 9 H SER 3 H SER 3 4.397 -26.513 6.277 10 HA SER 3 HA SER 3 3.942 -23.814 5.929 11 HB2 SER 3 1HB SER 3 6.441 -25.478 5.731 12 HB3 SER 3 2HB SER 3 6.491 -23.737 5.458 13 HG SER 3 HG SER 3 6.828 -24.620 7.700 14 H GLY 4 H GLY 4 5.068 -26.182 3.542 15 HA2 GLY 4 1HA GLY 4 5.497 -24.345 1.439 16 HA3 GLY 4 2HA GLY 4 5.239 -26.074 1.255 17 H SER 5 H SER 5 2.702 -26.418 2.180 18 HA SER 5 HA SER 5 1.123 -25.751 -0.002 19 HB2 SER 5 1HB SER 5 -0.716 -26.648 1.198 20 HB3 SER 5 2HB SER 5 0.695 -27.529 1.785 21 HG SER 5 HG SER 5 -0.870 -26.626 3.388 22 H SER 6 H SER 6 -0.905 -24.440 0.041 23 HA SER 6 HA SER 6 -0.268 -21.764 0.975 24 HB2 SER 6 1HB SER 6 -2.203 -22.933 -0.979 25 HB3 SER 6 2HB SER 6 -2.565 -21.353 -0.285 26 HG SER 6 HG SER 6 -0.721 -20.539 -1.162 27 H GLY 7 H GLY 7 -1.745 -20.458 2.178 28 HA2 GLY 7 1HA GLY 7 -4.141 -21.357 3.314 29 HA3 GLY 7 2HA GLY 7 -2.840 -21.750 4.429 30 H PHE 8 H PHE 8 -1.309 -19.852 4.863 31 HA PHE 8 HA PHE 8 -2.840 -17.343 5.014 32 HB2 PHE 8 1HB PHE 8 -1.241 -18.675 7.203 33 HB3 PHE 8 2HB PHE 8 -1.745 -16.989 7.269 34 HD1 PHE 8 HD2 PHE 8 -4.090 -16.401 7.537 35 HD2 PHE 8 HD1 PHE 8 -2.817 -20.462 7.496 36 HE1 PHE 8 HE2 PHE 8 -6.256 -17.085 8.483 37 HE2 PHE 8 HE1 PHE 8 -4.981 -21.153 8.441 38 HZ PHE 8 HZ PHE 8 -6.703 -19.464 8.937 39 H ASP 9 H ASP 9 -1.658 -16.590 3.206 40 HA ASP 9 HA ASP 9 1.197 -16.080 3.717 41 HB2 ASP 9 1HB ASP 9 0.468 -17.412 1.644 42 HB3 ASP 9 2HB ASP 9 -0.139 -15.879 1.025 43 H GLU 10 H GLU 10 1.200 -14.161 4.778 44 HA GLU 10 HA GLU 10 -0.546 -12.005 4.181 45 HB2 GLU 10 1HB GLU 10 0.967 -10.680 5.639 46 HB3 GLU 10 2HB GLU 10 0.430 -12.182 6.378 47 HG2 GLU 10 1HG GLU 10 2.649 -13.146 5.473 48 HG3 GLU 10 2HG GLU 10 3.131 -11.456 5.330 49 H ASN 11 H ASN 11 -0.275 -11.889 1.858 50 HA ASN 11 HA ASN 11 1.979 -10.155 1.135 51 HB2 ASN 11 1HB ASN 11 2.155 -12.681 0.402 52 HB3 ASN 11 2HB ASN 11 1.025 -12.179 -0.852 53 HD21 ASN 11 1HD2 ASN 11 1.744 -9.911 -1.785 54 HD22 ASN 11 2HD2 ASN 11 3.390 -9.867 -2.307 55 H TRP 12 H TRP 12 1.422 -8.426 -0.053 56 HA TRP 12 HA TRP 12 -1.395 -8.117 -0.743 57 HB2 TRP 12 1HB TRP 12 0.906 -6.232 -0.375 58 HB3 TRP 12 2HB TRP 12 -0.501 -5.715 -1.300 59 HD1 TRP 12 HD1 TRP 12 -0.417 -7.752 2.002 60 HE1 TRP 12 HE1 TRP 12 -1.836 -6.494 3.742 61 HE3 TRP 12 HE3 TRP 12 -1.616 -3.622 -0.762 62 HZ2 TRP 12 HZ2 TRP 12 -3.274 -4.071 3.920 63 HZ3 TRP 12 HZ3 TRP 12 -3.018 -1.881 0.267 64 HH2 TRP 12 HH2 TRP 12 -3.829 -2.103 2.559 65 H GLY 13 H GLY 13 -1.480 -6.433 -2.799 66 HA2 GLY 13 1HA GLY 13 -0.016 -7.800 -4.972 67 HA3 GLY 13 2HA GLY 13 -1.725 -7.412 -5.102 68 H ALA 14 H ALA 14 0.160 -6.563 -6.974 69 HA ALA 14 HA ALA 14 1.308 -4.085 -6.657 70 HB1 ALA 14 3HB ALA 14 1.847 -4.826 -8.710 71 HB2 ALA 14 1HB ALA 14 0.300 -5.642 -8.936 72 HB3 ALA 14 2HB ALA 14 0.430 -3.905 -9.213 73 H ASP 15 H ASP 15 -2.069 -4.885 -7.064 74 HA ASP 15 HA ASP 15 -2.998 -2.285 -7.693 75 HB2 ASP 15 1HB ASP 15 -4.269 -4.806 -6.703 76 HB3 ASP 15 2HB ASP 15 -5.194 -3.307 -6.658 77 H GLU 16 H GLU 16 -3.608 -4.055 -4.662 78 HA GLU 16 HA GLU 16 -4.234 -1.765 -3.171 79 HB2 GLU 16 1HB GLU 16 -3.866 -3.247 -1.179 80 HB3 GLU 16 2HB GLU 16 -4.969 -3.897 -2.383 81 HG2 GLU 16 1HG GLU 16 -2.101 -4.647 -2.550 82 HG3 GLU 16 2HG GLU 16 -3.091 -5.374 -1.285 83 H GLU 17 H GLU 17 -1.235 -2.944 -4.235 84 HA GLU 17 HA GLU 17 0.323 -1.766 -2.099 85 HB2 GLU 17 1HB GLU 17 1.003 -3.201 -4.651 86 HB3 GLU 17 2HB GLU 17 2.241 -2.357 -3.731 87 HG2 GLU 17 1HG GLU 17 0.477 -4.340 -2.371 88 HG3 GLU 17 2HG GLU 17 1.833 -4.891 -3.351 89 H LEU 18 H LEU 18 -0.636 -0.992 -5.384 90 HA LEU 18 HA LEU 18 1.100 1.271 -5.635 91 HB2 LEU 18 1HB LEU 18 0.567 0.540 -7.711 92 HB3 LEU 18 2HB LEU 18 -1.041 0.005 -7.227 93 HG LEU 18 HG LEU 18 -1.632 2.508 -7.167 94 HD11 LEU 18 1HD1 LEU 18 1.117 2.591 -8.087 95 HD12 LEU 18 2HD1 LEU 18 0.075 3.892 -7.512 96 HD13 LEU 18 3HD1 LEU 18 0.011 3.394 -9.202 97 HD21 LEU 18 3HD2 LEU 18 -1.064 1.755 -9.963 98 HD22 LEU 18 1HD2 LEU 18 -2.577 2.246 -9.200 99 HD23 LEU 18 2HD2 LEU 18 -1.993 0.592 -9.015 100 H LEU 19 H LEU 19 -2.317 0.802 -4.846 101 HA LEU 19 HA LEU 19 -3.024 3.524 -4.727 102 HB2 LEU 19 1HB LEU 19 -4.192 1.161 -3.265 103 HB3 LEU 19 2HB LEU 19 -4.940 2.752 -3.375 104 HG LEU 19 HG LEU 19 -4.300 1.264 -5.883 105 HD11 LEU 19 1HD1 LEU 19 -6.801 0.810 -4.268 106 HD12 LEU 19 2HD1 LEU 19 -5.458 -0.329 -4.364 107 HD13 LEU 19 3HD1 LEU 19 -6.376 0.077 -5.815 108 HD21 LEU 19 3HD2 LEU 19 -6.582 3.081 -5.121 109 HD22 LEU 19 1HD2 LEU 19 -6.181 2.495 -6.736 110 HD23 LEU 19 2HD2 LEU 19 -5.095 3.613 -5.910 111 H LEU 20 H LEU 20 -2.302 1.260 -2.064 112 HA LEU 20 HA LEU 20 -2.452 2.783 0.124 113 HB2 LEU 20 1HB LEU 20 -1.614 0.477 0.097 114 HB3 LEU 20 2HB LEU 20 -0.076 1.051 -0.546 115 HG LEU 20 HG LEU 20 0.323 2.284 1.540 116 HD11 LEU 20 1HD1 LEU 20 -1.821 2.814 2.336 117 HD12 LEU 20 2HD1 LEU 20 -1.176 1.651 3.494 118 HD13 LEU 20 3HD1 LEU 20 -2.349 1.132 2.284 119 HD21 LEU 20 3HD2 LEU 20 0.099 -0.612 1.304 120 HD22 LEU 20 1HD2 LEU 20 0.060 -0.043 2.973 121 HD23 LEU 20 2HD2 LEU 20 1.419 0.378 1.930 122 H ILE 21 H ILE 21 0.405 2.791 -2.005 123 HA ILE 21 HA ILE 21 1.735 4.880 -0.638 124 HB ILE 21 HB ILE 21 2.060 3.938 -3.489 125 HG12 ILE 21 1HG1 ILE 21 3.871 3.346 -1.158 126 HG13 ILE 21 2HG1 ILE 21 2.476 2.333 -1.512 127 HG21 ILE 21 1HG2 ILE 21 3.046 6.266 -2.312 128 HG22 ILE 21 2HG2 ILE 21 4.396 5.133 -2.298 129 HG23 ILE 21 3HG2 ILE 21 3.587 5.521 -3.816 130 HD11 ILE 21 3HD1 ILE 21 4.563 1.446 -2.443 131 HD12 ILE 21 1HD1 ILE 21 3.370 1.808 -3.690 132 HD13 ILE 21 2HD1 ILE 21 4.728 2.902 -3.424 133 H ASP 22 H ASP 22 -0.040 4.886 -3.731 134 HA ASP 22 HA ASP 22 0.121 7.524 -4.407 135 HB2 ASP 22 1HB ASP 22 -1.954 5.430 -4.803 136 HB3 ASP 22 2HB ASP 22 -2.411 7.094 -5.160 137 H ALA 23 H ALA 23 -2.053 6.070 -2.033 138 HA ALA 23 HA ALA 23 -3.420 8.528 -1.467 139 HB1 ALA 23 3HB ALA 23 -4.003 6.978 0.661 140 HB2 ALA 23 1HB ALA 23 -4.836 6.874 -0.890 141 HB3 ALA 23 2HB ALA 23 -3.534 5.746 -0.510 142 H CYS 24 H CYS 24 -0.824 6.668 0.050 143 HA CYS 24 HA CYS 24 -0.550 8.005 2.441 144 HB2 CYS 24 1HB CYS 24 0.848 6.163 2.223 145 HB3 CYS 24 2HB CYS 24 1.404 6.645 0.625 146 HG CYS 24 HG CYS 24 2.295 8.816 2.988 147 H GLU 25 H GLU 25 0.681 8.933 -0.740 148 HA GLU 25 HA GLU 25 1.822 11.381 0.356 149 HB2 GLU 25 1HB GLU 25 2.022 9.923 -2.235 150 HB3 GLU 25 2HB GLU 25 2.299 11.659 -2.245 151 HG2 GLU 25 1HG GLU 25 3.750 9.767 -0.418 152 HG3 GLU 25 2HG GLU 25 4.345 10.234 -2.010 153 H THR 26 H THR 26 -0.878 10.286 -1.567 154 HA THR 26 HA THR 26 -1.665 12.894 -2.457 155 HB THR 26 HB THR 26 -3.109 10.243 -2.441 156 HG1 THR 26 HG1 THR 26 -1.861 11.830 -4.449 157 HG21 THR 26 3HG2 THR 26 -4.813 11.309 -3.846 158 HG22 THR 26 1HG2 THR 26 -4.027 12.871 -3.617 159 HG23 THR 26 2HG2 THR 26 -4.757 12.040 -2.242 160 H LEU 27 H LEU 27 -3.500 10.609 -0.430 161 HA LEU 27 HA LEU 27 -5.027 12.706 0.758 162 HB2 LEU 27 1HB LEU 27 -4.750 9.843 1.655 163 HB3 LEU 27 2HB LEU 27 -6.033 10.966 2.102 164 HG LEU 27 HG LEU 27 -5.548 9.868 -0.668 165 HD11 LEU 27 1HD1 LEU 27 -7.721 8.704 -0.233 166 HD12 LEU 27 2HD1 LEU 27 -7.560 9.168 1.460 167 HD13 LEU 27 3HD1 LEU 27 -6.359 8.111 0.718 168 HD21 LEU 27 3HD2 LEU 27 -6.620 11.800 -1.175 169 HD22 LEU 27 1HD2 LEU 27 -7.331 11.959 0.431 170 HD23 LEU 27 2HD2 LEU 27 -8.035 10.841 -0.737 171 H GLY 28 H GLY 28 -2.329 10.682 1.834 172 HA2 GLY 28 1HA GLY 28 -0.640 11.555 3.289 173 HA3 GLY 28 2HA GLY 28 -1.843 12.633 3.980 174 H LEU 29 H LEU 29 -0.095 9.858 4.482 175 HA LEU 29 HA LEU 29 -1.689 8.015 5.693 176 HB2 LEU 29 1HB LEU 29 1.001 9.024 6.595 177 HB3 LEU 29 2HB LEU 29 0.226 7.583 7.248 178 HG LEU 29 HG LEU 29 1.008 7.944 4.357 179 HD11 LEU 29 1HD1 LEU 29 2.865 7.819 6.156 180 HD12 LEU 29 2HD1 LEU 29 2.957 6.761 4.748 181 HD13 LEU 29 3HD1 LEU 29 2.386 6.127 6.291 182 HD21 LEU 29 3HD2 LEU 29 0.649 5.497 4.277 183 HD22 LEU 29 1HD2 LEU 29 -0.825 6.402 4.623 184 HD23 LEU 29 2HD2 LEU 29 0.021 5.564 5.924 185 H GLY 30 H GLY 30 -1.026 11.230 6.785 186 HA2 GLY 30 1HA GLY 30 -1.380 11.255 9.461 187 HA3 GLY 30 2HA GLY 30 -2.133 12.448 8.413 188 H ASN 31 H ASN 31 -3.850 10.471 7.101 189 HA ASN 31 HA ASN 31 -5.620 9.704 9.316 190 HB2 ASN 31 1HB ASN 31 -6.294 11.913 8.248 191 HB3 ASN 31 2HB ASN 31 -6.649 10.994 6.788 192 HD21 ASN 31 1HD2 ASN 31 -7.734 11.947 9.867 193 HD22 ASN 31 2HD2 ASN 31 -9.230 11.084 9.866 194 H TRP 32 H TRP 32 -5.370 7.534 9.119 195 HA TRP 32 HA TRP 32 -5.188 6.155 6.652 196 HB2 TRP 32 1HB TRP 32 -5.783 5.238 9.465 197 HB3 TRP 32 2HB TRP 32 -5.686 4.122 8.106 198 HD1 TRP 32 HD1 TRP 32 -3.542 6.055 10.523 199 HE1 TRP 32 HE1 TRP 32 -1.062 5.521 10.088 200 HE3 TRP 32 HE3 TRP 32 -4.017 3.528 6.104 201 HZ2 TRP 32 HZ2 TRP 32 0.488 4.203 8.132 202 HZ3 TRP 32 HZ3 TRP 32 -1.987 2.663 5.016 203 HH2 TRP 32 HH2 TRP 32 0.218 2.995 6.010 204 H ALA 33 H ALA 33 -7.870 6.953 8.782 205 HA ALA 33 HA ALA 33 -9.879 5.329 7.924 206 HB1 ALA 33 3HB ALA 33 -11.336 6.804 8.867 207 HB2 ALA 33 1HB ALA 33 -9.831 7.421 9.548 208 HB3 ALA 33 2HB ALA 33 -10.554 8.211 8.146 209 H ASP 34 H ASP 34 -8.752 8.286 6.315 210 HA ASP 34 HA ASP 34 -10.624 8.092 4.168 211 HB2 ASP 34 1HB ASP 34 -8.064 9.680 4.441 212 HB3 ASP 34 2HB ASP 34 -9.206 9.851 3.110 213 H ILE 35 H ILE 35 -7.292 7.075 4.665 214 HA ILE 35 HA ILE 35 -6.680 6.385 2.013 215 HB ILE 35 HB ILE 35 -5.628 5.196 4.581 216 HG12 ILE 35 1HG1 ILE 35 -4.361 7.254 2.767 217 HG13 ILE 35 2HG1 ILE 35 -5.304 7.672 4.194 218 HG21 ILE 35 1HG2 ILE 35 -5.159 3.638 2.858 219 HG22 ILE 35 2HG2 ILE 35 -4.695 4.916 1.735 220 HG23 ILE 35 3HG2 ILE 35 -3.674 4.552 3.126 221 HD11 ILE 35 3HD1 ILE 35 -3.260 5.735 4.816 222 HD12 ILE 35 1HD1 ILE 35 -2.581 7.183 4.073 223 HD13 ILE 35 2HD1 ILE 35 -3.572 7.318 5.527 224 H ALA 36 H ALA 36 -8.112 4.500 4.648 225 HA ALA 36 HA ALA 36 -8.157 1.984 3.555 226 HB1 ALA 36 3HB ALA 36 -10.480 3.173 5.057 227 HB2 ALA 36 1HB ALA 36 -9.985 1.481 4.990 228 HB3 ALA 36 2HB ALA 36 -8.978 2.663 5.827 229 H ASP 37 H ASP 37 -10.562 4.559 3.059 230 HA ASP 37 HA ASP 37 -12.182 3.063 1.280 231 HB2 ASP 37 1HB ASP 37 -12.685 5.265 2.612 232 HB3 ASP 37 2HB ASP 37 -12.046 6.055 1.173 233 H TYR 38 H TYR 38 -9.180 4.626 0.896 234 HA TYR 38 HA TYR 38 -9.475 4.984 -1.977 235 HB2 TYR 38 1HB TYR 38 -8.217 6.600 -0.465 236 HB3 TYR 38 2HB TYR 38 -6.963 5.371 -0.350 237 HD1 TYR 38 HD1 TYR 38 -5.595 4.803 -2.297 238 HD2 TYR 38 HD2 TYR 38 -8.540 7.867 -2.494 239 HE1 TYR 38 HE1 TYR 38 -4.585 5.631 -4.381 240 HE2 TYR 38 HE2 TYR 38 -7.539 8.703 -4.579 241 HH TYR 38 HH TYR 38 -5.058 8.551 -5.619 242 H VAL 39 H VAL 39 -7.894 2.851 0.316 243 HA VAL 39 HA VAL 39 -6.492 1.406 -1.776 244 HB VAL 39 HB VAL 39 -6.688 0.865 1.191 245 HG11 VAL 39 1HG1 VAL 39 -4.630 -0.565 0.662 246 HG12 VAL 39 2HG1 VAL 39 -6.213 -1.213 0.228 247 HG13 VAL 39 3HG1 VAL 39 -5.178 -0.503 -1.012 248 HG21 VAL 39 3HG2 VAL 39 -5.488 2.881 0.867 249 HG22 VAL 39 1HG2 VAL 39 -4.278 1.622 1.116 250 HG23 VAL 39 2HG2 VAL 39 -4.607 2.220 -0.510 251 H GLY 40 H GLY 40 -8.613 0.287 0.870 252 HA2 GLY 40 1HA GLY 40 -10.318 -1.255 0.885 253 HA3 GLY 40 2HA GLY 40 -10.466 -1.001 -0.848 254 H ASN 41 H ASN 41 -10.337 -2.864 -1.894 255 HA ASN 41 HA ASN 41 -9.724 -4.970 -2.501 256 HB2 ASN 41 1HB ASN 41 -7.019 -4.505 -1.291 257 HB3 ASN 41 2HB ASN 41 -7.440 -5.336 -2.785 258 HD21 ASN 41 1HD2 ASN 41 -6.221 -2.546 -1.479 259 HD22 ASN 41 2HD2 ASN 41 -6.393 -1.504 -2.846 260 H ALA 42 H ALA 42 -11.067 -4.870 -0.094 261 HA ALA 42 HA ALA 42 -11.642 -6.299 1.592 262 HB1 ALA 42 3HB ALA 42 -10.269 -7.922 -0.082 263 HB2 ALA 42 1HB ALA 42 -9.291 -8.051 1.380 264 HB3 ALA 42 2HB ALA 42 -11.008 -8.451 1.430 265 H ARG 43 H ARG 43 -9.723 -4.026 1.828 266 HA ARG 43 HA ARG 43 -8.463 -4.832 4.368 267 HB2 ARG 43 1HB ARG 43 -7.467 -2.607 2.594 268 HB3 ARG 43 2HB ARG 43 -6.648 -3.350 3.961 269 HG2 ARG 43 1HG ARG 43 -7.315 -4.834 1.433 270 HG3 ARG 43 2HG ARG 43 -5.785 -3.995 1.699 271 HD2 ARG 43 1HD ARG 43 -5.314 -5.393 3.618 272 HD3 ARG 43 2HD ARG 43 -6.887 -6.176 3.466 273 HE ARG 43 HE ARG 43 -5.272 -6.410 1.107 274 HH11 ARG 43 1HH1 ARG 43 -5.948 -7.764 4.242 275 HH12 ARG 43 2HH1 ARG 43 -5.369 -9.344 3.829 276 HH21 ARG 43 1HH2 ARG 43 -4.507 -8.485 0.551 277 HH22 ARG 43 2HH2 ARG 43 -4.549 -9.753 1.729 278 H THR 44 H THR 44 -7.815 -2.519 5.490 279 HA THR 44 HA THR 44 -9.804 -0.489 5.300 280 HB THR 44 HB THR 44 -11.174 -2.200 6.413 281 HG1 THR 44 HG1 THR 44 -11.571 -0.043 6.980 282 HG21 THR 44 3HG2 THR 44 -9.321 -2.005 8.773 283 HG22 THR 44 1HG2 THR 44 -9.153 -3.269 7.556 284 HG23 THR 44 2HG2 THR 44 -10.637 -3.147 8.501 285 H LYS 45 H LYS 45 -9.513 1.205 6.922 286 HA LYS 45 HA LYS 45 -7.045 2.173 7.241 287 HB2 LYS 45 1HB LYS 45 -7.815 3.374 9.267 288 HB3 LYS 45 2HB LYS 45 -8.985 3.428 7.955 289 HG2 LYS 45 1HG LYS 45 -9.970 1.324 9.188 290 HG3 LYS 45 2HG LYS 45 -9.127 2.025 10.571 291 HD2 LYS 45 1HD LYS 45 -10.469 3.886 10.618 292 HD3 LYS 45 2HD LYS 45 -10.831 3.801 8.893 293 HE2 LYS 45 1HE LYS 45 -12.839 3.159 9.831 294 HE3 LYS 45 2HE LYS 45 -12.065 1.603 9.538 295 HZ1 LYS 45 3HZ LYS 45 -12.582 2.974 12.072 296 HZ2 LYS 45 1HZ LYS 45 -11.197 2.008 11.964 297 HZ3 LYS 45 2HZ LYS 45 -12.722 1.333 11.684 298 H GLU 46 H GLU 46 -8.585 0.059 9.663 299 HA GLU 46 HA GLU 46 -6.475 -0.117 11.450 300 HB2 GLU 46 1HB GLU 46 -8.741 -1.934 10.740 301 HB3 GLU 46 2HB GLU 46 -7.484 -2.524 11.818 302 HG2 GLU 46 1HG GLU 46 -9.183 -1.686 13.202 303 HG3 GLU 46 2HG GLU 46 -7.900 -0.477 13.229 304 H GLU 47 H GLU 47 -7.093 -2.006 8.525 305 HA GLU 47 HA GLU 47 -4.746 -3.641 8.909 306 HB2 GLU 47 1HB GLU 47 -6.919 -3.463 6.873 307 HB3 GLU 47 2HB GLU 47 -5.407 -4.231 6.408 308 HG2 GLU 47 1HG GLU 47 -5.702 -5.636 8.535 309 HG3 GLU 47 2HG GLU 47 -7.371 -5.068 8.503 310 H CYS 48 H CYS 48 -5.734 -1.534 6.205 311 HA CYS 48 HA CYS 48 -3.391 -1.313 4.866 312 HB2 CYS 48 1HB CYS 48 -5.499 0.772 5.401 313 HB3 CYS 48 2HB CYS 48 -4.125 1.096 4.351 314 HG CYS 48 HG CYS 48 -5.566 -1.740 3.479 315 H ARG 49 H ARG 49 -4.202 0.216 7.908 316 HA ARG 49 HA ARG 49 -2.093 2.076 8.016 317 HB2 ARG 49 1HB ARG 49 -3.866 2.362 9.557 318 HB3 ARG 49 2HB ARG 49 -3.729 0.710 10.142 319 HG2 ARG 49 1HG ARG 49 -1.586 1.245 11.177 320 HG3 ARG 49 2HG ARG 49 -1.710 2.901 10.578 321 HD2 ARG 49 1HD ARG 49 -2.532 3.194 12.687 322 HD3 ARG 49 2HD ARG 49 -4.028 2.806 11.838 323 HE ARG 49 HE ARG 49 -4.132 0.809 12.976 324 HH11 ARG 49 1HH1 ARG 49 -1.015 2.284 13.459 325 HH12 ARG 49 2HH1 ARG 49 -0.543 1.183 14.711 326 HH21 ARG 49 1HH2 ARG 49 -3.521 -0.647 14.622 327 HH22 ARG 49 2HH2 ARG 49 -1.969 -0.484 15.371 328 H ASP 50 H ASP 50 -2.303 -0.840 10.046 329 HA ASP 50 HA ASP 50 0.405 -0.950 10.676 330 HB2 ASP 50 1HB ASP 50 -1.414 -2.202 11.843 331 HB3 ASP 50 2HB ASP 50 -1.475 -3.311 10.476 332 H HIS 51 H HIS 51 -1.373 -2.613 8.092 333 HA HIS 51 HA HIS 51 0.451 -4.284 7.025 334 HB2 HIS 51 1HB HIS 51 -1.582 -4.187 5.881 335 HB3 HIS 51 2HB HIS 51 -1.506 -2.437 5.696 336 HD1 HIS 51 HD1 HIS 51 0.588 -5.390 4.492 337 HD2 HIS 51 HD2 HIS 51 -0.939 -1.766 3.150 338 HE1 HIS 51 HE1 HIS 51 1.300 -5.209 2.087 339 HE2 HIS 51 HE2 HIS 51 0.438 -2.970 1.322 340 H TYR 52 H TYR 52 0.455 -0.769 6.674 341 HA TYR 52 HA TYR 52 2.763 -0.761 4.958 342 HB2 TYR 52 1HB TYR 52 0.984 0.995 4.886 343 HB3 TYR 52 2HB TYR 52 1.528 1.553 6.464 344 HD1 TYR 52 HD2 TYR 52 4.208 1.950 6.527 345 HD2 TYR 52 HD1 TYR 52 1.740 2.186 3.070 346 HE1 TYR 52 HE2 TYR 52 5.873 3.401 5.444 347 HE2 TYR 52 HE1 TYR 52 3.399 3.636 1.977 348 HH TYR 52 HH TYR 52 5.924 4.033 2.195 349 H LEU 53 H LEU 53 2.110 -0.043 8.363 350 HA LEU 53 HA LEU 53 4.785 0.710 8.982 351 HB2 LEU 53 1HB LEU 53 2.524 -0.200 10.756 352 HB3 LEU 53 2HB LEU 53 4.051 0.461 11.337 353 HG LEU 53 HG LEU 53 2.254 2.037 9.520 354 HD11 LEU 53 1HD1 LEU 53 0.759 1.643 11.245 355 HD12 LEU 53 2HD1 LEU 53 1.550 3.136 11.750 356 HD13 LEU 53 3HD1 LEU 53 2.026 1.599 12.471 357 HD21 LEU 53 3HD2 LEU 53 4.689 2.504 11.110 358 HD22 LEU 53 1HD2 LEU 53 3.472 3.778 11.180 359 HD23 LEU 53 2HD2 LEU 53 4.133 3.276 9.624 360 H LYS 54 H LYS 54 3.372 -2.261 8.322 361 HA LYS 54 HA LYS 54 5.432 -3.713 9.844 362 HB2 LYS 54 1HB LYS 54 4.023 -5.549 9.987 363 HB3 LYS 54 2HB LYS 54 2.892 -4.209 10.116 364 HG2 LYS 54 1HG LYS 54 2.296 -4.448 7.781 365 HG3 LYS 54 2HG LYS 54 3.486 -5.738 7.590 366 HD2 LYS 54 1HD LYS 54 1.421 -6.030 9.712 367 HD3 LYS 54 2HD LYS 54 0.927 -6.256 8.033 368 HE2 LYS 54 1HE LYS 54 3.336 -7.651 9.151 369 HE3 LYS 54 2HE LYS 54 1.716 -8.310 9.373 370 HZ1 LYS 54 3HZ LYS 54 2.822 -7.617 6.712 371 HZ2 LYS 54 1HZ LYS 54 1.436 -8.525 7.053 372 HZ3 LYS 54 2HZ LYS 54 2.967 -9.158 7.395 373 H THR 55 H THR 55 4.133 -3.074 6.681 374 HA THR 55 HA THR 55 5.765 -5.105 5.403 375 HB THR 55 HB THR 55 3.954 -2.987 4.230 376 HG1 THR 55 HG1 THR 55 2.825 -5.091 3.676 377 HG21 THR 55 3HG2 THR 55 4.659 -5.243 2.528 378 HG22 THR 55 1HG2 THR 55 6.051 -4.246 2.947 379 HG23 THR 55 2HG2 THR 55 4.647 -3.517 2.167 380 H TYR 56 H TYR 56 5.690 -1.595 5.747 381 HA TYR 56 HA TYR 56 8.009 -1.239 4.056 382 HB2 TYR 56 1HB TYR 56 6.416 0.693 5.747 383 HB3 TYR 56 2HB TYR 56 7.793 1.163 4.757 384 HD1 TYR 56 HD1 TYR 56 4.700 -0.895 4.284 385 HD2 TYR 56 HD2 TYR 56 7.226 2.178 2.775 386 HE1 TYR 56 HE1 TYR 56 3.209 -0.629 2.346 387 HE2 TYR 56 HE2 TYR 56 5.742 2.454 0.834 388 HH TYR 56 HH TYR 56 3.374 2.013 0.249 389 H ILE 57 H ILE 57 7.320 -0.309 7.432 390 HA ILE 57 HA ILE 57 10.012 0.075 8.142 391 HB ILE 57 HB ILE 57 7.699 -0.615 9.958 392 HG12 ILE 57 1HG1 ILE 57 7.254 1.376 8.593 393 HG13 ILE 57 2HG1 ILE 57 7.497 1.812 10.281 394 HG21 ILE 57 1HG2 ILE 57 9.166 0.753 11.582 395 HG22 ILE 57 2HG2 ILE 57 9.599 -0.925 11.256 396 HG23 ILE 57 3HG2 ILE 57 10.476 0.383 10.462 397 HD11 ILE 57 3HD1 ILE 57 8.705 3.425 9.185 398 HD12 ILE 57 1HD1 ILE 57 9.949 2.227 9.542 399 HD13 ILE 57 2HD1 ILE 57 9.248 2.316 7.926 400 H GLU 58 H GLU 58 7.855 -2.573 9.187 401 HA GLU 58 HA GLU 58 10.138 -4.195 9.912 402 HB2 GLU 58 1HB GLU 58 7.748 -4.022 11.040 403 HB3 GLU 58 2HB GLU 58 7.358 -5.280 9.875 404 HG2 GLU 58 1HG GLU 58 9.576 -6.350 10.845 405 HG3 GLU 58 2HG GLU 58 9.138 -5.367 12.241 Start of MODEL 4 1 H1 GLY 1 H GLY 1 5.705 -14.166 19.951 2 HA2 GLY 1 1HA GLY 1 8.052 -14.564 18.671 3 HA3 GLY 1 2HA GLY 1 7.984 -15.936 19.766 4 H SER 2 H SER 2 8.104 -16.827 17.402 5 HA SER 2 HA SER 2 7.087 -18.178 15.875 6 HB2 SER 2 1HB SER 2 5.693 -18.795 17.947 7 HB3 SER 2 2HB SER 2 4.459 -17.725 17.282 8 HG SER 2 HG SER 2 5.602 -19.729 15.675 9 H SER 3 H SER 3 7.431 -15.489 15.273 10 HA SER 3 HA SER 3 5.061 -14.309 14.219 11 HB2 SER 3 1HB SER 3 6.887 -12.860 14.794 12 HB3 SER 3 2HB SER 3 7.994 -13.743 13.742 13 HG SER 3 HG SER 3 7.261 -11.832 12.748 14 H GLY 4 H GLY 4 7.859 -15.893 12.672 15 HA2 GLY 4 1HA GLY 4 7.813 -17.323 10.826 16 HA3 GLY 4 2HA GLY 4 6.112 -16.943 10.602 17 H SER 5 H SER 5 6.282 -14.147 10.485 18 HA SER 5 HA SER 5 7.091 -13.825 7.761 19 HB2 SER 5 1HB SER 5 5.116 -12.679 8.853 20 HB3 SER 5 2HB SER 5 6.274 -11.637 9.681 21 HG SER 5 HG SER 5 6.669 -10.612 7.865 22 H SER 6 H SER 6 9.166 -13.662 7.228 23 HA SER 6 HA SER 6 11.081 -12.464 9.051 24 HB2 SER 6 1HB SER 6 11.382 -13.836 6.375 25 HB3 SER 6 2HB SER 6 12.736 -13.131 7.257 26 HG SER 6 HG SER 6 12.738 -14.795 8.534 27 H GLY 7 H GLY 7 10.334 -12.025 5.584 28 HA2 GLY 7 1HA GLY 7 10.158 -9.188 5.819 29 HA3 GLY 7 2HA GLY 7 11.718 -9.673 5.171 30 H PHE 8 H PHE 8 11.702 -11.023 3.218 31 HA PHE 8 HA PHE 8 10.045 -9.907 1.226 32 HB2 PHE 8 1HB PHE 8 11.152 -11.383 -0.309 33 HB3 PHE 8 2HB PHE 8 12.347 -10.845 0.866 34 HD1 PHE 8 HD2 PHE 8 13.059 -12.388 2.685 35 HD2 PHE 8 HD1 PHE 8 10.609 -13.663 -0.554 36 HE1 PHE 8 HE2 PHE 8 13.619 -14.730 3.188 37 HE2 PHE 8 HE1 PHE 8 11.165 -16.008 -0.055 38 HZ PHE 8 HZ PHE 8 12.672 -16.544 1.817 39 H ASP 9 H ASP 9 7.893 -10.239 1.432 40 HA ASP 9 HA ASP 9 6.968 -13.021 1.233 41 HB2 ASP 9 1HB ASP 9 5.810 -10.874 3.022 42 HB3 ASP 9 2HB ASP 9 5.030 -12.419 2.692 43 H GLU 10 H GLU 10 6.243 -9.597 0.748 44 HA GLU 10 HA GLU 10 4.829 -8.516 -0.681 45 HB2 GLU 10 1HB GLU 10 6.572 -9.749 -2.173 46 HB3 GLU 10 2HB GLU 10 5.218 -10.783 -2.607 47 HG2 GLU 10 1HG GLU 10 4.073 -9.062 -3.657 48 HG3 GLU 10 2HG GLU 10 4.993 -7.811 -2.823 49 H ASN 11 H ASN 11 3.435 -10.002 1.161 50 HA ASN 11 HA ASN 11 1.584 -11.840 0.193 51 HB2 ASN 11 1HB ASN 11 0.120 -10.824 2.117 52 HB3 ASN 11 2HB ASN 11 1.601 -11.693 2.506 53 HD21 ASN 11 1HD2 ASN 11 1.546 -10.522 4.505 54 HD22 ASN 11 2HD2 ASN 11 2.152 -8.906 4.574 55 H TRP 12 H TRP 12 1.252 -8.310 0.515 56 HA TRP 12 HA TRP 12 -1.333 -8.152 -0.591 57 HB2 TRP 12 1HB TRP 12 0.881 -6.196 -0.118 58 HB3 TRP 12 2HB TRP 12 -0.489 -5.710 -1.112 59 HD1 TRP 12 HD1 TRP 12 -0.550 -7.790 2.161 60 HE1 TRP 12 HE1 TRP 12 -2.082 -6.581 3.838 61 HE3 TRP 12 HE3 TRP 12 -1.650 -3.630 -0.599 62 HZ2 TRP 12 HZ2 TRP 12 -3.562 -4.181 3.973 63 HZ3 TRP 12 HZ3 TRP 12 -3.132 -1.926 0.376 64 HH2 TRP 12 HH2 TRP 12 -4.068 -2.197 2.615 65 H GLY 13 H GLY 13 -1.449 -6.458 -2.630 66 HA2 GLY 13 1HA GLY 13 0.106 -7.750 -4.786 67 HA3 GLY 13 2HA GLY 13 -1.608 -7.397 -4.948 68 H ALA 14 H ALA 14 0.522 -6.495 -6.660 69 HA ALA 14 HA ALA 14 1.509 -3.982 -6.290 70 HB1 ALA 14 3HB ALA 14 2.198 -4.708 -8.306 71 HB2 ALA 14 1HB ALA 14 0.682 -5.544 -8.641 72 HB3 ALA 14 2HB ALA 14 0.803 -3.802 -8.892 73 H ASP 15 H ASP 15 -1.809 -4.878 -6.968 74 HA ASP 15 HA ASP 15 -2.765 -2.292 -7.609 75 HB2 ASP 15 1HB ASP 15 -4.203 -4.717 -6.513 76 HB3 ASP 15 2HB ASP 15 -5.010 -3.259 -7.085 77 H GLU 16 H GLU 16 -3.553 -4.148 -4.671 78 HA GLU 16 HA GLU 16 -4.359 -1.908 -3.188 79 HB2 GLU 16 1HB GLU 16 -4.134 -3.416 -1.208 80 HB3 GLU 16 2HB GLU 16 -5.085 -4.094 -2.522 81 HG2 GLU 16 1HG GLU 16 -2.186 -4.721 -2.426 82 HG3 GLU 16 2HG GLU 16 -3.251 -5.501 -1.258 83 H GLU 17 H GLU 17 -1.255 -2.982 -4.038 84 HA GLU 17 HA GLU 17 0.088 -1.788 -1.763 85 HB2 GLU 17 1HB GLU 17 0.997 -3.246 -4.223 86 HB3 GLU 17 2HB GLU 17 2.149 -2.337 -3.255 87 HG2 GLU 17 1HG GLU 17 1.213 -3.696 -1.275 88 HG3 GLU 17 2HG GLU 17 0.575 -4.769 -2.519 89 H LEU 18 H LEU 18 -0.548 -1.060 -5.142 90 HA LEU 18 HA LEU 18 1.133 1.260 -5.209 91 HB2 LEU 18 1HB LEU 18 0.868 0.414 -7.313 92 HB3 LEU 18 2HB LEU 18 -0.812 -0.040 -7.036 93 HG LEU 18 HG LEU 18 -1.240 2.524 -7.080 94 HD11 LEU 18 1HD1 LEU 18 1.550 2.292 -8.038 95 HD12 LEU 18 2HD1 LEU 18 0.742 3.615 -7.197 96 HD13 LEU 18 3HD1 LEU 18 0.481 3.379 -8.925 97 HD21 LEU 18 3HD2 LEU 18 -2.046 2.230 -9.170 98 HD22 LEU 18 1HD2 LEU 18 -1.616 0.548 -8.858 99 HD23 LEU 18 2HD2 LEU 18 -0.525 1.579 -9.784 100 H LEU 19 H LEU 19 -2.359 0.696 -4.935 101 HA LEU 19 HA LEU 19 -3.181 3.367 -4.922 102 HB2 LEU 19 1HB LEU 19 -4.403 1.008 -3.497 103 HB3 LEU 19 2HB LEU 19 -5.204 2.550 -3.789 104 HG LEU 19 HG LEU 19 -4.214 0.839 -6.051 105 HD11 LEU 19 1HD1 LEU 19 -6.489 0.370 -4.268 106 HD12 LEU 19 2HD1 LEU 19 -5.675 -0.723 -5.386 107 HD13 LEU 19 3HD1 LEU 19 -6.897 0.399 -5.984 108 HD21 LEU 19 3HD2 LEU 19 -4.902 3.301 -6.281 109 HD22 LEU 19 1HD2 LEU 19 -6.546 2.724 -6.009 110 HD23 LEU 19 2HD2 LEU 19 -5.621 2.132 -7.389 111 H LEU 20 H LEU 20 -2.195 1.250 -2.259 112 HA LEU 20 HA LEU 20 -2.790 2.872 -0.103 113 HB2 LEU 20 1HB LEU 20 -2.025 0.616 0.196 114 HB3 LEU 20 2HB LEU 20 -0.462 1.006 -0.518 115 HG LEU 20 HG LEU 20 0.031 2.454 1.418 116 HD11 LEU 20 1HD1 LEU 20 -1.957 1.405 3.204 117 HD12 LEU 20 2HD1 LEU 20 -2.725 2.260 1.867 118 HD13 LEU 20 3HD1 LEU 20 -1.526 3.082 2.866 119 HD21 LEU 20 3HD2 LEU 20 -0.496 -0.457 1.659 120 HD22 LEU 20 1HD2 LEU 20 -0.097 0.433 3.128 121 HD23 LEU 20 2HD2 LEU 20 1.023 0.434 1.766 122 H ILE 21 H ILE 21 0.232 2.787 -1.984 123 HA ILE 21 HA ILE 21 1.559 4.824 -0.596 124 HB ILE 21 HB ILE 21 1.847 4.027 -3.494 125 HG12 ILE 21 1HG1 ILE 21 3.751 3.270 -1.314 126 HG13 ILE 21 2HG1 ILE 21 2.250 2.367 -1.487 127 HG21 ILE 21 1HG2 ILE 21 3.387 5.607 -3.739 128 HG22 ILE 21 2HG2 ILE 21 2.912 6.249 -2.167 129 HG23 ILE 21 3HG2 ILE 21 4.227 5.080 -2.281 130 HD11 ILE 21 3HD1 ILE 21 3.735 2.745 -3.980 131 HD12 ILE 21 1HD1 ILE 21 4.568 1.785 -2.758 132 HD13 ILE 21 2HD1 ILE 21 2.966 1.303 -3.317 133 H ASP 22 H ASP 22 0.054 5.095 -3.821 134 HA ASP 22 HA ASP 22 0.178 7.756 -4.248 135 HB2 ASP 22 1HB ASP 22 -0.927 6.004 -5.713 136 HB3 ASP 22 2HB ASP 22 -2.375 6.218 -4.732 137 H ALA 23 H ALA 23 -2.108 6.128 -2.109 138 HA ALA 23 HA ALA 23 -3.575 8.492 -1.463 139 HB1 ALA 23 3HB ALA 23 -4.050 6.763 0.608 140 HB2 ALA 23 1HB ALA 23 -4.953 6.823 -0.906 141 HB3 ALA 23 2HB ALA 23 -3.629 5.673 -0.713 142 H CYS 24 H CYS 24 -1.007 6.648 0.147 143 HA CYS 24 HA CYS 24 -0.868 7.998 2.547 144 HB2 CYS 24 1HB CYS 24 1.396 6.871 0.888 145 HB3 CYS 24 2HB CYS 24 1.546 7.361 2.571 146 HG CYS 24 HG CYS 24 -0.966 5.343 2.510 147 H GLU 25 H GLU 25 0.472 8.918 -0.582 148 HA GLU 25 HA GLU 25 1.627 11.343 0.553 149 HB2 GLU 25 1HB GLU 25 1.727 10.107 -2.196 150 HB3 GLU 25 2HB GLU 25 2.375 11.705 -1.854 151 HG2 GLU 25 1HG GLU 25 3.266 9.102 -0.637 152 HG3 GLU 25 2HG GLU 25 4.145 10.080 -1.811 153 H THR 26 H THR 26 -1.035 10.302 -1.459 154 HA THR 26 HA THR 26 -1.770 12.932 -2.327 155 HB THR 26 HB THR 26 -3.237 10.295 -2.399 156 HG1 THR 26 HG1 THR 26 -2.887 10.849 -4.755 157 HG21 THR 26 3HG2 THR 26 -4.962 11.922 -2.264 158 HG22 THR 26 1HG2 THR 26 -4.800 11.515 -3.971 159 HG23 THR 26 2HG2 THR 26 -4.111 13.016 -3.354 160 H LEU 27 H LEU 27 -3.614 10.620 -0.331 161 HA LEU 27 HA LEU 27 -5.192 12.708 0.822 162 HB2 LEU 27 1HB LEU 27 -4.931 9.852 1.744 163 HB3 LEU 27 2HB LEU 27 -6.246 10.969 2.103 164 HG LEU 27 HG LEU 27 -5.612 9.915 -0.651 165 HD11 LEU 27 1HD1 LEU 27 -8.030 8.868 0.096 166 HD12 LEU 27 2HD1 LEU 27 -7.083 8.745 1.579 167 HD13 LEU 27 3HD1 LEU 27 -6.493 8.003 0.092 168 HD21 LEU 27 3HD2 LEU 27 -7.119 12.112 0.164 169 HD22 LEU 27 1HD2 LEU 27 -8.300 10.843 -0.164 170 HD23 LEU 27 2HD2 LEU 27 -7.152 11.324 -1.414 171 H GLY 28 H GLY 28 -2.581 10.611 2.004 172 HA2 GLY 28 1HA GLY 28 -0.902 11.593 3.467 173 HA3 GLY 28 2HA GLY 28 -2.187 12.535 4.208 174 H LEU 29 H LEU 29 -0.142 10.265 4.982 175 HA LEU 29 HA LEU 29 -1.651 8.098 5.942 176 HB2 LEU 29 1HB LEU 29 0.999 9.253 6.756 177 HB3 LEU 29 2HB LEU 29 0.318 7.828 7.537 178 HG LEU 29 HG LEU 29 0.656 7.849 4.570 179 HD11 LEU 29 1HD1 LEU 29 2.789 8.607 5.871 180 HD12 LEU 29 2HD1 LEU 29 2.905 7.378 4.612 181 HD13 LEU 29 3HD1 LEU 29 2.886 6.902 6.310 182 HD21 LEU 29 3HD2 LEU 29 0.900 5.474 4.889 183 HD22 LEU 29 1HD2 LEU 29 -0.544 6.025 5.738 184 HD23 LEU 29 2HD2 LEU 29 0.930 5.674 6.642 185 H GLY 30 H GLY 30 -1.047 11.280 7.233 186 HA2 GLY 30 1HA GLY 30 -1.473 11.107 9.897 187 HA3 GLY 30 2HA GLY 30 -2.181 12.386 8.921 188 H ASN 31 H ASN 31 -3.904 10.595 7.413 189 HA ASN 31 HA ASN 31 -5.750 9.695 9.518 190 HB2 ASN 31 1HB ASN 31 -6.339 11.970 8.506 191 HB3 ASN 31 2HB ASN 31 -6.689 11.096 7.018 192 HD21 ASN 31 1HD2 ASN 31 -8.799 12.205 7.565 193 HD22 ASN 31 2HD2 ASN 31 -9.926 11.291 8.501 194 H TRP 32 H TRP 32 -5.145 7.548 9.115 195 HA TRP 32 HA TRP 32 -4.980 6.290 6.648 196 HB2 TRP 32 1HB TRP 32 -5.800 5.210 9.347 197 HB3 TRP 32 2HB TRP 32 -5.542 4.185 7.937 198 HD1 TRP 32 HD1 TRP 32 -3.700 5.963 10.690 199 HE1 TRP 32 HE1 TRP 32 -1.175 5.515 10.468 200 HE3 TRP 32 HE3 TRP 32 -3.662 3.799 6.058 201 HZ2 TRP 32 HZ2 TRP 32 0.598 4.394 8.580 202 HZ3 TRP 32 HZ3 TRP 32 -1.510 3.068 5.115 203 HH2 TRP 32 HH2 TRP 32 0.575 3.361 6.352 204 H ALA 33 H ALA 33 -7.796 6.969 8.647 205 HA ALA 33 HA ALA 33 -9.763 5.428 7.621 206 HB1 ALA 33 3HB ALA 33 -10.698 6.816 9.124 207 HB2 ALA 33 1HB ALA 33 -9.668 8.173 8.669 208 HB3 ALA 33 2HB ALA 33 -11.091 7.783 7.703 209 H ASP 34 H ASP 34 -8.323 8.243 6.047 210 HA ASP 34 HA ASP 34 -10.097 8.184 3.802 211 HB2 ASP 34 1HB ASP 34 -7.500 9.610 4.358 212 HB3 ASP 34 2HB ASP 34 -8.319 9.734 2.804 213 H ILE 35 H ILE 35 -6.753 7.135 4.365 214 HA ILE 35 HA ILE 35 -6.165 6.257 1.786 215 HB ILE 35 HB ILE 35 -5.181 5.124 4.407 216 HG12 ILE 35 1HG1 ILE 35 -3.945 7.185 2.569 217 HG13 ILE 35 2HG1 ILE 35 -4.756 7.546 4.089 218 HG21 ILE 35 1HG2 ILE 35 -3.405 4.954 2.110 219 HG22 ILE 35 2HG2 ILE 35 -3.845 3.725 3.294 220 HG23 ILE 35 3HG2 ILE 35 -4.888 4.022 1.903 221 HD11 ILE 35 3HD1 ILE 35 -2.217 7.460 4.092 222 HD12 ILE 35 1HD1 ILE 35 -3.060 6.562 5.354 223 HD13 ILE 35 2HD1 ILE 35 -2.394 5.711 3.961 224 H ALA 36 H ALA 36 -7.763 4.586 4.458 225 HA ALA 36 HA ALA 36 -7.867 2.020 3.374 226 HB1 ALA 36 3HB ALA 36 -10.211 2.968 4.921 227 HB2 ALA 36 1HB ALA 36 -9.250 1.500 5.101 228 HB3 ALA 36 2HB ALA 36 -8.634 3.039 5.706 229 H ASP 37 H ASP 37 -10.244 4.658 3.122 230 HA ASP 37 HA ASP 37 -12.063 3.262 1.485 231 HB2 ASP 37 1HB ASP 37 -12.415 5.444 2.808 232 HB3 ASP 37 2HB ASP 37 -11.704 6.250 1.413 233 H TYR 38 H TYR 38 -9.050 4.761 0.813 234 HA TYR 38 HA TYR 38 -9.564 5.038 -2.030 235 HB2 TYR 38 1HB TYR 38 -8.138 6.658 -0.737 236 HB3 TYR 38 2HB TYR 38 -6.943 5.378 -0.564 237 HD1 TYR 38 HD1 TYR 38 -5.721 4.546 -2.538 238 HD2 TYR 38 HD2 TYR 38 -8.410 7.832 -2.810 239 HE1 TYR 38 HE1 TYR 38 -4.739 5.163 -4.708 240 HE2 TYR 38 HE2 TYR 38 -7.436 8.457 -4.980 241 HH TYR 38 HH TYR 38 -4.534 7.316 -6.089 242 H VAL 39 H VAL 39 -7.791 2.926 0.158 243 HA VAL 39 HA VAL 39 -6.629 1.384 -1.990 244 HB VAL 39 HB VAL 39 -6.686 0.912 0.993 245 HG11 VAL 39 1HG1 VAL 39 -4.639 -0.600 0.090 246 HG12 VAL 39 2HG1 VAL 39 -6.264 -1.219 0.390 247 HG13 VAL 39 3HG1 VAL 39 -5.777 -0.772 -1.245 248 HG21 VAL 39 3HG2 VAL 39 -4.343 1.582 0.909 249 HG22 VAL 39 1HG2 VAL 39 -4.471 1.847 -0.830 250 HG23 VAL 39 2HG2 VAL 39 -5.383 2.863 0.286 251 H GLY 40 H GLY 40 -8.607 0.310 0.777 252 HA2 GLY 40 1HA GLY 40 -10.441 -1.089 0.852 253 HA3 GLY 40 2HA GLY 40 -10.580 -0.922 -0.891 254 H ASN 41 H ASN 41 -10.536 -2.843 -1.833 255 HA ASN 41 HA ASN 41 -10.046 -5.021 -2.291 256 HB2 ASN 41 1HB ASN 41 -7.273 -4.598 -1.240 257 HB3 ASN 41 2HB ASN 41 -7.800 -5.467 -2.678 258 HD21 ASN 41 1HD2 ASN 41 -6.266 -2.781 -1.636 259 HD22 ASN 41 2HD2 ASN 41 -6.513 -1.749 -3.000 260 H ALA 42 H ALA 42 -11.372 -4.912 0.014 261 HA ALA 42 HA ALA 42 -11.872 -6.122 1.876 262 HB1 ALA 42 3HB ALA 42 -9.602 -7.849 0.901 263 HB2 ALA 42 1HB ALA 42 -10.701 -8.277 2.213 264 HB3 ALA 42 2HB ALA 42 -11.321 -8.070 0.574 265 H ARG 43 H ARG 43 -10.012 -3.886 2.001 266 HA ARG 43 HA ARG 43 -8.518 -4.655 4.423 267 HB2 ARG 43 1HB ARG 43 -7.764 -2.420 2.538 268 HB3 ARG 43 2HB ARG 43 -6.819 -3.052 3.879 269 HG2 ARG 43 1HG ARG 43 -7.557 -4.704 1.481 270 HG3 ARG 43 2HG ARG 43 -6.078 -3.746 1.579 271 HD2 ARG 43 1HD ARG 43 -5.330 -5.001 3.488 272 HD3 ARG 43 2HD ARG 43 -6.865 -5.863 3.574 273 HE ARG 43 HE ARG 43 -5.423 -6.174 1.089 274 HH11 ARG 43 1HH1 ARG 43 -6.009 -7.419 4.287 275 HH12 ARG 43 2HH1 ARG 43 -5.476 -9.022 3.902 276 HH21 ARG 43 1HH2 ARG 43 -4.720 -8.281 0.570 277 HH22 ARG 43 2HH2 ARG 43 -4.742 -9.511 1.788 278 H THR 44 H THR 44 -7.871 -2.352 5.532 279 HA THR 44 HA THR 44 -9.887 -0.351 5.508 280 HB THR 44 HB THR 44 -11.194 -2.116 6.622 281 HG1 THR 44 HG1 THR 44 -11.307 0.198 7.239 282 HG21 THR 44 3HG2 THR 44 -8.796 -2.754 7.862 283 HG22 THR 44 1HG2 THR 44 -10.381 -3.428 8.241 284 HG23 THR 44 2HG2 THR 44 -9.770 -2.047 9.151 285 H LYS 45 H LYS 45 -9.533 1.302 7.151 286 HA LYS 45 HA LYS 45 -7.009 2.207 7.412 287 HB2 LYS 45 1HB LYS 45 -7.747 3.475 9.411 288 HB3 LYS 45 2HB LYS 45 -8.901 3.551 8.086 289 HG2 LYS 45 1HG LYS 45 -10.287 1.874 9.177 290 HG3 LYS 45 2HG LYS 45 -9.120 1.756 10.496 291 HD2 LYS 45 1HD LYS 45 -9.516 4.089 11.074 292 HD3 LYS 45 2HD LYS 45 -10.644 4.246 9.724 293 HE2 LYS 45 1HE LYS 45 -10.980 2.345 12.042 294 HE3 LYS 45 2HE LYS 45 -11.761 3.921 11.914 295 HZ1 LYS 45 3HZ LYS 45 -12.478 2.851 9.600 296 HZ2 LYS 45 1HZ LYS 45 -13.392 2.679 11.013 297 HZ3 LYS 45 2HZ LYS 45 -12.354 1.438 10.521 298 H GLU 46 H GLU 46 -8.619 0.040 9.719 299 HA GLU 46 HA GLU 46 -6.513 -0.128 11.566 300 HB2 GLU 46 1HB GLU 46 -8.781 -1.991 10.891 301 HB3 GLU 46 2HB GLU 46 -7.613 -2.368 12.149 302 HG2 GLU 46 1HG GLU 46 -9.068 0.239 12.181 303 HG3 GLU 46 2HG GLU 46 -9.846 -1.227 12.774 304 H GLU 47 H GLU 47 -7.196 -1.926 8.618 305 HA GLU 47 HA GLU 47 -4.950 -3.713 9.037 306 HB2 GLU 47 1HB GLU 47 -7.035 -3.431 6.890 307 HB3 GLU 47 2HB GLU 47 -5.627 -4.457 6.656 308 HG2 GLU 47 1HG GLU 47 -7.774 -4.735 8.739 309 HG3 GLU 47 2HG GLU 47 -7.411 -5.830 7.406 310 H CYS 48 H CYS 48 -5.877 -1.605 6.311 311 HA CYS 48 HA CYS 48 -3.554 -1.519 4.928 312 HB2 CYS 48 1HB CYS 48 -5.501 0.715 5.491 313 HB3 CYS 48 2HB CYS 48 -4.163 0.894 4.362 314 HG CYS 48 HG CYS 48 -5.313 -0.205 2.344 315 H ARG 49 H ARG 49 -4.236 0.138 7.944 316 HA ARG 49 HA ARG 49 -2.014 1.855 7.990 317 HB2 ARG 49 1HB ARG 49 -3.753 2.270 9.547 318 HB3 ARG 49 2HB ARG 49 -3.686 0.629 10.174 319 HG2 ARG 49 1HG ARG 49 -1.769 1.039 11.408 320 HG3 ARG 49 2HG ARG 49 -1.328 2.445 10.438 321 HD2 ARG 49 1HD ARG 49 -3.484 3.498 11.347 322 HD3 ARG 49 2HD ARG 49 -3.451 2.204 12.543 323 HE ARG 49 HE ARG 49 -0.945 3.397 12.560 324 HH11 ARG 49 1HH1 ARG 49 -4.242 4.276 13.251 325 HH12 ARG 49 2HH1 ARG 49 -3.814 5.463 14.438 326 HH21 ARG 49 1HH2 ARG 49 -0.369 4.957 14.121 327 HH22 ARG 49 2HH2 ARG 49 -1.611 5.850 14.932 328 H ASP 50 H ASP 50 -2.367 -1.001 10.084 329 HA ASP 50 HA ASP 50 0.312 -1.270 10.722 330 HB2 ASP 50 1HB ASP 50 -1.526 -3.639 10.427 331 HB3 ASP 50 2HB ASP 50 -0.215 -3.410 11.581 332 H HIS 51 H HIS 51 -1.450 -2.471 7.933 333 HA HIS 51 HA HIS 51 0.356 -4.305 6.916 334 HB2 HIS 51 1HB HIS 51 -1.668 -4.223 5.771 335 HB3 HIS 51 2HB HIS 51 -1.641 -2.467 5.643 336 HD1 HIS 51 HD1 HIS 51 0.484 -5.340 4.312 337 HD2 HIS 51 HD2 HIS 51 -1.080 -1.677 3.130 338 HE1 HIS 51 HE1 HIS 51 1.179 -5.056 1.912 339 HE2 HIS 51 HE2 HIS 51 0.294 -2.794 1.244 340 H TYR 52 H TYR 52 0.354 -0.788 6.645 341 HA TYR 52 HA TYR 52 2.644 -0.744 4.899 342 HB2 TYR 52 1HB TYR 52 0.869 1.005 4.845 343 HB3 TYR 52 2HB TYR 52 1.388 1.535 6.441 344 HD1 TYR 52 HD2 TYR 52 4.052 1.974 6.556 345 HD2 TYR 52 HD1 TYR 52 1.648 2.220 3.054 346 HE1 TYR 52 HE2 TYR 52 5.718 3.461 5.524 347 HE2 TYR 52 HE1 TYR 52 3.307 3.707 2.012 348 HH TYR 52 HH TYR 52 5.891 5.107 3.787 349 H LEU 53 H LEU 53 2.010 -0.049 8.315 350 HA LEU 53 HA LEU 53 4.658 0.734 8.948 351 HB2 LEU 53 1HB LEU 53 2.427 -0.318 10.677 352 HB3 LEU 53 2HB LEU 53 3.948 0.315 11.304 353 HG LEU 53 HG LEU 53 2.133 1.984 9.587 354 HD11 LEU 53 1HD1 LEU 53 1.057 0.978 11.728 355 HD12 LEU 53 2HD1 LEU 53 0.899 2.702 11.397 356 HD13 LEU 53 3HD1 LEU 53 2.088 2.135 12.569 357 HD21 LEU 53 3HD2 LEU 53 3.305 3.722 11.155 358 HD22 LEU 53 1HD2 LEU 53 4.145 3.080 9.743 359 HD23 LEU 53 2HD2 LEU 53 4.498 2.436 11.347 360 H LYS 54 H LYS 54 3.422 -2.239 8.094 361 HA LYS 54 HA LYS 54 5.506 -3.687 9.587 362 HB2 LYS 54 1HB LYS 54 4.193 -5.624 9.509 363 HB3 LYS 54 2HB LYS 54 3.029 -4.343 9.818 364 HG2 LYS 54 1HG LYS 54 2.232 -4.392 7.604 365 HG3 LYS 54 2HG LYS 54 3.599 -5.362 7.052 366 HD2 LYS 54 1HD LYS 54 1.863 -6.482 9.189 367 HD3 LYS 54 2HD LYS 54 1.226 -6.436 7.544 368 HE2 LYS 54 1HE LYS 54 2.320 -8.564 7.985 369 HE3 LYS 54 2HE LYS 54 3.196 -7.657 6.753 370 HZ1 LYS 54 3HZ LYS 54 4.655 -8.694 8.423 371 HZ2 LYS 54 1HZ LYS 54 3.945 -7.737 9.624 372 HZ3 LYS 54 2HZ LYS 54 4.820 -7.011 8.372 373 H THR 55 H THR 55 4.236 -2.939 6.431 374 HA THR 55 HA THR 55 6.043 -4.783 5.095 375 HB THR 55 HB THR 55 4.049 -2.794 3.995 376 HG1 THR 55 HG1 THR 55 3.404 -4.888 5.065 377 HG21 THR 55 3HG2 THR 55 5.496 -2.900 2.221 378 HG22 THR 55 1HG2 THR 55 4.522 -4.332 1.892 379 HG23 THR 55 2HG2 THR 55 6.098 -4.496 2.666 380 H TYR 56 H TYR 56 5.464 -1.263 5.080 381 HA TYR 56 HA TYR 56 7.921 -0.736 3.691 382 HB2 TYR 56 1HB TYR 56 5.871 1.048 5.003 383 HB3 TYR 56 2HB TYR 56 7.329 1.677 4.243 384 HD1 TYR 56 HD1 TYR 56 4.392 -0.506 3.503 385 HD2 TYR 56 HD2 TYR 56 7.277 2.232 1.992 386 HE1 TYR 56 HE1 TYR 56 3.249 -0.513 1.325 387 HE2 TYR 56 HE2 TYR 56 6.142 2.233 -0.190 388 HH TYR 56 HH TYR 56 3.417 0.090 -0.844 389 H ILE 57 H ILE 57 6.766 0.347 6.890 390 HA ILE 57 HA ILE 57 9.256 1.177 7.842 391 HB ILE 57 HB ILE 57 6.758 0.303 9.268 392 HG12 ILE 57 1HG1 ILE 57 6.430 2.617 9.670 393 HG13 ILE 57 2HG1 ILE 57 8.092 3.006 9.239 394 HG21 ILE 57 1HG2 ILE 57 9.337 1.259 10.498 395 HG22 ILE 57 2HG2 ILE 57 7.795 1.183 11.348 396 HG23 ILE 57 3HG2 ILE 57 8.547 -0.297 10.752 397 HD11 ILE 57 3HD1 ILE 57 7.621 2.457 6.914 398 HD12 ILE 57 1HD1 ILE 57 5.959 2.053 7.343 399 HD13 ILE 57 2HD1 ILE 57 6.536 3.711 7.513 400 H GLU 58 H GLU 58 7.508 -1.796 8.771 401 HA GLU 58 HA GLU 58 9.942 -2.950 9.823 402 HB2 GLU 58 1HB GLU 58 7.445 -3.209 10.655 403 HB3 GLU 58 2HB GLU 58 7.430 -4.530 9.495 404 HG2 GLU 58 1HG GLU 58 7.986 -5.130 11.879 405 HG3 GLU 58 2HG GLU 58 9.105 -5.704 10.644 Start of MODEL 5 1 H1 GLY 1 H GLY 1 10.073 2.382 -11.389 2 HA2 GLY 1 1HA GLY 1 9.546 3.730 -8.830 3 HA3 GLY 1 2HA GLY 1 10.144 2.088 -9.017 4 H SER 2 H SER 2 11.667 2.951 -7.337 5 HA SER 2 HA SER 2 14.008 4.125 -8.680 6 HB2 SER 2 1HB SER 2 14.541 5.326 -6.569 7 HB3 SER 2 2HB SER 2 13.026 5.865 -7.292 8 HG SER 2 HG SER 2 11.915 4.585 -5.790 9 H SER 3 H SER 3 12.948 2.412 -5.742 10 HA SER 3 HA SER 3 15.465 0.881 -5.840 11 HB2 SER 3 1HB SER 3 15.285 2.255 -3.818 12 HB3 SER 3 2HB SER 3 13.726 1.520 -3.443 13 HG SER 3 HG SER 3 15.830 0.666 -2.466 14 H GLY 4 H GLY 4 15.329 -1.240 -6.191 15 HA2 GLY 4 1HA GLY 4 13.186 -2.620 -7.068 16 HA3 GLY 4 2HA GLY 4 14.478 -3.394 -6.163 17 H SER 5 H SER 5 11.322 -3.392 -6.321 18 HA SER 5 HA SER 5 10.204 -2.713 -3.914 19 HB2 SER 5 1HB SER 5 8.954 -3.639 -5.852 20 HB3 SER 5 2HB SER 5 9.593 -5.238 -5.470 21 HG SER 5 HG SER 5 8.612 -4.686 -3.271 22 H SER 6 H SER 6 11.138 -3.061 -1.995 23 HA SER 6 HA SER 6 12.361 -5.653 -1.425 24 HB2 SER 6 1HB SER 6 13.311 -4.584 0.541 25 HB3 SER 6 2HB SER 6 13.599 -3.566 -0.870 26 HG SER 6 HG SER 6 11.398 -2.649 -0.041 27 H GLY 7 H GLY 7 11.539 -7.114 -0.031 28 HA2 GLY 7 1HA GLY 7 9.779 -6.598 2.082 29 HA3 GLY 7 2HA GLY 7 8.810 -7.005 0.674 30 H PHE 8 H PHE 8 9.749 -8.322 3.374 31 HA PHE 8 HA PHE 8 10.991 -10.755 2.519 32 HB2 PHE 8 1HB PHE 8 9.552 -10.191 5.119 33 HB3 PHE 8 2HB PHE 8 10.694 -11.495 4.811 34 HD1 PHE 8 HD1 PHE 8 10.305 -7.917 5.433 35 HD2 PHE 8 HD2 PHE 8 13.071 -11.068 4.695 36 HE1 PHE 8 HE1 PHE 8 12.151 -6.465 6.166 37 HE2 PHE 8 HE2 PHE 8 14.920 -9.621 5.428 38 HZ PHE 8 HZ PHE 8 14.462 -7.316 6.166 39 H ASP 9 H ASP 9 7.707 -9.688 3.126 40 HA ASP 9 HA ASP 9 6.740 -12.213 1.980 41 HB2 ASP 9 1HB ASP 9 5.497 -10.823 4.364 42 HB3 ASP 9 2HB ASP 9 4.897 -12.285 3.584 43 H GLU 10 H GLU 10 6.166 -11.398 0.023 44 HA GLU 10 HA GLU 10 4.556 -8.966 -0.098 45 HB2 GLU 10 1HB GLU 10 5.765 -10.670 -2.282 46 HB3 GLU 10 2HB GLU 10 4.832 -9.206 -2.561 47 HG2 GLU 10 1HG GLU 10 6.570 -8.070 -1.040 48 HG3 GLU 10 2HG GLU 10 7.548 -9.503 -1.350 49 H ASN 11 H ASN 11 2.668 -9.881 0.882 50 HA ASN 11 HA ASN 11 1.293 -11.999 -0.562 51 HB2 ASN 11 1HB ASN 11 0.814 -10.561 2.031 52 HB3 ASN 11 2HB ASN 11 -0.476 -11.499 1.286 53 HD21 ASN 11 1HD2 ASN 11 0.397 -12.197 3.737 54 HD22 ASN 11 2HD2 ASN 11 1.292 -13.673 3.663 55 H TRP 12 H TRP 12 0.821 -8.581 0.250 56 HA TRP 12 HA TRP 12 -1.672 -8.161 -0.860 57 HB2 TRP 12 1HB TRP 12 0.731 -6.416 -0.485 58 HB3 TRP 12 2HB TRP 12 -0.642 -5.800 -1.400 59 HD1 TRP 12 HD1 TRP 12 -0.647 -7.876 1.882 60 HE1 TRP 12 HE1 TRP 12 -2.000 -6.570 3.639 61 HE3 TRP 12 HE3 TRP 12 -1.675 -3.675 -0.844 62 HZ2 TRP 12 HZ2 TRP 12 -3.328 -4.087 3.842 63 HZ3 TRP 12 HZ3 TRP 12 -2.993 -1.881 0.205 64 HH2 TRP 12 HH2 TRP 12 -3.802 -2.085 2.499 65 H GLY 13 H GLY 13 -1.715 -6.432 -2.879 66 HA2 GLY 13 1HA GLY 13 -0.353 -7.806 -5.111 67 HA3 GLY 13 2HA GLY 13 -2.055 -7.376 -5.194 68 H ALA 14 H ALA 14 0.000 -6.556 -7.013 69 HA ALA 14 HA ALA 14 1.139 -4.105 -6.688 70 HB1 ALA 14 3HB ALA 14 -0.300 -5.026 -9.172 71 HB2 ALA 14 1HB ALA 14 0.951 -3.786 -9.087 72 HB3 ALA 14 2HB ALA 14 1.347 -5.465 -8.720 73 H ASP 15 H ASP 15 -2.259 -4.815 -7.117 74 HA ASP 15 HA ASP 15 -3.124 -2.182 -7.689 75 HB2 ASP 15 1HB ASP 15 -4.717 -4.364 -6.333 76 HB3 ASP 15 2HB ASP 15 -5.350 -2.987 -7.231 77 H GLU 16 H GLU 16 -3.776 -3.996 -4.692 78 HA GLU 16 HA GLU 16 -4.333 -1.710 -3.160 79 HB2 GLU 16 1HB GLU 16 -4.067 -3.233 -1.199 80 HB3 GLU 16 2HB GLU 16 -5.149 -3.848 -2.440 81 HG2 GLU 16 1HG GLU 16 -2.294 -4.655 -2.539 82 HG3 GLU 16 2HG GLU 16 -3.330 -5.373 -1.307 83 H GLU 17 H GLU 17 -1.378 -2.986 -4.233 84 HA GLU 17 HA GLU 17 0.210 -1.905 -2.064 85 HB2 GLU 17 1HB GLU 17 0.812 -3.395 -4.594 86 HB3 GLU 17 2HB GLU 17 2.101 -2.541 -3.757 87 HG2 GLU 17 1HG GLU 17 1.161 -3.863 -1.681 88 HG3 GLU 17 2HG GLU 17 0.575 -4.950 -2.939 89 H LEU 18 H LEU 18 -0.678 -1.059 -5.353 90 HA LEU 18 HA LEU 18 1.151 1.137 -5.552 91 HB2 LEU 18 1HB LEU 18 0.628 0.432 -7.643 92 HB3 LEU 18 2HB LEU 18 -1.015 -0.025 -7.196 93 HG LEU 18 HG LEU 18 -1.475 2.508 -7.127 94 HD11 LEU 18 1HD1 LEU 18 1.269 2.408 -8.184 95 HD12 LEU 18 2HD1 LEU 18 0.418 3.704 -7.345 96 HD13 LEU 18 3HD1 LEU 18 0.147 3.443 -9.067 97 HD21 LEU 18 3HD2 LEU 18 -2.381 2.328 -9.196 98 HD22 LEU 18 1HD2 LEU 18 -1.949 0.633 -8.968 99 HD23 LEU 18 2HD2 LEU 18 -0.900 1.691 -9.913 100 H LEU 19 H LEU 19 -2.307 0.797 -4.860 101 HA LEU 19 HA LEU 19 -2.920 3.534 -4.727 102 HB2 LEU 19 1HB LEU 19 -4.184 1.219 -3.266 103 HB3 LEU 19 2HB LEU 19 -4.882 2.831 -3.417 104 HG LEU 19 HG LEU 19 -4.297 1.052 -5.777 105 HD11 LEU 19 1HD1 LEU 19 -6.595 1.111 -3.909 106 HD12 LEU 19 2HD1 LEU 19 -5.925 -0.224 -4.846 107 HD13 LEU 19 3HD1 LEU 19 -6.949 0.977 -5.632 108 HD21 LEU 19 3HD2 LEU 19 -4.662 3.680 -5.818 109 HD22 LEU 19 1HD2 LEU 19 -6.355 3.189 -5.755 110 HD23 LEU 19 2HD2 LEU 19 -5.321 2.623 -7.067 111 H LEU 20 H LEU 20 -2.212 1.239 -2.091 112 HA LEU 20 HA LEU 20 -2.370 2.750 0.117 113 HB2 LEU 20 1HB LEU 20 -1.554 0.420 0.037 114 HB3 LEU 20 2HB LEU 20 0.005 1.011 -0.533 115 HG LEU 20 HG LEU 20 0.406 2.114 1.578 116 HD11 LEU 20 1HD1 LEU 20 -2.362 1.167 2.292 117 HD12 LEU 20 2HD1 LEU 20 -1.793 2.832 2.177 118 HD13 LEU 20 3HD1 LEU 20 -1.193 1.782 3.461 119 HD21 LEU 20 3HD2 LEU 20 -0.380 -0.313 2.852 120 HD22 LEU 20 1HD2 LEU 20 1.226 0.197 2.331 121 HD23 LEU 20 2HD2 LEU 20 0.174 -0.677 1.217 122 H ILE 21 H ILE 21 0.418 2.790 -2.091 123 HA ILE 21 HA ILE 21 1.809 4.826 -0.676 124 HB ILE 21 HB ILE 21 2.110 3.925 -3.543 125 HG12 ILE 21 1HG1 ILE 21 3.891 3.238 -1.212 126 HG13 ILE 21 2HG1 ILE 21 2.489 2.256 -1.624 127 HG21 ILE 21 1HG2 ILE 21 3.140 6.207 -2.328 128 HG22 ILE 21 2HG2 ILE 21 4.467 5.047 -2.313 129 HG23 ILE 21 3HG2 ILE 21 3.683 5.470 -3.835 130 HD11 ILE 21 3HD1 ILE 21 4.691 2.883 -3.567 131 HD12 ILE 21 1HD1 ILE 21 4.679 1.456 -2.531 132 HD13 ILE 21 2HD1 ILE 21 3.407 1.686 -3.730 133 H ASP 22 H ASP 22 -0.006 4.879 -3.744 134 HA ASP 22 HA ASP 22 0.188 7.516 -4.412 135 HB2 ASP 22 1HB ASP 22 -1.921 5.455 -4.786 136 HB3 ASP 22 2HB ASP 22 -2.369 7.127 -5.115 137 H ALA 23 H ALA 23 -1.949 6.091 -1.992 138 HA ALA 23 HA ALA 23 -3.297 8.548 -1.402 139 HB1 ALA 23 3HB ALA 23 -3.230 5.842 -0.116 140 HB2 ALA 23 1HB ALA 23 -4.042 7.203 0.658 141 HB3 ALA 23 2HB ALA 23 -4.566 6.652 -0.934 142 H CYS 24 H CYS 24 -0.805 6.623 0.257 143 HA CYS 24 HA CYS 24 -0.420 8.044 2.540 144 HB2 CYS 24 1HB CYS 24 0.963 6.195 2.359 145 HB3 CYS 24 2HB CYS 24 1.477 6.608 0.728 146 HG CYS 24 HG CYS 24 2.709 7.674 3.692 147 H GLU 25 H GLU 25 0.746 8.899 -0.683 148 HA GLU 25 HA GLU 25 1.945 11.351 0.340 149 HB2 GLU 25 1HB GLU 25 2.069 9.838 -2.222 150 HB3 GLU 25 2HB GLU 25 2.352 11.572 -2.283 151 HG2 GLU 25 1HG GLU 25 3.834 9.807 -0.370 152 HG3 GLU 25 2HG GLU 25 4.372 10.036 -2.032 153 H THR 26 H THR 26 -0.809 10.257 -1.508 154 HA THR 26 HA THR 26 -1.588 12.890 -2.366 155 HB THR 26 HB THR 26 -3.026 10.235 -2.437 156 HG1 THR 26 HG1 THR 26 -1.294 10.510 -3.923 157 HG21 THR 26 3HG2 THR 26 -4.707 11.961 -2.239 158 HG22 THR 26 1HG2 THR 26 -4.672 11.378 -3.903 159 HG23 THR 26 2HG2 THR 26 -3.920 12.920 -3.493 160 H LEU 27 H LEU 27 -3.401 10.527 -0.407 161 HA LEU 27 HA LEU 27 -4.973 12.567 0.819 162 HB2 LEU 27 1HB LEU 27 -4.638 9.688 1.647 163 HB3 LEU 27 2HB LEU 27 -5.938 10.775 2.132 164 HG LEU 27 HG LEU 27 -5.453 9.789 -0.678 165 HD11 LEU 27 1HD1 LEU 27 -7.836 8.772 0.039 166 HD12 LEU 27 2HD1 LEU 27 -7.000 8.721 1.591 167 HD13 LEU 27 3HD1 LEU 27 -6.312 7.897 0.192 168 HD21 LEU 27 3HD2 LEU 27 -7.846 10.681 -0.909 169 HD22 LEU 27 1HD2 LEU 27 -6.527 11.851 -0.883 170 HD23 LEU 27 2HD2 LEU 27 -7.504 11.592 0.563 171 H GLY 28 H GLY 28 -2.307 10.500 1.930 172 HA2 GLY 28 1HA GLY 28 -0.617 11.339 3.402 173 HA3 GLY 28 2HA GLY 28 -1.796 12.465 4.057 174 H LEU 29 H LEU 29 -0.131 9.670 4.655 175 HA LEU 29 HA LEU 29 -1.795 7.879 5.852 176 HB2 LEU 29 1HB LEU 29 0.887 8.851 6.819 177 HB3 LEU 29 2HB LEU 29 0.066 7.430 7.461 178 HG LEU 29 HG LEU 29 0.923 7.742 4.586 179 HD11 LEU 29 1HD1 LEU 29 2.849 7.711 6.121 180 HD12 LEU 29 2HD1 LEU 29 2.763 6.267 5.113 181 HD13 LEU 29 3HD1 LEU 29 2.259 6.194 6.801 182 HD21 LEU 29 3HD2 LEU 29 -0.777 5.888 5.950 183 HD22 LEU 29 1HD2 LEU 29 0.668 5.054 5.377 184 HD23 LEU 29 2HD2 LEU 29 -0.341 5.952 4.242 185 H GLY 30 H GLY 30 -1.187 11.114 6.852 186 HA2 GLY 30 1HA GLY 30 -1.584 11.193 9.537 187 HA3 GLY 30 2HA GLY 30 -2.284 12.377 8.443 188 H ASN 31 H ASN 31 -4.001 10.418 7.117 189 HA ASN 31 HA ASN 31 -5.845 9.713 9.291 190 HB2 ASN 31 1HB ASN 31 -6.361 11.940 8.023 191 HB3 ASN 31 2HB ASN 31 -6.910 10.871 6.735 192 HD21 ASN 31 1HD2 ASN 31 -8.857 9.933 6.889 193 HD22 ASN 31 2HD2 ASN 31 -9.923 10.099 8.238 194 H TRP 32 H TRP 32 -5.397 7.534 9.061 195 HA TRP 32 HA TRP 32 -5.261 6.137 6.633 196 HB2 TRP 32 1HB TRP 32 -5.981 5.188 9.412 197 HB3 TRP 32 2HB TRP 32 -5.706 4.109 8.048 198 HD1 TRP 32 HD1 TRP 32 -3.887 6.097 10.675 199 HE1 TRP 32 HE1 TRP 32 -1.353 5.711 10.445 200 HE3 TRP 32 HE3 TRP 32 -3.843 3.658 6.182 201 HZ2 TRP 32 HZ2 TRP 32 0.429 4.529 8.602 202 HZ3 TRP 32 HZ3 TRP 32 -1.682 2.934 5.255 203 HH2 TRP 32 HH2 TRP 32 0.409 3.362 6.441 204 H ALA 33 H ALA 33 -7.980 6.773 8.807 205 HA ALA 33 HA ALA 33 -9.960 5.197 7.860 206 HB1 ALA 33 3HB ALA 33 -10.911 6.500 9.410 207 HB2 ALA 33 1HB ALA 33 -9.860 7.868 9.039 208 HB3 ALA 33 2HB ALA 33 -11.302 7.573 8.066 209 H ASP 34 H ASP 34 -8.719 8.109 6.288 210 HA ASP 34 HA ASP 34 -10.613 7.997 4.134 211 HB2 ASP 34 1HB ASP 34 -8.178 9.644 4.730 212 HB3 ASP 34 2HB ASP 34 -8.890 9.677 3.120 213 H ILE 35 H ILE 35 -7.219 7.101 4.572 214 HA ILE 35 HA ILE 35 -6.633 6.403 1.932 215 HB ILE 35 HB ILE 35 -5.535 5.259 4.501 216 HG12 ILE 35 1HG1 ILE 35 -4.482 7.372 2.607 217 HG13 ILE 35 2HG1 ILE 35 -5.144 7.660 4.212 218 HG21 ILE 35 1HG2 ILE 35 -3.755 5.081 2.251 219 HG22 ILE 35 2HG2 ILE 35 -4.313 3.813 3.341 220 HG23 ILE 35 3HG2 ILE 35 -5.262 4.230 1.914 221 HD11 ILE 35 3HD1 ILE 35 -2.712 5.972 3.703 222 HD12 ILE 35 1HD1 ILE 35 -2.652 7.699 4.055 223 HD13 ILE 35 2HD1 ILE 35 -3.307 6.578 5.249 224 H ALA 36 H ALA 36 -8.083 4.517 4.544 225 HA ALA 36 HA ALA 36 -8.063 1.993 3.411 226 HB1 ALA 36 3HB ALA 36 -9.212 3.176 5.650 227 HB2 ALA 36 1HB ALA 36 -10.571 2.496 4.755 228 HB3 ALA 36 2HB ALA 36 -9.224 1.463 5.233 229 H ASP 37 H ASP 37 -10.473 4.572 3.005 230 HA ASP 37 HA ASP 37 -12.187 3.100 1.304 231 HB2 ASP 37 1HB ASP 37 -12.551 5.358 2.611 232 HB3 ASP 37 2HB ASP 37 -11.984 6.079 1.107 233 H TYR 38 H TYR 38 -9.210 4.746 0.772 234 HA TYR 38 HA TYR 38 -9.587 4.986 -2.090 235 HB2 TYR 38 1HB TYR 38 -8.273 6.642 -0.713 236 HB3 TYR 38 2HB TYR 38 -7.042 5.400 -0.515 237 HD1 TYR 38 HD1 TYR 38 -5.772 4.597 -2.494 238 HD2 TYR 38 HD2 TYR 38 -8.467 7.880 -2.741 239 HE1 TYR 38 HE1 TYR 38 -4.737 5.278 -4.619 240 HE2 TYR 38 HE2 TYR 38 -7.441 8.569 -4.868 241 HH TYR 38 HH TYR 38 -4.568 7.689 -5.893 242 H VAL 39 H VAL 39 -7.858 2.928 0.182 243 HA VAL 39 HA VAL 39 -6.586 1.411 -1.933 244 HB VAL 39 HB VAL 39 -6.640 0.980 1.056 245 HG11 VAL 39 1HG1 VAL 39 -6.352 -1.120 -0.230 246 HG12 VAL 39 2HG1 VAL 39 -4.932 -0.412 -1.002 247 HG13 VAL 39 3HG1 VAL 39 -4.942 -0.695 0.739 248 HG21 VAL 39 3HG2 VAL 39 -4.330 1.770 0.978 249 HG22 VAL 39 1HG2 VAL 39 -4.472 2.028 -0.761 250 HG23 VAL 39 2HG2 VAL 39 -5.438 2.992 0.356 251 H GLY 40 H GLY 40 -8.575 0.356 0.837 252 HA2 GLY 40 1HA GLY 40 -10.268 -1.191 0.976 253 HA3 GLY 40 2HA GLY 40 -10.527 -0.950 -0.745 254 H ASN 41 H ASN 41 -10.497 -2.837 -1.758 255 HA ASN 41 HA ASN 41 -9.927 -4.948 -2.388 256 HB2 ASN 41 1HB ASN 41 -7.139 -4.471 -1.388 257 HB3 ASN 41 2HB ASN 41 -7.670 -5.322 -2.836 258 HD21 ASN 41 1HD2 ASN 41 -6.367 -2.510 -1.653 259 HD22 ASN 41 2HD2 ASN 41 -6.636 -1.488 -3.020 260 H ALA 42 H ALA 42 -11.173 -4.981 -0.019 261 HA ALA 42 HA ALA 42 -11.604 -6.373 1.734 262 HB1 ALA 42 3HB ALA 42 -9.411 -8.169 1.737 263 HB2 ALA 42 1HB ALA 42 -11.071 -8.461 1.214 264 HB3 ALA 42 2HB ALA 42 -9.871 -7.878 0.060 265 H ARG 43 H ARG 43 -9.747 -4.035 1.862 266 HA ARG 43 HA ARG 43 -8.349 -4.773 4.350 267 HB2 ARG 43 1HB ARG 43 -7.526 -2.505 2.546 268 HB3 ARG 43 2HB ARG 43 -6.609 -3.242 3.853 269 HG2 ARG 43 1HG ARG 43 -7.372 -4.731 1.359 270 HG3 ARG 43 2HG ARG 43 -5.873 -3.813 1.514 271 HD2 ARG 43 1HD ARG 43 -5.167 -5.188 3.360 272 HD3 ARG 43 2HD ARG 43 -6.716 -6.030 3.374 273 HE ARG 43 HE ARG 43 -5.379 -6.247 0.858 274 HH11 ARG 43 1HH1 ARG 43 -5.531 -7.536 4.088 275 HH12 ARG 43 2HH1 ARG 43 -4.900 -9.086 3.640 276 HH21 ARG 43 1HH2 ARG 43 -4.548 -8.284 0.255 277 HH22 ARG 43 2HH2 ARG 43 -4.341 -9.510 1.459 278 H THR 44 H THR 44 -7.758 -2.458 5.464 279 HA THR 44 HA THR 44 -9.792 -0.476 5.349 280 HB THR 44 HB THR 44 -11.182 -2.124 6.434 281 HG1 THR 44 HG1 THR 44 -11.265 0.067 7.225 282 HG21 THR 44 3HG2 THR 44 -9.833 -2.409 8.950 283 HG22 THR 44 1HG2 THR 44 -8.777 -2.948 7.645 284 HG23 THR 44 2HG2 THR 44 -10.379 -3.660 7.834 285 H LYS 45 H LYS 45 -9.566 1.131 7.128 286 HA LYS 45 HA LYS 45 -7.078 2.145 7.404 287 HB2 LYS 45 1HB LYS 45 -7.863 3.349 9.399 288 HB3 LYS 45 2HB LYS 45 -9.074 3.345 8.124 289 HG2 LYS 45 1HG LYS 45 -10.217 1.476 9.281 290 HG3 LYS 45 2HG LYS 45 -9.051 1.630 10.597 291 HD2 LYS 45 1HD LYS 45 -9.864 3.720 11.235 292 HD3 LYS 45 2HD LYS 45 -10.654 3.991 9.680 293 HE2 LYS 45 1HE LYS 45 -12.423 3.509 11.116 294 HE3 LYS 45 2HE LYS 45 -12.116 1.972 10.309 295 HZ1 LYS 45 3HZ LYS 45 -11.348 1.027 12.198 296 HZ2 LYS 45 1HZ LYS 45 -12.353 2.178 12.923 297 HZ3 LYS 45 2HZ LYS 45 -10.690 2.463 12.804 298 H GLU 46 H GLU 46 -8.594 -0.145 9.659 299 HA GLU 46 HA GLU 46 -6.516 -0.289 11.516 300 HB2 GLU 46 1HB GLU 46 -8.465 -2.449 10.689 301 HB3 GLU 46 2HB GLU 46 -7.471 -2.485 12.139 302 HG2 GLU 46 1HG GLU 46 -8.611 -0.554 13.022 303 HG3 GLU 46 2HG GLU 46 -9.543 -0.388 11.535 304 H GLU 47 H GLU 47 -7.009 -2.007 8.479 305 HA GLU 47 HA GLU 47 -4.631 -3.622 8.866 306 HB2 GLU 47 1HB GLU 47 -6.729 -3.435 6.727 307 HB3 GLU 47 2HB GLU 47 -5.224 -4.290 6.423 308 HG2 GLU 47 1HG GLU 47 -6.754 -4.962 8.877 309 HG3 GLU 47 2HG GLU 47 -7.360 -5.530 7.322 310 H CYS 48 H CYS 48 -5.689 -1.488 6.208 311 HA CYS 48 HA CYS 48 -3.360 -1.161 4.869 312 HB2 CYS 48 1HB CYS 48 -5.559 0.804 5.454 313 HB3 CYS 48 2HB CYS 48 -4.176 1.268 4.471 314 HG CYS 48 HG CYS 48 -5.500 -1.593 3.434 315 H ARG 49 H ARG 49 -4.174 0.203 7.977 316 HA ARG 49 HA ARG 49 -2.070 2.105 8.096 317 HB2 ARG 49 1HB ARG 49 -3.896 2.424 9.577 318 HB3 ARG 49 2HB ARG 49 -3.773 0.784 10.200 319 HG2 ARG 49 1HG ARG 49 -1.822 1.289 11.426 320 HG3 ARG 49 2HG ARG 49 -1.605 2.825 10.584 321 HD2 ARG 49 1HD ARG 49 -3.402 3.823 11.705 322 HD3 ARG 49 2HD ARG 49 -4.057 2.269 12.219 323 HE ARG 49 HE ARG 49 -1.463 2.748 13.302 324 HH11 ARG 49 1HH1 ARG 49 -4.841 3.502 13.678 325 HH12 ARG 49 2HH1 ARG 49 -4.714 3.822 15.376 326 HH21 ARG 49 1HH2 ARG 49 -1.284 3.167 15.537 327 HH22 ARG 49 2HH2 ARG 49 -2.690 3.633 16.432 328 H ASP 50 H ASP 50 -2.394 -0.815 10.109 329 HA ASP 50 HA ASP 50 0.289 -0.955 10.843 330 HB2 ASP 50 1HB ASP 50 -1.706 -2.199 11.849 331 HB3 ASP 50 2HB ASP 50 -1.486 -3.375 10.556 332 H HIS 51 H HIS 51 -1.418 -2.707 8.259 333 HA HIS 51 HA HIS 51 0.512 -4.326 7.269 334 HB2 HIS 51 1HB HIS 51 -1.610 -4.338 6.206 335 HB3 HIS 51 2HB HIS 51 -1.493 -2.632 5.784 336 HD1 HIS 51 HD1 HIS 51 0.370 -5.850 4.959 337 HD2 HIS 51 HD2 HIS 51 -0.744 -2.245 3.219 338 HE1 HIS 51 HE1 HIS 51 1.132 -5.994 2.567 339 HE2 HIS 51 HE2 HIS 51 0.524 -3.769 1.557 340 H TYR 52 H TYR 52 0.247 -0.843 6.702 341 HA TYR 52 HA TYR 52 2.559 -0.765 4.996 342 HB2 TYR 52 1HB TYR 52 0.796 0.863 4.658 343 HB3 TYR 52 2HB TYR 52 0.958 1.437 6.313 344 HD1 TYR 52 HD2 TYR 52 3.376 2.311 6.940 345 HD2 TYR 52 HD1 TYR 52 1.856 2.040 2.975 346 HE1 TYR 52 HE2 TYR 52 5.018 3.986 6.202 347 HE2 TYR 52 HE1 TYR 52 3.495 3.714 2.226 348 HH TYR 52 HH TYR 52 6.015 4.444 3.333 349 H LEU 53 H LEU 53 1.937 -0.520 8.386 350 HA LEU 53 HA LEU 53 4.448 0.761 9.011 351 HB2 LEU 53 1HB LEU 53 2.321 -0.505 10.725 352 HB3 LEU 53 2HB LEU 53 3.783 0.236 11.373 353 HG LEU 53 HG LEU 53 1.831 1.770 9.677 354 HD11 LEU 53 1HD1 LEU 53 1.265 2.651 12.128 355 HD12 LEU 53 2HD1 LEU 53 1.642 0.974 12.520 356 HD13 LEU 53 3HD1 LEU 53 0.370 1.343 11.354 357 HD21 LEU 53 3HD2 LEU 53 3.883 2.900 9.836 358 HD22 LEU 53 1HD2 LEU 53 4.083 2.474 11.536 359 HD23 LEU 53 2HD2 LEU 53 2.855 3.647 11.060 360 H LYS 54 H LYS 54 3.461 -2.366 8.265 361 HA LYS 54 HA LYS 54 5.787 -3.531 9.649 362 HB2 LYS 54 1HB LYS 54 4.647 -5.498 9.955 363 HB3 LYS 54 2HB LYS 54 3.305 -4.363 10.013 364 HG2 LYS 54 1HG LYS 54 2.710 -4.855 7.745 365 HG3 LYS 54 2HG LYS 54 4.153 -5.851 7.537 366 HD2 LYS 54 1HD LYS 54 3.313 -7.568 8.841 367 HD3 LYS 54 2HD LYS 54 2.192 -6.507 9.697 368 HE2 LYS 54 1HE LYS 54 0.762 -7.667 8.315 369 HE3 LYS 54 2HE LYS 54 1.099 -6.235 7.345 370 HZ1 LYS 54 3HZ LYS 54 1.852 -7.547 5.749 371 HZ2 LYS 54 1HZ LYS 54 1.551 -8.920 6.691 372 HZ3 LYS 54 2HZ LYS 54 3.054 -8.149 6.777 373 H THR 55 H THR 55 4.356 -2.833 6.615 374 HA THR 55 HA THR 55 6.051 -4.708 5.165 375 HB THR 55 HB THR 55 3.983 -2.730 4.194 376 HG1 THR 55 HG1 THR 55 4.031 -5.515 4.664 377 HG21 THR 55 3HG2 THR 55 5.559 -4.762 2.610 378 HG22 THR 55 1HG2 THR 55 5.771 -3.014 2.532 379 HG23 THR 55 2HG2 THR 55 4.259 -3.744 1.990 380 H TYR 56 H TYR 56 5.658 -1.228 5.626 381 HA TYR 56 HA TYR 56 7.905 -0.636 3.890 382 HB2 TYR 56 1HB TYR 56 6.114 1.129 5.567 383 HB3 TYR 56 2HB TYR 56 7.435 1.736 4.576 384 HD1 TYR 56 HD1 TYR 56 4.621 -0.685 4.079 385 HD2 TYR 56 HD2 TYR 56 6.727 2.712 2.619 386 HE1 TYR 56 HE1 TYR 56 3.114 -0.593 2.138 387 HE2 TYR 56 HE2 TYR 56 5.225 2.814 0.674 388 HH TYR 56 HH TYR 56 3.120 0.287 -0.156 389 H ILE 57 H ILE 57 7.123 0.225 7.265 390 HA ILE 57 HA ILE 57 9.751 0.919 7.971 391 HB ILE 57 HB ILE 57 7.523 -0.032 9.776 392 HG12 ILE 57 1HG1 ILE 57 6.902 1.928 8.426 393 HG13 ILE 57 2HG1 ILE 57 7.071 2.351 10.126 394 HG21 ILE 57 1HG2 ILE 57 9.104 -0.016 11.350 395 HG22 ILE 57 2HG2 ILE 57 10.267 0.776 10.288 396 HG23 ILE 57 3HG2 ILE 57 9.094 1.740 11.185 397 HD11 ILE 57 3HD1 ILE 57 8.670 3.184 7.792 398 HD12 ILE 57 1HD1 ILE 57 8.206 4.084 9.235 399 HD13 ILE 57 2HD1 ILE 57 9.538 2.930 9.305 400 H GLU 58 H GLU 58 7.927 -2.088 8.501 401 HA GLU 58 HA GLU 58 10.466 -3.416 9.180 402 HB2 GLU 58 1HB GLU 58 8.764 -3.478 10.961 403 HB3 GLU 58 2HB GLU 58 7.643 -4.260 9.856 404 HG2 GLU 58 1HG GLU 58 8.456 -6.038 11.062 405 HG3 GLU 58 2HG GLU 58 9.492 -6.056 9.636 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -10.892 -18.553 -12.083 2 HA2 GLY 1 1HA GLY 1 -10.248 -16.166 -11.655 3 HA3 GLY 1 2HA GLY 1 -10.551 -17.070 -10.178 4 H SER 2 H SER 2 -8.191 -15.486 -12.132 5 HA SER 2 HA SER 2 -5.976 -16.367 -10.462 6 HB2 SER 2 1HB SER 2 -4.569 -15.073 -12.004 7 HB3 SER 2 2HB SER 2 -5.631 -16.165 -12.893 8 HG SER 2 HG SER 2 -6.921 -14.449 -13.443 9 H SER 3 H SER 3 -4.904 -15.120 -8.999 10 HA SER 3 HA SER 3 -4.794 -13.574 -7.311 11 HB2 SER 3 1HB SER 3 -4.719 -12.070 -9.885 12 HB3 SER 3 2HB SER 3 -4.826 -11.141 -8.390 13 HG SER 3 HG SER 3 -2.959 -12.322 -7.673 14 H GLY 4 H GLY 4 -7.310 -14.562 -7.348 15 HA2 GLY 4 1HA GLY 4 -9.090 -12.219 -7.208 16 HA3 GLY 4 2HA GLY 4 -9.621 -13.887 -7.366 17 H SER 5 H SER 5 -10.999 -13.759 -5.591 18 HA SER 5 HA SER 5 -9.891 -13.062 -2.996 19 HB2 SER 5 1HB SER 5 -12.674 -14.042 -3.668 20 HB3 SER 5 2HB SER 5 -12.158 -13.282 -2.163 21 HG SER 5 HG SER 5 -13.186 -12.033 -4.118 22 H SER 6 H SER 6 -8.391 -14.735 -2.680 23 HA SER 6 HA SER 6 -9.199 -17.490 -2.776 24 HB2 SER 6 1HB SER 6 -6.878 -16.831 -3.260 25 HB3 SER 6 2HB SER 6 -6.703 -16.228 -1.612 26 HG SER 6 HG SER 6 -5.989 -18.211 -1.335 27 H GLY 7 H GLY 7 -8.236 -15.282 -0.143 28 HA2 GLY 7 1HA GLY 7 -10.227 -15.884 1.646 29 HA3 GLY 7 2HA GLY 7 -9.016 -17.131 1.903 30 H PHE 8 H PHE 8 -7.016 -16.586 2.791 31 HA PHE 8 HA PHE 8 -6.817 -13.842 3.845 32 HB2 PHE 8 1HB PHE 8 -5.946 -16.336 5.314 33 HB3 PHE 8 2HB PHE 8 -5.970 -14.689 5.936 34 HD1 PHE 8 HD2 PHE 8 -8.206 -13.544 6.217 35 HD2 PHE 8 HD1 PHE 8 -7.813 -17.723 5.506 36 HE1 PHE 8 HE2 PHE 8 -10.485 -13.901 7.074 37 HE2 PHE 8 HE1 PHE 8 -10.092 -18.086 6.361 38 HZ PHE 8 HZ PHE 8 -11.430 -16.174 7.147 39 H ASP 9 H ASP 9 -5.077 -12.840 3.110 40 HA ASP 9 HA ASP 9 -2.589 -14.356 2.775 41 HB2 ASP 9 1HB ASP 9 -2.215 -12.890 0.673 42 HB3 ASP 9 2HB ASP 9 -3.269 -14.295 0.540 43 H GLU 10 H GLU 10 -0.761 -13.275 3.345 44 HA GLU 10 HA GLU 10 -1.150 -10.616 4.517 45 HB2 GLU 10 1HB GLU 10 1.126 -12.571 4.887 46 HB3 GLU 10 2HB GLU 10 0.926 -11.049 5.744 47 HG2 GLU 10 1HG GLU 10 -1.021 -13.337 5.884 48 HG3 GLU 10 2HG GLU 10 0.269 -13.051 7.051 49 H ASN 11 H ASN 11 -0.127 -11.919 1.684 50 HA ASN 11 HA ASN 11 1.983 -9.919 1.262 51 HB2 ASN 11 1HB ASN 11 2.700 -11.235 -0.626 52 HB3 ASN 11 2HB ASN 11 2.501 -12.314 0.752 53 HD21 ASN 11 1HD2 ASN 11 2.445 -12.838 -2.138 54 HD22 ASN 11 2HD2 ASN 11 0.928 -13.607 -2.442 55 H TRP 12 H TRP 12 0.606 -8.131 0.986 56 HA TRP 12 HA TRP 12 -1.639 -7.877 -0.544 57 HB2 TRP 12 1HB TRP 12 0.624 -5.968 -0.021 58 HB3 TRP 12 2HB TRP 12 -0.740 -5.494 -1.030 59 HD1 TRP 12 HD1 TRP 12 -1.129 -7.626 2.148 60 HE1 TRP 12 HE1 TRP 12 -2.532 -6.297 3.848 61 HE3 TRP 12 HE3 TRP 12 -1.460 -3.188 -0.367 62 HZ2 TRP 12 HZ2 TRP 12 -3.634 -3.710 4.090 63 HZ3 TRP 12 HZ3 TRP 12 -2.707 -1.336 0.668 64 HH2 TRP 12 HH2 TRP 12 -3.771 -1.594 2.850 65 H GLY 13 H GLY 13 -2.091 -7.282 -2.699 66 HA2 GLY 13 1HA GLY 13 -0.370 -8.539 -4.625 67 HA3 GLY 13 2HA GLY 13 -1.894 -7.730 -4.958 68 H ALA 14 H ALA 14 -0.891 -6.824 -6.837 69 HA ALA 14 HA ALA 14 1.275 -4.930 -6.435 70 HB1 ALA 14 3HB ALA 14 1.491 -4.846 -8.745 71 HB2 ALA 14 1HB ALA 14 0.969 -6.506 -8.455 72 HB3 ALA 14 2HB ALA 14 -0.190 -5.302 -9.019 73 H ASP 15 H ASP 15 -2.165 -4.919 -7.213 74 HA ASP 15 HA ASP 15 -2.374 -2.143 -7.731 75 HB2 ASP 15 1HB ASP 15 -4.045 -3.967 -8.350 76 HB3 ASP 15 2HB ASP 15 -4.594 -3.894 -6.677 77 H GLU 16 H GLU 16 -3.264 -4.050 -4.850 78 HA GLU 16 HA GLU 16 -3.993 -1.916 -3.219 79 HB2 GLU 16 1HB GLU 16 -3.241 -3.542 -1.332 80 HB3 GLU 16 2HB GLU 16 -4.590 -3.988 -2.368 81 HG2 GLU 16 1HG GLU 16 -1.865 -4.859 -3.160 82 HG3 GLU 16 2HG GLU 16 -2.649 -5.675 -1.809 83 H GLU 17 H GLU 17 -0.899 -2.872 -4.316 84 HA GLU 17 HA GLU 17 0.553 -1.590 -2.163 85 HB2 GLU 17 1HB GLU 17 1.262 -3.159 -4.587 86 HB3 GLU 17 2HB GLU 17 2.463 -2.024 -3.984 87 HG2 GLU 17 1HG GLU 17 1.989 -3.177 -1.695 88 HG3 GLU 17 2HG GLU 17 1.370 -4.482 -2.705 89 H LEU 18 H LEU 18 -0.443 -0.883 -5.447 90 HA LEU 18 HA LEU 18 1.150 1.490 -5.686 91 HB2 LEU 18 1HB LEU 18 0.707 0.699 -7.765 92 HB3 LEU 18 2HB LEU 18 -0.880 0.082 -7.310 93 HG LEU 18 HG LEU 18 -1.591 2.561 -7.276 94 HD11 LEU 18 1HD1 LEU 18 1.089 2.954 -7.779 95 HD12 LEU 18 2HD1 LEU 18 -0.197 4.141 -7.996 96 HD13 LEU 18 3HD1 LEU 18 0.339 3.162 -9.362 97 HD21 LEU 18 3HD2 LEU 18 -1.856 0.602 -9.095 98 HD22 LEU 18 1HD2 LEU 18 -0.974 1.790 -10.056 99 HD23 LEU 18 2HD2 LEU 18 -2.512 2.225 -9.311 100 H LEU 19 H LEU 19 -2.204 0.760 -4.867 101 HA LEU 19 HA LEU 19 -3.137 3.423 -4.812 102 HB2 LEU 19 1HB LEU 19 -4.120 1.023 -3.276 103 HB3 LEU 19 2HB LEU 19 -4.999 2.535 -3.488 104 HG LEU 19 HG LEU 19 -4.217 0.726 -5.768 105 HD11 LEU 19 1HD1 LEU 19 -6.013 -0.550 -5.440 106 HD12 LEU 19 2HD1 LEU 19 -7.037 0.837 -5.070 107 HD13 LEU 19 3HD1 LEU 19 -6.046 0.110 -3.805 108 HD21 LEU 19 3HD2 LEU 19 -4.937 3.339 -5.834 109 HD22 LEU 19 1HD2 LEU 19 -6.510 2.551 -5.964 110 HD23 LEU 19 2HD2 LEU 19 -5.242 2.186 -7.134 111 H LEU 20 H LEU 20 -2.105 1.272 -2.164 112 HA LEU 20 HA LEU 20 -2.415 2.877 0.002 113 HB2 LEU 20 1HB LEU 20 -1.537 0.600 0.102 114 HB3 LEU 20 2HB LEU 20 -0.015 1.151 -0.595 115 HG LEU 20 HG LEU 20 0.484 2.424 1.397 116 HD11 LEU 20 1HD1 LEU 20 -2.181 1.460 2.425 117 HD12 LEU 20 2HD1 LEU 20 -1.773 3.117 1.982 118 HD13 LEU 20 3HD1 LEU 20 -0.977 2.351 3.356 119 HD21 LEU 20 3HD2 LEU 20 1.399 0.505 2.052 120 HD22 LEU 20 1HD2 LEU 20 0.071 -0.436 1.373 121 HD23 LEU 20 2HD2 LEU 20 -0.058 0.221 3.005 122 H ILE 21 H ILE 21 0.420 2.892 -2.151 123 HA ILE 21 HA ILE 21 1.780 4.986 -0.856 124 HB ILE 21 HB ILE 21 1.932 4.152 -3.755 125 HG12 ILE 21 1HG1 ILE 21 3.810 3.420 -1.510 126 HG13 ILE 21 2HG1 ILE 21 2.434 2.416 -1.954 127 HG21 ILE 21 1HG2 ILE 21 4.155 5.493 -2.289 128 HG22 ILE 21 2HG2 ILE 21 3.808 5.453 -4.017 129 HG23 ILE 21 3HG2 ILE 21 2.841 6.468 -2.947 130 HD11 ILE 21 3HD1 ILE 21 3.336 2.023 -4.124 131 HD12 ILE 21 1HD1 ILE 21 4.620 3.202 -3.861 132 HD13 ILE 21 2HD1 ILE 21 4.599 1.701 -2.936 133 H ASP 22 H ASP 22 -0.015 5.098 -3.940 134 HA ASP 22 HA ASP 22 0.024 7.746 -4.487 135 HB2 ASP 22 1HB ASP 22 -1.230 5.798 -5.672 136 HB3 ASP 22 2HB ASP 22 -2.598 6.294 -4.678 137 H ALA 23 H ALA 23 -2.161 6.163 -2.187 138 HA ALA 23 HA ALA 23 -3.540 8.546 -1.467 139 HB1 ALA 23 3HB ALA 23 -3.387 6.258 0.424 140 HB2 ALA 23 1HB ALA 23 -4.771 7.242 -0.054 141 HB3 ALA 23 2HB ALA 23 -4.153 5.999 -1.143 142 H CYS 24 H CYS 24 -0.830 6.757 -0.054 143 HA CYS 24 HA CYS 24 -0.528 8.119 2.327 144 HB2 CYS 24 1HB CYS 24 0.879 6.283 2.095 145 HB3 CYS 24 2HB CYS 24 1.403 6.759 0.485 146 HG CYS 24 HG CYS 24 3.612 7.790 1.261 147 H GLU 25 H GLU 25 0.606 9.020 -0.896 148 HA GLU 25 HA GLU 25 1.762 11.488 0.140 149 HB2 GLU 25 1HB GLU 25 1.874 10.026 -2.460 150 HB3 GLU 25 2HB GLU 25 2.182 11.756 -2.458 151 HG2 GLU 25 1HG GLU 25 3.639 9.883 -0.627 152 HG3 GLU 25 2HG GLU 25 4.184 10.203 -2.272 153 H THR 26 H THR 26 -1.041 10.346 -1.555 154 HA THR 26 HA THR 26 -1.861 12.950 -2.481 155 HB THR 26 HB THR 26 -3.235 10.266 -2.445 156 HG1 THR 26 HG1 THR 26 -3.114 10.949 -4.834 157 HG21 THR 26 3HG2 THR 26 -4.951 11.959 -2.117 158 HG22 THR 26 1HG2 THR 26 -5.040 11.316 -3.756 159 HG23 THR 26 2HG2 THR 26 -4.312 12.896 -3.467 160 H LEU 27 H LEU 27 -3.561 10.633 -0.370 161 HA LEU 27 HA LEU 27 -5.083 12.718 0.863 162 HB2 LEU 27 1HB LEU 27 -4.767 9.846 1.718 163 HB3 LEU 27 2HB LEU 27 -6.033 10.960 2.230 164 HG LEU 27 HG LEU 27 -5.658 9.949 -0.588 165 HD11 LEU 27 1HD1 LEU 27 -6.379 8.300 1.269 166 HD12 LEU 27 2HD1 LEU 27 -7.320 8.382 -0.220 167 HD13 LEU 27 3HD1 LEU 27 -7.903 9.188 1.236 168 HD21 LEU 27 3HD2 LEU 27 -6.963 11.677 -1.107 169 HD22 LEU 27 1HD2 LEU 27 -7.252 12.063 0.589 170 HD23 LEU 27 2HD2 LEU 27 -8.251 10.857 -0.224 171 H GLY 28 H GLY 28 -2.357 10.683 1.850 172 HA2 GLY 28 1HA GLY 28 -0.622 11.553 3.255 173 HA3 GLY 28 2HA GLY 28 -1.806 12.625 3.990 174 H LEU 29 H LEU 29 -0.093 9.766 4.335 175 HA LEU 29 HA LEU 29 -1.608 7.931 5.592 176 HB2 LEU 29 1HB LEU 29 1.068 8.979 6.497 177 HB3 LEU 29 2HB LEU 29 0.327 7.502 7.111 178 HG LEU 29 HG LEU 29 1.032 7.937 4.213 179 HD11 LEU 29 1HD1 LEU 29 3.045 6.768 4.546 180 HD12 LEU 29 2HD1 LEU 29 2.602 6.308 6.189 181 HD13 LEU 29 3HD1 LEU 29 2.994 7.987 5.820 182 HD21 LEU 29 3HD2 LEU 29 0.989 5.220 5.062 183 HD22 LEU 29 1HD2 LEU 29 -0.032 6.023 3.869 184 HD23 LEU 29 2HD2 LEU 29 -0.515 5.992 5.565 185 H GLY 30 H GLY 30 -0.727 11.077 6.871 186 HA2 GLY 30 1HA GLY 30 -1.165 11.036 9.501 187 HA3 GLY 30 2HA GLY 30 -1.874 12.290 8.495 188 H ASN 31 H ASN 31 -3.735 10.665 7.102 189 HA ASN 31 HA ASN 31 -5.529 9.844 9.290 190 HB2 ASN 31 1HB ASN 31 -5.981 12.076 7.943 191 HB3 ASN 31 2HB ASN 31 -6.648 10.961 6.755 192 HD21 ASN 31 1HD2 ASN 31 -8.507 9.820 7.230 193 HD22 ASN 31 2HD2 ASN 31 -9.522 10.217 8.570 194 H TRP 32 H TRP 32 -5.207 7.658 9.092 195 HA TRP 32 HA TRP 32 -5.102 6.265 6.635 196 HB2 TRP 32 1HB TRP 32 -5.727 5.308 9.434 197 HB3 TRP 32 2HB TRP 32 -5.492 4.236 8.056 198 HD1 TRP 32 HD1 TRP 32 -3.604 6.151 10.672 199 HE1 TRP 32 HE1 TRP 32 -1.075 5.798 10.350 200 HE3 TRP 32 HE3 TRP 32 -3.676 3.891 6.087 201 HZ2 TRP 32 HZ2 TRP 32 0.660 4.707 8.410 202 HZ3 TRP 32 HZ3 TRP 32 -1.538 3.224 5.067 203 HH2 TRP 32 HH2 TRP 32 0.584 3.625 6.206 204 H ALA 33 H ALA 33 -7.735 7.025 8.853 205 HA ALA 33 HA ALA 33 -9.767 5.429 8.027 206 HB1 ALA 33 3HB ALA 33 -11.122 7.753 8.243 207 HB2 ALA 33 1HB ALA 33 -10.565 6.804 9.621 208 HB3 ALA 33 2HB ALA 33 -9.618 8.181 9.057 209 H ASP 34 H ASP 34 -8.516 8.263 6.331 210 HA ASP 34 HA ASP 34 -10.490 8.144 4.250 211 HB2 ASP 34 1HB ASP 34 -7.958 9.718 4.656 212 HB3 ASP 34 2HB ASP 34 -8.824 9.768 3.123 213 H ILE 35 H ILE 35 -7.094 7.194 4.577 214 HA ILE 35 HA ILE 35 -6.629 6.398 1.945 215 HB ILE 35 HB ILE 35 -5.465 5.268 4.492 216 HG12 ILE 35 1HG1 ILE 35 -4.444 7.367 2.566 217 HG13 ILE 35 2HG1 ILE 35 -5.054 7.665 4.190 218 HG21 ILE 35 1HG2 ILE 35 -5.300 4.205 1.927 219 HG22 ILE 35 2HG2 ILE 35 -3.786 5.079 2.152 220 HG23 ILE 35 3HG2 ILE 35 -4.261 3.827 3.300 221 HD11 ILE 35 3HD1 ILE 35 -2.737 5.832 3.764 222 HD12 ILE 35 1HD1 ILE 35 -2.510 7.581 3.782 223 HD13 ILE 35 2HD1 ILE 35 -3.182 6.763 5.194 224 H ALA 36 H ALA 36 -8.027 4.623 4.661 225 HA ALA 36 HA ALA 36 -8.104 2.063 3.661 226 HB1 ALA 36 3HB ALA 36 -10.367 3.347 5.180 227 HB2 ALA 36 1HB ALA 36 -9.933 1.638 5.135 228 HB3 ALA 36 2HB ALA 36 -8.865 2.799 5.924 229 H ASP 37 H ASP 37 -10.563 4.598 3.183 230 HA ASP 37 HA ASP 37 -12.180 3.055 1.446 231 HB2 ASP 37 1HB ASP 37 -12.764 5.209 2.766 232 HB3 ASP 37 2HB ASP 37 -12.084 6.058 1.381 233 H TYR 38 H TYR 38 -9.202 4.606 0.988 234 HA TYR 38 HA TYR 38 -9.566 4.993 -1.873 235 HB2 TYR 38 1HB TYR 38 -8.259 6.590 -0.387 236 HB3 TYR 38 2HB TYR 38 -7.015 5.348 -0.299 237 HD1 TYR 38 HD1 TYR 38 -5.931 4.579 -2.462 238 HD2 TYR 38 HD2 TYR 38 -8.367 8.058 -2.220 239 HE1 TYR 38 HE1 TYR 38 -4.953 5.402 -4.563 240 HE2 TYR 38 HE2 TYR 38 -7.398 8.890 -4.321 241 HH TYR 38 HH TYR 38 -5.913 8.538 -5.931 242 H VAL 39 H VAL 39 -7.915 2.845 0.362 243 HA VAL 39 HA VAL 39 -6.584 1.402 -1.772 244 HB VAL 39 HB VAL 39 -6.731 0.794 1.184 245 HG11 VAL 39 1HG1 VAL 39 -4.599 -0.277 -0.588 246 HG12 VAL 39 2HG1 VAL 39 -5.302 -0.961 0.879 247 HG13 VAL 39 3HG1 VAL 39 -6.187 -1.039 -0.644 248 HG21 VAL 39 3HG2 VAL 39 -4.720 1.912 1.468 249 HG22 VAL 39 1HG2 VAL 39 -4.323 1.842 -0.249 250 HG23 VAL 39 2HG2 VAL 39 -5.571 2.949 0.323 251 H GLY 40 H GLY 40 -8.638 0.253 0.911 252 HA2 GLY 40 1HA GLY 40 -10.387 -1.245 0.929 253 HA3 GLY 40 2HA GLY 40 -10.522 -1.018 -0.808 254 H ASN 41 H ASN 41 -10.423 -2.910 -1.806 255 HA ASN 41 HA ASN 41 -9.838 -5.039 -2.359 256 HB2 ASN 41 1HB ASN 41 -7.103 -4.560 -1.229 257 HB3 ASN 41 2HB ASN 41 -7.567 -5.410 -2.700 258 HD21 ASN 41 1HD2 ASN 41 -6.141 -2.708 -1.567 259 HD22 ASN 41 2HD2 ASN 41 -6.402 -1.647 -2.905 260 H ALA 42 H ALA 42 -11.196 -5.023 -0.044 261 HA ALA 42 HA ALA 42 -11.707 -6.353 1.733 262 HB1 ALA 42 3HB ALA 42 -9.454 -8.169 1.656 263 HB2 ALA 42 1HB ALA 42 -11.175 -8.493 1.441 264 HB3 ALA 42 2HB ALA 42 -10.196 -7.974 0.068 265 H ARG 43 H ARG 43 -9.788 -4.079 1.891 266 HA ARG 43 HA ARG 43 -8.420 -4.856 4.384 267 HB2 ARG 43 1HB ARG 43 -7.606 -2.578 2.581 268 HB3 ARG 43 2HB ARG 43 -6.701 -3.265 3.923 269 HG2 ARG 43 1HG ARG 43 -7.383 -4.826 1.448 270 HG3 ARG 43 2HG ARG 43 -5.905 -3.876 1.615 271 HD2 ARG 43 1HD ARG 43 -5.240 -5.192 3.537 272 HD3 ARG 43 2HD ARG 43 -6.755 -6.093 3.474 273 HE ARG 43 HE ARG 43 -5.148 -6.223 1.074 274 HH11 ARG 43 1HH1 ARG 43 -5.912 -7.670 4.146 275 HH12 ARG 43 2HH1 ARG 43 -5.318 -9.236 3.704 276 HH21 ARG 43 1HH2 ARG 43 -4.362 -8.280 0.479 277 HH22 ARG 43 2HH2 ARG 43 -4.435 -9.582 1.618 278 H THR 44 H THR 44 -7.842 -2.580 5.561 279 HA THR 44 HA THR 44 -9.896 -0.605 5.479 280 HB THR 44 HB THR 44 -11.076 -2.533 6.605 281 HG1 THR 44 HG1 THR 44 -11.287 -0.060 7.021 282 HG21 THR 44 3HG2 THR 44 -9.147 -1.893 8.839 283 HG22 THR 44 1HG2 THR 44 -9.166 -3.380 7.892 284 HG23 THR 44 2HG2 THR 44 -10.527 -2.987 8.943 285 H LYS 45 H LYS 45 -9.584 1.082 7.069 286 HA LYS 45 HA LYS 45 -7.121 2.070 7.377 287 HB2 LYS 45 1HB LYS 45 -7.921 3.180 9.507 288 HB3 LYS 45 2HB LYS 45 -8.955 3.392 8.100 289 HG2 LYS 45 1HG LYS 45 -10.380 1.538 8.947 290 HG3 LYS 45 2HG LYS 45 -9.396 1.517 10.412 291 HD2 LYS 45 1HD LYS 45 -10.061 3.731 10.984 292 HD3 LYS 45 2HD LYS 45 -10.819 3.977 9.408 293 HE2 LYS 45 1HE LYS 45 -12.650 2.695 9.940 294 HE3 LYS 45 2HE LYS 45 -11.768 1.735 11.127 295 HZ1 LYS 45 3HZ LYS 45 -12.887 4.453 11.431 296 HZ2 LYS 45 1HZ LYS 45 -11.679 3.879 12.467 297 HZ3 LYS 45 2HZ LYS 45 -13.169 3.082 12.382 298 H GLU 46 H GLU 46 -8.622 -0.173 9.691 299 HA GLU 46 HA GLU 46 -6.530 -0.294 11.529 300 HB2 GLU 46 1HB GLU 46 -8.505 -2.445 10.746 301 HB3 GLU 46 2HB GLU 46 -7.475 -2.502 12.169 302 HG2 GLU 46 1HG GLU 46 -8.678 -0.914 13.281 303 HG3 GLU 46 2HG GLU 46 -9.235 -0.140 11.799 304 H GLU 47 H GLU 47 -7.099 -2.183 8.590 305 HA GLU 47 HA GLU 47 -4.694 -3.739 8.966 306 HB2 GLU 47 1HB GLU 47 -6.711 -3.580 6.727 307 HB3 GLU 47 2HB GLU 47 -5.282 -4.602 6.655 308 HG2 GLU 47 1HG GLU 47 -7.605 -5.526 7.471 309 HG3 GLU 47 2HG GLU 47 -6.088 -6.085 8.173 310 H CYS 48 H CYS 48 -5.808 -1.580 6.349 311 HA CYS 48 HA CYS 48 -3.584 -1.301 4.864 312 HB2 CYS 48 1HB CYS 48 -5.367 0.975 5.757 313 HB3 CYS 48 2HB CYS 48 -4.274 1.025 4.378 314 HG CYS 48 HG CYS 48 -5.710 -1.297 3.248 315 H ARG 49 H ARG 49 -4.164 0.312 7.959 316 HA ARG 49 HA ARG 49 -1.813 1.875 7.960 317 HB2 ARG 49 1HB ARG 49 -3.731 2.325 9.435 318 HB3 ARG 49 2HB ARG 49 -3.409 0.831 10.306 319 HG2 ARG 49 1HG ARG 49 -1.308 1.688 11.102 320 HG3 ARG 49 2HG ARG 49 -1.491 3.143 10.120 321 HD2 ARG 49 1HD ARG 49 -2.083 3.665 12.387 322 HD3 ARG 49 2HD ARG 49 -3.545 3.684 11.402 323 HE ARG 49 HE ARG 49 -2.870 1.789 13.495 324 HH11 ARG 49 1HH1 ARG 49 -4.962 2.620 10.839 325 HH12 ARG 49 2HH1 ARG 49 -6.244 1.573 11.351 326 HH21 ARG 49 1HH2 ARG 49 -4.552 0.408 14.180 327 HH22 ARG 49 2HH2 ARG 49 -6.010 0.316 13.252 328 H ASP 50 H ASP 50 -2.447 -0.847 10.163 329 HA ASP 50 HA ASP 50 0.155 -1.322 10.917 330 HB2 ASP 50 1HB ASP 50 -2.249 -3.108 10.716 331 HB3 ASP 50 2HB ASP 50 -0.693 -3.770 11.211 332 H HIS 51 H HIS 51 -1.337 -1.991 7.898 333 HA HIS 51 HA HIS 51 0.435 -4.060 7.043 334 HB2 HIS 51 1HB HIS 51 -1.557 -4.060 5.849 335 HB3 HIS 51 2HB HIS 51 -1.588 -2.306 5.700 336 HD1 HIS 51 HD1 HIS 51 0.780 -5.041 4.488 337 HD2 HIS 51 HD2 HIS 51 -1.125 -1.602 3.145 338 HE1 HIS 51 HE1 HIS 51 1.481 -4.779 2.088 339 HE2 HIS 51 HE2 HIS 51 0.384 -2.645 1.321 340 H TYR 52 H TYR 52 0.350 -0.550 6.686 341 HA TYR 52 HA TYR 52 2.647 -0.466 4.965 342 HB2 TYR 52 1HB TYR 52 0.871 1.265 4.911 343 HB3 TYR 52 2HB TYR 52 1.344 1.773 6.528 344 HD1 TYR 52 HD2 TYR 52 3.909 2.389 6.773 345 HD2 TYR 52 HD1 TYR 52 1.758 2.396 3.102 346 HE1 TYR 52 HE2 TYR 52 5.570 3.924 5.809 347 HE2 TYR 52 HE1 TYR 52 3.414 3.930 2.128 348 HH TYR 52 HH TYR 52 5.079 5.670 3.052 349 H LEU 53 H LEU 53 2.075 -0.429 8.380 350 HA LEU 53 HA LEU 53 4.738 0.546 9.004 351 HB2 LEU 53 1HB LEU 53 2.437 -0.377 10.710 352 HB3 LEU 53 2HB LEU 53 4.003 0.089 11.371 353 HG LEU 53 HG LEU 53 2.300 1.948 9.724 354 HD11 LEU 53 1HD1 LEU 53 2.244 1.338 12.650 355 HD12 LEU 53 2HD1 LEU 53 0.905 1.598 11.533 356 HD13 LEU 53 3HD1 LEU 53 1.881 2.964 12.071 357 HD21 LEU 53 3HD2 LEU 53 4.864 2.122 11.187 358 HD22 LEU 53 1HD2 LEU 53 3.773 3.501 11.329 359 HD23 LEU 53 2HD2 LEU 53 4.320 2.970 9.738 360 H LYS 54 H LYS 54 3.160 -2.436 8.460 361 HA LYS 54 HA LYS 54 5.287 -3.939 9.813 362 HB2 LYS 54 1HB LYS 54 3.866 -5.780 9.880 363 HB3 LYS 54 2HB LYS 54 2.760 -4.433 10.111 364 HG2 LYS 54 1HG LYS 54 1.596 -5.588 8.549 365 HG3 LYS 54 2HG LYS 54 2.591 -4.605 7.472 366 HD2 LYS 54 1HD LYS 54 2.649 -6.874 6.696 367 HD3 LYS 54 2HD LYS 54 4.228 -6.480 7.380 368 HE2 LYS 54 1HE LYS 54 3.943 -7.862 9.182 369 HE3 LYS 54 2HE LYS 54 2.188 -7.701 9.165 370 HZ1 LYS 54 3HZ LYS 54 3.338 -9.018 6.853 371 HZ2 LYS 54 1HZ LYS 54 1.961 -9.413 7.752 372 HZ3 LYS 54 2HZ LYS 54 3.493 -9.863 8.310 373 H THR 55 H THR 55 4.089 -3.048 6.705 374 HA THR 55 HA THR 55 5.570 -5.112 5.302 375 HB THR 55 HB THR 55 3.909 -2.791 4.316 376 HG1 THR 55 HG1 THR 55 3.422 -5.522 3.814 377 HG21 THR 55 3HG2 THR 55 5.308 -4.916 2.688 378 HG22 THR 55 1HG2 THR 55 5.757 -3.213 2.753 379 HG23 THR 55 2HG2 THR 55 4.205 -3.690 2.065 380 H TYR 56 H TYR 56 5.535 -1.550 5.064 381 HA TYR 56 HA TYR 56 7.994 -1.350 3.734 382 HB2 TYR 56 1HB TYR 56 6.361 0.599 5.340 383 HB3 TYR 56 2HB TYR 56 7.920 1.060 4.667 384 HD1 TYR 56 HD1 TYR 56 4.456 0.150 3.884 385 HD2 TYR 56 HD2 TYR 56 8.212 1.342 2.279 386 HE1 TYR 56 HE1 TYR 56 3.371 0.657 1.736 387 HE2 TYR 56 HE2 TYR 56 7.137 1.853 0.127 388 HH TYR 56 HH TYR 56 5.220 1.988 -0.988 389 H ILE 57 H ILE 57 7.400 -0.237 7.066 390 HA ILE 57 HA ILE 57 10.045 -0.064 7.849 391 HB ILE 57 HB ILE 57 7.728 -0.823 9.632 392 HG12 ILE 57 1HG1 ILE 57 7.046 1.164 8.578 393 HG13 ILE 57 2HG1 ILE 57 7.778 1.714 10.081 394 HG21 ILE 57 1HG2 ILE 57 10.244 -0.948 10.382 395 HG22 ILE 57 2HG2 ILE 57 10.060 0.800 10.520 396 HG23 ILE 57 3HG2 ILE 57 9.012 -0.273 11.448 397 HD11 ILE 57 3HD1 ILE 57 8.748 1.986 7.286 398 HD12 ILE 57 1HD1 ILE 57 8.691 3.176 8.586 399 HD13 ILE 57 2HD1 ILE 57 9.924 1.915 8.598 400 H GLU 58 H GLU 58 7.827 -2.735 8.688 401 HA GLU 58 HA GLU 58 10.107 -4.430 9.312 402 HB2 GLU 58 1HB GLU 58 7.131 -4.736 9.647 403 HB3 GLU 58 2HB GLU 58 8.230 -6.086 9.891 404 HG2 GLU 58 1HG GLU 58 8.663 -3.505 11.331 405 HG3 GLU 58 2HG GLU 58 7.481 -4.675 11.917 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.467 -22.395 -14.056 2 HA2 GLY 1 1HA GLY 1 -1.796 -19.812 -13.918 3 HA3 GLY 1 2HA GLY 1 -1.922 -20.983 -15.222 4 H SER 2 H SER 2 -4.206 -20.602 -15.208 5 HA SER 2 HA SER 2 -6.369 -20.806 -14.427 6 HB2 SER 2 1HB SER 2 -6.889 -23.222 -13.930 7 HB3 SER 2 2HB SER 2 -6.011 -22.957 -15.436 8 HG SER 2 HG SER 2 -4.086 -23.500 -14.286 9 H SER 3 H SER 3 -4.871 -19.563 -12.462 10 HA SER 3 HA SER 3 -4.722 -20.636 -9.954 11 HB2 SER 3 1HB SER 3 -5.001 -18.366 -9.076 12 HB3 SER 3 2HB SER 3 -3.992 -18.347 -10.522 13 HG SER 3 HG SER 3 -5.374 -16.974 -11.283 14 H GLY 4 H GLY 4 -6.092 -21.220 -8.361 15 HA2 GLY 4 1HA GLY 4 -8.926 -21.322 -9.022 16 HA3 GLY 4 2HA GLY 4 -8.136 -22.145 -7.685 17 H SER 5 H SER 5 -8.479 -21.364 -5.715 18 HA SER 5 HA SER 5 -9.561 -18.634 -5.488 19 HB2 SER 5 1HB SER 5 -10.134 -21.173 -4.011 20 HB3 SER 5 2HB SER 5 -10.340 -19.635 -3.174 21 HG SER 5 HG SER 5 -12.231 -19.711 -4.114 22 H SER 6 H SER 6 -7.841 -17.367 -5.059 23 HA SER 6 HA SER 6 -5.559 -18.103 -3.613 24 HB2 SER 6 1HB SER 6 -5.819 -16.105 -5.154 25 HB3 SER 6 2HB SER 6 -6.643 -15.289 -3.824 26 HG SER 6 HG SER 6 -4.181 -16.460 -3.266 27 H GLY 7 H GLY 7 -8.384 -16.195 -2.567 28 HA2 GLY 7 1HA GLY 7 -9.383 -16.097 -0.482 29 HA3 GLY 7 2HA GLY 7 -8.246 -17.314 0.078 30 H PHE 8 H PHE 8 -7.238 -16.553 1.813 31 HA PHE 8 HA PHE 8 -6.529 -13.713 1.926 32 HB2 PHE 8 1HB PHE 8 -6.757 -15.866 4.020 33 HB3 PHE 8 2HB PHE 8 -5.958 -14.333 4.355 34 HD1 PHE 8 HD1 PHE 8 -9.081 -15.278 2.541 35 HD2 PHE 8 HD2 PHE 8 -7.284 -12.980 5.641 36 HE1 PHE 8 HE1 PHE 8 -11.262 -14.257 3.045 37 HE2 PHE 8 HE2 PHE 8 -9.462 -11.956 6.150 38 HZ PHE 8 HZ PHE 8 -11.455 -12.595 4.852 39 H ASP 9 H ASP 9 -4.728 -13.706 0.567 40 HA ASP 9 HA ASP 9 -2.488 -15.455 1.176 41 HB2 ASP 9 1HB ASP 9 -3.283 -14.688 -1.183 42 HB3 ASP 9 2HB ASP 9 -2.397 -13.210 -0.817 43 H GLU 10 H GLU 10 -0.576 -14.841 2.085 44 HA GLU 10 HA GLU 10 -0.612 -12.401 3.631 45 HB2 GLU 10 1HB GLU 10 0.280 -14.748 4.331 46 HB3 GLU 10 2HB GLU 10 1.736 -14.260 3.475 47 HG2 GLU 10 1HG GLU 10 2.196 -12.548 4.970 48 HG3 GLU 10 2HG GLU 10 0.540 -12.497 5.571 49 H ASN 11 H ASN 11 -0.624 -11.676 1.027 50 HA ASN 11 HA ASN 11 1.785 -10.135 0.825 51 HB2 ASN 11 1HB ASN 11 1.231 -12.304 -1.206 52 HB3 ASN 11 2HB ASN 11 2.328 -10.958 -1.499 53 HD21 ASN 11 1HD2 ASN 11 2.254 -14.081 -0.691 54 HD22 ASN 11 2HD2 ASN 11 3.695 -14.198 0.254 55 H TRP 12 H TRP 12 0.913 -8.211 0.441 56 HA TRP 12 HA TRP 12 -1.595 -7.732 -0.681 57 HB2 TRP 12 1HB TRP 12 0.813 -6.047 -0.144 58 HB3 TRP 12 2HB TRP 12 -0.484 -5.375 -1.128 59 HD1 TRP 12 HD1 TRP 12 -0.713 -7.505 2.113 60 HE1 TRP 12 HE1 TRP 12 -2.154 -6.209 3.807 61 HE3 TRP 12 HE3 TRP 12 -1.543 -3.259 -0.610 62 HZ2 TRP 12 HZ2 TRP 12 -3.469 -3.716 3.966 63 HZ3 TRP 12 HZ3 TRP 12 -2.903 -1.466 0.385 64 HH2 TRP 12 HH2 TRP 12 -3.846 -1.692 2.626 65 H GLY 13 H GLY 13 -2.290 -7.104 -2.717 66 HA2 GLY 13 1HA GLY 13 -0.700 -8.116 -4.909 67 HA3 GLY 13 2HA GLY 13 -2.340 -7.491 -5.007 68 H ALA 14 H ALA 14 0.003 -6.970 -6.713 69 HA ALA 14 HA ALA 14 1.342 -4.651 -6.426 70 HB1 ALA 14 3HB ALA 14 1.788 -4.897 -8.593 71 HB2 ALA 14 1HB ALA 14 0.686 -6.274 -8.570 72 HB3 ALA 14 2HB ALA 14 0.096 -4.679 -9.042 73 H ASP 15 H ASP 15 -2.068 -4.911 -7.368 74 HA ASP 15 HA ASP 15 -2.540 -2.176 -7.777 75 HB2 ASP 15 1HB ASP 15 -4.025 -4.272 -8.286 76 HB3 ASP 15 2HB ASP 15 -4.667 -3.977 -6.672 77 H GLU 16 H GLU 16 -3.753 -4.053 -5.000 78 HA GLU 16 HA GLU 16 -4.334 -1.879 -3.379 79 HB2 GLU 16 1HB GLU 16 -4.372 -3.444 -1.518 80 HB3 GLU 16 2HB GLU 16 -5.110 -4.174 -2.937 81 HG2 GLU 16 1HG GLU 16 -3.186 -5.514 -3.344 82 HG3 GLU 16 2HG GLU 16 -2.259 -4.655 -2.115 83 H GLU 17 H GLU 17 -1.298 -3.108 -4.281 84 HA GLU 17 HA GLU 17 0.117 -2.126 -1.955 85 HB2 GLU 17 1HB GLU 17 0.845 -3.590 -4.441 86 HB3 GLU 17 2HB GLU 17 2.105 -2.646 -3.658 87 HG2 GLU 17 1HG GLU 17 1.264 -3.920 -1.517 88 HG3 GLU 17 2HG GLU 17 0.690 -5.080 -2.713 89 H LEU 18 H LEU 18 -0.614 -1.084 -5.210 90 HA LEU 18 HA LEU 18 1.245 1.106 -5.194 91 HB2 LEU 18 1HB LEU 18 0.850 0.508 -7.348 92 HB3 LEU 18 2HB LEU 18 -0.819 0.040 -7.025 93 HG LEU 18 HG LEU 18 -1.260 2.578 -6.846 94 HD11 LEU 18 1HD1 LEU 18 1.516 2.484 -7.882 95 HD12 LEU 18 2HD1 LEU 18 0.723 3.685 -6.864 96 HD13 LEU 18 3HD1 LEU 18 0.413 3.658 -8.600 97 HD21 LEU 18 3HD2 LEU 18 -0.573 1.936 -9.641 98 HD22 LEU 18 1HD2 LEU 18 -2.098 2.473 -8.937 99 HD23 LEU 18 2HD2 LEU 18 -1.620 0.780 -8.816 100 H LEU 19 H LEU 19 -2.297 0.829 -4.964 101 HA LEU 19 HA LEU 19 -3.006 3.458 -4.721 102 HB2 LEU 19 1HB LEU 19 -4.081 0.988 -3.407 103 HB3 LEU 19 2HB LEU 19 -4.796 2.568 -3.092 104 HG LEU 19 HG LEU 19 -5.849 1.029 -4.885 105 HD11 LEU 19 1HD1 LEU 19 -5.451 3.917 -4.776 106 HD12 LEU 19 2HD1 LEU 19 -6.928 2.981 -5.000 107 HD13 LEU 19 3HD1 LEU 19 -5.884 3.322 -6.379 108 HD21 LEU 19 3HD2 LEU 19 -3.417 2.079 -6.307 109 HD22 LEU 19 1HD2 LEU 19 -4.873 1.569 -7.163 110 HD23 LEU 19 2HD2 LEU 19 -3.978 0.412 -6.177 111 H LEU 20 H LEU 20 -2.047 1.311 -2.044 112 HA LEU 20 HA LEU 20 -2.270 2.901 0.120 113 HB2 LEU 20 1HB LEU 20 -1.344 0.625 0.143 114 HB3 LEU 20 2HB LEU 20 0.161 1.242 -0.535 115 HG LEU 20 HG LEU 20 0.544 2.542 1.507 116 HD11 LEU 20 1HD1 LEU 20 -2.008 1.242 2.444 117 HD12 LEU 20 2HD1 LEU 20 -1.724 2.964 2.193 118 HD13 LEU 20 3HD1 LEU 20 -0.878 2.109 3.483 119 HD21 LEU 20 3HD2 LEU 20 1.525 0.798 2.522 120 HD22 LEU 20 1HD2 LEU 20 0.916 -0.126 1.149 121 HD23 LEU 20 2HD2 LEU 20 0.014 -0.102 2.664 122 H ILE 21 H ILE 21 0.498 2.973 -2.117 123 HA ILE 21 HA ILE 21 1.873 5.072 -0.849 124 HB ILE 21 HB ILE 21 1.928 4.266 -3.760 125 HG12 ILE 21 1HG1 ILE 21 3.956 3.574 -1.645 126 HG13 ILE 21 2HG1 ILE 21 2.544 2.562 -1.926 127 HG21 ILE 21 1HG2 ILE 21 3.028 6.529 -2.522 128 HG22 ILE 21 2HG2 ILE 21 4.367 5.410 -2.773 129 HG23 ILE 21 3HG2 ILE 21 3.370 5.912 -4.139 130 HD11 ILE 21 3HD1 ILE 21 4.202 3.283 -4.270 131 HD12 ILE 21 1HD1 ILE 21 4.861 2.122 -3.117 132 HD13 ILE 21 2HD1 ILE 21 3.321 1.797 -3.914 133 H ASP 22 H ASP 22 -0.010 5.208 -3.880 134 HA ASP 22 HA ASP 22 -0.032 7.870 -4.367 135 HB2 ASP 22 1HB ASP 22 -1.284 5.895 -5.547 136 HB3 ASP 22 2HB ASP 22 -2.642 6.409 -4.550 137 H ALA 23 H ALA 23 -2.160 6.187 -2.081 138 HA ALA 23 HA ALA 23 -3.590 8.502 -1.281 139 HB1 ALA 23 3HB ALA 23 -3.452 6.451 0.760 140 HB2 ALA 23 1HB ALA 23 -4.838 7.042 -0.157 141 HB3 ALA 23 2HB ALA 23 -3.808 5.779 -0.832 142 H CYS 24 H CYS 24 -0.894 6.720 0.209 143 HA CYS 24 HA CYS 24 -0.559 8.132 2.527 144 HB2 CYS 24 1HB CYS 24 0.839 6.257 2.174 145 HB3 CYS 24 2HB CYS 24 1.472 6.910 0.668 146 HG CYS 24 HG CYS 24 2.971 8.920 1.905 147 H GLU 25 H GLU 25 0.490 9.047 -0.715 148 HA GLU 25 HA GLU 25 1.635 11.533 0.291 149 HB2 GLU 25 1HB GLU 25 1.568 10.260 -2.443 150 HB3 GLU 25 2HB GLU 25 2.192 11.880 -2.165 151 HG2 GLU 25 1HG GLU 25 3.242 9.484 -0.697 152 HG3 GLU 25 2HG GLU 25 3.878 9.995 -2.260 153 H THR 26 H THR 26 -1.178 10.348 -1.371 154 HA THR 26 HA THR 26 -2.065 12.953 -2.235 155 HB THR 26 HB THR 26 -3.449 10.268 -2.215 156 HG1 THR 26 HG1 THR 26 -2.417 11.867 -4.341 157 HG21 THR 26 3HG2 THR 26 -5.391 11.248 -2.701 158 HG22 THR 26 1HG2 THR 26 -4.638 12.211 -3.972 159 HG23 THR 26 2HG2 THR 26 -4.654 12.801 -2.310 160 H LEU 27 H LEU 27 -3.690 10.542 -0.170 161 HA LEU 27 HA LEU 27 -5.261 12.552 1.122 162 HB2 LEU 27 1HB LEU 27 -4.848 9.682 1.942 163 HB3 LEU 27 2HB LEU 27 -6.160 10.746 2.444 164 HG LEU 27 HG LEU 27 -5.713 9.753 -0.371 165 HD11 LEU 27 1HD1 LEU 27 -6.997 8.549 1.933 166 HD12 LEU 27 2HD1 LEU 27 -6.609 7.852 0.360 167 HD13 LEU 27 3HD1 LEU 27 -8.109 8.755 0.578 168 HD21 LEU 27 3HD2 LEU 27 -7.926 11.360 0.897 169 HD22 LEU 27 1HD2 LEU 27 -8.023 10.616 -0.700 170 HD23 LEU 27 2HD2 LEU 27 -6.829 11.875 -0.385 171 H GLY 28 H GLY 28 -2.510 10.528 2.094 172 HA2 GLY 28 1HA GLY 28 -0.774 11.417 3.493 173 HA3 GLY 28 2HA GLY 28 -1.966 12.473 4.236 174 H LEU 29 H LEU 29 -0.186 9.687 4.621 175 HA LEU 29 HA LEU 29 -1.688 7.806 5.853 176 HB2 LEU 29 1HB LEU 29 0.980 8.895 6.725 177 HB3 LEU 29 2HB LEU 29 0.259 7.431 7.392 178 HG LEU 29 HG LEU 29 0.775 7.702 4.449 179 HD11 LEU 29 1HD1 LEU 29 2.721 6.863 6.588 180 HD12 LEU 29 2HD1 LEU 29 2.905 8.167 5.416 181 HD13 LEU 29 3HD1 LEU 29 2.915 6.488 4.876 182 HD21 LEU 29 3HD2 LEU 29 0.951 5.195 6.050 183 HD22 LEU 29 1HD2 LEU 29 0.470 5.430 4.369 184 HD23 LEU 29 2HD2 LEU 29 -0.638 5.861 5.673 185 H GLY 30 H GLY 30 -0.904 10.979 7.104 186 HA2 GLY 30 1HA GLY 30 -1.347 10.889 9.756 187 HA3 GLY 30 2HA GLY 30 -2.014 12.170 8.755 188 H ASN 31 H ASN 31 -3.819 10.435 7.297 189 HA ASN 31 HA ASN 31 -5.679 9.636 9.431 190 HB2 ASN 31 1HB ASN 31 -6.370 11.835 8.616 191 HB3 ASN 31 2HB ASN 31 -6.368 11.240 6.958 192 HD21 ASN 31 1HD2 ASN 31 -8.534 12.407 8.497 193 HD22 ASN 31 2HD2 ASN 31 -9.799 11.231 8.523 194 H TRP 32 H TRP 32 -5.310 7.457 9.114 195 HA TRP 32 HA TRP 32 -5.166 6.147 6.647 196 HB2 TRP 32 1HB TRP 32 -5.967 5.178 9.390 197 HB3 TRP 32 2HB TRP 32 -5.842 4.100 8.003 198 HD1 TRP 32 HD1 TRP 32 -3.809 5.557 10.732 199 HE1 TRP 32 HE1 TRP 32 -1.315 5.031 10.374 200 HE3 TRP 32 HE3 TRP 32 -4.014 3.895 5.902 201 HZ2 TRP 32 HZ2 TRP 32 0.346 4.043 8.317 202 HZ3 TRP 32 HZ3 TRP 32 -1.929 3.178 4.811 203 HH2 TRP 32 HH2 TRP 32 0.205 3.252 5.995 204 H ALA 33 H ALA 33 -7.938 6.807 8.750 205 HA ALA 33 HA ALA 33 -9.956 5.379 7.699 206 HB1 ALA 33 3HB ALA 33 -10.957 6.717 9.172 207 HB2 ALA 33 1HB ALA 33 -9.754 7.988 8.953 208 HB3 ALA 33 2HB ALA 33 -11.128 7.876 7.853 209 H ASP 34 H ASP 34 -8.482 8.210 6.188 210 HA ASP 34 HA ASP 34 -10.299 8.249 3.972 211 HB2 ASP 34 1HB ASP 34 -7.661 9.621 4.494 212 HB3 ASP 34 2HB ASP 34 -8.567 9.836 2.999 213 H ILE 35 H ILE 35 -7.066 6.970 4.560 214 HA ILE 35 HA ILE 35 -6.477 6.229 1.906 215 HB ILE 35 HB ILE 35 -5.488 4.986 4.475 216 HG12 ILE 35 1HG1 ILE 35 -4.203 7.089 2.721 217 HG13 ILE 35 2HG1 ILE 35 -5.055 7.432 4.222 218 HG21 ILE 35 1HG2 ILE 35 -3.882 4.929 1.989 219 HG22 ILE 35 2HG2 ILE 35 -3.987 3.755 3.300 220 HG23 ILE 35 3HG2 ILE 35 -5.261 3.834 2.083 221 HD11 ILE 35 3HD1 ILE 35 -2.861 5.452 4.331 222 HD12 ILE 35 1HD1 ILE 35 -2.425 7.146 4.103 223 HD13 ILE 35 2HD1 ILE 35 -3.365 6.659 5.514 224 H ALA 36 H ALA 36 -7.976 4.446 4.580 225 HA ALA 36 HA ALA 36 -8.158 1.924 3.536 226 HB1 ALA 36 3HB ALA 36 -10.212 3.428 5.149 227 HB2 ALA 36 1HB ALA 36 -10.269 1.692 4.839 228 HB3 ALA 36 2HB ALA 36 -8.928 2.381 5.755 229 H ASP 37 H ASP 37 -10.409 4.615 2.952 230 HA ASP 37 HA ASP 37 -12.062 3.140 1.163 231 HB2 ASP 37 1HB ASP 37 -12.561 5.328 2.513 232 HB3 ASP 37 2HB ASP 37 -11.882 6.132 1.101 233 H TYR 38 H TYR 38 -9.029 4.640 0.838 234 HA TYR 38 HA TYR 38 -9.273 5.087 -2.022 235 HB2 TYR 38 1HB TYR 38 -7.938 6.562 -0.406 236 HB3 TYR 38 2HB TYR 38 -6.738 5.274 -0.402 237 HD1 TYR 38 HD1 TYR 38 -5.495 4.731 -2.464 238 HD2 TYR 38 HD2 TYR 38 -8.187 8.021 -2.291 239 HE1 TYR 38 HE1 TYR 38 -4.493 5.651 -4.513 240 HE2 TYR 38 HE2 TYR 38 -7.193 8.950 -4.340 241 HH TYR 38 HH TYR 38 -5.917 8.063 -6.333 242 H VAL 39 H VAL 39 -7.831 2.793 0.204 243 HA VAL 39 HA VAL 39 -6.500 1.348 -1.939 244 HB VAL 39 HB VAL 39 -6.692 0.747 1.016 245 HG11 VAL 39 1HG1 VAL 39 -6.394 -1.255 -0.461 246 HG12 VAL 39 2HG1 VAL 39 -4.879 -0.540 -1.017 247 HG13 VAL 39 3HG1 VAL 39 -5.079 -0.976 0.681 248 HG21 VAL 39 3HG2 VAL 39 -4.467 1.578 1.191 249 HG22 VAL 39 1HG2 VAL 39 -4.319 1.726 -0.560 250 HG23 VAL 39 2HG2 VAL 39 -5.407 2.794 0.327 251 H GLY 40 H GLY 40 -8.600 0.211 0.711 252 HA2 GLY 40 1HA GLY 40 -10.450 -1.169 0.663 253 HA3 GLY 40 2HA GLY 40 -10.493 -0.976 -1.083 254 H ASN 41 H ASN 41 -10.369 -2.865 -2.077 255 HA ASN 41 HA ASN 41 -9.887 -5.050 -2.520 256 HB2 ASN 41 1HB ASN 41 -7.161 -4.573 -1.351 257 HB3 ASN 41 2HB ASN 41 -7.608 -5.528 -2.762 258 HD21 ASN 41 1HD2 ASN 41 -6.297 -2.673 -1.731 259 HD22 ASN 41 2HD2 ASN 41 -6.459 -1.752 -3.183 260 H ALA 42 H ALA 42 -11.171 -4.701 -0.068 261 HA ALA 42 HA ALA 42 -11.796 -6.025 1.690 262 HB1 ALA 42 3HB ALA 42 -10.339 -7.770 0.111 263 HB2 ALA 42 1HB ALA 42 -9.599 -7.916 1.705 264 HB3 ALA 42 2HB ALA 42 -11.330 -8.195 1.506 265 H ARG 43 H ARG 43 -9.771 -3.825 1.758 266 HA ARG 43 HA ARG 43 -8.456 -4.542 4.296 267 HB2 ARG 43 1HB ARG 43 -7.579 -2.368 2.395 268 HB3 ARG 43 2HB ARG 43 -6.704 -2.988 3.789 269 HG2 ARG 43 1HG ARG 43 -7.373 -4.671 1.390 270 HG3 ARG 43 2HG ARG 43 -5.876 -3.749 1.544 271 HD2 ARG 43 1HD ARG 43 -5.147 -5.029 3.371 272 HD3 ARG 43 2HD ARG 43 -6.756 -5.692 3.655 273 HE ARG 43 HE ARG 43 -5.824 -6.446 1.095 274 HH11 ARG 43 1HH1 ARG 43 -5.349 -7.105 4.481 275 HH12 ARG 43 2HH1 ARG 43 -4.815 -8.733 4.222 276 HH21 ARG 43 1HH2 ARG 43 -5.123 -8.588 0.743 277 HH22 ARG 43 2HH2 ARG 43 -4.687 -9.575 2.096 278 H THR 44 H THR 44 -7.895 -2.371 5.527 279 HA THR 44 HA THR 44 -9.951 -0.350 5.337 280 HB THR 44 HB THR 44 -10.823 -0.639 7.596 281 HG1 THR 44 HG1 THR 44 -10.274 -2.693 8.662 282 HG21 THR 44 3HG2 THR 44 -12.090 -2.738 7.255 283 HG22 THR 44 1HG2 THR 44 -11.010 -3.146 5.923 284 HG23 THR 44 2HG2 THR 44 -12.049 -1.726 5.811 285 H LYS 45 H LYS 45 -9.734 0.984 7.615 286 HA LYS 45 HA LYS 45 -7.197 2.204 7.465 287 HB2 LYS 45 1HB LYS 45 -7.947 3.428 9.529 288 HB3 LYS 45 2HB LYS 45 -9.059 3.522 8.169 289 HG2 LYS 45 1HG LYS 45 -10.440 1.773 9.188 290 HG3 LYS 45 2HG LYS 45 -9.332 1.711 10.561 291 HD2 LYS 45 1HD LYS 45 -9.819 4.085 11.024 292 HD3 LYS 45 2HD LYS 45 -10.974 4.090 9.690 293 HE2 LYS 45 1HE LYS 45 -11.246 2.046 11.846 294 HE3 LYS 45 2HE LYS 45 -11.771 3.700 12.160 295 HZ1 LYS 45 3HZ LYS 45 -13.344 1.866 11.084 296 HZ2 LYS 45 1HZ LYS 45 -12.678 2.507 9.666 297 HZ3 LYS 45 2HZ LYS 45 -13.500 3.517 10.746 298 H GLU 46 H GLU 46 -8.564 -0.182 9.666 299 HA GLU 46 HA GLU 46 -6.412 -0.146 11.522 300 HB2 GLU 46 1HB GLU 46 -8.566 -2.178 10.945 301 HB3 GLU 46 2HB GLU 46 -7.375 -2.385 12.222 302 HG2 GLU 46 1HG GLU 46 -9.050 0.086 12.101 303 HG3 GLU 46 2HG GLU 46 -9.692 -1.403 12.791 304 H GLU 47 H GLU 47 -7.076 -1.932 8.577 305 HA GLU 47 HA GLU 47 -4.814 -3.698 8.936 306 HB2 GLU 47 1HB GLU 47 -6.929 -3.347 6.850 307 HB3 GLU 47 2HB GLU 47 -5.464 -4.229 6.443 308 HG2 GLU 47 1HG GLU 47 -5.927 -5.651 8.490 309 HG3 GLU 47 2HG GLU 47 -7.522 -4.902 8.518 310 H CYS 48 H CYS 48 -5.704 -1.384 6.367 311 HA CYS 48 HA CYS 48 -3.372 -1.236 4.993 312 HB2 CYS 48 1HB CYS 48 -5.092 1.139 5.735 313 HB3 CYS 48 2HB CYS 48 -3.965 1.065 4.386 314 HG CYS 48 HG CYS 48 -5.600 -1.345 3.513 315 H ARG 49 H ARG 49 -4.118 0.485 7.998 316 HA ARG 49 HA ARG 49 -1.814 2.036 8.182 317 HB2 ARG 49 1HB ARG 49 -3.598 2.481 9.688 318 HB3 ARG 49 2HB ARG 49 -3.589 0.832 10.298 319 HG2 ARG 49 1HG ARG 49 -1.276 1.306 11.190 320 HG3 ARG 49 2HG ARG 49 -1.577 3.002 10.804 321 HD2 ARG 49 1HD ARG 49 -3.431 1.367 12.518 322 HD3 ARG 49 2HD ARG 49 -2.072 2.271 13.183 323 HE ARG 49 HE ARG 49 -3.892 3.801 11.533 324 HH11 ARG 49 1HH1 ARG 49 -3.033 2.761 14.743 325 HH12 ARG 49 2HH1 ARG 49 -3.869 4.060 15.528 326 HH21 ARG 49 1HH2 ARG 49 -4.996 5.516 12.555 327 HH22 ARG 49 2HH2 ARG 49 -4.986 5.626 14.283 328 H ASP 50 H ASP 50 -2.356 -0.854 10.188 329 HA ASP 50 HA ASP 50 0.307 -1.240 10.883 330 HB2 ASP 50 1HB ASP 50 -1.835 -2.341 11.829 331 HB3 ASP 50 2HB ASP 50 -1.601 -3.543 10.563 332 H HIS 51 H HIS 51 -1.333 -1.965 7.944 333 HA HIS 51 HA HIS 51 0.382 -4.007 6.983 334 HB2 HIS 51 1HB HIS 51 -1.619 -3.922 5.819 335 HB3 HIS 51 2HB HIS 51 -1.621 -2.163 5.744 336 HD1 HIS 51 HD1 HIS 51 0.821 -4.776 4.422 337 HD2 HIS 51 HD2 HIS 51 -1.356 -1.472 3.154 338 HE1 HIS 51 HE1 HIS 51 1.434 -4.454 2.004 339 HE2 HIS 51 HE2 HIS 51 0.170 -2.399 1.282 340 H TYR 52 H TYR 52 0.406 -0.488 6.706 341 HA TYR 52 HA TYR 52 2.664 -0.433 4.938 342 HB2 TYR 52 1HB TYR 52 0.969 1.364 4.959 343 HB3 TYR 52 2HB TYR 52 1.455 1.791 6.595 344 HD1 TYR 52 HD2 TYR 52 4.099 2.219 6.820 345 HD2 TYR 52 HD1 TYR 52 1.832 2.636 3.244 346 HE1 TYR 52 HE2 TYR 52 5.810 3.740 5.920 347 HE2 TYR 52 HE1 TYR 52 3.537 4.157 2.333 348 HH TYR 52 HH TYR 52 6.451 4.975 4.195 349 H LEU 53 H LEU 53 2.155 -0.272 8.393 350 HA LEU 53 HA LEU 53 4.875 0.517 8.959 351 HB2 LEU 53 1HB LEU 53 2.608 -0.382 10.725 352 HB3 LEU 53 2HB LEU 53 4.196 0.086 11.330 353 HG LEU 53 HG LEU 53 2.444 1.945 9.736 354 HD11 LEU 53 1HD1 LEU 53 1.195 1.327 11.701 355 HD12 LEU 53 2HD1 LEU 53 1.838 2.955 11.909 356 HD13 LEU 53 3HD1 LEU 53 2.605 1.594 12.726 357 HD21 LEU 53 3HD2 LEU 53 4.354 2.955 11.720 358 HD22 LEU 53 1HD2 LEU 53 4.023 3.502 10.075 359 HD23 LEU 53 2HD2 LEU 53 5.086 2.121 10.349 360 H LYS 54 H LYS 54 3.378 -2.341 8.108 361 HA LYS 54 HA LYS 54 5.437 -3.956 9.462 362 HB2 LYS 54 1HB LYS 54 3.970 -5.739 9.611 363 HB3 LYS 54 2HB LYS 54 2.887 -4.373 9.844 364 HG2 LYS 54 1HG LYS 54 2.357 -4.493 7.399 365 HG3 LYS 54 2HG LYS 54 3.271 -6.002 7.346 366 HD2 LYS 54 1HD LYS 54 1.003 -5.566 9.271 367 HD3 LYS 54 2HD LYS 54 0.745 -6.184 7.638 368 HE2 LYS 54 1HE LYS 54 2.608 -7.433 9.653 369 HE3 LYS 54 2HE LYS 54 0.943 -7.950 9.391 370 HZ1 LYS 54 3HZ LYS 54 1.534 -9.091 7.595 371 HZ2 LYS 54 1HZ LYS 54 3.145 -8.860 8.058 372 HZ3 LYS 54 2HZ LYS 54 2.423 -7.803 6.952 373 H THR 55 H THR 55 3.988 -3.083 6.426 374 HA THR 55 HA THR 55 5.405 -5.110 4.924 375 HB THR 55 HB THR 55 3.722 -2.766 4.024 376 HG1 THR 55 HG1 THR 55 3.275 -5.512 4.458 377 HG21 THR 55 3HG2 THR 55 5.591 -4.390 2.546 378 HG22 THR 55 1HG2 THR 55 4.636 -3.011 2.003 379 HG23 THR 55 2HG2 THR 55 3.949 -4.634 1.951 380 H TYR 56 H TYR 56 5.439 -1.542 4.999 381 HA TYR 56 HA TYR 56 7.787 -1.326 3.417 382 HB2 TYR 56 1HB TYR 56 6.315 0.620 5.187 383 HB3 TYR 56 2HB TYR 56 7.779 1.066 4.318 384 HD1 TYR 56 HD1 TYR 56 4.480 -0.564 3.639 385 HD2 TYR 56 HD2 TYR 56 7.522 2.073 2.261 386 HE1 TYR 56 HE1 TYR 56 3.134 -0.063 1.643 387 HE2 TYR 56 HE2 TYR 56 6.183 2.582 0.262 388 HH TYR 56 HH TYR 56 4.406 1.659 -1.047 389 H ILE 57 H ILE 57 7.300 -0.503 6.856 390 HA ILE 57 HA ILE 57 9.855 -0.067 7.646 391 HB ILE 57 HB ILE 57 7.836 -1.665 9.224 392 HG12 ILE 57 1HG1 ILE 57 6.947 0.494 8.443 393 HG13 ILE 57 2HG1 ILE 57 7.177 0.487 10.188 394 HG21 ILE 57 1HG2 ILE 57 9.113 -0.504 11.146 395 HG22 ILE 57 2HG2 ILE 57 9.831 -1.920 10.381 396 HG23 ILE 57 3HG2 ILE 57 10.399 -0.306 9.956 397 HD11 ILE 57 3HD1 ILE 57 8.212 2.429 9.887 398 HD12 ILE 57 1HD1 ILE 57 9.560 1.478 9.265 399 HD13 ILE 57 2HD1 ILE 57 8.380 2.169 8.151 400 H GLU 58 H GLU 58 8.307 -3.281 7.821 401 HA GLU 58 HA GLU 58 10.733 -4.639 8.383 402 HB2 GLU 58 1HB GLU 58 8.413 -5.463 8.920 403 HB3 GLU 58 2HB GLU 58 8.218 -5.831 7.213 404 HG2 GLU 58 1HG GLU 58 10.315 -7.007 9.023 405 HG3 GLU 58 2HG GLU 58 8.822 -7.802 8.527 Start of MODEL 8 1 H1 GLY 1 H GLY 1 18.095 1.624 -8.112 2 HA2 GLY 1 1HA GLY 1 16.075 0.732 -7.449 3 HA3 GLY 1 2HA GLY 1 16.366 -0.381 -8.778 4 H SER 2 H SER 2 14.961 -0.960 -6.352 5 HA SER 2 HA SER 2 16.391 -2.242 -4.376 6 HB2 SER 2 1HB SER 2 13.654 -2.620 -5.515 7 HB3 SER 2 2HB SER 2 14.265 -3.822 -4.378 8 HG SER 2 HG SER 2 14.542 -2.189 -2.858 9 H SER 3 H SER 3 17.675 -3.959 -4.314 10 HA SER 3 HA SER 3 17.594 -5.843 -6.578 11 HB2 SER 3 1HB SER 3 19.836 -4.699 -4.976 12 HB3 SER 3 2HB SER 3 20.011 -6.345 -5.584 13 HG SER 3 HG SER 3 20.065 -3.958 -6.933 14 H GLY 4 H GLY 4 16.267 -7.441 -5.873 15 HA2 GLY 4 1HA GLY 4 17.276 -9.128 -3.739 16 HA3 GLY 4 2HA GLY 4 15.703 -8.407 -3.431 17 H SER 5 H SER 5 17.227 -11.092 -4.588 18 HA SER 5 HA SER 5 15.783 -11.869 -6.832 19 HB2 SER 5 1HB SER 5 17.659 -13.189 -6.220 20 HB3 SER 5 2HB SER 5 17.027 -13.473 -4.599 21 HG SER 5 HG SER 5 16.757 -15.055 -6.607 22 H SER 6 H SER 6 13.895 -13.027 -7.153 23 HA SER 6 HA SER 6 11.625 -12.418 -5.885 24 HB2 SER 6 1HB SER 6 11.450 -13.734 -7.850 25 HB3 SER 6 2HB SER 6 12.388 -15.051 -7.146 26 HG SER 6 HG SER 6 10.654 -15.777 -6.179 27 H GLY 7 H GLY 7 11.484 -12.254 -3.711 28 HA2 GLY 7 1HA GLY 7 10.799 -14.386 -2.115 29 HA3 GLY 7 2HA GLY 7 12.538 -14.219 -1.921 30 H PHE 8 H PHE 8 9.426 -12.820 -1.273 31 HA PHE 8 HA PHE 8 10.312 -11.503 1.050 32 HB2 PHE 8 1HB PHE 8 10.248 -9.902 -1.457 33 HB3 PHE 8 2HB PHE 8 9.611 -9.146 0.000 34 HD1 PHE 8 HD2 PHE 8 11.244 -9.688 2.137 35 HD2 PHE 8 HD1 PHE 8 12.410 -9.359 -1.943 36 HE1 PHE 8 HE2 PHE 8 13.531 -9.119 2.840 37 HE2 PHE 8 HE1 PHE 8 14.700 -8.790 -1.246 38 HZ PHE 8 HZ PHE 8 15.263 -8.668 1.148 39 H ASP 9 H ASP 9 8.535 -9.795 1.739 40 HA ASP 9 HA ASP 9 6.117 -11.203 1.962 41 HB2 ASP 9 1HB ASP 9 5.234 -8.979 2.844 42 HB3 ASP 9 2HB ASP 9 6.628 -9.657 3.681 43 H GLU 10 H GLU 10 4.893 -11.659 0.240 44 HA GLU 10 HA GLU 10 4.178 -9.438 -1.561 45 HB2 GLU 10 1HB GLU 10 3.971 -11.042 -3.380 46 HB3 GLU 10 2HB GLU 10 5.587 -11.108 -2.692 47 HG2 GLU 10 1HG GLU 10 5.171 -13.327 -2.850 48 HG3 GLU 10 2HG GLU 10 4.502 -13.034 -1.246 49 H ASN 11 H ASN 11 2.807 -10.105 0.843 50 HA ASN 11 HA ASN 11 0.569 -11.756 0.427 51 HB2 ASN 11 1HB ASN 11 1.060 -9.447 2.307 52 HB3 ASN 11 2HB ASN 11 -0.434 -10.380 2.324 53 HD21 ASN 11 1HD2 ASN 11 -0.091 -11.155 4.385 54 HD22 ASN 11 2HD2 ASN 11 1.119 -12.334 4.747 55 H TRP 12 H TRP 12 0.835 -8.203 0.285 56 HA TRP 12 HA TRP 12 -1.796 -7.898 -0.798 57 HB2 TRP 12 1HB TRP 12 0.517 -6.031 -0.340 58 HB3 TRP 12 2HB TRP 12 -0.907 -5.504 -1.233 59 HD1 TRP 12 HD1 TRP 12 -0.908 -7.695 1.955 60 HE1 TRP 12 HE1 TRP 12 -2.256 -6.463 3.769 61 HE3 TRP 12 HE3 TRP 12 -1.827 -3.330 -0.542 62 HZ2 TRP 12 HZ2 TRP 12 -3.539 -3.970 4.097 63 HZ3 TRP 12 HZ3 TRP 12 -3.123 -1.573 0.592 64 HH2 TRP 12 HH2 TRP 12 -3.960 -1.888 2.864 65 H GLY 13 H GLY 13 -2.331 -7.077 -2.895 66 HA2 GLY 13 1HA GLY 13 -0.760 -8.309 -4.978 67 HA3 GLY 13 2HA GLY 13 -2.290 -7.469 -5.180 68 H ALA 14 H ALA 14 -0.873 -6.827 -7.140 69 HA ALA 14 HA ALA 14 1.136 -4.841 -6.707 70 HB1 ALA 14 3HB ALA 14 1.252 -6.148 -8.703 71 HB2 ALA 14 1HB ALA 14 -0.377 -5.666 -9.179 72 HB3 ALA 14 2HB ALA 14 0.928 -4.478 -9.170 73 H ASP 15 H ASP 15 -2.298 -4.776 -7.546 74 HA ASP 15 HA ASP 15 -2.461 -1.982 -7.977 75 HB2 ASP 15 1HB ASP 15 -4.979 -2.500 -7.381 76 HB3 ASP 15 2HB ASP 15 -4.273 -3.075 -8.889 77 H GLU 16 H GLU 16 -3.893 -3.822 -5.277 78 HA GLU 16 HA GLU 16 -4.428 -1.715 -3.602 79 HB2 GLU 16 1HB GLU 16 -4.494 -3.288 -1.789 80 HB3 GLU 16 2HB GLU 16 -5.101 -4.089 -3.232 81 HG2 GLU 16 1HG GLU 16 -3.021 -5.255 -3.524 82 HG3 GLU 16 2HG GLU 16 -2.292 -4.363 -2.190 83 H GLU 17 H GLU 17 -1.368 -2.942 -4.500 84 HA GLU 17 HA GLU 17 0.033 -1.897 -2.193 85 HB2 GLU 17 1HB GLU 17 0.798 -3.380 -4.666 86 HB3 GLU 17 2HB GLU 17 2.039 -2.447 -3.840 87 HG2 GLU 17 1HG GLU 17 0.332 -4.460 -2.413 88 HG3 GLU 17 2HG GLU 17 1.832 -4.897 -3.229 89 H LEU 18 H LEU 18 -0.698 -0.928 -5.470 90 HA LEU 18 HA LEU 18 1.151 1.268 -5.506 91 HB2 LEU 18 1HB LEU 18 0.743 0.642 -7.646 92 HB3 LEU 18 2HB LEU 18 -0.916 0.156 -7.302 93 HG LEU 18 HG LEU 18 -1.407 2.680 -7.168 94 HD11 LEU 18 1HD1 LEU 18 1.319 2.867 -7.476 95 HD12 LEU 18 2HD1 LEU 18 0.156 4.170 -7.719 96 HD13 LEU 18 3HD1 LEU 18 0.707 3.212 -9.094 97 HD21 LEU 18 3HD2 LEU 18 -2.221 2.543 -9.270 98 HD22 LEU 18 1HD2 LEU 18 -1.721 0.858 -9.117 99 HD23 LEU 18 2HD2 LEU 18 -0.681 2.013 -9.950 100 H LEU 19 H LEU 19 -2.364 0.940 -5.119 101 HA LEU 19 HA LEU 19 -3.015 3.635 -4.913 102 HB2 LEU 19 1HB LEU 19 -4.239 1.178 -3.693 103 HB3 LEU 19 2HB LEU 19 -4.932 2.782 -3.465 104 HG LEU 19 HG LEU 19 -5.937 1.288 -5.279 105 HD11 LEU 19 1HD1 LEU 19 -6.137 3.252 -6.850 106 HD12 LEU 19 2HD1 LEU 19 -5.023 4.108 -5.785 107 HD13 LEU 19 3HD1 LEU 19 -6.582 3.558 -5.171 108 HD21 LEU 19 3HD2 LEU 19 -4.782 1.462 -7.471 109 HD22 LEU 19 1HD2 LEU 19 -3.921 0.469 -6.295 110 HD23 LEU 19 2HD2 LEU 19 -3.372 2.111 -6.633 111 H LEU 20 H LEU 20 -2.456 1.354 -2.225 112 HA LEU 20 HA LEU 20 -2.666 2.862 -0.039 113 HB2 LEU 20 1HB LEU 20 -1.818 0.537 -0.100 114 HB3 LEU 20 2HB LEU 20 -0.243 1.155 -0.594 115 HG LEU 20 HG LEU 20 -0.032 2.318 1.553 116 HD11 LEU 20 1HD1 LEU 20 -1.701 1.581 3.350 117 HD12 LEU 20 2HD1 LEU 20 -2.764 1.170 2.005 118 HD13 LEU 20 3HD1 LEU 20 -2.210 2.831 2.213 119 HD21 LEU 20 3HD2 LEU 20 0.152 0.289 2.984 120 HD22 LEU 20 1HD2 LEU 20 0.916 0.123 1.402 121 HD23 LEU 20 2HD2 LEU 20 -0.650 -0.628 1.708 122 H ILE 21 H ILE 21 0.336 2.818 -1.967 123 HA ILE 21 HA ILE 21 1.600 4.902 -0.561 124 HB ILE 21 HB ILE 21 2.033 3.981 -3.405 125 HG12 ILE 21 1HG1 ILE 21 3.786 3.369 -1.042 126 HG13 ILE 21 2HG1 ILE 21 2.365 2.386 -1.378 127 HG21 ILE 21 1HG2 ILE 21 3.026 6.077 -3.362 128 HG22 ILE 21 2HG2 ILE 21 3.509 5.924 -1.674 129 HG23 ILE 21 3HG2 ILE 21 4.355 5.006 -2.919 130 HD11 ILE 21 3HD1 ILE 21 3.234 1.664 -3.441 131 HD12 ILE 21 1HD1 ILE 21 4.503 2.889 -3.421 132 HD13 ILE 21 2HD1 ILE 21 4.558 1.543 -2.283 133 H ASP 22 H ASP 22 -0.037 4.960 -3.730 134 HA ASP 22 HA ASP 22 0.172 7.592 -4.383 135 HB2 ASP 22 1HB ASP 22 -1.927 5.536 -4.844 136 HB3 ASP 22 2HB ASP 22 -2.345 7.208 -5.206 137 H ALA 23 H ALA 23 -2.093 6.170 -2.075 138 HA ALA 23 HA ALA 23 -3.423 8.657 -1.537 139 HB1 ALA 23 3HB ALA 23 -4.818 6.863 -1.158 140 HB2 ALA 23 1HB ALA 23 -3.550 5.900 -0.398 141 HB3 ALA 23 2HB ALA 23 -4.283 7.245 0.478 142 H CYS 24 H CYS 24 -1.047 6.646 0.177 143 HA CYS 24 HA CYS 24 -0.788 7.980 2.540 144 HB2 CYS 24 1HB CYS 24 1.383 6.784 0.812 145 HB3 CYS 24 2HB CYS 24 1.646 7.320 2.467 146 HG CYS 24 HG CYS 24 0.215 4.521 1.333 147 H GLU 25 H GLU 25 0.584 8.909 -0.581 148 HA GLU 25 HA GLU 25 1.765 11.304 0.588 149 HB2 GLU 25 1HB GLU 25 2.006 9.876 -2.017 150 HB3 GLU 25 2HB GLU 25 2.340 11.602 -1.990 151 HG2 GLU 25 1HG GLU 25 3.688 9.539 -0.261 152 HG3 GLU 25 2HG GLU 25 4.364 10.253 -1.725 153 H THR 26 H THR 26 -0.872 10.328 -1.496 154 HA THR 26 HA THR 26 -1.555 12.993 -2.311 155 HB THR 26 HB THR 26 -3.054 10.380 -2.514 156 HG1 THR 26 HG1 THR 26 -1.460 11.941 -4.247 157 HG21 THR 26 3HG2 THR 26 -3.809 13.002 -3.799 158 HG22 THR 26 1HG2 THR 26 -4.576 12.369 -2.344 159 HG23 THR 26 2HG2 THR 26 -4.697 11.480 -3.862 160 H LEU 27 H LEU 27 -3.516 10.634 -0.494 161 HA LEU 27 HA LEU 27 -5.127 12.671 0.675 162 HB2 LEU 27 1HB LEU 27 -4.838 9.776 1.463 163 HB3 LEU 27 2HB LEU 27 -6.134 10.862 1.959 164 HG LEU 27 HG LEU 27 -5.612 9.922 -0.861 165 HD11 LEU 27 1HD1 LEU 27 -7.894 9.204 0.964 166 HD12 LEU 27 2HD1 LEU 27 -6.460 8.199 0.756 167 HD13 LEU 27 3HD1 LEU 27 -7.515 8.525 -0.619 168 HD21 LEU 27 3HD2 LEU 27 -7.918 11.514 0.252 169 HD22 LEU 27 1HD2 LEU 27 -7.686 11.012 -1.422 170 HD23 LEU 27 2HD2 LEU 27 -6.591 12.188 -0.695 171 H GLY 28 H GLY 28 -2.523 10.592 1.902 172 HA2 GLY 28 1HA GLY 28 -0.906 11.575 3.433 173 HA3 GLY 28 2HA GLY 28 -2.229 12.481 4.151 174 H LEU 29 H LEU 29 -0.189 10.411 5.136 175 HA LEU 29 HA LEU 29 -1.702 8.145 5.961 176 HB2 LEU 29 1HB LEU 29 0.948 9.297 6.757 177 HB3 LEU 29 2HB LEU 29 0.256 7.927 7.623 178 HG LEU 29 HG LEU 29 0.567 7.771 4.658 179 HD11 LEU 29 1HD1 LEU 29 2.720 8.556 6.010 180 HD12 LEU 29 2HD1 LEU 29 2.805 7.412 4.671 181 HD13 LEU 29 3HD1 LEU 29 2.816 6.825 6.334 182 HD21 LEU 29 3HD2 LEU 29 1.162 5.566 6.549 183 HD22 LEU 29 1HD2 LEU 29 0.375 5.528 4.971 184 HD23 LEU 29 2HD2 LEU 29 -0.520 6.074 6.389 185 H GLY 30 H GLY 30 -1.190 11.332 7.247 186 HA2 GLY 30 1HA GLY 30 -1.631 11.148 9.915 187 HA3 GLY 30 2HA GLY 30 -2.345 12.416 8.930 188 H ASN 31 H ASN 31 -4.046 10.662 7.399 189 HA ASN 31 HA ASN 31 -5.913 9.753 9.488 190 HB2 ASN 31 1HB ASN 31 -6.643 11.919 8.546 191 HB3 ASN 31 2HB ASN 31 -6.650 11.205 6.936 192 HD21 ASN 31 1HD2 ASN 31 -8.316 11.553 9.910 193 HD22 ASN 31 2HD2 ASN 31 -9.737 10.672 9.473 194 H TRP 32 H TRP 32 -5.333 7.596 9.209 195 HA TRP 32 HA TRP 32 -5.072 6.254 6.776 196 HB2 TRP 32 1HB TRP 32 -5.882 5.262 9.511 197 HB3 TRP 32 2HB TRP 32 -5.601 4.188 8.143 198 HD1 TRP 32 HD1 TRP 32 -3.796 6.136 10.810 199 HE1 TRP 32 HE1 TRP 32 -1.264 5.717 10.616 200 HE3 TRP 32 HE3 TRP 32 -3.716 3.723 6.304 201 HZ2 TRP 32 HZ2 TRP 32 0.530 4.522 8.794 202 HZ3 TRP 32 HZ3 TRP 32 -1.551 2.975 5.405 203 HH2 TRP 32 HH2 TRP 32 0.527 3.367 6.626 204 H ALA 33 H ALA 33 -7.920 6.890 8.755 205 HA ALA 33 HA ALA 33 -9.832 5.274 7.743 206 HB1 ALA 33 3HB ALA 33 -11.401 7.286 7.939 207 HB2 ALA 33 1HB ALA 33 -10.512 6.796 9.382 208 HB3 ALA 33 2HB ALA 33 -9.972 8.189 8.443 209 H ASP 34 H ASP 34 -8.481 8.116 6.136 210 HA ASP 34 HA ASP 34 -10.244 7.991 3.892 211 HB2 ASP 34 1HB ASP 34 -8.822 9.991 4.791 212 HB3 ASP 34 2HB ASP 34 -7.548 9.303 3.788 213 H ILE 35 H ILE 35 -6.803 7.167 4.322 214 HA ILE 35 HA ILE 35 -6.255 6.198 1.802 215 HB ILE 35 HB ILE 35 -5.217 5.184 4.449 216 HG12 ILE 35 1HG1 ILE 35 -3.938 7.054 2.447 217 HG13 ILE 35 2HG1 ILE 35 -4.821 7.598 3.869 218 HG21 ILE 35 1HG2 ILE 35 -4.147 3.575 3.361 219 HG22 ILE 35 2HG2 ILE 35 -4.895 4.087 1.849 220 HG23 ILE 35 3HG2 ILE 35 -3.355 4.785 2.352 221 HD11 ILE 35 3HD1 ILE 35 -2.233 7.408 3.923 222 HD12 ILE 35 1HD1 ILE 35 -3.185 6.896 5.316 223 HD13 ILE 35 2HD1 ILE 35 -2.553 5.694 4.190 224 H ALA 36 H ALA 36 -7.900 4.594 4.466 225 HA ALA 36 HA ALA 36 -7.917 1.980 3.480 226 HB1 ALA 36 3HB ALA 36 -9.611 1.524 5.046 227 HB2 ALA 36 1HB ALA 36 -8.642 2.807 5.771 228 HB3 ALA 36 2HB ALA 36 -10.194 3.188 5.024 229 H ASP 37 H ASP 37 -10.412 4.505 3.136 230 HA ASP 37 HA ASP 37 -12.085 3.014 1.430 231 HB2 ASP 37 1HB ASP 37 -12.704 5.098 2.729 232 HB3 ASP 37 2HB ASP 37 -11.864 6.026 1.489 233 H TYR 38 H TYR 38 -9.139 4.671 0.865 234 HA TYR 38 HA TYR 38 -9.572 4.981 -1.984 235 HB2 TYR 38 1HB TYR 38 -8.216 6.591 -0.581 236 HB3 TYR 38 2HB TYR 38 -6.986 5.337 -0.463 237 HD1 TYR 38 HD2 TYR 38 -8.682 7.678 -2.736 238 HD2 TYR 38 HD1 TYR 38 -5.562 4.814 -2.328 239 HE1 TYR 38 HE2 TYR 38 -7.717 8.434 -4.869 240 HE2 TYR 38 HE1 TYR 38 -4.588 5.562 -4.459 241 HH TYR 38 HH TYR 38 -4.597 7.372 -5.953 242 H VAL 39 H VAL 39 -7.786 2.874 0.203 243 HA VAL 39 HA VAL 39 -6.558 1.400 -1.959 244 HB VAL 39 HB VAL 39 -6.626 0.810 1.004 245 HG11 VAL 39 1HG1 VAL 39 -4.552 -0.303 -0.806 246 HG12 VAL 39 2HG1 VAL 39 -5.242 -0.971 0.674 247 HG13 VAL 39 3HG1 VAL 39 -6.154 -1.041 -0.835 248 HG21 VAL 39 3HG2 VAL 39 -5.489 2.939 0.276 249 HG22 VAL 39 1HG2 VAL 39 -4.466 1.788 1.136 250 HG23 VAL 39 2HG2 VAL 39 -4.350 1.933 -0.618 251 H GLY 40 H GLY 40 -8.492 0.215 0.792 252 HA2 GLY 40 1HA GLY 40 -10.257 -1.265 0.860 253 HA3 GLY 40 2HA GLY 40 -10.451 -1.031 -0.871 254 H ASN 41 H ASN 41 -10.465 -2.967 -1.802 255 HA ASN 41 HA ASN 41 -9.902 -5.097 -2.374 256 HB2 ASN 41 1HB ASN 41 -7.095 -4.575 -1.452 257 HB3 ASN 41 2HB ASN 41 -7.654 -5.470 -2.863 258 HD21 ASN 41 1HD2 ASN 41 -6.284 -2.654 -1.830 259 HD22 ASN 41 2HD2 ASN 41 -6.611 -1.660 -3.205 260 H ALA 42 H ALA 42 -11.127 -5.146 -0.036 261 HA ALA 42 HA ALA 42 -11.501 -6.470 1.779 262 HB1 ALA 42 3HB ALA 42 -9.472 -7.945 0.262 263 HB2 ALA 42 1HB ALA 42 -9.536 -8.339 1.980 264 HB3 ALA 42 2HB ALA 42 -10.982 -8.503 0.983 265 H ARG 43 H ARG 43 -9.701 -4.096 1.832 266 HA ARG 43 HA ARG 43 -8.243 -4.750 4.308 267 HB2 ARG 43 1HB ARG 43 -7.511 -2.537 2.391 268 HB3 ARG 43 2HB ARG 43 -6.571 -3.134 3.752 269 HG2 ARG 43 1HG ARG 43 -7.224 -4.753 1.301 270 HG3 ARG 43 2HG ARG 43 -5.721 -3.861 1.544 271 HD2 ARG 43 1HD ARG 43 -5.064 -5.241 3.326 272 HD3 ARG 43 2HD ARG 43 -6.687 -5.900 3.523 273 HE ARG 43 HE ARG 43 -5.467 -6.476 0.976 274 HH11 ARG 43 1HH1 ARG 43 -5.906 -7.514 4.269 275 HH12 ARG 43 2HH1 ARG 43 -5.571 -9.179 3.927 276 HH21 ARG 43 1HH2 ARG 43 -5.024 -8.665 0.512 277 HH22 ARG 43 2HH2 ARG 43 -5.068 -9.832 1.789 278 H THR 44 H THR 44 -7.747 -2.529 5.497 279 HA THR 44 HA THR 44 -9.740 -0.504 5.332 280 HB THR 44 HB THR 44 -11.157 -2.229 6.326 281 HG1 THR 44 HG1 THR 44 -11.266 0.042 7.031 282 HG21 THR 44 3HG2 THR 44 -10.365 -2.626 8.888 283 HG22 THR 44 1HG2 THR 44 -8.807 -2.587 8.064 284 HG23 THR 44 2HG2 THR 44 -10.038 -3.748 7.567 285 H LYS 45 H LYS 45 -9.450 1.174 6.917 286 HA LYS 45 HA LYS 45 -6.991 2.080 7.390 287 HB2 LYS 45 1HB LYS 45 -7.844 3.271 9.395 288 HB3 LYS 45 2HB LYS 45 -8.930 3.377 8.016 289 HG2 LYS 45 1HG LYS 45 -10.065 1.301 9.133 290 HG3 LYS 45 2HG LYS 45 -9.262 1.907 10.583 291 HD2 LYS 45 1HD LYS 45 -10.380 4.015 10.404 292 HD3 LYS 45 2HD LYS 45 -11.026 3.596 8.816 293 HE2 LYS 45 1HE LYS 45 -12.776 3.336 10.428 294 HE3 LYS 45 2HE LYS 45 -12.279 1.732 9.891 295 HZ1 LYS 45 3HZ LYS 45 -11.007 2.853 12.280 296 HZ2 LYS 45 1HZ LYS 45 -11.356 1.242 11.900 297 HZ3 LYS 45 2HZ LYS 45 -12.591 2.276 12.417 298 H GLU 46 H GLU 46 -8.704 0.049 9.771 299 HA GLU 46 HA GLU 46 -6.758 -0.208 11.677 300 HB2 GLU 46 1HB GLU 46 -8.790 -2.186 10.669 301 HB3 GLU 46 2HB GLU 46 -7.712 -2.576 12.002 302 HG2 GLU 46 1HG GLU 46 -8.660 -0.983 13.401 303 HG3 GLU 46 2HG GLU 46 -9.388 -0.100 12.060 304 H GLU 47 H GLU 47 -7.080 -2.104 8.696 305 HA GLU 47 HA GLU 47 -4.631 -3.552 9.244 306 HB2 GLU 47 1HB GLU 47 -6.644 -3.614 7.010 307 HB3 GLU 47 2HB GLU 47 -5.112 -4.467 6.883 308 HG2 GLU 47 1HG GLU 47 -6.957 -4.895 9.203 309 HG3 GLU 47 2HG GLU 47 -7.150 -5.773 7.687 310 H CYS 48 H CYS 48 -5.744 -1.620 6.456 311 HA CYS 48 HA CYS 48 -3.488 -1.277 5.053 312 HB2 CYS 48 1HB CYS 48 -5.556 0.804 5.756 313 HB3 CYS 48 2HB CYS 48 -4.273 1.105 4.591 314 HG CYS 48 HG CYS 48 -7.124 0.093 3.846 315 H ARG 49 H ARG 49 -4.181 0.221 8.148 316 HA ARG 49 HA ARG 49 -2.035 2.055 8.171 317 HB2 ARG 49 1HB ARG 49 -3.823 2.363 9.726 318 HB3 ARG 49 2HB ARG 49 -3.602 0.751 10.394 319 HG2 ARG 49 1HG ARG 49 -1.614 1.363 11.490 320 HG3 ARG 49 2HG ARG 49 -1.477 2.862 10.568 321 HD2 ARG 49 1HD ARG 49 -3.836 3.323 11.684 322 HD3 ARG 49 2HD ARG 49 -3.207 2.204 12.892 323 HE ARG 49 HE ARG 49 -1.339 4.266 12.251 324 HH11 ARG 49 1HH1 ARG 49 -4.175 3.524 14.129 325 HH12 ARG 49 2HH1 ARG 49 -3.852 4.727 15.333 326 HH21 ARG 49 1HH2 ARG 49 -0.903 5.853 13.830 327 HH22 ARG 49 2HH2 ARG 49 -1.991 6.052 15.161 328 H ASP 50 H ASP 50 -2.279 -0.818 10.257 329 HA ASP 50 HA ASP 50 0.421 -0.991 10.866 330 HB2 ASP 50 1HB ASP 50 -1.759 -3.069 10.800 331 HB3 ASP 50 2HB ASP 50 -0.119 -3.465 11.307 332 H HIS 51 H HIS 51 -1.383 -2.664 8.302 333 HA HIS 51 HA HIS 51 0.466 -4.321 7.233 334 HB2 HIS 51 1HB HIS 51 -1.642 -4.257 6.180 335 HB3 HIS 51 2HB HIS 51 -1.527 -2.529 5.862 336 HD1 HIS 51 HD1 HIS 51 0.096 -5.770 4.735 337 HD2 HIS 51 HD2 HIS 51 -0.619 -1.910 3.376 338 HE1 HIS 51 HE1 HIS 51 0.860 -5.748 2.339 339 HE2 HIS 51 HE2 HIS 51 0.496 -3.380 1.564 340 H TYR 52 H TYR 52 0.315 -0.819 6.728 341 HA TYR 52 HA TYR 52 2.623 -0.798 5.012 342 HB2 TYR 52 1HB TYR 52 0.793 0.869 4.811 343 HB3 TYR 52 2HB TYR 52 1.239 1.516 6.386 344 HD1 TYR 52 HD2 TYR 52 3.866 2.104 6.552 345 HD2 TYR 52 HD1 TYR 52 1.579 1.998 2.966 346 HE1 TYR 52 HE2 TYR 52 5.491 3.606 5.479 347 HE2 TYR 52 HE1 TYR 52 3.198 3.499 1.882 348 HH TYR 52 HH TYR 52 4.972 4.834 2.203 349 H LEU 53 H LEU 53 1.951 -0.192 8.406 350 HA LEU 53 HA LEU 53 4.567 0.829 8.989 351 HB2 LEU 53 1HB LEU 53 2.335 -0.154 10.756 352 HB3 LEU 53 2HB LEU 53 3.843 0.525 11.366 353 HG LEU 53 HG LEU 53 1.979 2.057 9.567 354 HD11 LEU 53 1HD1 LEU 53 0.535 2.121 11.261 355 HD12 LEU 53 2HD1 LEU 53 1.728 3.110 12.102 356 HD13 LEU 53 3HD1 LEU 53 1.680 1.368 12.372 357 HD21 LEU 53 3HD2 LEU 53 3.393 3.776 9.807 358 HD22 LEU 53 1HD2 LEU 53 4.566 2.549 10.285 359 HD23 LEU 53 2HD2 LEU 53 3.668 3.437 11.517 360 H LYS 54 H LYS 54 3.408 -2.223 8.322 361 HA LYS 54 HA LYS 54 5.529 -3.515 9.905 362 HB2 LYS 54 1HB LYS 54 4.254 -5.457 10.030 363 HB3 LYS 54 2HB LYS 54 3.040 -4.192 10.168 364 HG2 LYS 54 1HG LYS 54 2.342 -4.493 7.923 365 HG3 LYS 54 2HG LYS 54 3.725 -5.530 7.565 366 HD2 LYS 54 1HD LYS 54 2.710 -6.972 9.530 367 HD3 LYS 54 2HD LYS 54 1.225 -6.137 9.067 368 HE2 LYS 54 1HE LYS 54 1.108 -7.977 7.708 369 HE3 LYS 54 2HE LYS 54 1.959 -6.854 6.649 370 HZ1 LYS 54 3HZ LYS 54 3.973 -8.032 8.005 371 HZ2 LYS 54 1HZ LYS 54 3.441 -8.494 6.466 372 HZ3 LYS 54 2HZ LYS 54 2.878 -9.310 7.836 373 H THR 55 H THR 55 4.229 -3.005 6.719 374 HA THR 55 HA THR 55 6.016 -4.928 5.484 375 HB THR 55 HB THR 55 4.080 -2.951 4.266 376 HG1 THR 55 HG1 THR 55 3.819 -5.740 4.098 377 HG21 THR 55 3HG2 THR 55 5.415 -5.221 2.820 378 HG22 THR 55 1HG2 THR 55 6.128 -3.610 2.867 379 HG23 THR 55 2HG2 THR 55 4.536 -3.849 2.146 380 H TYR 56 H TYR 56 5.718 -1.436 5.836 381 HA TYR 56 HA TYR 56 8.047 -0.951 4.174 382 HB2 TYR 56 1HB TYR 56 6.296 0.929 5.769 383 HB3 TYR 56 2HB TYR 56 7.629 1.440 4.740 384 HD1 TYR 56 HD1 TYR 56 4.584 -0.724 4.489 385 HD2 TYR 56 HD2 TYR 56 7.071 2.190 2.637 386 HE1 TYR 56 HE1 TYR 56 3.061 -0.659 2.560 387 HE2 TYR 56 HE2 TYR 56 5.554 2.263 0.703 388 HH TYR 56 HH TYR 56 3.793 1.304 -0.294 389 H ILE 57 H ILE 57 7.174 0.062 7.483 390 HA ILE 57 HA ILE 57 9.785 0.671 8.285 391 HB ILE 57 HB ILE 57 7.454 -0.185 10.006 392 HG12 ILE 57 1HG1 ILE 57 6.804 1.754 8.799 393 HG13 ILE 57 2HG1 ILE 57 7.307 2.328 10.385 394 HG21 ILE 57 1HG2 ILE 57 8.613 0.871 11.845 395 HG22 ILE 57 2HG2 ILE 57 9.637 -0.377 11.136 396 HG23 ILE 57 3HG2 ILE 57 9.946 1.323 10.782 397 HD11 ILE 57 3HD1 ILE 57 8.469 2.819 7.736 398 HD12 ILE 57 1HD1 ILE 57 8.447 3.833 9.179 399 HD13 ILE 57 2HD1 ILE 57 9.628 2.531 9.033 400 H GLU 58 H GLU 58 7.865 -2.116 9.421 401 HA GLU 58 HA GLU 58 10.193 -3.506 10.319 402 HB2 GLU 58 1HB GLU 58 7.326 -4.394 9.981 403 HB3 GLU 58 2HB GLU 58 8.583 -5.396 10.691 404 HG2 GLU 58 1HG GLU 58 8.928 -3.601 12.398 405 HG3 GLU 58 2HG GLU 58 7.500 -2.799 11.748 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -19.058 -27.185 8.195 2 HA2 GLY 1 1HA GLY 1 -17.375 -28.834 8.039 3 HA3 GLY 1 2HA GLY 1 -17.564 -28.309 6.373 4 H SER 2 H SER 2 -16.046 -26.686 9.146 5 HA SER 2 HA SER 2 -13.432 -26.963 7.868 6 HB2 SER 2 1HB SER 2 -12.961 -24.647 7.813 7 HB3 SER 2 2HB SER 2 -14.587 -24.788 7.144 8 HG SER 2 HG SER 2 -15.118 -23.424 8.643 9 H SER 3 H SER 3 -11.673 -26.092 9.324 10 HA SER 3 HA SER 3 -12.381 -26.609 12.138 11 HB2 SER 3 1HB SER 3 -10.021 -27.458 10.495 12 HB3 SER 3 2HB SER 3 -9.837 -27.247 12.236 13 HG SER 3 HG SER 3 -12.029 -28.720 11.359 14 H GLY 4 H GLY 4 -12.590 -24.041 11.099 15 HA2 GLY 4 1HA GLY 4 -12.069 -21.954 12.011 16 HA3 GLY 4 2HA GLY 4 -10.658 -22.667 12.778 17 H SER 5 H SER 5 -11.830 -20.862 10.135 18 HA SER 5 HA SER 5 -9.736 -21.281 8.285 19 HB2 SER 5 1HB SER 5 -11.809 -19.152 8.676 20 HB3 SER 5 2HB SER 5 -10.503 -18.888 7.521 21 HG SER 5 HG SER 5 -11.259 -21.217 6.895 22 H SER 6 H SER 6 -7.801 -20.279 7.984 23 HA SER 6 HA SER 6 -7.042 -18.018 9.640 24 HB2 SER 6 1HB SER 6 -5.849 -20.762 9.939 25 HB3 SER 6 2HB SER 6 -4.886 -19.324 10.278 26 HG SER 6 HG SER 6 -6.489 -18.712 11.796 27 H GLY 7 H GLY 7 -5.004 -17.058 8.988 28 HA2 GLY 7 1HA GLY 7 -3.237 -17.766 7.081 29 HA3 GLY 7 2HA GLY 7 -4.629 -17.280 6.125 30 H PHE 8 H PHE 8 -2.103 -16.209 8.280 31 HA PHE 8 HA PHE 8 -2.912 -13.421 7.994 32 HB2 PHE 8 1HB PHE 8 -0.536 -14.537 9.493 33 HB3 PHE 8 2HB PHE 8 -1.222 -12.922 9.640 34 HD1 PHE 8 HD1 PHE 8 -2.000 -16.511 10.172 35 HD2 PHE 8 HD2 PHE 8 -2.870 -12.478 11.219 36 HE1 PHE 8 HE1 PHE 8 -3.454 -17.301 11.993 37 HE2 PHE 8 HE2 PHE 8 -4.324 -13.261 13.042 38 HZ PHE 8 HZ PHE 8 -4.617 -15.675 13.432 39 H ASP 9 H ASP 9 -2.242 -14.506 5.579 40 HA ASP 9 HA ASP 9 0.499 -14.133 4.900 41 HB2 ASP 9 1HB ASP 9 -0.431 -14.148 2.520 42 HB3 ASP 9 2HB ASP 9 -0.720 -15.588 3.492 43 H GLU 10 H GLU 10 1.458 -12.213 5.007 44 HA GLU 10 HA GLU 10 -0.054 -9.776 4.528 45 HB2 GLU 10 1HB GLU 10 1.753 -8.608 5.477 46 HB3 GLU 10 2HB GLU 10 1.639 -10.091 6.414 47 HG2 GLU 10 1HG GLU 10 3.678 -9.310 4.372 48 HG3 GLU 10 2HG GLU 10 3.915 -9.827 6.041 49 H ASN 11 H ASN 11 0.428 -11.576 2.304 50 HA ASN 11 HA ASN 11 2.382 -10.151 0.667 51 HB2 ASN 11 1HB ASN 11 2.426 -12.596 0.593 52 HB3 ASN 11 2HB ASN 11 0.742 -12.626 0.079 53 HD21 ASN 11 1HD2 ASN 11 3.924 -11.398 -0.843 54 HD22 ASN 11 2HD2 ASN 11 3.673 -11.523 -2.548 55 H TRP 12 H TRP 12 1.236 -8.178 0.453 56 HA TRP 12 HA TRP 12 -1.405 -8.048 -0.593 57 HB2 TRP 12 1HB TRP 12 0.804 -6.055 -0.191 58 HB3 TRP 12 2HB TRP 12 -0.634 -5.608 -1.105 59 HD1 TRP 12 HD1 TRP 12 -0.494 -7.705 2.151 60 HE1 TRP 12 HE1 TRP 12 -1.941 -6.520 3.919 61 HE3 TRP 12 HE3 TRP 12 -1.757 -3.522 -0.503 62 HZ2 TRP 12 HZ2 TRP 12 -3.422 -4.129 4.158 63 HZ3 TRP 12 HZ3 TRP 12 -3.193 -1.835 0.568 64 HH2 TRP 12 HH2 TRP 12 -4.008 -2.134 2.850 65 H GLY 13 H GLY 13 -1.789 -6.693 -2.670 66 HA2 GLY 13 1HA GLY 13 -0.175 -7.940 -4.802 67 HA3 GLY 13 2HA GLY 13 -1.864 -7.480 -4.961 68 H ALA 14 H ALA 14 0.324 -6.745 -6.689 69 HA ALA 14 HA ALA 14 1.454 -4.284 -6.352 70 HB1 ALA 14 3HB ALA 14 0.795 -5.965 -8.587 71 HB2 ALA 14 1HB ALA 14 0.570 -4.267 -9.007 72 HB3 ALA 14 2HB ALA 14 2.128 -4.826 -8.397 73 H ASP 15 H ASP 15 -1.886 -4.996 -7.215 74 HA ASP 15 HA ASP 15 -2.672 -2.364 -7.850 75 HB2 ASP 15 1HB ASP 15 -4.487 -4.451 -6.648 76 HB3 ASP 15 2HB ASP 15 -4.907 -3.159 -7.769 77 H GLU 16 H GLU 16 -3.679 -4.172 -4.949 78 HA GLU 16 HA GLU 16 -4.445 -1.916 -3.489 79 HB2 GLU 16 1HB GLU 16 -4.361 -3.403 -1.509 80 HB3 GLU 16 2HB GLU 16 -5.212 -4.124 -2.869 81 HG2 GLU 16 1HG GLU 16 -3.133 -5.368 -3.428 82 HG3 GLU 16 2HG GLU 16 -2.418 -4.741 -1.944 83 H GLU 17 H GLU 17 -1.345 -3.059 -4.254 84 HA GLU 17 HA GLU 17 -0.024 -1.919 -1.945 85 HB2 GLU 17 1HB GLU 17 0.886 -3.346 -4.418 86 HB3 GLU 17 2HB GLU 17 2.046 -2.441 -3.456 87 HG2 GLU 17 1HG GLU 17 1.265 -3.785 -1.471 88 HG3 GLU 17 2HG GLU 17 0.395 -4.804 -2.617 89 H LEU 18 H LEU 18 -0.662 -1.068 -5.286 90 HA LEU 18 HA LEU 18 1.072 1.216 -5.295 91 HB2 LEU 18 1HB LEU 18 0.787 0.499 -7.431 92 HB3 LEU 18 2HB LEU 18 -0.872 -0.024 -7.149 93 HG LEU 18 HG LEU 18 -1.415 2.504 -7.098 94 HD11 LEU 18 1HD1 LEU 18 0.306 3.881 -7.349 95 HD12 LEU 18 2HD1 LEU 18 0.479 3.281 -8.998 96 HD13 LEU 18 3HD1 LEU 18 1.400 2.540 -7.689 97 HD21 LEU 18 3HD2 LEU 18 -2.183 2.274 -9.210 98 HD22 LEU 18 1HD2 LEU 18 -1.665 0.603 -8.980 99 HD23 LEU 18 2HD2 LEU 18 -0.622 1.739 -9.837 100 H LEU 19 H LEU 19 -2.412 0.690 -4.937 101 HA LEU 19 HA LEU 19 -3.202 3.375 -4.863 102 HB2 LEU 19 1HB LEU 19 -4.405 0.962 -3.516 103 HB3 LEU 19 2HB LEU 19 -5.192 2.534 -3.636 104 HG LEU 19 HG LEU 19 -4.336 1.128 -6.128 105 HD11 LEU 19 1HD1 LEU 19 -6.794 0.502 -4.504 106 HD12 LEU 19 2HD1 LEU 19 -5.507 -0.609 -4.972 107 HD13 LEU 19 3HD1 LEU 19 -6.582 0.061 -6.199 108 HD21 LEU 19 3HD2 LEU 19 -5.222 3.058 -6.851 109 HD22 LEU 19 1HD2 LEU 19 -6.078 3.350 -5.337 110 HD23 LEU 19 2HD2 LEU 19 -6.770 2.268 -6.545 111 H LEU 20 H LEU 20 -2.223 1.181 -2.255 112 HA LEU 20 HA LEU 20 -2.736 2.739 -0.050 113 HB2 LEU 20 1HB LEU 20 -1.937 0.490 0.172 114 HB3 LEU 20 2HB LEU 20 -0.405 0.910 -0.592 115 HG LEU 20 HG LEU 20 0.120 2.342 1.367 116 HD11 LEU 20 1HD1 LEU 20 -1.966 2.920 2.262 117 HD12 LEU 20 2HD1 LEU 20 -1.261 1.816 3.443 118 HD13 LEU 20 3HD1 LEU 20 -2.501 1.240 2.329 119 HD21 LEU 20 3HD2 LEU 20 1.248 0.457 1.788 120 HD22 LEU 20 1HD2 LEU 20 -0.117 -0.569 1.343 121 HD23 LEU 20 2HD2 LEU 20 -0.025 0.122 2.963 122 H ILE 21 H ILE 21 0.255 2.731 -1.985 123 HA ILE 21 HA ILE 21 1.567 4.768 -0.579 124 HB ILE 21 HB ILE 21 1.846 4.024 -3.493 125 HG12 ILE 21 1HG1 ILE 21 3.622 3.201 -1.199 126 HG13 ILE 21 2HG1 ILE 21 2.238 2.237 -1.703 127 HG21 ILE 21 1HG2 ILE 21 3.400 5.597 -3.708 128 HG22 ILE 21 2HG2 ILE 21 2.893 6.227 -2.141 129 HG23 ILE 21 3HG2 ILE 21 4.218 5.068 -2.238 130 HD11 ILE 21 3HD1 ILE 21 3.212 1.651 -3.705 131 HD12 ILE 21 1HD1 ILE 21 4.303 3.036 -3.701 132 HD13 ILE 21 2HD1 ILE 21 4.594 1.681 -2.610 133 H ASP 22 H ASP 22 0.081 5.071 -3.810 134 HA ASP 22 HA ASP 22 0.151 7.721 -4.219 135 HB2 ASP 22 1HB ASP 22 -1.078 5.813 -5.535 136 HB3 ASP 22 2HB ASP 22 -2.493 6.381 -4.654 137 H ALA 23 H ALA 23 -2.052 6.081 -2.009 138 HA ALA 23 HA ALA 23 -3.542 8.422 -1.337 139 HB1 ALA 23 3HB ALA 23 -3.485 5.612 -0.516 140 HB2 ALA 23 1HB ALA 23 -3.938 6.736 0.766 141 HB3 ALA 23 2HB ALA 23 -4.852 6.703 -0.742 142 H CYS 24 H CYS 24 -0.935 6.616 0.269 143 HA CYS 24 HA CYS 24 -0.728 8.016 2.621 144 HB2 CYS 24 1HB CYS 24 1.565 6.980 0.941 145 HB3 CYS 24 2HB CYS 24 1.644 7.368 2.655 146 HG CYS 24 HG CYS 24 0.382 4.650 1.130 147 H GLU 25 H GLU 25 0.503 8.913 -0.559 148 HA GLU 25 HA GLU 25 1.651 11.372 0.508 149 HB2 GLU 25 1HB GLU 25 1.674 10.130 -2.242 150 HB3 GLU 25 2HB GLU 25 2.349 11.717 -1.901 151 HG2 GLU 25 1HG GLU 25 3.775 10.554 -0.145 152 HG3 GLU 25 2HG GLU 25 3.274 9.045 -0.906 153 H THR 26 H THR 26 -1.054 10.260 -1.405 154 HA THR 26 HA THR 26 -1.858 12.875 -2.272 155 HB THR 26 HB THR 26 -3.273 10.208 -2.310 156 HG1 THR 26 HG1 THR 26 -1.417 10.924 -3.794 157 HG21 THR 26 3HG2 THR 26 -5.054 11.736 -2.180 158 HG22 THR 26 1HG2 THR 26 -4.848 11.447 -3.907 159 HG23 THR 26 2HG2 THR 26 -4.221 12.926 -3.179 160 H LEU 27 H LEU 27 -3.663 10.532 -0.282 161 HA LEU 27 HA LEU 27 -5.222 12.599 0.929 162 HB2 LEU 27 1HB LEU 27 -4.944 9.716 1.762 163 HB3 LEU 27 2HB LEU 27 -6.234 10.825 2.223 164 HG LEU 27 HG LEU 27 -5.725 9.845 -0.585 165 HD11 LEU 27 1HD1 LEU 27 -6.596 7.941 0.230 166 HD12 LEU 27 2HD1 LEU 27 -8.120 8.823 0.134 167 HD13 LEU 27 3HD1 LEU 27 -7.251 8.729 1.666 168 HD21 LEU 27 3HD2 LEU 27 -7.820 11.599 0.659 169 HD22 LEU 27 1HD2 LEU 27 -8.101 10.732 -0.850 170 HD23 LEU 27 2HD2 LEU 27 -6.803 11.921 -0.746 171 H GLY 28 H GLY 28 -2.597 10.484 2.045 172 HA2 GLY 28 1HA GLY 28 -0.898 11.394 3.510 173 HA3 GLY 28 2HA GLY 28 -2.142 12.395 4.245 174 H LEU 29 H LEU 29 -0.180 10.111 5.093 175 HA LEU 29 HA LEU 29 -1.749 7.987 6.063 176 HB2 LEU 29 1HB LEU 29 0.916 9.097 6.893 177 HB3 LEU 29 2HB LEU 29 0.194 7.698 7.685 178 HG LEU 29 HG LEU 29 0.644 7.720 4.721 179 HD11 LEU 29 1HD1 LEU 29 2.732 8.245 6.264 180 HD12 LEU 29 2HD1 LEU 29 2.843 7.163 4.876 181 HD13 LEU 29 3HD1 LEU 29 2.678 6.498 6.501 182 HD21 LEU 29 3HD2 LEU 29 -0.613 5.961 6.381 183 HD22 LEU 29 1HD2 LEU 29 1.017 5.290 6.312 184 HD23 LEU 29 2HD2 LEU 29 0.105 5.547 4.824 185 H GLY 30 H GLY 30 -1.232 11.205 7.222 186 HA2 GLY 30 1HA GLY 30 -1.638 11.099 9.912 187 HA3 GLY 30 2HA GLY 30 -2.332 12.352 8.894 188 H ASN 31 H ASN 31 -4.012 10.436 7.427 189 HA ASN 31 HA ASN 31 -5.903 9.660 9.541 190 HB2 ASN 31 1HB ASN 31 -6.482 11.870 8.393 191 HB3 ASN 31 2HB ASN 31 -6.793 10.915 6.946 192 HD21 ASN 31 1HD2 ASN 31 -8.955 11.289 6.837 193 HD22 ASN 31 2HD2 ASN 31 -10.086 10.710 8.007 194 H TRP 32 H TRP 32 -5.441 7.488 9.324 195 HA TRP 32 HA TRP 32 -5.162 6.085 6.923 196 HB2 TRP 32 1HB TRP 32 -5.987 5.227 9.691 197 HB3 TRP 32 2HB TRP 32 -5.861 4.077 8.363 198 HD1 TRP 32 HD1 TRP 32 -3.838 5.615 11.034 199 HE1 TRP 32 HE1 TRP 32 -1.339 5.108 10.688 200 HE3 TRP 32 HE3 TRP 32 -4.022 3.866 6.233 201 HZ2 TRP 32 HZ2 TRP 32 0.334 4.100 8.649 202 HZ3 TRP 32 HZ3 TRP 32 -1.928 3.151 5.158 203 HH2 TRP 32 HH2 TRP 32 0.204 3.267 6.342 204 H ALA 33 H ALA 33 -8.023 6.920 8.791 205 HA ALA 33 HA ALA 33 -9.951 5.303 7.731 206 HB1 ALA 33 3HB ALA 33 -10.627 6.781 9.413 207 HB2 ALA 33 1HB ALA 33 -10.051 8.194 8.529 208 HB3 ALA 33 2HB ALA 33 -11.488 7.332 7.976 209 H ASP 34 H ASP 34 -8.716 8.315 6.306 210 HA ASP 34 HA ASP 34 -10.380 8.237 4.016 211 HB2 ASP 34 1HB ASP 34 -7.957 9.760 4.842 212 HB3 ASP 34 2HB ASP 34 -8.366 9.740 3.129 213 H ILE 35 H ILE 35 -6.929 7.439 4.424 214 HA ILE 35 HA ILE 35 -6.343 6.578 1.886 215 HB ILE 35 HB ILE 35 -5.359 5.400 4.486 216 HG12 ILE 35 1HG1 ILE 35 -4.143 7.481 2.655 217 HG13 ILE 35 2HG1 ILE 35 -4.932 7.818 4.192 218 HG21 ILE 35 1HG2 ILE 35 -5.015 4.414 1.885 219 HG22 ILE 35 2HG2 ILE 35 -3.500 5.208 2.310 220 HG23 ILE 35 3HG2 ILE 35 -4.147 3.933 3.342 221 HD11 ILE 35 3HD1 ILE 35 -2.406 7.759 4.185 222 HD12 ILE 35 1HD1 ILE 35 -3.216 6.791 5.415 223 HD13 ILE 35 2HD1 ILE 35 -2.548 6.013 3.980 224 H ALA 36 H ALA 36 -7.785 4.682 4.518 225 HA ALA 36 HA ALA 36 -7.859 2.179 3.420 226 HB1 ALA 36 3HB ALA 36 -10.318 3.187 4.774 227 HB2 ALA 36 1HB ALA 36 -9.479 1.647 4.961 228 HB3 ALA 36 2HB ALA 36 -8.802 3.112 5.672 229 H ASP 37 H ASP 37 -10.339 4.702 2.974 230 HA ASP 37 HA ASP 37 -11.961 3.275 1.201 231 HB2 ASP 37 1HB ASP 37 -12.470 5.474 2.401 232 HB3 ASP 37 2HB ASP 37 -11.584 6.265 1.100 233 H TYR 38 H TYR 38 -8.930 4.846 0.720 234 HA TYR 38 HA TYR 38 -9.192 5.015 -2.154 235 HB2 TYR 38 1HB TYR 38 -7.843 6.630 -0.754 236 HB3 TYR 38 2HB TYR 38 -6.677 5.334 -0.512 237 HD1 TYR 38 HD1 TYR 38 -5.493 4.374 -2.520 238 HD2 TYR 38 HD2 TYR 38 -7.829 7.924 -2.727 239 HE1 TYR 38 HE1 TYR 38 -4.375 4.980 -4.625 240 HE2 TYR 38 HE2 TYR 38 -6.719 8.539 -4.834 241 HH TYR 38 HH TYR 38 -4.907 8.089 -6.159 242 H VAL 39 H VAL 39 -7.574 2.952 0.206 243 HA VAL 39 HA VAL 39 -6.273 1.347 -1.795 244 HB VAL 39 HB VAL 39 -6.655 0.837 1.159 245 HG11 VAL 39 1HG1 VAL 39 -4.403 -0.437 -0.192 246 HG12 VAL 39 2HG1 VAL 39 -5.567 -1.107 0.954 247 HG13 VAL 39 3HG1 VAL 39 -5.974 -1.001 -0.759 248 HG21 VAL 39 3HG2 VAL 39 -4.828 2.522 -0.352 249 HG22 VAL 39 1HG2 VAL 39 -5.166 2.486 1.378 250 HG23 VAL 39 2HG2 VAL 39 -3.990 1.368 0.686 251 H GLY 40 H GLY 40 -8.503 0.300 0.781 252 HA2 GLY 40 1HA GLY 40 -10.321 -1.111 0.717 253 HA3 GLY 40 2HA GLY 40 -10.379 -0.863 -1.022 254 H ASN 41 H ASN 41 -10.303 -2.735 -2.056 255 HA ASN 41 HA ASN 41 -9.849 -4.915 -2.554 256 HB2 ASN 41 1HB ASN 41 -7.076 -4.481 -1.491 257 HB3 ASN 41 2HB ASN 41 -7.590 -5.374 -2.919 258 HD21 ASN 41 1HD2 ASN 41 -6.237 -2.558 -1.814 259 HD22 ASN 41 2HD2 ASN 41 -6.444 -1.582 -3.225 260 H ALA 42 H ALA 42 -11.124 -4.771 -0.165 261 HA ALA 42 HA ALA 42 -11.653 -6.114 1.603 262 HB1 ALA 42 3HB ALA 42 -9.544 -7.997 1.711 263 HB2 ALA 42 1HB ALA 42 -11.198 -8.233 1.145 264 HB3 ALA 42 2HB ALA 42 -9.940 -7.735 0.013 265 H ARG 43 H ARG 43 -9.702 -3.849 1.693 266 HA ARG 43 HA ARG 43 -8.387 -4.562 4.232 267 HB2 ARG 43 1HB ARG 43 -7.436 -2.431 2.318 268 HB3 ARG 43 2HB ARG 43 -6.591 -3.067 3.723 269 HG2 ARG 43 1HG ARG 43 -7.249 -4.665 1.259 270 HG3 ARG 43 2HG ARG 43 -5.697 -3.887 1.572 271 HD2 ARG 43 1HD ARG 43 -5.292 -5.271 3.463 272 HD3 ARG 43 2HD ARG 43 -6.944 -5.888 3.443 273 HE ARG 43 HE ARG 43 -5.414 -6.437 1.056 274 HH11 ARG 43 1HH1 ARG 43 -6.354 -7.547 4.219 275 HH12 ARG 43 2HH1 ARG 43 -6.039 -9.214 3.871 276 HH21 ARG 43 1HH2 ARG 43 -4.996 -8.630 0.585 277 HH22 ARG 43 2HH2 ARG 43 -5.265 -9.829 1.804 278 H THR 44 H THR 44 -7.853 -2.453 5.503 279 HA THR 44 HA THR 44 -9.760 -0.314 5.212 280 HB THR 44 HB THR 44 -11.191 -1.943 6.319 281 HG1 THR 44 HG1 THR 44 -11.314 -0.639 8.446 282 HG21 THR 44 3HG2 THR 44 -9.516 -3.345 7.369 283 HG22 THR 44 1HG2 THR 44 -10.636 -2.747 8.593 284 HG23 THR 44 2HG2 THR 44 -9.035 -2.023 8.433 285 H LYS 45 H LYS 45 -9.459 1.378 6.842 286 HA LYS 45 HA LYS 45 -6.887 2.193 7.188 287 HB2 LYS 45 1HB LYS 45 -7.702 3.673 8.985 288 HB3 LYS 45 2HB LYS 45 -8.779 3.663 7.594 289 HG2 LYS 45 1HG LYS 45 -10.430 2.498 8.713 290 HG3 LYS 45 2HG LYS 45 -9.304 1.846 9.906 291 HD2 LYS 45 1HD LYS 45 -9.658 4.794 9.793 292 HD3 LYS 45 2HD LYS 45 -10.969 3.831 10.480 293 HE2 LYS 45 1HE LYS 45 -9.739 4.172 12.367 294 HE3 LYS 45 2HE LYS 45 -8.957 2.704 11.784 295 HZ1 LYS 45 3HZ LYS 45 -7.864 5.308 12.123 296 HZ2 LYS 45 1HZ LYS 45 -7.639 4.763 10.538 297 HZ3 LYS 45 2HZ LYS 45 -7.070 3.842 11.837 298 H GLU 46 H GLU 46 -8.744 0.097 9.327 299 HA GLU 46 HA GLU 46 -6.894 0.037 11.458 300 HB2 GLU 46 1HB GLU 46 -9.024 -1.913 10.581 301 HB3 GLU 46 2HB GLU 46 -8.065 -2.136 12.038 302 HG2 GLU 46 1HG GLU 46 -9.616 0.382 11.573 303 HG3 GLU 46 2HG GLU 46 -10.379 -1.058 12.246 304 H GLU 47 H GLU 47 -7.153 -1.779 8.471 305 HA GLU 47 HA GLU 47 -4.955 -3.534 9.245 306 HB2 GLU 47 1HB GLU 47 -6.822 -3.465 6.884 307 HB3 GLU 47 2HB GLU 47 -5.398 -4.495 6.907 308 HG2 GLU 47 1HG GLU 47 -7.717 -4.586 8.820 309 HG3 GLU 47 2HG GLU 47 -7.329 -5.763 7.566 310 H CYS 48 H CYS 48 -5.716 -1.565 6.366 311 HA CYS 48 HA CYS 48 -3.352 -1.512 5.086 312 HB2 CYS 48 1HB CYS 48 -5.128 0.883 5.596 313 HB3 CYS 48 2HB CYS 48 -3.878 0.808 4.359 314 HG CYS 48 HG CYS 48 -6.843 -0.867 4.458 315 H ARG 49 H ARG 49 -4.131 0.339 7.990 316 HA ARG 49 HA ARG 49 -1.865 1.946 8.129 317 HB2 ARG 49 1HB ARG 49 -3.685 2.356 9.622 318 HB3 ARG 49 2HB ARG 49 -3.570 0.739 10.306 319 HG2 ARG 49 1HG ARG 49 -1.473 1.279 11.355 320 HG3 ARG 49 2HG ARG 49 -1.450 2.859 10.572 321 HD2 ARG 49 1HD ARG 49 -3.097 3.708 11.932 322 HD3 ARG 49 2HD ARG 49 -3.791 2.121 12.259 323 HE ARG 49 HE ARG 49 -1.375 1.983 13.455 324 HH11 ARG 49 1HH1 ARG 49 -3.974 4.295 13.602 325 HH12 ARG 49 2HH1 ARG 49 -3.641 4.761 15.237 326 HH21 ARG 49 1HH2 ARG 49 -0.927 2.588 15.608 327 HH22 ARG 49 2HH2 ARG 49 -1.907 3.790 16.377 328 H ASP 50 H ASP 50 -2.321 -0.893 10.226 329 HA ASP 50 HA ASP 50 0.342 -1.198 10.929 330 HB2 ASP 50 1HB ASP 50 -1.741 -2.345 11.906 331 HB3 ASP 50 2HB ASP 50 -1.527 -3.541 10.630 332 H HIS 51 H HIS 51 -1.372 -2.341 8.098 333 HA HIS 51 HA HIS 51 0.447 -4.234 7.157 334 HB2 HIS 51 1HB HIS 51 -1.611 -4.166 6.037 335 HB3 HIS 51 2HB HIS 51 -1.524 -2.425 5.787 336 HD1 HIS 51 HD1 HIS 51 0.289 -5.553 4.605 337 HD2 HIS 51 HD2 HIS 51 -0.695 -1.731 3.305 338 HE1 HIS 51 HE1 HIS 51 1.066 -5.434 2.216 339 HE2 HIS 51 HE2 HIS 51 0.537 -3.085 1.477 340 H TYR 52 H TYR 52 0.263 -0.753 6.432 341 HA TYR 52 HA TYR 52 2.602 -0.729 4.822 342 HB2 TYR 52 1HB TYR 52 0.865 0.993 4.627 343 HB3 TYR 52 2HB TYR 52 1.219 1.547 6.259 344 HD1 TYR 52 HD2 TYR 52 3.795 2.159 6.636 345 HD2 TYR 52 HD1 TYR 52 1.801 2.167 2.878 346 HE1 TYR 52 HE2 TYR 52 5.487 3.708 5.749 347 HE2 TYR 52 HE1 TYR 52 3.488 3.716 1.980 348 HH TYR 52 HH TYR 52 5.112 5.304 2.726 349 H LEU 53 H LEU 53 2.019 -0.463 8.236 350 HA LEU 53 HA LEU 53 4.602 0.630 8.866 351 HB2 LEU 53 1HB LEU 53 2.364 -0.522 10.500 352 HB3 LEU 53 2HB LEU 53 3.908 -0.081 11.226 353 HG LEU 53 HG LEU 53 2.280 1.904 9.667 354 HD11 LEU 53 1HD1 LEU 53 0.784 1.094 11.358 355 HD12 LEU 53 2HD1 LEU 53 1.393 2.672 11.853 356 HD13 LEU 53 3HD1 LEU 53 2.042 1.207 12.589 357 HD21 LEU 53 3HD2 LEU 53 4.703 1.919 11.329 358 HD22 LEU 53 1HD2 LEU 53 3.565 3.228 11.652 359 HD23 LEU 53 2HD2 LEU 53 4.210 3.000 10.025 360 H LYS 54 H LYS 54 3.366 -2.470 8.180 361 HA LYS 54 HA LYS 54 5.680 -3.773 9.443 362 HB2 LYS 54 1HB LYS 54 4.465 -5.766 9.531 363 HB3 LYS 54 2HB LYS 54 3.260 -4.539 9.901 364 HG2 LYS 54 1HG LYS 54 2.304 -4.688 7.749 365 HG3 LYS 54 2HG LYS 54 3.664 -5.627 7.131 366 HD2 LYS 54 1HD LYS 54 2.115 -6.714 9.430 367 HD3 LYS 54 2HD LYS 54 1.392 -6.782 7.821 368 HE2 LYS 54 1HE LYS 54 2.505 -8.789 7.880 369 HE3 LYS 54 2HE LYS 54 3.729 -7.753 7.147 370 HZ1 LYS 54 3HZ LYS 54 4.982 -7.732 9.051 371 HZ2 LYS 54 1HZ LYS 54 4.341 -9.296 9.125 372 HZ3 LYS 54 2HZ LYS 54 3.672 -8.062 10.069 373 H THR 55 H THR 55 4.664 -2.576 6.525 374 HA THR 55 HA THR 55 6.216 -4.554 4.992 375 HB THR 55 HB THR 55 4.152 -2.575 4.006 376 HG1 THR 55 HG1 THR 55 4.117 -5.417 4.258 377 HG21 THR 55 3HG2 THR 55 6.153 -3.212 2.484 378 HG22 THR 55 1HG2 THR 55 4.518 -3.322 1.834 379 HG23 THR 55 2HG2 THR 55 5.354 -4.780 2.370 380 H TYR 56 H TYR 56 5.692 -1.083 5.463 381 HA TYR 56 HA TYR 56 7.972 -0.416 3.799 382 HB2 TYR 56 1HB TYR 56 6.068 1.286 5.414 383 HB3 TYR 56 2HB TYR 56 7.398 1.939 4.464 384 HD1 TYR 56 HD1 TYR 56 4.519 -0.410 4.010 385 HD2 TYR 56 HD2 TYR 56 6.886 2.716 2.358 386 HE1 TYR 56 HE1 TYR 56 3.072 -0.373 2.022 387 HE2 TYR 56 HE2 TYR 56 5.444 2.762 0.365 388 HH TYR 56 HH TYR 56 3.711 0.615 -0.700 389 H ILE 57 H ILE 57 7.057 0.437 7.142 390 HA ILE 57 HA ILE 57 9.562 1.297 7.972 391 HB ILE 57 HB ILE 57 7.457 -0.049 9.670 392 HG12 ILE 57 1HG1 ILE 57 6.530 1.854 8.471 393 HG13 ILE 57 2HG1 ILE 57 6.731 2.268 10.170 394 HG21 ILE 57 1HG2 ILE 57 8.474 1.200 11.523 395 HG22 ILE 57 2HG2 ILE 57 9.605 0.060 10.796 396 HG23 ILE 57 3HG2 ILE 57 9.731 1.780 10.430 397 HD11 ILE 57 3HD1 ILE 57 7.835 3.520 7.831 398 HD12 ILE 57 1HD1 ILE 57 7.792 4.088 9.500 399 HD13 ILE 57 2HD1 ILE 57 9.108 3.047 8.956 400 H GLU 58 H GLU 58 8.121 -1.942 8.229 401 HA GLU 58 HA GLU 58 9.847 -3.374 9.669 402 HB2 GLU 58 1HB GLU 58 9.419 -5.294 8.287 403 HB3 GLU 58 2HB GLU 58 7.962 -4.312 8.339 404 HG2 GLU 58 1HG GLU 58 8.096 -4.886 6.115 405 HG3 GLU 58 2HG GLU 58 8.850 -3.293 6.140 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -15.373 -12.018 -12.423 2 HA2 GLY 1 1HA GLY 1 -14.144 -9.555 -13.429 3 HA3 GLY 1 2HA GLY 1 -14.343 -9.994 -11.740 4 H SER 2 H SER 2 -11.961 -9.033 -12.367 5 HA SER 2 HA SER 2 -10.216 -11.382 -12.708 6 HB2 SER 2 1HB SER 2 -9.993 -9.503 -14.385 7 HB3 SER 2 2HB SER 2 -9.422 -8.485 -13.062 8 HG SER 2 HG SER 2 -7.565 -9.492 -13.085 9 H SER 3 H SER 3 -11.392 -10.950 -10.234 10 HA SER 3 HA SER 3 -10.164 -9.397 -8.362 11 HB2 SER 3 1HB SER 3 -11.031 -12.281 -8.052 12 HB3 SER 3 2HB SER 3 -10.678 -11.191 -6.712 13 HG SER 3 HG SER 3 -12.957 -11.469 -8.010 14 H GLY 4 H GLY 4 -9.094 -12.669 -9.306 15 HA2 GLY 4 1HA GLY 4 -7.020 -13.652 -9.245 16 HA3 GLY 4 2HA GLY 4 -6.353 -12.026 -9.285 17 H SER 5 H SER 5 -8.362 -13.645 -6.841 18 HA SER 5 HA SER 5 -6.224 -13.104 -4.885 19 HB2 SER 5 1HB SER 5 -9.203 -12.923 -4.710 20 HB3 SER 5 2HB SER 5 -8.298 -13.353 -3.258 21 HG SER 5 HG SER 5 -7.440 -11.163 -4.776 22 H SER 6 H SER 6 -5.166 -15.075 -5.157 23 HA SER 6 HA SER 6 -6.300 -17.261 -3.671 24 HB2 SER 6 1HB SER 6 -5.784 -17.542 -6.637 25 HB3 SER 6 2HB SER 6 -5.941 -18.918 -5.545 26 HG SER 6 HG SER 6 -8.042 -18.383 -5.168 27 H GLY 7 H GLY 7 -4.752 -18.858 -3.101 28 HA2 GLY 7 1HA GLY 7 -2.512 -19.774 -3.325 29 HA3 GLY 7 2HA GLY 7 -1.967 -18.171 -3.796 30 H PHE 8 H PHE 8 -0.444 -17.847 -2.241 31 HA PHE 8 HA PHE 8 -0.956 -18.401 0.529 32 HB2 PHE 8 1HB PHE 8 1.290 -16.718 -0.581 33 HB3 PHE 8 2HB PHE 8 1.256 -17.609 0.937 34 HD1 PHE 8 HD2 PHE 8 0.991 -20.187 0.733 35 HD2 PHE 8 HD1 PHE 8 2.292 -17.656 -2.431 36 HE1 PHE 8 HE2 PHE 8 2.033 -22.119 -0.378 37 HE2 PHE 8 HE1 PHE 8 3.336 -19.584 -3.549 38 HZ PHE 8 HZ PHE 8 3.208 -21.818 -2.522 39 H ASP 9 H ASP 9 -2.426 -17.195 1.552 40 HA ASP 9 HA ASP 9 -2.861 -14.426 0.910 41 HB2 ASP 9 1HB ASP 9 -4.084 -16.418 2.757 42 HB3 ASP 9 2HB ASP 9 -4.303 -14.711 3.135 43 H GLU 10 H GLU 10 -0.239 -14.669 1.595 44 HA GLU 10 HA GLU 10 -0.137 -13.307 4.204 45 HB2 GLU 10 1HB GLU 10 0.847 -15.697 4.074 46 HB3 GLU 10 2HB GLU 10 2.149 -14.953 3.156 47 HG2 GLU 10 1HG GLU 10 2.883 -13.701 4.967 48 HG3 GLU 10 2HG GLU 10 1.356 -13.875 5.830 49 H ASN 11 H ASN 11 -0.472 -12.013 1.728 50 HA ASN 11 HA ASN 11 1.565 -10.077 1.853 51 HB2 ASN 11 1HB ASN 11 2.868 -10.460 -0.052 52 HB3 ASN 11 2HB ASN 11 2.704 -12.068 0.649 53 HD21 ASN 11 1HD2 ASN 11 1.866 -13.646 -0.550 54 HD22 ASN 11 2HD2 ASN 11 1.158 -13.438 -2.112 55 H TRP 12 H TRP 12 1.270 -8.351 0.278 56 HA TRP 12 HA TRP 12 -1.528 -8.163 -0.526 57 HB2 TRP 12 1HB TRP 12 0.671 -6.181 -0.067 58 HB3 TRP 12 2HB TRP 12 -0.712 -5.727 -1.058 59 HD1 TRP 12 HD1 TRP 12 -0.783 -7.799 2.214 60 HE1 TRP 12 HE1 TRP 12 -2.297 -6.574 3.897 61 HE3 TRP 12 HE3 TRP 12 -1.814 -3.607 -0.524 62 HZ2 TRP 12 HZ2 TRP 12 -3.738 -4.151 4.044 63 HZ3 TRP 12 HZ3 TRP 12 -3.269 -1.884 0.460 64 HH2 TRP 12 HH2 TRP 12 -4.210 -2.153 2.697 65 H GLY 13 H GLY 13 -1.630 -6.522 -2.595 66 HA2 GLY 13 1HA GLY 13 -0.054 -7.872 -4.701 67 HA3 GLY 13 2HA GLY 13 -1.747 -7.444 -4.902 68 H ALA 14 H ALA 14 0.318 -6.649 -6.654 69 HA ALA 14 HA ALA 14 1.460 -4.180 -6.275 70 HB1 ALA 14 3HB ALA 14 1.034 -3.918 -8.825 71 HB2 ALA 14 1HB ALA 14 2.077 -5.216 -8.244 72 HB3 ALA 14 2HB ALA 14 0.411 -5.563 -8.707 73 H ASP 15 H ASP 15 -1.886 -4.944 -6.957 74 HA ASP 15 HA ASP 15 -2.733 -2.337 -7.658 75 HB2 ASP 15 1HB ASP 15 -3.953 -4.603 -7.958 76 HB3 ASP 15 2HB ASP 15 -4.516 -4.346 -6.309 77 H GLU 16 H GLU 16 -3.591 -4.086 -4.674 78 HA GLU 16 HA GLU 16 -4.326 -1.799 -3.242 79 HB2 GLU 16 1HB GLU 16 -3.982 -3.297 -1.210 80 HB3 GLU 16 2HB GLU 16 -5.118 -3.864 -2.426 81 HG2 GLU 16 1HG GLU 16 -2.300 -4.755 -2.646 82 HG3 GLU 16 2HG GLU 16 -3.290 -5.444 -1.360 83 H GLU 17 H GLU 17 -1.247 -2.949 -4.090 84 HA GLU 17 HA GLU 17 0.149 -1.741 -1.861 85 HB2 GLU 17 1HB GLU 17 0.970 -3.242 -4.319 86 HB3 GLU 17 2HB GLU 17 2.164 -2.292 -3.446 87 HG2 GLU 17 1HG GLU 17 1.260 -3.602 -1.375 88 HG3 GLU 17 2HG GLU 17 0.705 -4.744 -2.598 89 H LEU 18 H LEU 18 -0.525 -1.019 -5.239 90 HA LEU 18 HA LEU 18 1.162 1.289 -5.344 91 HB2 LEU 18 1HB LEU 18 0.840 0.490 -7.448 92 HB3 LEU 18 2HB LEU 18 -0.815 -0.019 -7.118 93 HG LEU 18 HG LEU 18 -1.334 2.524 -7.134 94 HD11 LEU 18 1HD1 LEU 18 1.036 2.618 -8.958 95 HD12 LEU 18 2HD1 LEU 18 1.201 2.995 -7.243 96 HD13 LEU 18 3HD1 LEU 18 0.113 3.946 -8.254 97 HD21 LEU 18 3HD2 LEU 18 -1.688 0.557 -8.921 98 HD22 LEU 18 1HD2 LEU 18 -0.647 1.624 -9.862 99 HD23 LEU 18 2HD2 LEU 18 -2.172 2.228 -9.214 100 H LEU 19 H LEU 19 -2.329 0.767 -4.982 101 HA LEU 19 HA LEU 19 -3.102 3.458 -4.930 102 HB2 LEU 19 1HB LEU 19 -4.360 1.117 -3.506 103 HB3 LEU 19 2HB LEU 19 -5.132 2.672 -3.812 104 HG LEU 19 HG LEU 19 -4.147 1.080 -6.133 105 HD11 LEU 19 1HD1 LEU 19 -6.642 0.188 -6.051 106 HD12 LEU 19 2HD1 LEU 19 -6.365 0.324 -4.315 107 HD13 LEU 19 3HD1 LEU 19 -5.308 -0.687 -5.300 108 HD21 LEU 19 3HD2 LEU 19 -6.130 3.212 -5.568 109 HD22 LEU 19 1HD2 LEU 19 -6.500 2.074 -6.863 110 HD23 LEU 19 2HD2 LEU 19 -5.017 3.027 -6.924 111 H LEU 20 H LEU 20 -2.349 1.251 -2.241 112 HA LEU 20 HA LEU 20 -2.818 2.841 -0.081 113 HB2 LEU 20 1HB LEU 20 -2.074 0.596 0.212 114 HB3 LEU 20 2HB LEU 20 -0.535 0.943 -0.575 115 HG LEU 20 HG LEU 20 0.028 2.431 1.353 116 HD11 LEU 20 1HD1 LEU 20 -2.694 1.649 2.120 117 HD12 LEU 20 2HD1 LEU 20 -1.749 3.069 2.564 118 HD13 LEU 20 3HD1 LEU 20 -1.497 1.543 3.411 119 HD21 LEU 20 3HD2 LEU 20 1.145 0.652 2.063 120 HD22 LEU 20 1HD2 LEU 20 0.038 -0.396 1.177 121 HD23 LEU 20 2HD2 LEU 20 -0.309 0.036 2.851 122 H ILE 21 H ILE 21 0.231 2.755 -1.923 123 HA ILE 21 HA ILE 21 1.523 4.799 -0.505 124 HB ILE 21 HB ILE 21 1.904 3.979 -3.387 125 HG12 ILE 21 1HG1 ILE 21 3.730 3.219 -1.142 126 HG13 ILE 21 2HG1 ILE 21 2.227 2.328 -1.354 127 HG21 ILE 21 1HG2 ILE 21 2.923 6.209 -2.061 128 HG22 ILE 21 2HG2 ILE 21 4.237 5.033 -2.064 129 HG23 ILE 21 3HG2 ILE 21 3.490 5.524 -3.584 130 HD11 ILE 21 3HD1 ILE 21 2.868 1.663 -3.562 131 HD12 ILE 21 1HD1 ILE 21 4.300 2.690 -3.501 132 HD13 ILE 21 2HD1 ILE 21 4.180 1.281 -2.446 133 H ASP 22 H ASP 22 0.120 5.038 -3.779 134 HA ASP 22 HA ASP 22 0.265 7.666 -4.282 135 HB2 ASP 22 1HB ASP 22 -0.983 5.777 -5.569 136 HB3 ASP 22 2HB ASP 22 -2.399 6.341 -4.686 137 H ALA 23 H ALA 23 -2.033 6.174 -2.058 138 HA ALA 23 HA ALA 23 -3.430 8.596 -1.475 139 HB1 ALA 23 3HB ALA 23 -3.407 6.307 0.431 140 HB2 ALA 23 1HB ALA 23 -4.741 7.346 -0.070 141 HB3 ALA 23 2HB ALA 23 -4.144 6.092 -1.157 142 H CYS 24 H CYS 24 -0.971 6.698 0.261 143 HA CYS 24 HA CYS 24 -0.731 8.115 2.578 144 HB2 CYS 24 1HB CYS 24 1.560 7.031 0.924 145 HB3 CYS 24 2HB CYS 24 1.628 7.421 2.639 146 HG CYS 24 HG CYS 24 -0.282 5.448 3.336 147 H GLU 25 H GLU 25 0.592 8.970 -0.582 148 HA GLU 25 HA GLU 25 1.747 11.419 0.498 149 HB2 GLU 25 1HB GLU 25 1.860 10.090 -2.202 150 HB3 GLU 25 2HB GLU 25 2.461 11.721 -1.944 151 HG2 GLU 25 1HG GLU 25 4.217 9.989 -1.854 152 HG3 GLU 25 2HG GLU 25 4.092 10.944 -0.378 153 H THR 26 H THR 26 -0.886 10.340 -1.548 154 HA THR 26 HA THR 26 -1.630 12.953 -2.444 155 HB THR 26 HB THR 26 -3.091 10.311 -2.485 156 HG1 THR 26 HG1 THR 26 -2.130 10.125 -4.359 157 HG21 THR 26 3HG2 THR 26 -4.808 11.962 -2.378 158 HG22 THR 26 1HG2 THR 26 -4.659 11.484 -4.069 159 HG23 THR 26 2HG2 THR 26 -3.961 13.007 -3.518 160 H LEU 27 H LEU 27 -3.533 10.676 -0.469 161 HA LEU 27 HA LEU 27 -5.084 12.794 0.666 162 HB2 LEU 27 1HB LEU 27 -4.892 9.914 1.531 163 HB3 LEU 27 2HB LEU 27 -6.163 11.056 1.963 164 HG LEU 27 HG LEU 27 -5.625 10.014 -0.818 165 HD11 LEU 27 1HD1 LEU 27 -6.539 8.393 0.932 166 HD12 LEU 27 2HD1 LEU 27 -7.455 8.581 -0.562 167 HD13 LEU 27 3HD1 LEU 27 -7.997 9.386 0.910 168 HD21 LEU 27 3HD2 LEU 27 -7.823 11.762 0.282 169 HD22 LEU 27 1HD2 LEU 27 -7.793 11.064 -1.338 170 HD23 LEU 27 2HD2 LEU 27 -6.568 12.241 -0.862 171 H GLY 28 H GLY 28 -2.539 10.638 1.885 172 HA2 GLY 28 1HA GLY 28 -0.865 11.595 3.376 173 HA3 GLY 28 2HA GLY 28 -2.152 12.542 4.109 174 H LEU 29 H LEU 29 -0.179 10.553 5.205 175 HA LEU 29 HA LEU 29 -1.687 8.267 6.016 176 HB2 LEU 29 1HB LEU 29 0.946 9.449 6.811 177 HB3 LEU 29 2HB LEU 29 0.245 8.123 7.737 178 HG LEU 29 HG LEU 29 0.563 7.806 4.789 179 HD11 LEU 29 1HD1 LEU 29 2.836 7.011 6.518 180 HD12 LEU 29 2HD1 LEU 29 2.711 8.708 6.058 181 HD13 LEU 29 3HD1 LEU 29 2.809 7.463 4.813 182 HD21 LEU 29 3HD2 LEU 29 0.347 5.600 5.232 183 HD22 LEU 29 1HD2 LEU 29 -0.455 6.203 6.682 184 HD23 LEU 29 2HD2 LEU 29 1.235 5.704 6.753 185 H GLY 30 H GLY 30 -1.172 11.471 7.286 186 HA2 GLY 30 1HA GLY 30 -1.664 11.365 9.928 187 HA3 GLY 30 2HA GLY 30 -2.419 12.575 8.900 188 H ASN 31 H ASN 31 -4.021 10.647 7.424 189 HA ASN 31 HA ASN 31 -5.843 9.691 9.523 190 HB2 ASN 31 1HB ASN 31 -6.439 11.965 8.324 191 HB3 ASN 31 2HB ASN 31 -6.984 10.897 7.035 192 HD21 ASN 31 1HD2 ASN 31 -9.129 11.403 7.268 193 HD22 ASN 31 2HD2 ASN 31 -10.068 10.917 8.635 194 H TRP 32 H TRP 32 -5.334 7.553 9.189 195 HA TRP 32 HA TRP 32 -5.018 6.292 6.713 196 HB2 TRP 32 1HB TRP 32 -5.882 5.198 9.394 197 HB3 TRP 32 2HB TRP 32 -5.542 4.180 7.997 198 HD1 TRP 32 HD1 TRP 32 -3.842 6.128 10.752 199 HE1 TRP 32 HE1 TRP 32 -1.302 5.727 10.636 200 HE3 TRP 32 HE3 TRP 32 -3.607 3.712 6.253 201 HZ2 TRP 32 HZ2 TRP 32 0.555 4.543 8.871 202 HZ3 TRP 32 HZ3 TRP 32 -1.410 2.979 5.422 203 HH2 TRP 32 HH2 TRP 32 0.627 3.387 6.705 204 H ALA 33 H ALA 33 -7.896 6.917 8.640 205 HA ALA 33 HA ALA 33 -9.794 5.313 7.565 206 HB1 ALA 33 3HB ALA 33 -9.832 8.102 8.558 207 HB2 ALA 33 1HB ALA 33 -11.250 7.544 7.670 208 HB3 ALA 33 2HB ALA 33 -10.720 6.685 9.117 209 H ASP 34 H ASP 34 -8.480 8.245 6.073 210 HA ASP 34 HA ASP 34 -10.181 8.155 3.792 211 HB2 ASP 34 1HB ASP 34 -7.602 9.603 4.380 212 HB3 ASP 34 2HB ASP 34 -8.432 9.749 2.834 213 H ILE 35 H ILE 35 -6.959 6.931 4.513 214 HA ILE 35 HA ILE 35 -6.294 6.145 1.878 215 HB ILE 35 HB ILE 35 -5.295 5.064 4.515 216 HG12 ILE 35 1HG1 ILE 35 -3.864 6.953 2.658 217 HG13 ILE 35 2HG1 ILE 35 -4.962 7.545 3.899 218 HG21 ILE 35 1HG2 ILE 35 -3.560 3.979 3.370 219 HG22 ILE 35 2HG2 ILE 35 -5.014 3.594 2.450 220 HG23 ILE 35 3HG2 ILE 35 -3.903 4.833 1.865 221 HD11 ILE 35 3HD1 ILE 35 -2.252 6.946 4.162 222 HD12 ILE 35 1HD1 ILE 35 -3.391 7.363 5.442 223 HD13 ILE 35 2HD1 ILE 35 -3.110 5.671 5.028 224 H ALA 36 H ALA 36 -8.014 4.561 4.499 225 HA ALA 36 HA ALA 36 -8.033 1.947 3.476 226 HB1 ALA 36 3HB ALA 36 -10.209 3.221 5.124 227 HB2 ALA 36 1HB ALA 36 -9.813 1.507 5.007 228 HB3 ALA 36 2HB ALA 36 -8.690 2.621 5.788 229 H ASP 37 H ASP 37 -10.388 4.588 3.106 230 HA ASP 37 HA ASP 37 -12.170 3.140 1.454 231 HB2 ASP 37 1HB ASP 37 -12.661 5.275 2.743 232 HB3 ASP 37 2HB ASP 37 -11.820 6.138 1.458 233 H TYR 38 H TYR 38 -9.210 4.819 0.833 234 HA TYR 38 HA TYR 38 -9.647 5.046 -2.012 235 HB2 TYR 38 1HB TYR 38 -8.269 6.686 -0.749 236 HB3 TYR 38 2HB TYR 38 -7.093 5.415 -0.432 237 HD1 TYR 38 HD1 TYR 38 -5.922 4.341 -2.411 238 HD2 TYR 38 HD2 TYR 38 -8.203 7.917 -2.751 239 HE1 TYR 38 HE1 TYR 38 -4.787 4.857 -4.532 240 HE2 TYR 38 HE2 TYR 38 -7.075 8.442 -4.873 241 HH TYR 38 HH TYR 38 -5.813 7.496 -6.570 242 H VAL 39 H VAL 39 -7.824 2.965 0.182 243 HA VAL 39 HA VAL 39 -6.693 1.418 -1.982 244 HB VAL 39 HB VAL 39 -6.656 0.922 0.999 245 HG11 VAL 39 1HG1 VAL 39 -4.681 -0.295 -0.856 246 HG12 VAL 39 2HG1 VAL 39 -5.313 -0.894 0.679 247 HG13 VAL 39 3HG1 VAL 39 -6.295 -1.004 -0.783 248 HG21 VAL 39 3HG2 VAL 39 -4.521 2.045 -0.814 249 HG22 VAL 39 1HG2 VAL 39 -5.508 2.985 0.305 250 HG23 VAL 39 2HG2 VAL 39 -4.384 1.775 0.923 251 H GLY 40 H GLY 40 -8.555 0.350 0.867 252 HA2 GLY 40 1HA GLY 40 -10.301 -1.137 1.054 253 HA3 GLY 40 2HA GLY 40 -10.599 -0.906 -0.662 254 H ASN 41 H ASN 41 -10.646 -2.813 -1.639 255 HA ASN 41 HA ASN 41 -10.132 -4.940 -2.261 256 HB2 ASN 41 1HB ASN 41 -7.302 -4.498 -1.369 257 HB3 ASN 41 2HB ASN 41 -7.900 -5.355 -2.787 258 HD21 ASN 41 1HD2 ASN 41 -6.400 -2.625 -1.765 259 HD22 ASN 41 2HD2 ASN 41 -6.743 -1.586 -3.102 260 H ALA 42 H ALA 42 -11.334 -5.020 0.078 261 HA ALA 42 HA ALA 42 -11.714 -6.371 1.873 262 HB1 ALA 42 3HB ALA 42 -11.034 -8.497 1.669 263 HB2 ALA 42 1HB ALA 42 -10.341 -7.959 0.139 264 HB3 ALA 42 2HB ALA 42 -9.331 -8.048 1.583 265 H ARG 43 H ARG 43 -9.871 -4.022 1.945 266 HA ARG 43 HA ARG 43 -8.419 -4.731 4.410 267 HB2 ARG 43 1HB ARG 43 -7.651 -2.509 2.518 268 HB3 ARG 43 2HB ARG 43 -6.718 -3.142 3.868 269 HG2 ARG 43 1HG ARG 43 -7.406 -4.698 1.384 270 HG3 ARG 43 2HG ARG 43 -5.877 -3.861 1.662 271 HD2 ARG 43 1HD ARG 43 -5.439 -5.258 3.601 272 HD3 ARG 43 2HD ARG 43 -6.997 -6.058 3.398 273 HE ARG 43 HE ARG 43 -5.400 -6.276 1.055 274 HH11 ARG 43 1HH1 ARG 43 -5.832 -7.567 4.259 275 HH12 ARG 43 2HH1 ARG 43 -5.149 -9.111 3.871 276 HH21 ARG 43 1HH2 ARG 43 -4.499 -8.305 0.531 277 HH22 ARG 43 2HH2 ARG 43 -4.390 -9.529 1.750 278 H THR 44 H THR 44 -7.839 -2.453 5.542 279 HA THR 44 HA THR 44 -9.856 -0.448 5.431 280 HB THR 44 HB THR 44 -11.225 -2.146 6.514 281 HG1 THR 44 HG1 THR 44 -10.338 -0.014 8.175 282 HG21 THR 44 3HG2 THR 44 -9.190 -3.329 7.522 283 HG22 THR 44 1HG2 THR 44 -10.650 -3.250 8.508 284 HG23 THR 44 2HG2 THR 44 -9.308 -2.152 8.830 285 H LYS 45 H LYS 45 -9.499 1.268 6.949 286 HA LYS 45 HA LYS 45 -7.000 2.154 7.312 287 HB2 LYS 45 1HB LYS 45 -7.788 3.507 9.206 288 HB3 LYS 45 2HB LYS 45 -8.957 3.487 7.892 289 HG2 LYS 45 1HG LYS 45 -10.229 1.746 9.112 290 HG3 LYS 45 2HG LYS 45 -9.098 1.917 10.457 291 HD2 LYS 45 1HD LYS 45 -9.755 4.188 10.812 292 HD3 LYS 45 2HD LYS 45 -10.710 4.200 9.328 293 HE2 LYS 45 1HE LYS 45 -11.291 2.318 11.598 294 HE3 LYS 45 2HE LYS 45 -11.973 3.942 11.528 295 HZ1 LYS 45 3HZ LYS 45 -12.585 3.066 9.103 296 HZ2 LYS 45 1HZ LYS 45 -13.605 2.863 10.439 297 HZ3 LYS 45 2HZ LYS 45 -12.607 1.593 9.936 298 H GLU 46 H GLU 46 -8.715 0.156 9.709 299 HA GLU 46 HA GLU 46 -6.718 -0.005 11.624 300 HB2 GLU 46 1HB GLU 46 -8.815 -2.018 10.812 301 HB3 GLU 46 2HB GLU 46 -7.774 -2.229 12.213 302 HG2 GLU 46 1HG GLU 46 -8.799 -0.569 13.404 303 HG3 GLU 46 2HG GLU 46 -9.328 0.292 11.959 304 H GLU 47 H GLU 47 -7.187 -1.941 8.705 305 HA GLU 47 HA GLU 47 -4.840 -3.550 9.277 306 HB2 GLU 47 1HB GLU 47 -6.982 -3.576 7.194 307 HB3 GLU 47 2HB GLU 47 -5.454 -4.373 6.843 308 HG2 GLU 47 1HG GLU 47 -6.990 -4.963 9.346 309 HG3 GLU 47 2HG GLU 47 -7.348 -5.776 7.824 310 H CYS 48 H CYS 48 -5.858 -1.643 6.437 311 HA CYS 48 HA CYS 48 -3.598 -1.479 5.011 312 HB2 CYS 48 1HB CYS 48 -5.535 0.741 5.658 313 HB3 CYS 48 2HB CYS 48 -4.242 0.933 4.480 314 HG CYS 48 HG CYS 48 -7.215 -0.366 4.072 315 H ARG 49 H ARG 49 -4.173 0.154 8.061 316 HA ARG 49 HA ARG 49 -1.922 1.857 8.010 317 HB2 ARG 49 1HB ARG 49 -3.675 2.319 9.569 318 HB3 ARG 49 2HB ARG 49 -3.544 0.718 10.284 319 HG2 ARG 49 1HG ARG 49 -1.497 1.244 11.332 320 HG3 ARG 49 2HG ARG 49 -1.308 2.719 10.382 321 HD2 ARG 49 1HD ARG 49 -2.008 3.361 12.566 322 HD3 ARG 49 2HD ARG 49 -3.380 3.590 11.483 323 HE ARG 49 HE ARG 49 -3.775 1.101 12.470 324 HH11 ARG 49 1HH1 ARG 49 -3.179 4.199 13.943 325 HH12 ARG 49 2HH1 ARG 49 -4.078 3.835 15.379 326 HH21 ARG 49 1HH2 ARG 49 -4.961 0.610 14.356 327 HH22 ARG 49 2HH2 ARG 49 -5.090 1.793 15.613 328 H ASP 50 H ASP 50 -2.374 -1.088 9.977 329 HA ASP 50 HA ASP 50 0.297 -1.375 10.717 330 HB2 ASP 50 1HB ASP 50 -1.943 -3.378 10.465 331 HB3 ASP 50 2HB ASP 50 -0.348 -3.825 11.065 332 H HIS 51 H HIS 51 -1.417 -2.500 7.863 333 HA HIS 51 HA HIS 51 0.420 -4.308 6.843 334 HB2 HIS 51 1HB HIS 51 -1.658 -4.165 5.738 335 HB3 HIS 51 2HB HIS 51 -1.509 -2.426 5.502 336 HD1 HIS 51 HD1 HIS 51 0.492 -5.485 4.411 337 HD2 HIS 51 HD2 HIS 51 -0.918 -1.866 2.936 338 HE1 HIS 51 HE1 HIS 51 1.224 -5.408 2.006 339 HE2 HIS 51 HE2 HIS 51 0.433 -3.172 1.159 340 H TYR 52 H TYR 52 0.362 -0.786 6.588 341 HA TYR 52 HA TYR 52 2.681 -0.692 4.888 342 HB2 TYR 52 1HB TYR 52 0.898 1.034 4.805 343 HB3 TYR 52 2HB TYR 52 1.345 1.543 6.429 344 HD1 TYR 52 HD2 TYR 52 3.984 2.047 6.661 345 HD2 TYR 52 HD1 TYR 52 1.730 2.283 3.060 346 HE1 TYR 52 HE2 TYR 52 5.657 3.586 5.721 347 HE2 TYR 52 HE1 TYR 52 3.397 3.821 2.110 348 HH TYR 52 HH TYR 52 5.416 4.748 2.385 349 H LEU 53 H LEU 53 1.987 -0.162 8.310 350 HA LEU 53 HA LEU 53 4.610 0.700 8.995 351 HB2 LEU 53 1HB LEU 53 2.417 -0.465 10.704 352 HB3 LEU 53 2HB LEU 53 3.889 0.282 11.321 353 HG LEU 53 HG LEU 53 2.011 1.827 9.570 354 HD11 LEU 53 1HD1 LEU 53 0.641 0.903 11.362 355 HD12 LEU 53 2HD1 LEU 53 0.876 2.638 11.572 356 HD13 LEU 53 3HD1 LEU 53 1.791 1.498 12.559 357 HD21 LEU 53 3HD2 LEU 53 2.966 3.610 11.238 358 HD22 LEU 53 1HD2 LEU 53 3.921 3.066 9.858 359 HD23 LEU 53 2HD2 LEU 53 4.239 2.408 11.463 360 H LYS 54 H LYS 54 3.444 -2.276 8.059 361 HA LYS 54 HA LYS 54 5.543 -3.713 9.544 362 HB2 LYS 54 1HB LYS 54 4.265 -5.671 9.438 363 HB3 LYS 54 2HB LYS 54 3.078 -4.415 9.762 364 HG2 LYS 54 1HG LYS 54 2.286 -4.447 7.545 365 HG3 LYS 54 2HG LYS 54 3.671 -5.388 6.984 366 HD2 LYS 54 1HD LYS 54 2.900 -7.275 8.395 367 HD3 LYS 54 2HD LYS 54 1.471 -6.332 8.822 368 HE2 LYS 54 1HE LYS 54 0.909 -6.203 6.404 369 HE3 LYS 54 2HE LYS 54 2.267 -7.276 6.070 370 HZ1 LYS 54 3HZ LYS 54 0.189 -8.497 6.188 371 HZ2 LYS 54 1HZ LYS 54 -0.084 -7.937 7.761 372 HZ3 LYS 54 2HZ LYS 54 1.220 -8.967 7.444 373 H THR 55 H THR 55 4.249 -2.959 6.395 374 HA THR 55 HA THR 55 6.055 -4.762 5.020 375 HB THR 55 HB THR 55 4.141 -2.683 3.944 376 HG1 THR 55 HG1 THR 55 3.946 -5.374 4.611 377 HG21 THR 55 3HG2 THR 55 6.040 -3.081 2.421 378 HG22 THR 55 1HG2 THR 55 4.520 -3.681 1.760 379 HG23 THR 55 2HG2 THR 55 5.686 -4.808 2.455 380 H TYR 56 H TYR 56 5.716 -1.291 5.580 381 HA TYR 56 HA TYR 56 8.057 -0.670 3.999 382 HB2 TYR 56 1HB TYR 56 6.281 1.041 5.747 383 HB3 TYR 56 2HB TYR 56 7.646 1.663 4.826 384 HD1 TYR 56 HD1 TYR 56 4.565 -0.390 4.290 385 HD2 TYR 56 HD2 TYR 56 7.211 2.563 2.747 386 HE1 TYR 56 HE1 TYR 56 3.106 -0.116 2.329 387 HE2 TYR 56 HE2 TYR 56 5.759 2.846 0.782 388 HH TYR 56 HH TYR 56 3.437 0.694 -0.112 389 H ILE 57 H ILE 57 7.210 0.067 7.386 390 HA ILE 57 HA ILE 57 9.807 0.611 8.237 391 HB ILE 57 HB ILE 57 7.496 -0.457 9.862 392 HG12 ILE 57 1HG1 ILE 57 7.009 1.662 8.714 393 HG13 ILE 57 2HG1 ILE 57 7.123 1.892 10.455 394 HG21 ILE 57 1HG2 ILE 57 10.139 0.721 10.673 395 HG22 ILE 57 2HG2 ILE 57 8.745 0.681 11.751 396 HG23 ILE 57 3HG2 ILE 57 9.436 -0.825 11.148 397 HD11 ILE 57 3HD1 ILE 57 9.486 2.653 10.091 398 HD12 ILE 57 1HD1 ILE 57 9.139 2.644 8.362 399 HD13 ILE 57 2HD1 ILE 57 8.234 3.709 9.437 400 H GLU 58 H GLU 58 7.936 -2.354 8.924 401 HA GLU 58 HA GLU 58 10.350 -3.770 9.642 402 HB2 GLU 58 1HB GLU 58 7.470 -4.665 9.450 403 HB3 GLU 58 2HB GLU 58 8.787 -5.690 9.999 404 HG2 GLU 58 1HG GLU 58 9.178 -3.694 11.676 405 HG3 GLU 58 2HG GLU 58 7.471 -3.402 11.351 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -8.010 -22.212 16.480 2 HA2 GLY 1 1HA GLY 1 -9.436 -22.754 18.892 3 HA3 GLY 1 2HA GLY 1 -10.035 -23.739 17.565 4 H SER 2 H SER 2 -7.603 -24.152 16.206 5 HA SER 2 HA SER 2 -6.385 -26.090 18.020 6 HB2 SER 2 1HB SER 2 -5.320 -26.963 15.911 7 HB3 SER 2 2HB SER 2 -7.083 -27.011 15.912 8 HG SER 2 HG SER 2 -6.703 -26.068 14.029 9 H SER 3 H SER 3 -3.951 -26.458 17.585 10 HA SER 3 HA SER 3 -2.526 -23.928 17.201 11 HB2 SER 3 1HB SER 3 -1.159 -24.386 19.243 12 HB3 SER 3 2HB SER 3 -2.851 -24.035 19.597 13 HG SER 3 HG SER 3 -1.618 -26.590 19.504 14 H GLY 4 H GLY 4 -0.806 -24.185 15.935 15 HA2 GLY 4 1HA GLY 4 1.276 -25.809 15.951 16 HA3 GLY 4 2HA GLY 4 0.063 -26.903 15.301 17 H SER 5 H SER 5 -1.092 -26.145 13.330 18 HA SER 5 HA SER 5 0.801 -24.732 11.576 19 HB2 SER 5 1HB SER 5 -1.174 -26.940 11.095 20 HB3 SER 5 2HB SER 5 -0.680 -25.900 9.759 21 HG SER 5 HG SER 5 1.556 -26.478 10.728 22 H SER 6 H SER 6 0.266 -22.691 11.212 23 HA SER 6 HA SER 6 -2.587 -21.973 11.091 24 HB2 SER 6 1HB SER 6 -1.979 -19.747 11.744 25 HB3 SER 6 2HB SER 6 -1.146 -20.852 12.836 26 HG SER 6 HG SER 6 0.060 -19.014 11.743 27 H GLY 7 H GLY 7 -2.893 -19.894 9.677 28 HA2 GLY 7 1HA GLY 7 -1.321 -20.156 7.199 29 HA3 GLY 7 2HA GLY 7 -3.076 -20.207 7.138 30 H PHE 8 H PHE 8 -0.289 -18.187 7.849 31 HA PHE 8 HA PHE 8 -1.987 -15.804 7.879 32 HB2 PHE 8 1HB PHE 8 0.213 -14.658 8.476 33 HB3 PHE 8 2HB PHE 8 -0.438 -15.778 9.668 34 HD1 PHE 8 HD2 PHE 8 0.577 -18.015 9.943 35 HD2 PHE 8 HD1 PHE 8 2.294 -15.053 7.414 36 HE1 PHE 8 HE2 PHE 8 2.702 -19.254 9.940 37 HE2 PHE 8 HE1 PHE 8 4.422 -16.288 7.407 38 HZ PHE 8 HZ PHE 8 4.629 -18.390 8.672 39 H ASP 9 H ASP 9 -2.486 -15.192 5.858 40 HA ASP 9 HA ASP 9 -0.327 -15.084 3.862 41 HB2 ASP 9 1HB ASP 9 -3.319 -15.011 3.413 42 HB3 ASP 9 2HB ASP 9 -2.079 -15.063 2.162 43 H GLU 10 H GLU 10 0.523 -13.110 4.670 44 HA GLU 10 HA GLU 10 -1.212 -10.760 4.398 45 HB2 GLU 10 1HB GLU 10 0.408 -9.555 5.696 46 HB3 GLU 10 2HB GLU 10 0.074 -11.075 6.515 47 HG2 GLU 10 1HG GLU 10 2.375 -10.946 4.639 48 HG3 GLU 10 2HG GLU 10 2.524 -10.187 6.223 49 H ASN 11 H ASN 11 -0.351 -12.081 2.049 50 HA ASN 11 HA ASN 11 1.756 -10.357 0.970 51 HB2 ASN 11 1HB ASN 11 0.424 -12.607 -0.519 52 HB3 ASN 11 2HB ASN 11 2.029 -11.924 -0.764 53 HD21 ASN 11 1HD2 ASN 11 3.672 -13.004 0.048 54 HD22 ASN 11 2HD2 ASN 11 3.585 -14.201 1.291 55 H TRP 12 H TRP 12 0.815 -8.422 0.521 56 HA TRP 12 HA TRP 12 -1.777 -8.130 -0.597 57 HB2 TRP 12 1HB TRP 12 0.561 -6.271 -0.240 58 HB3 TRP 12 2HB TRP 12 -0.883 -5.758 -1.108 59 HD1 TRP 12 HD1 TRP 12 -0.803 -7.862 2.138 60 HE1 TRP 12 HE1 TRP 12 -2.099 -6.576 3.952 61 HE3 TRP 12 HE3 TRP 12 -1.783 -3.566 -0.455 62 HZ2 TRP 12 HZ2 TRP 12 -3.368 -4.072 4.246 63 HZ3 TRP 12 HZ3 TRP 12 -3.044 -1.775 0.665 64 HH2 TRP 12 HH2 TRP 12 -3.820 -2.024 2.967 65 H GLY 13 H GLY 13 -1.723 -6.478 -2.680 66 HA2 GLY 13 1HA GLY 13 -0.201 -7.922 -4.761 67 HA3 GLY 13 2HA GLY 13 -1.888 -7.480 -4.977 68 H ALA 14 H ALA 14 0.367 -6.747 -6.635 69 HA ALA 14 HA ALA 14 1.466 -4.281 -6.309 70 HB1 ALA 14 3HB ALA 14 2.185 -4.987 -8.302 71 HB2 ALA 14 1HB ALA 14 0.719 -5.922 -8.598 72 HB3 ALA 14 2HB ALA 14 0.752 -4.195 -8.957 73 H ASP 15 H ASP 15 -1.843 -4.992 -7.324 74 HA ASP 15 HA ASP 15 -2.626 -2.377 -7.966 75 HB2 ASP 15 1HB ASP 15 -4.162 -4.797 -7.039 76 HB3 ASP 15 2HB ASP 15 -4.965 -3.269 -7.389 77 H GLU 16 H GLU 16 -3.681 -4.137 -5.053 78 HA GLU 16 HA GLU 16 -4.462 -1.849 -3.645 79 HB2 GLU 16 1HB GLU 16 -4.339 -3.340 -1.622 80 HB3 GLU 16 2HB GLU 16 -5.306 -3.967 -2.949 81 HG2 GLU 16 1HG GLU 16 -3.477 -5.421 -3.618 82 HG3 GLU 16 2HG GLU 16 -2.475 -4.772 -2.322 83 H GLU 17 H GLU 17 -1.355 -3.079 -4.295 84 HA GLU 17 HA GLU 17 -0.070 -1.914 -1.986 85 HB2 GLU 17 1HB GLU 17 0.856 -3.388 -4.420 86 HB3 GLU 17 2HB GLU 17 2.019 -2.458 -3.485 87 HG2 GLU 17 1HG GLU 17 0.922 -3.801 -1.484 88 HG3 GLU 17 2HG GLU 17 0.566 -4.940 -2.781 89 H LEU 18 H LEU 18 -0.589 -1.095 -5.363 90 HA LEU 18 HA LEU 18 1.168 1.148 -5.393 91 HB2 LEU 18 1HB LEU 18 0.795 0.455 -7.521 92 HB3 LEU 18 2HB LEU 18 -0.870 -0.019 -7.191 93 HG LEU 18 HG LEU 18 -1.325 2.531 -7.112 94 HD11 LEU 18 1HD1 LEU 18 1.415 2.386 -8.278 95 HD12 LEU 18 2HD1 LEU 18 0.720 3.572 -7.173 96 HD13 LEU 18 3HD1 LEU 18 0.280 3.595 -8.881 97 HD21 LEU 18 3HD2 LEU 18 -0.669 1.735 -9.878 98 HD22 LEU 18 1HD2 LEU 18 -2.181 2.330 -9.192 99 HD23 LEU 18 2HD2 LEU 18 -1.721 0.641 -8.978 100 H LEU 19 H LEU 19 -2.314 0.745 -4.909 101 HA LEU 19 HA LEU 19 -3.002 3.461 -4.813 102 HB2 LEU 19 1HB LEU 19 -4.258 1.093 -3.436 103 HB3 LEU 19 2HB LEU 19 -4.988 2.694 -3.538 104 HG LEU 19 HG LEU 19 -4.287 1.090 -5.984 105 HD11 LEU 19 1HD1 LEU 19 -5.800 -0.247 -4.613 106 HD12 LEU 19 2HD1 LEU 19 -6.613 0.362 -6.054 107 HD13 LEU 19 3HD1 LEU 19 -6.907 1.121 -4.490 108 HD21 LEU 19 3HD2 LEU 19 -6.519 2.699 -6.399 109 HD22 LEU 19 1HD2 LEU 19 -4.878 2.991 -6.974 110 HD23 LEU 19 2HD2 LEU 19 -5.415 3.695 -5.449 111 H LEU 20 H LEU 20 -2.131 1.209 -2.206 112 HA LEU 20 HA LEU 20 -2.492 2.761 0.007 113 HB2 LEU 20 1HB LEU 20 -1.697 0.443 0.046 114 HB3 LEU 20 2HB LEU 20 -0.124 0.977 -0.542 115 HG LEU 20 HG LEU 20 0.166 2.273 1.554 116 HD11 LEU 20 1HD1 LEU 20 -1.783 2.758 2.572 117 HD12 LEU 20 2HD1 LEU 20 -1.504 1.215 3.379 118 HD13 LEU 20 3HD1 LEU 20 -2.580 1.298 1.985 119 HD21 LEU 20 3HD2 LEU 20 0.204 0.108 3.036 120 HD22 LEU 20 1HD2 LEU 20 1.305 0.287 1.670 121 HD23 LEU 20 2HD2 LEU 20 -0.155 -0.689 1.504 122 H ILE 21 H ILE 21 0.344 2.786 -2.131 123 HA ILE 21 HA ILE 21 1.755 4.780 -0.699 124 HB ILE 21 HB ILE 21 1.992 3.987 -3.603 125 HG12 ILE 21 1HG1 ILE 21 3.748 3.175 -1.285 126 HG13 ILE 21 2HG1 ILE 21 2.384 2.207 -1.833 127 HG21 ILE 21 1HG2 ILE 21 3.649 5.460 -3.863 128 HG22 ILE 21 2HG2 ILE 21 3.028 6.231 -2.404 129 HG23 ILE 21 3HG2 ILE 21 4.354 5.074 -2.293 130 HD11 ILE 21 3HD1 ILE 21 4.516 3.027 -3.754 131 HD12 ILE 21 1HD1 ILE 21 4.757 1.653 -2.676 132 HD13 ILE 21 2HD1 ILE 21 3.415 1.652 -3.822 133 H ASP 22 H ASP 22 0.091 5.013 -3.849 134 HA ASP 22 HA ASP 22 0.237 7.673 -4.328 135 HB2 ASP 22 1HB ASP 22 -1.045 5.754 -5.582 136 HB3 ASP 22 2HB ASP 22 -2.433 6.362 -4.683 137 H ALA 23 H ALA 23 -2.019 6.095 -2.109 138 HA ALA 23 HA ALA 23 -3.395 8.498 -1.413 139 HB1 ALA 23 3HB ALA 23 -3.794 5.775 -0.996 140 HB2 ALA 23 1HB ALA 23 -3.556 6.451 0.615 141 HB3 ALA 23 2HB ALA 23 -4.817 7.097 -0.436 142 H CYS 24 H CYS 24 -0.797 6.604 0.073 143 HA CYS 24 HA CYS 24 -0.551 7.903 2.492 144 HB2 CYS 24 1HB CYS 24 0.823 6.042 2.268 145 HB3 CYS 24 2HB CYS 24 1.419 6.545 0.691 146 HG CYS 24 HG CYS 24 3.452 6.556 2.717 147 H GLU 25 H GLU 25 0.720 8.860 -0.662 148 HA GLU 25 HA GLU 25 1.892 11.273 0.480 149 HB2 GLU 25 1HB GLU 25 1.985 9.994 -2.241 150 HB3 GLU 25 2HB GLU 25 2.536 11.645 -1.992 151 HG2 GLU 25 1HG GLU 25 3.924 10.494 -0.053 152 HG3 GLU 25 2HG GLU 25 3.732 9.087 -1.097 153 H THR 26 H THR 26 -0.875 10.240 -1.336 154 HA THR 26 HA THR 26 -1.602 12.894 -2.209 155 HB THR 26 HB THR 26 -3.052 10.249 -2.324 156 HG1 THR 26 HG1 THR 26 -1.188 11.197 -3.811 157 HG21 THR 26 3HG2 THR 26 -4.799 11.314 -3.585 158 HG22 THR 26 1HG2 THR 26 -3.966 12.866 -3.518 159 HG23 THR 26 2HG2 THR 26 -4.636 12.161 -2.047 160 H LEU 27 H LEU 27 -3.397 10.521 -0.239 161 HA LEU 27 HA LEU 27 -4.967 12.573 0.990 162 HB2 LEU 27 1HB LEU 27 -4.677 9.667 1.734 163 HB3 LEU 27 2HB LEU 27 -5.934 10.762 2.304 164 HG LEU 27 HG LEU 27 -5.559 9.811 -0.535 165 HD11 LEU 27 1HD1 LEU 27 -8.082 9.162 0.604 166 HD12 LEU 27 2HD1 LEU 27 -6.813 8.601 1.692 167 HD13 LEU 27 3HD1 LEU 27 -6.825 8.078 0.008 168 HD21 LEU 27 3HD2 LEU 27 -7.529 11.706 0.721 169 HD22 LEU 27 1HD2 LEU 27 -7.818 10.901 -0.822 170 HD23 LEU 27 2HD2 LEU 27 -6.450 11.999 -0.643 171 H GLY 28 H GLY 28 -2.300 10.488 2.045 172 HA2 GLY 28 1HA GLY 28 -0.614 11.286 3.539 173 HA3 GLY 28 2HA GLY 28 -1.793 12.396 4.223 174 H LEU 29 H LEU 29 -0.194 9.480 4.635 175 HA LEU 29 HA LEU 29 -1.855 7.715 5.833 176 HB2 LEU 29 1HB LEU 29 0.855 8.592 6.817 177 HB3 LEU 29 2HB LEU 29 0.017 7.144 7.369 178 HG LEU 29 HG LEU 29 0.934 7.651 4.539 179 HD11 LEU 29 1HD1 LEU 29 2.078 5.738 6.561 180 HD12 LEU 29 2HD1 LEU 29 2.757 7.330 6.225 181 HD13 LEU 29 3HD1 LEU 29 2.698 6.110 4.953 182 HD21 LEU 29 3HD2 LEU 29 -0.471 6.015 4.005 183 HD22 LEU 29 1HD2 LEU 29 -0.904 5.763 5.696 184 HD23 LEU 29 2HD2 LEU 29 0.491 4.930 5.009 185 H GLY 30 H GLY 30 -0.894 10.829 7.090 186 HA2 GLY 30 1HA GLY 30 -1.353 10.797 9.733 187 HA3 GLY 30 2HA GLY 30 -1.973 12.089 8.715 188 H ASN 31 H ASN 31 -3.818 10.322 7.286 189 HA ASN 31 HA ASN 31 -5.714 9.658 9.432 190 HB2 ASN 31 1HB ASN 31 -6.233 11.902 8.458 191 HB3 ASN 31 2HB ASN 31 -6.457 11.125 6.893 192 HD21 ASN 31 1HD2 ASN 31 -8.079 12.363 9.380 193 HD22 ASN 31 2HD2 ASN 31 -9.514 11.402 9.337 194 H TRP 32 H TRP 32 -5.243 7.459 9.100 195 HA TRP 32 HA TRP 32 -5.233 6.124 6.654 196 HB2 TRP 32 1HB TRP 32 -6.008 5.123 9.400 197 HB3 TRP 32 2HB TRP 32 -5.752 4.081 8.004 198 HD1 TRP 32 HD1 TRP 32 -3.921 5.779 10.783 199 HE1 TRP 32 HE1 TRP 32 -1.391 5.367 10.547 200 HE3 TRP 32 HE3 TRP 32 -3.853 3.821 6.060 201 HZ2 TRP 32 HZ2 TRP 32 0.397 4.349 8.615 202 HZ3 TRP 32 HZ3 TRP 32 -1.692 3.154 5.091 203 HH2 TRP 32 HH2 TRP 32 0.388 3.414 6.343 204 H ALA 33 H ALA 33 -7.917 6.612 8.937 205 HA ALA 33 HA ALA 33 -9.952 5.222 7.889 206 HB1 ALA 33 3HB ALA 33 -11.150 7.697 8.257 207 HB2 ALA 33 1HB ALA 33 -10.936 6.436 9.472 208 HB3 ALA 33 2HB ALA 33 -9.744 7.727 9.320 209 H ASP 34 H ASP 34 -8.504 8.070 6.432 210 HA ASP 34 HA ASP 34 -10.468 8.239 4.330 211 HB2 ASP 34 1HB ASP 34 -7.807 9.622 4.718 212 HB3 ASP 34 2HB ASP 34 -8.915 9.961 3.390 213 H ILE 35 H ILE 35 -7.126 7.116 4.645 214 HA ILE 35 HA ILE 35 -6.703 6.493 1.935 215 HB ILE 35 HB ILE 35 -5.455 5.361 4.436 216 HG12 ILE 35 1HG1 ILE 35 -4.387 7.280 2.354 217 HG13 ILE 35 2HG1 ILE 35 -5.041 7.757 3.917 218 HG21 ILE 35 1HG2 ILE 35 -4.559 3.732 3.226 219 HG22 ILE 35 2HG2 ILE 35 -5.356 4.332 1.773 220 HG23 ILE 35 3HG2 ILE 35 -3.765 4.946 2.223 221 HD11 ILE 35 3HD1 ILE 35 -3.264 6.464 5.021 222 HD12 ILE 35 1HD1 ILE 35 -2.589 6.082 3.437 223 HD13 ILE 35 2HD1 ILE 35 -2.638 7.755 3.995 224 H ALA 36 H ALA 36 -8.046 4.615 4.604 225 HA ALA 36 HA ALA 36 -8.120 2.087 3.547 226 HB1 ALA 36 3HB ALA 36 -10.279 1.822 4.852 227 HB2 ALA 36 1HB ALA 36 -8.873 2.379 5.759 228 HB3 ALA 36 2HB ALA 36 -10.118 3.528 5.269 229 H ASP 37 H ASP 37 -10.592 4.616 3.102 230 HA ASP 37 HA ASP 37 -12.210 3.121 1.343 231 HB2 ASP 37 1HB ASP 37 -12.799 5.261 2.634 232 HB3 ASP 37 2HB ASP 37 -12.012 6.128 1.317 233 H TYR 38 H TYR 38 -9.236 4.757 0.887 234 HA TYR 38 HA TYR 38 -9.557 5.087 -1.972 235 HB2 TYR 38 1HB TYR 38 -8.207 6.634 -0.458 236 HB3 TYR 38 2HB TYR 38 -6.994 5.360 -0.404 237 HD1 TYR 38 HD1 TYR 38 -5.782 4.718 -2.466 238 HD2 TYR 38 HD2 TYR 38 -8.466 8.019 -2.388 239 HE1 TYR 38 HE1 TYR 38 -4.805 5.554 -4.563 240 HE2 TYR 38 HE2 TYR 38 -7.497 8.863 -4.486 241 HH TYR 38 HH TYR 38 -6.139 7.530 -6.554 242 H VAL 39 H VAL 39 -7.866 2.940 0.257 243 HA VAL 39 HA VAL 39 -6.575 1.463 -1.855 244 HB VAL 39 HB VAL 39 -6.836 0.846 1.091 245 HG11 VAL 39 1HG1 VAL 39 -5.088 -0.799 0.749 246 HG12 VAL 39 2HG1 VAL 39 -6.478 -1.170 -0.274 247 HG13 VAL 39 3HG1 VAL 39 -5.041 -0.424 -0.973 248 HG21 VAL 39 3HG2 VAL 39 -5.553 2.920 0.373 249 HG22 VAL 39 1HG2 VAL 39 -4.680 1.753 1.367 250 HG23 VAL 39 2HG2 VAL 39 -4.396 1.818 -0.373 251 H GLY 40 H GLY 40 -8.685 0.250 0.749 252 HA2 GLY 40 1HA GLY 40 -10.513 -1.158 0.661 253 HA3 GLY 40 2HA GLY 40 -10.555 -0.921 -1.080 254 H ASN 41 H ASN 41 -10.397 -2.780 -2.124 255 HA ASN 41 HA ASN 41 -9.917 -4.967 -2.582 256 HB2 ASN 41 1HB ASN 41 -7.145 -4.493 -1.551 257 HB3 ASN 41 2HB ASN 41 -7.664 -5.347 -3.001 258 HD21 ASN 41 1HD2 ASN 41 -6.434 -2.491 -1.764 259 HD22 ASN 41 2HD2 ASN 41 -6.627 -1.498 -3.165 260 H ALA 42 H ALA 42 -11.171 -4.826 -0.179 261 HA ALA 42 HA ALA 42 -11.645 -6.150 1.617 262 HB1 ALA 42 3HB ALA 42 -9.489 -7.993 1.691 263 HB2 ALA 42 1HB ALA 42 -11.158 -8.271 1.194 264 HB3 ALA 42 2HB ALA 42 -9.956 -7.765 0.006 265 H ARG 43 H ARG 43 -9.727 -3.855 1.649 266 HA ARG 43 HA ARG 43 -8.357 -4.522 4.172 267 HB2 ARG 43 1HB ARG 43 -7.475 -2.391 2.227 268 HB3 ARG 43 2HB ARG 43 -6.593 -3.009 3.617 269 HG2 ARG 43 1HG ARG 43 -7.277 -4.624 1.171 270 HG3 ARG 43 2HG ARG 43 -5.729 -3.826 1.454 271 HD2 ARG 43 1HD ARG 43 -5.270 -5.201 3.336 272 HD3 ARG 43 2HD ARG 43 -6.916 -5.834 3.355 273 HE ARG 43 HE ARG 43 -5.809 -6.483 0.890 274 HH11 ARG 43 1HH1 ARG 43 -5.272 -7.201 4.253 275 HH12 ARG 43 2HH1 ARG 43 -4.616 -8.775 3.947 276 HH21 ARG 43 1HH2 ARG 43 -4.947 -8.553 0.473 277 HH22 ARG 43 2HH2 ARG 43 -4.431 -9.543 1.796 278 H THR 44 H THR 44 -7.882 -2.457 5.473 279 HA THR 44 HA THR 44 -9.863 -0.360 5.185 280 HB THR 44 HB THR 44 -10.805 -0.630 7.425 281 HG1 THR 44 HG1 THR 44 -9.022 -1.773 8.357 282 HG21 THR 44 3HG2 THR 44 -11.025 -3.097 5.697 283 HG22 THR 44 1HG2 THR 44 -12.030 -1.651 5.610 284 HG23 THR 44 2HG2 THR 44 -12.117 -2.702 7.024 285 H LYS 45 H LYS 45 -9.695 0.968 7.471 286 HA LYS 45 HA LYS 45 -7.122 2.125 7.410 287 HB2 LYS 45 1HB LYS 45 -7.903 3.447 9.350 288 HB3 LYS 45 2HB LYS 45 -9.064 3.436 8.029 289 HG2 LYS 45 1HG LYS 45 -10.380 1.741 9.197 290 HG3 LYS 45 2HG LYS 45 -9.214 1.752 10.522 291 HD2 LYS 45 1HD LYS 45 -9.778 3.967 11.126 292 HD3 LYS 45 2HD LYS 45 -10.665 4.230 9.622 293 HE2 LYS 45 1HE LYS 45 -12.403 2.746 10.303 294 HE3 LYS 45 2HE LYS 45 -11.469 2.196 11.694 295 HZ1 LYS 45 3HZ LYS 45 -13.226 3.807 12.265 296 HZ2 LYS 45 1HZ LYS 45 -12.443 4.977 11.326 297 HZ3 LYS 45 2HZ LYS 45 -11.682 4.345 12.697 298 H GLU 46 H GLU 46 -8.638 -0.218 9.556 299 HA GLU 46 HA GLU 46 -6.595 -0.223 11.522 300 HB2 GLU 46 1HB GLU 46 -8.724 -2.231 10.793 301 HB3 GLU 46 2HB GLU 46 -7.602 -2.478 12.124 302 HG2 GLU 46 1HG GLU 46 -8.517 -0.781 13.389 303 HG3 GLU 46 2HG GLU 46 -9.220 0.025 11.987 304 H GLU 47 H GLU 47 -7.043 -1.910 8.493 305 HA GLU 47 HA GLU 47 -4.733 -3.620 8.989 306 HB2 GLU 47 1HB GLU 47 -6.783 -3.490 6.788 307 HB3 GLU 47 2HB GLU 47 -5.330 -4.468 6.641 308 HG2 GLU 47 1HG GLU 47 -6.076 -5.476 8.905 309 HG3 GLU 47 2HG GLU 47 -7.651 -4.803 8.488 310 H CYS 48 H CYS 48 -5.774 -1.590 6.245 311 HA CYS 48 HA CYS 48 -3.464 -1.372 4.860 312 HB2 CYS 48 1HB CYS 48 -5.498 0.784 5.437 313 HB3 CYS 48 2HB CYS 48 -4.200 0.980 4.265 314 HG CYS 48 HG CYS 48 -7.129 -0.458 3.894 315 H ARG 49 H ARG 49 -4.239 0.276 7.864 316 HA ARG 49 HA ARG 49 -2.106 2.096 7.910 317 HB2 ARG 49 1HB ARG 49 -3.854 2.429 9.470 318 HB3 ARG 49 2HB ARG 49 -3.716 0.791 10.093 319 HG2 ARG 49 1HG ARG 49 -1.515 1.362 11.037 320 HG3 ARG 49 2HG ARG 49 -1.726 3.019 10.465 321 HD2 ARG 49 1HD ARG 49 -3.457 1.565 12.462 322 HD3 ARG 49 2HD ARG 49 -2.317 2.865 12.809 323 HE ARG 49 HE ARG 49 -4.384 3.552 10.918 324 HH11 ARG 49 1HH1 ARG 49 -3.446 3.448 14.269 325 HH12 ARG 49 2HH1 ARG 49 -4.564 4.679 14.755 326 HH21 ARG 49 1HH2 ARG 49 -5.860 5.175 11.545 327 HH22 ARG 49 2HH2 ARG 49 -5.937 5.660 13.205 328 H ASP 50 H ASP 50 -2.304 -0.768 10.012 329 HA ASP 50 HA ASP 50 0.396 -0.891 10.630 330 HB2 ASP 50 1HB ASP 50 -1.795 -2.943 10.615 331 HB3 ASP 50 2HB ASP 50 -0.143 -3.415 11.004 332 H HIS 51 H HIS 51 -1.368 -2.558 8.040 333 HA HIS 51 HA HIS 51 0.497 -4.211 6.987 334 HB2 HIS 51 1HB HIS 51 -1.591 -4.151 5.901 335 HB3 HIS 51 2HB HIS 51 -1.489 -2.417 5.611 336 HD1 HIS 51 HD1 HIS 51 0.204 -5.616 4.462 337 HD2 HIS 51 HD2 HIS 51 -0.584 -1.758 3.137 338 HE1 HIS 51 HE1 HIS 51 0.990 -5.552 2.074 339 HE2 HIS 51 HE2 HIS 51 0.581 -3.183 1.320 340 H TYR 52 H TYR 52 0.430 -0.704 6.687 341 HA TYR 52 HA TYR 52 2.685 -0.627 4.897 342 HB2 TYR 52 1HB TYR 52 0.894 1.095 4.860 343 HB3 TYR 52 2HB TYR 52 1.405 1.627 6.458 344 HD1 TYR 52 HD2 TYR 52 3.864 2.406 6.686 345 HD2 TYR 52 HD1 TYR 52 1.844 2.046 2.959 346 HE1 TYR 52 HE2 TYR 52 5.498 3.931 5.660 347 HE2 TYR 52 HE1 TYR 52 3.473 3.570 1.922 348 HH TYR 52 HH TYR 52 6.345 4.251 3.077 349 H LEU 53 H LEU 53 2.104 0.035 8.327 350 HA LEU 53 HA LEU 53 4.798 0.808 8.872 351 HB2 LEU 53 1HB LEU 53 2.604 -0.088 10.734 352 HB3 LEU 53 2HB LEU 53 4.129 0.640 11.234 353 HG LEU 53 HG LEU 53 2.250 2.111 9.419 354 HD11 LEU 53 1HD1 LEU 53 2.059 1.767 12.391 355 HD12 LEU 53 2HD1 LEU 53 0.787 1.645 11.176 356 HD13 LEU 53 3HD1 LEU 53 1.464 3.220 11.588 357 HD21 LEU 53 3HD2 LEU 53 3.491 3.954 9.932 358 HD22 LEU 53 1HD2 LEU 53 4.735 2.714 10.092 359 HD23 LEU 53 2HD2 LEU 53 3.936 3.351 11.529 360 H LYS 54 H LYS 54 3.413 -2.145 8.199 361 HA LYS 54 HA LYS 54 5.439 -3.609 9.756 362 HB2 LYS 54 1HB LYS 54 4.033 -5.464 9.821 363 HB3 LYS 54 2HB LYS 54 2.909 -4.121 9.986 364 HG2 LYS 54 1HG LYS 54 2.404 -4.272 7.585 365 HG3 LYS 54 2HG LYS 54 3.490 -5.659 7.463 366 HD2 LYS 54 1HD LYS 54 1.150 -5.588 9.354 367 HD3 LYS 54 2HD LYS 54 1.017 -6.176 7.695 368 HE2 LYS 54 1HE LYS 54 3.128 -7.256 9.519 369 HE3 LYS 54 2HE LYS 54 1.474 -7.857 9.622 370 HZ1 LYS 54 3HZ LYS 54 3.231 -8.962 8.043 371 HZ2 LYS 54 1HZ LYS 54 2.736 -7.739 6.984 372 HZ3 LYS 54 2HZ LYS 54 1.605 -8.841 7.590 373 H THR 55 H THR 55 4.309 -2.837 6.584 374 HA THR 55 HA THR 55 5.978 -4.874 5.329 375 HB THR 55 HB THR 55 4.153 -2.807 4.085 376 HG1 THR 55 HG1 THR 55 2.650 -4.298 4.248 377 HG21 THR 55 3HG2 THR 55 5.032 -5.186 2.567 378 HG22 THR 55 1HG2 THR 55 6.251 -3.941 2.833 379 HG23 THR 55 2HG2 THR 55 4.740 -3.536 2.019 380 H TYR 56 H TYR 56 5.721 -1.351 5.563 381 HA TYR 56 HA TYR 56 8.056 -0.907 3.940 382 HB2 TYR 56 1HB TYR 56 6.354 0.928 5.629 383 HB3 TYR 56 2HB TYR 56 7.757 1.483 4.723 384 HD1 TYR 56 HD1 TYR 56 4.717 -0.609 4.084 385 HD2 TYR 56 HD2 TYR 56 7.300 2.476 2.701 386 HE1 TYR 56 HE1 TYR 56 3.310 -0.335 2.085 387 HE2 TYR 56 HE2 TYR 56 5.898 2.760 0.699 388 HH TYR 56 HH TYR 56 3.023 0.740 0.168 389 H ILE 57 H ILE 57 7.302 -0.207 7.358 390 HA ILE 57 HA ILE 57 10.033 0.248 8.040 391 HB ILE 57 HB ILE 57 7.717 -0.328 9.892 392 HG12 ILE 57 1HG1 ILE 57 7.415 1.623 8.304 393 HG13 ILE 57 2HG1 ILE 57 7.339 2.022 10.017 394 HG21 ILE 57 1HG2 ILE 57 9.399 1.325 11.233 395 HG22 ILE 57 2HG2 ILE 57 9.393 -0.432 11.382 396 HG23 ILE 57 3HG2 ILE 57 10.541 0.357 10.300 397 HD11 ILE 57 3HD1 ILE 57 10.008 2.240 8.837 398 HD12 ILE 57 1HD1 ILE 57 8.811 3.354 8.176 399 HD13 ILE 57 2HD1 ILE 57 9.141 3.339 9.909 400 H GLU 58 H GLU 58 7.783 -2.297 9.145 401 HA GLU 58 HA GLU 58 9.987 -3.960 9.985 402 HB2 GLU 58 1HB GLU 58 7.592 -3.725 11.030 403 HB3 GLU 58 2HB GLU 58 7.160 -4.932 9.826 404 HG2 GLU 58 1HG GLU 58 7.739 -5.825 12.089 405 HG3 GLU 58 2HG GLU 58 8.643 -6.522 10.747 Start of MODEL 12 1 H1 GLY 1 H GLY 1 7.295 -20.191 -7.938 2 HA2 GLY 1 1HA GLY 1 6.959 -20.050 -5.605 3 HA3 GLY 1 2HA GLY 1 5.583 -21.003 -6.142 4 H SER 2 H SER 2 9.028 -21.809 -5.753 5 HA SER 2 HA SER 2 8.858 -24.384 -4.988 6 HB2 SER 2 1HB SER 2 10.675 -22.270 -3.813 7 HB3 SER 2 2HB SER 2 10.898 -24.002 -3.571 8 HG SER 2 HG SER 2 10.746 -22.806 -6.134 9 H SER 3 H SER 3 8.821 -21.706 -2.628 10 HA SER 3 HA SER 3 8.272 -23.204 -0.363 11 HB2 SER 3 1HB SER 3 7.377 -20.382 -1.001 12 HB3 SER 3 2HB SER 3 7.379 -21.104 0.608 13 HG SER 3 HG SER 3 9.464 -20.106 -0.880 14 H GLY 4 H GLY 4 6.446 -23.954 0.634 15 HA2 GLY 4 1HA GLY 4 4.313 -24.868 -0.842 16 HA3 GLY 4 2HA GLY 4 4.255 -24.602 0.894 17 H SER 5 H SER 5 2.019 -24.299 -0.731 18 HA SER 5 HA SER 5 1.461 -21.803 -1.746 19 HB2 SER 5 1HB SER 5 -0.385 -23.647 -0.211 20 HB3 SER 5 2HB SER 5 -0.919 -22.278 -1.185 21 HG SER 5 HG SER 5 -0.802 -23.540 -2.845 22 H SER 6 H SER 6 -0.166 -20.225 -0.704 23 HA SER 6 HA SER 6 1.128 -18.980 1.482 24 HB2 SER 6 1HB SER 6 -1.533 -18.480 0.144 25 HB3 SER 6 2HB SER 6 -0.925 -17.478 1.461 26 HG SER 6 HG SER 6 -0.124 -17.617 -1.179 27 H GLY 7 H GLY 7 -0.187 -18.245 3.457 28 HA2 GLY 7 1HA GLY 7 -1.843 -20.467 4.466 29 HA3 GLY 7 2HA GLY 7 -0.498 -19.856 5.418 30 H PHE 8 H PHE 8 -0.714 -17.164 5.165 31 HA PHE 8 HA PHE 8 -3.434 -16.546 6.100 32 HB2 PHE 8 1HB PHE 8 -0.869 -15.521 7.334 33 HB3 PHE 8 2HB PHE 8 -2.502 -15.107 7.845 34 HD1 PHE 8 HD1 PHE 8 0.017 -17.781 7.716 35 HD2 PHE 8 HD2 PHE 8 -3.781 -16.576 9.213 36 HE1 PHE 8 HE1 PHE 8 0.023 -19.696 9.261 37 HE2 PHE 8 HE2 PHE 8 -3.781 -18.489 10.761 38 HZ PHE 8 HZ PHE 8 -1.877 -20.051 10.787 39 H ASP 9 H ASP 9 -2.573 -16.129 3.497 40 HA ASP 9 HA ASP 9 -2.087 -14.524 1.908 41 HB2 ASP 9 1HB ASP 9 -4.021 -12.870 3.522 42 HB3 ASP 9 2HB ASP 9 -3.823 -12.921 1.773 43 H GLU 10 H GLU 10 -0.016 -14.424 3.612 44 HA GLU 10 HA GLU 10 0.338 -11.748 4.649 45 HB2 GLU 10 1HB GLU 10 1.285 -13.957 5.620 46 HB3 GLU 10 2HB GLU 10 2.525 -13.790 4.386 47 HG2 GLU 10 1HG GLU 10 3.470 -11.962 5.378 48 HG3 GLU 10 2HG GLU 10 1.966 -11.470 6.155 49 H ASN 11 H ASN 11 -0.196 -11.586 1.973 50 HA ASN 11 HA ASN 11 2.111 -10.193 1.015 51 HB2 ASN 11 1HB ASN 11 2.526 -11.485 -0.985 52 HB3 ASN 11 2HB ASN 11 2.672 -12.549 0.411 53 HD21 ASN 11 1HD2 ASN 11 1.658 -12.527 -2.611 54 HD22 ASN 11 2HD2 ASN 11 0.331 -13.630 -2.527 55 H TRP 12 H TRP 12 1.066 -8.383 0.481 56 HA TRP 12 HA TRP 12 -1.597 -8.286 -0.468 57 HB2 TRP 12 1HB TRP 12 0.633 -6.293 -0.252 58 HB3 TRP 12 2HB TRP 12 -0.836 -5.873 -1.129 59 HD1 TRP 12 HD1 TRP 12 -0.672 -7.875 2.175 60 HE1 TRP 12 HE1 TRP 12 -2.009 -6.585 3.956 61 HE3 TRP 12 HE3 TRP 12 -1.801 -3.688 -0.533 62 HZ2 TRP 12 HZ2 TRP 12 -3.364 -4.119 4.183 63 HZ3 TRP 12 HZ3 TRP 12 -3.122 -1.911 0.540 64 HH2 TRP 12 HH2 TRP 12 -3.887 -2.124 2.849 65 H GLY 13 H GLY 13 -1.914 -6.794 -2.580 66 HA2 GLY 13 1HA GLY 13 -0.665 -8.352 -4.743 67 HA3 GLY 13 2HA GLY 13 -2.209 -7.518 -4.850 68 H ALA 14 H ALA 14 -1.347 -6.632 -6.848 69 HA ALA 14 HA ALA 14 0.819 -4.709 -6.611 70 HB1 ALA 14 3HB ALA 14 -0.599 -4.673 -9.137 71 HB2 ALA 14 1HB ALA 14 1.096 -5.023 -8.797 72 HB3 ALA 14 2HB ALA 14 -0.111 -6.304 -8.676 73 H ASP 15 H ASP 15 -2.671 -4.743 -7.135 74 HA ASP 15 HA ASP 15 -2.939 -1.956 -7.597 75 HB2 ASP 15 1HB ASP 15 -4.911 -4.070 -6.726 76 HB3 ASP 15 2HB ASP 15 -5.370 -2.395 -7.023 77 H GLU 16 H GLU 16 -3.884 -3.882 -4.742 78 HA GLU 16 HA GLU 16 -4.405 -1.740 -3.049 79 HB2 GLU 16 1HB GLU 16 -4.005 -3.372 -1.192 80 HB3 GLU 16 2HB GLU 16 -5.117 -3.939 -2.429 81 HG2 GLU 16 1HG GLU 16 -2.249 -4.645 -2.703 82 HG3 GLU 16 2HG GLU 16 -3.199 -5.469 -1.468 83 H GLU 17 H GLU 17 -1.402 -2.983 -4.158 84 HA GLU 17 HA GLU 17 0.167 -1.865 -2.007 85 HB2 GLU 17 1HB GLU 17 0.726 -3.406 -4.490 86 HB3 GLU 17 2HB GLU 17 2.023 -2.407 -3.848 87 HG2 GLU 17 1HG GLU 17 0.552 -4.341 -2.102 88 HG3 GLU 17 2HG GLU 17 1.887 -4.863 -3.127 89 H LEU 18 H LEU 18 -0.639 -1.045 -5.341 90 HA LEU 18 HA LEU 18 1.096 1.213 -5.487 91 HB2 LEU 18 1HB LEU 18 0.555 0.367 -7.563 92 HB3 LEU 18 2HB LEU 18 -1.139 0.131 -7.139 93 HG LEU 18 HG LEU 18 -1.074 2.797 -7.078 94 HD11 LEU 18 1HD1 LEU 18 0.620 3.778 -8.133 95 HD12 LEU 18 2HD1 LEU 18 0.550 2.632 -9.472 96 HD13 LEU 18 3HD1 LEU 18 1.465 2.234 -8.018 97 HD21 LEU 18 3HD2 LEU 18 -2.385 2.668 -8.913 98 HD22 LEU 18 1HD2 LEU 18 -2.251 0.935 -8.615 99 HD23 LEU 18 2HD2 LEU 18 -1.215 1.706 -9.817 100 H LEU 19 H LEU 19 -2.396 0.833 -4.950 101 HA LEU 19 HA LEU 19 -3.057 3.535 -4.757 102 HB2 LEU 19 1HB LEU 19 -4.280 1.179 -3.328 103 HB3 LEU 19 2HB LEU 19 -5.012 2.777 -3.459 104 HG LEU 19 HG LEU 19 -4.347 1.136 -5.887 105 HD11 LEU 19 1HD1 LEU 19 -6.578 0.826 -3.968 106 HD12 LEU 19 2HD1 LEU 19 -5.812 -0.361 -5.023 107 HD13 LEU 19 3HD1 LEU 19 -6.980 0.782 -5.685 108 HD21 LEU 19 3HD2 LEU 19 -6.610 3.049 -5.677 109 HD22 LEU 19 1HD2 LEU 19 -5.583 2.654 -7.055 110 HD23 LEU 19 2HD2 LEU 19 -4.974 3.703 -5.775 111 H LEU 20 H LEU 20 -2.254 1.244 -2.148 112 HA LEU 20 HA LEU 20 -2.485 2.792 0.062 113 HB2 LEU 20 1HB LEU 20 -1.750 0.471 0.112 114 HB3 LEU 20 2HB LEU 20 -0.195 0.937 -0.574 115 HG LEU 20 HG LEU 20 0.287 2.228 1.477 116 HD11 LEU 20 1HD1 LEU 20 -2.339 1.067 2.386 117 HD12 LEU 20 2HD1 LEU 20 -1.914 2.771 2.230 118 HD13 LEU 20 3HD1 LEU 20 -1.143 1.780 3.468 119 HD21 LEU 20 3HD2 LEU 20 1.338 0.247 1.727 120 HD22 LEU 20 1HD2 LEU 20 -0.117 -0.692 1.388 121 HD23 LEU 20 2HD2 LEU 20 0.127 0.008 2.988 122 H ILE 21 H ILE 21 0.348 2.734 -2.089 123 HA ILE 21 HA ILE 21 1.816 4.699 -0.694 124 HB ILE 21 HB ILE 21 1.974 3.935 -3.612 125 HG12 ILE 21 1HG1 ILE 21 3.734 3.029 -1.331 126 HG13 ILE 21 2HG1 ILE 21 2.341 2.110 -1.891 127 HG21 ILE 21 1HG2 ILE 21 3.554 5.472 -3.872 128 HG22 ILE 21 2HG2 ILE 21 3.174 6.078 -2.261 129 HG23 ILE 21 3HG2 ILE 21 4.435 4.863 -2.470 130 HD11 ILE 21 3HD1 ILE 21 4.464 2.917 -3.823 131 HD12 ILE 21 1HD1 ILE 21 4.709 1.531 -2.760 132 HD13 ILE 21 2HD1 ILE 21 3.348 1.553 -3.883 133 H ASP 22 H ASP 22 0.121 5.004 -3.822 134 HA ASP 22 HA ASP 22 0.311 7.666 -4.267 135 HB2 ASP 22 1HB ASP 22 -1.000 5.811 -5.556 136 HB3 ASP 22 2HB ASP 22 -2.375 6.375 -4.612 137 H ALA 23 H ALA 23 -2.033 6.109 -2.110 138 HA ALA 23 HA ALA 23 -3.345 8.513 -1.357 139 HB1 ALA 23 3HB ALA 23 -4.634 6.633 -0.986 140 HB2 ALA 23 1HB ALA 23 -3.295 5.724 -0.285 141 HB3 ALA 23 2HB ALA 23 -4.065 7.013 0.639 142 H CYS 24 H CYS 24 -0.781 6.575 0.148 143 HA CYS 24 HA CYS 24 -0.493 7.905 2.541 144 HB2 CYS 24 1HB CYS 24 0.840 6.011 2.336 145 HB3 CYS 24 2HB CYS 24 1.443 6.482 0.752 146 HG CYS 24 HG CYS 24 3.665 7.403 1.622 147 H GLU 25 H GLU 25 0.780 8.797 -0.630 148 HA GLU 25 HA GLU 25 2.017 11.194 0.475 149 HB2 GLU 25 1HB GLU 25 2.034 9.927 -2.258 150 HB3 GLU 25 2HB GLU 25 2.688 11.534 -1.972 151 HG2 GLU 25 1HG GLU 25 4.006 10.254 -0.067 152 HG3 GLU 25 2HG GLU 25 3.722 8.885 -1.140 153 H THR 26 H THR 26 -0.762 10.210 -1.371 154 HA THR 26 HA THR 26 -1.443 12.860 -2.257 155 HB THR 26 HB THR 26 -2.933 10.240 -2.308 156 HG1 THR 26 HG1 THR 26 -1.202 10.673 -3.840 157 HG21 THR 26 3HG2 THR 26 -3.985 12.942 -2.548 158 HG22 THR 26 1HG2 THR 26 -4.841 11.408 -2.405 159 HG23 THR 26 2HG2 THR 26 -4.291 11.967 -3.985 160 H LEU 27 H LEU 27 -3.350 10.604 -0.265 161 HA LEU 27 HA LEU 27 -4.806 12.732 0.959 162 HB2 LEU 27 1HB LEU 27 -4.635 9.862 1.856 163 HB3 LEU 27 2HB LEU 27 -5.905 11.024 2.234 164 HG LEU 27 HG LEU 27 -5.344 9.976 -0.537 165 HD11 LEU 27 1HD1 LEU 27 -7.376 8.617 -0.204 166 HD12 LEU 27 2HD1 LEU 27 -7.390 9.093 1.494 167 HD13 LEU 27 3HD1 LEU 27 -6.051 8.138 0.857 168 HD21 LEU 27 3HD2 LEU 27 -7.673 10.847 -0.912 169 HD22 LEU 27 1HD2 LEU 27 -6.440 12.079 -0.646 170 HD23 LEU 27 2HD2 LEU 27 -7.548 11.645 0.656 171 H GLY 28 H GLY 28 -2.209 10.566 2.024 172 HA2 GLY 28 1HA GLY 28 -0.480 11.369 3.485 173 HA3 GLY 28 2HA GLY 28 -1.650 12.469 4.199 174 H LEU 29 H LEU 29 -0.001 9.614 4.624 175 HA LEU 29 HA LEU 29 -1.628 7.789 5.788 176 HB2 LEU 29 1HB LEU 29 1.052 8.744 6.777 177 HB3 LEU 29 2HB LEU 29 0.247 7.290 7.363 178 HG LEU 29 HG LEU 29 0.972 7.679 4.469 179 HD11 LEU 29 1HD1 LEU 29 2.613 6.285 6.577 180 HD12 LEU 29 2HD1 LEU 29 2.993 7.859 5.879 181 HD13 LEU 29 3HD1 LEU 29 2.987 6.421 4.859 182 HD21 LEU 29 3HD2 LEU 29 0.962 4.997 5.560 183 HD22 LEU 29 1HD2 LEU 29 0.103 5.652 4.166 184 HD23 LEU 29 2HD2 LEU 29 -0.593 5.802 5.780 185 H GLY 30 H GLY 30 -0.981 10.979 6.938 186 HA2 GLY 30 1HA GLY 30 -1.404 10.911 9.626 187 HA3 GLY 30 2HA GLY 30 -2.047 12.180 8.595 188 H ASN 31 H ASN 31 -3.817 10.394 7.129 189 HA ASN 31 HA ASN 31 -5.738 9.687 9.244 190 HB2 ASN 31 1HB ASN 31 -6.189 11.908 8.013 191 HB3 ASN 31 2HB ASN 31 -6.604 10.901 6.628 192 HD21 ASN 31 1HD2 ASN 31 -8.606 10.162 6.484 193 HD22 ASN 31 2HD2 ASN 31 -9.781 10.189 7.751 194 H TRP 32 H TRP 32 -5.367 7.495 9.061 195 HA TRP 32 HA TRP 32 -5.199 6.085 6.624 196 HB2 TRP 32 1HB TRP 32 -5.857 5.201 9.434 197 HB3 TRP 32 2HB TRP 32 -5.726 4.074 8.087 198 HD1 TRP 32 HD1 TRP 32 -3.661 5.874 10.623 199 HE1 TRP 32 HE1 TRP 32 -1.164 5.391 10.226 200 HE3 TRP 32 HE3 TRP 32 -3.982 3.669 6.021 201 HZ2 TRP 32 HZ2 TRP 32 0.455 4.231 8.227 202 HZ3 TRP 32 HZ3 TRP 32 -1.912 2.902 4.935 203 HH2 TRP 32 HH2 TRP 32 0.260 3.178 6.016 204 H ALA 33 H ALA 33 -7.905 6.882 8.734 205 HA ALA 33 HA ALA 33 -9.914 5.284 7.851 206 HB1 ALA 33 3HB ALA 33 -10.910 7.978 7.941 207 HB2 ALA 33 1HB ALA 33 -11.157 6.653 9.079 208 HB3 ALA 33 2HB ALA 33 -9.752 7.706 9.242 209 H ASP 34 H ASP 34 -8.703 8.190 6.219 210 HA ASP 34 HA ASP 34 -10.562 8.008 4.054 211 HB2 ASP 34 1HB ASP 34 -8.170 9.679 4.685 212 HB3 ASP 34 2HB ASP 34 -8.722 9.610 3.013 213 H ILE 35 H ILE 35 -7.189 7.067 4.539 214 HA ILE 35 HA ILE 35 -6.579 6.305 1.925 215 HB ILE 35 HB ILE 35 -5.558 5.105 4.502 216 HG12 ILE 35 1HG1 ILE 35 -4.342 7.242 2.740 217 HG13 ILE 35 2HG1 ILE 35 -5.221 7.566 4.230 218 HG21 ILE 35 1HG2 ILE 35 -3.782 5.070 2.199 219 HG22 ILE 35 2HG2 ILE 35 -4.187 3.786 3.336 220 HG23 ILE 35 3HG2 ILE 35 -5.239 4.107 1.958 221 HD11 ILE 35 3HD1 ILE 35 -3.026 5.643 4.490 222 HD12 ILE 35 1HD1 ILE 35 -2.541 7.281 4.053 223 HD13 ILE 35 2HD1 ILE 35 -3.482 7.001 5.519 224 H ALA 36 H ALA 36 -8.034 4.443 4.566 225 HA ALA 36 HA ALA 36 -8.088 1.925 3.462 226 HB1 ALA 36 3HB ALA 36 -10.156 3.289 5.175 227 HB2 ALA 36 1HB ALA 36 -10.165 1.565 4.802 228 HB3 ALA 36 2HB ALA 36 -8.823 2.264 5.708 229 H ASP 37 H ASP 37 -10.432 4.548 2.972 230 HA ASP 37 HA ASP 37 -12.090 3.047 1.207 231 HB2 ASP 37 1HB ASP 37 -12.644 5.181 2.595 232 HB3 ASP 37 2HB ASP 37 -11.981 6.047 1.212 233 H TYR 38 H TYR 38 -9.133 4.719 0.830 234 HA TYR 38 HA TYR 38 -9.449 5.185 -2.010 235 HB2 TYR 38 1HB TYR 38 -8.104 6.659 -0.422 236 HB3 TYR 38 2HB TYR 38 -6.890 5.385 -0.424 237 HD1 TYR 38 HD1 TYR 38 -5.595 4.902 -2.445 238 HD2 TYR 38 HD2 TYR 38 -8.432 8.072 -2.352 239 HE1 TYR 38 HE1 TYR 38 -4.611 5.836 -4.497 240 HE2 TYR 38 HE2 TYR 38 -7.457 9.013 -4.404 241 HH TYR 38 HH TYR 38 -6.000 8.696 -6.064 242 H VAL 39 H VAL 39 -7.791 2.919 0.116 243 HA VAL 39 HA VAL 39 -6.527 1.539 -2.092 244 HB VAL 39 HB VAL 39 -6.651 0.847 0.846 245 HG11 VAL 39 1HG1 VAL 39 -6.343 -1.133 -0.583 246 HG12 VAL 39 2HG1 VAL 39 -4.940 -0.361 -1.325 247 HG13 VAL 39 3HG1 VAL 39 -4.915 -0.780 0.389 248 HG21 VAL 39 3HG2 VAL 39 -5.424 2.923 0.302 249 HG22 VAL 39 1HG2 VAL 39 -4.377 1.658 0.945 250 HG23 VAL 39 2HG2 VAL 39 -4.389 1.998 -0.786 251 H GLY 40 H GLY 40 -8.507 0.233 0.567 252 HA2 GLY 40 1HA GLY 40 -10.363 -1.150 0.496 253 HA3 GLY 40 2HA GLY 40 -10.407 -0.942 -1.248 254 H ASN 41 H ASN 41 -10.262 -2.830 -2.244 255 HA ASN 41 HA ASN 41 -9.753 -5.013 -2.679 256 HB2 ASN 41 1HB ASN 41 -6.995 -4.487 -1.625 257 HB3 ASN 41 2HB ASN 41 -7.486 -5.407 -3.044 258 HD21 ASN 41 1HD2 ASN 41 -6.304 -2.489 -1.914 259 HD22 ASN 41 2HD2 ASN 41 -6.494 -1.556 -3.356 260 H ALA 42 H ALA 42 -11.078 -4.947 -0.366 261 HA ALA 42 HA ALA 42 -11.549 -6.204 1.473 262 HB1 ALA 42 3HB ALA 42 -9.509 -7.801 0.072 263 HB2 ALA 42 1HB ALA 42 -9.739 -8.175 1.781 264 HB3 ALA 42 2HB ALA 42 -11.104 -8.261 0.667 265 H ARG 43 H ARG 43 -9.735 -3.893 1.581 266 HA ARG 43 HA ARG 43 -8.311 -4.576 4.069 267 HB2 ARG 43 1HB ARG 43 -7.492 -2.396 2.149 268 HB3 ARG 43 2HB ARG 43 -6.590 -3.004 3.530 269 HG2 ARG 43 1HG ARG 43 -7.255 -4.667 1.114 270 HG3 ARG 43 2HG ARG 43 -5.754 -3.759 1.303 271 HD2 ARG 43 1HD ARG 43 -5.145 -5.043 3.229 272 HD3 ARG 43 2HD ARG 43 -6.722 -5.830 3.264 273 HE ARG 43 HE ARG 43 -5.501 -6.342 0.790 274 HH11 ARG 43 1HH1 ARG 43 -5.157 -7.137 4.162 275 HH12 ARG 43 2HH1 ARG 43 -4.424 -8.677 3.858 276 HH21 ARG 43 1HH2 ARG 43 -4.537 -8.367 0.377 277 HH22 ARG 43 2HH2 ARG 43 -4.071 -9.376 1.705 278 H THR 44 H THR 44 -7.819 -2.435 5.324 279 HA THR 44 HA THR 44 -9.836 -0.390 5.102 280 HB THR 44 HB THR 44 -10.868 -0.724 7.271 281 HG1 THR 44 HG1 THR 44 -10.341 -2.979 8.185 282 HG21 THR 44 3HG2 THR 44 -11.908 -1.830 5.347 283 HG22 THR 44 1HG2 THR 44 -12.143 -2.764 6.824 284 HG23 THR 44 2HG2 THR 44 -10.933 -3.269 5.644 285 H LYS 45 H LYS 45 -9.721 0.873 7.427 286 HA LYS 45 HA LYS 45 -7.180 2.072 7.452 287 HB2 LYS 45 1HB LYS 45 -7.990 3.213 9.521 288 HB3 LYS 45 2HB LYS 45 -9.098 3.331 8.160 289 HG2 LYS 45 1HG LYS 45 -10.255 1.282 9.210 290 HG3 LYS 45 2HG LYS 45 -9.356 1.718 10.665 291 HD2 LYS 45 1HD LYS 45 -10.403 3.847 10.776 292 HD3 LYS 45 2HD LYS 45 -11.089 3.668 9.159 293 HE2 LYS 45 1HE LYS 45 -12.527 1.880 9.936 294 HE3 LYS 45 2HE LYS 45 -11.789 1.946 11.536 295 HZ1 LYS 45 3HZ LYS 45 -12.637 4.509 11.012 296 HZ2 LYS 45 1HZ LYS 45 -13.358 3.399 12.066 297 HZ3 LYS 45 2HZ LYS 45 -13.898 3.521 10.468 298 H GLU 46 H GLU 46 -8.639 -0.387 9.521 299 HA GLU 46 HA GLU 46 -6.570 -0.466 11.447 300 HB2 GLU 46 1HB GLU 46 -8.611 -2.537 10.630 301 HB3 GLU 46 2HB GLU 46 -7.524 -2.724 11.999 302 HG2 GLU 46 1HG GLU 46 -8.485 -0.713 13.021 303 HG3 GLU 46 2HG GLU 46 -9.598 -0.570 11.662 304 H GLU 47 H GLU 47 -7.057 -2.087 8.371 305 HA GLU 47 HA GLU 47 -4.720 -3.770 8.743 306 HB2 GLU 47 1HB GLU 47 -6.374 -3.451 6.240 307 HB3 GLU 47 2HB GLU 47 -5.298 -4.779 6.651 308 HG2 GLU 47 1HG GLU 47 -7.657 -4.166 8.377 309 HG3 GLU 47 2HG GLU 47 -7.855 -5.081 6.883 310 H CYS 48 H CYS 48 -5.715 -1.569 6.118 311 HA CYS 48 HA CYS 48 -3.366 -1.248 4.815 312 HB2 CYS 48 1HB CYS 48 -5.455 0.838 5.446 313 HB3 CYS 48 2HB CYS 48 -4.120 1.129 4.337 314 HG CYS 48 HG CYS 48 -4.930 -0.490 2.366 315 H ARG 49 H ARG 49 -4.256 0.214 7.883 316 HA ARG 49 HA ARG 49 -2.181 2.075 8.109 317 HB2 ARG 49 1HB ARG 49 -3.950 2.240 9.666 318 HB3 ARG 49 2HB ARG 49 -3.787 0.558 10.152 319 HG2 ARG 49 1HG ARG 49 -1.622 1.088 11.190 320 HG3 ARG 49 2HG ARG 49 -1.845 2.781 10.744 321 HD2 ARG 49 1HD ARG 49 -2.503 2.526 13.027 322 HD3 ARG 49 2HD ARG 49 -3.960 2.774 12.065 323 HE ARG 49 HE ARG 49 -3.268 0.010 12.554 324 HH11 ARG 49 1HH1 ARG 49 -5.057 2.795 13.630 325 HH12 ARG 49 2HH1 ARG 49 -6.194 1.870 14.555 326 HH21 ARG 49 1HH2 ARG 49 -4.757 -1.219 13.768 327 HH22 ARG 49 2HH2 ARG 49 -6.022 -0.413 14.633 328 H ASP 50 H ASP 50 -2.306 -0.948 9.983 329 HA ASP 50 HA ASP 50 0.420 -1.006 10.578 330 HB2 ASP 50 1HB ASP 50 -1.778 -3.029 10.622 331 HB3 ASP 50 2HB ASP 50 -0.119 -3.585 10.824 332 H HIS 51 H HIS 51 -1.376 -2.706 8.024 333 HA HIS 51 HA HIS 51 0.441 -4.294 6.864 334 HB2 HIS 51 1HB HIS 51 -1.634 -4.153 5.777 335 HB3 HIS 51 2HB HIS 51 -1.519 -2.406 5.587 336 HD1 HIS 51 HD1 HIS 51 0.409 -5.448 4.336 337 HD2 HIS 51 HD2 HIS 51 -0.889 -1.714 3.059 338 HE1 HIS 51 HE1 HIS 51 1.115 -5.278 1.929 339 HE2 HIS 51 HE2 HIS 51 0.395 -2.977 1.202 340 H TYR 52 H TYR 52 0.439 -0.773 6.658 341 HA TYR 52 HA TYR 52 2.763 -0.738 4.934 342 HB2 TYR 52 1HB TYR 52 0.945 0.966 4.764 343 HB3 TYR 52 2HB TYR 52 1.415 1.570 6.349 344 HD1 TYR 52 HD2 TYR 52 3.971 2.215 6.565 345 HD2 TYR 52 HD1 TYR 52 1.841 1.977 2.889 346 HE1 TYR 52 HE2 TYR 52 5.632 3.693 5.513 347 HE2 TYR 52 HE1 TYR 52 3.496 3.454 1.827 348 HH TYR 52 HH TYR 52 5.724 4.221 2.102 349 H LEU 53 H LEU 53 1.998 0.204 8.275 350 HA LEU 53 HA LEU 53 4.618 1.001 8.962 351 HB2 LEU 53 1HB LEU 53 2.351 0.028 10.694 352 HB3 LEU 53 2HB LEU 53 3.832 0.767 11.302 353 HG LEU 53 HG LEU 53 1.969 2.205 9.428 354 HD11 LEU 53 1HD1 LEU 53 1.459 1.453 12.131 355 HD12 LEU 53 2HD1 LEU 53 0.474 2.433 11.046 356 HD13 LEU 53 3HD1 LEU 53 1.702 3.199 12.054 357 HD21 LEU 53 3HD2 LEU 53 3.060 4.178 10.540 358 HD22 LEU 53 1HD2 LEU 53 4.122 3.202 9.525 359 HD23 LEU 53 2HD2 LEU 53 4.190 3.043 11.281 360 H LYS 54 H LYS 54 3.420 -2.023 8.245 361 HA LYS 54 HA LYS 54 5.381 -3.392 9.955 362 HB2 LYS 54 1HB LYS 54 4.115 -5.370 9.727 363 HB3 LYS 54 2HB LYS 54 2.931 -4.093 9.972 364 HG2 LYS 54 1HG LYS 54 2.212 -4.159 7.769 365 HG3 LYS 54 2HG LYS 54 3.684 -4.956 7.210 366 HD2 LYS 54 1HD LYS 54 1.800 -6.300 9.122 367 HD3 LYS 54 2HD LYS 54 1.540 -6.360 7.377 368 HE2 LYS 54 1HE LYS 54 3.899 -7.231 7.178 369 HE3 LYS 54 2HE LYS 54 3.902 -7.394 8.933 370 HZ1 LYS 54 3HZ LYS 54 2.910 -9.191 7.055 371 HZ2 LYS 54 1HZ LYS 54 1.575 -8.586 7.900 372 HZ3 LYS 54 2HZ LYS 54 2.848 -9.314 8.742 373 H THR 55 H THR 55 4.566 -2.620 6.685 374 HA THR 55 HA THR 55 6.571 -4.479 5.636 375 HB THR 55 HB THR 55 4.570 -2.730 4.193 376 HG1 THR 55 HG1 THR 55 4.599 -5.534 4.077 377 HG21 THR 55 3HG2 THR 55 5.271 -3.830 2.157 378 HG22 THR 55 1HG2 THR 55 6.435 -4.810 3.047 379 HG23 THR 55 2HG2 THR 55 6.670 -3.067 2.913 380 H TYR 56 H TYR 56 5.716 -1.026 5.413 381 HA TYR 56 HA TYR 56 8.208 -0.336 4.173 382 HB2 TYR 56 1HB TYR 56 5.971 1.323 5.339 383 HB3 TYR 56 2HB TYR 56 7.409 2.029 4.609 384 HD1 TYR 56 HD1 TYR 56 4.921 -0.631 3.736 385 HD2 TYR 56 HD2 TYR 56 7.146 2.759 2.446 386 HE1 TYR 56 HE1 TYR 56 3.867 -0.789 1.519 387 HE2 TYR 56 HE2 TYR 56 6.097 2.611 0.226 388 HH TYR 56 HH TYR 56 4.945 0.412 -1.120 389 H ILE 57 H ILE 57 6.795 0.778 7.254 390 HA ILE 57 HA ILE 57 9.106 1.831 8.348 391 HB ILE 57 HB ILE 57 6.670 0.640 9.645 392 HG12 ILE 57 1HG1 ILE 57 6.036 2.885 10.035 393 HG13 ILE 57 2HG1 ILE 57 7.664 3.483 9.732 394 HG21 ILE 57 1HG2 ILE 57 8.283 0.221 11.290 395 HG22 ILE 57 2HG2 ILE 57 9.140 1.725 10.958 396 HG23 ILE 57 3HG2 ILE 57 7.568 1.763 11.757 397 HD11 ILE 57 3HD1 ILE 57 6.212 4.056 7.901 398 HD12 ILE 57 1HD1 ILE 57 7.414 2.884 7.363 399 HD13 ILE 57 2HD1 ILE 57 5.760 2.365 7.690 400 H GLU 58 H GLU 58 7.695 -1.269 9.408 401 HA GLU 58 HA GLU 58 10.196 -2.136 10.505 402 HB2 GLU 58 1HB GLU 58 7.704 -2.729 11.173 403 HB3 GLU 58 2HB GLU 58 7.946 -4.038 10.024 404 HG2 GLU 58 1HG GLU 58 10.007 -3.598 12.117 405 HG3 GLU 58 2HG GLU 58 8.472 -4.331 12.582 Start of MODEL 13 1 H1 GLY 1 H GLY 1 11.844 4.491 -5.008 2 HA2 GLY 1 1HA GLY 1 10.297 5.801 -7.065 3 HA3 GLY 1 2HA GLY 1 10.916 4.226 -7.539 4 H SER 2 H SER 2 8.589 3.749 -7.748 5 HA SER 2 HA SER 2 7.341 3.150 -5.149 6 HB2 SER 2 1HB SER 2 6.170 4.681 -6.874 7 HB3 SER 2 2HB SER 2 5.865 3.195 -7.773 8 HG SER 2 HG SER 2 4.854 2.389 -5.839 9 H SER 3 H SER 3 8.453 1.184 -4.860 10 HA SER 3 HA SER 3 7.149 -1.087 -5.940 11 HB2 SER 3 1HB SER 3 9.106 -2.093 -7.098 12 HB3 SER 3 2HB SER 3 8.512 -0.642 -7.905 13 HG SER 3 HG SER 3 10.585 -0.484 -6.005 14 H GLY 4 H GLY 4 7.643 -2.978 -4.818 15 HA2 GLY 4 1HA GLY 4 9.897 -3.345 -3.172 16 HA3 GLY 4 2HA GLY 4 8.596 -2.674 -2.199 17 H SER 5 H SER 5 7.622 -4.208 -1.072 18 HA SER 5 HA SER 5 7.020 -6.341 -0.424 19 HB2 SER 5 1HB SER 5 5.596 -6.113 -3.086 20 HB3 SER 5 2HB SER 5 5.136 -7.170 -1.752 21 HG SER 5 HG SER 5 4.267 -5.528 -0.748 22 H SER 6 H SER 6 9.547 -6.450 -1.579 23 HA SER 6 HA SER 6 9.990 -8.142 -3.691 24 HB2 SER 6 1HB SER 6 11.786 -6.987 -2.456 25 HB3 SER 6 2HB SER 6 11.549 -8.081 -1.094 26 HG SER 6 HG SER 6 12.033 -9.805 -2.636 27 H GLY 7 H GLY 7 9.378 -9.046 -0.310 28 HA2 GLY 7 1HA GLY 7 8.813 -11.787 -1.264 29 HA3 GLY 7 2HA GLY 7 9.614 -11.467 0.268 30 H PHE 8 H PHE 8 8.417 -10.946 2.051 31 HA PHE 8 HA PHE 8 6.553 -11.236 3.370 32 HB2 PHE 8 1HB PHE 8 5.965 -8.988 1.476 33 HB3 PHE 8 2HB PHE 8 4.749 -9.478 2.651 34 HD1 PHE 8 HD2 PHE 8 5.393 -9.480 5.105 35 HD2 PHE 8 HD1 PHE 8 7.724 -7.589 2.087 36 HE1 PHE 8 HE2 PHE 8 6.500 -8.110 6.823 37 HE2 PHE 8 HE1 PHE 8 8.836 -6.217 3.800 38 HZ PHE 8 HZ PHE 8 8.224 -6.476 6.172 39 H ASP 9 H ASP 9 6.624 -13.224 1.408 40 HA ASP 9 HA ASP 9 5.319 -14.594 0.080 41 HB2 ASP 9 1HB ASP 9 3.486 -14.208 2.455 42 HB3 ASP 9 2HB ASP 9 3.524 -15.598 1.374 43 H GLU 10 H GLU 10 5.009 -11.992 -0.829 44 HA GLU 10 HA GLU 10 3.517 -10.485 -1.758 45 HB2 GLU 10 1HB GLU 10 2.394 -13.050 -2.885 46 HB3 GLU 10 2HB GLU 10 2.396 -11.463 -3.640 47 HG2 GLU 10 1HG GLU 10 4.856 -11.553 -3.755 48 HG3 GLU 10 2HG GLU 10 4.802 -13.183 -3.085 49 H ASN 11 H ASN 11 2.644 -10.838 0.777 50 HA ASN 11 HA ASN 11 0.132 -11.870 1.243 51 HB2 ASN 11 1HB ASN 11 -0.065 -10.120 3.025 52 HB3 ASN 11 2HB ASN 11 1.453 -11.012 3.064 53 HD21 ASN 11 1HD2 ASN 11 0.481 -8.205 3.839 54 HD22 ASN 11 2HD2 ASN 11 1.714 -7.173 3.207 55 H TRP 12 H TRP 12 0.961 -8.633 0.036 56 HA TRP 12 HA TRP 12 -1.872 -8.161 -0.558 57 HB2 TRP 12 1HB TRP 12 0.506 -6.372 -0.201 58 HB3 TRP 12 2HB TRP 12 -0.876 -5.804 -1.134 59 HD1 TRP 12 HD1 TRP 12 -0.890 -7.815 2.185 60 HE1 TRP 12 HE1 TRP 12 -2.255 -6.480 3.911 61 HE3 TRP 12 HE3 TRP 12 -1.894 -3.657 -0.615 62 HZ2 TRP 12 HZ2 TRP 12 -3.582 -3.993 4.065 63 HZ3 TRP 12 HZ3 TRP 12 -3.218 -1.846 0.395 64 HH2 TRP 12 HH2 TRP 12 -4.044 -2.013 2.687 65 H GLY 13 H GLY 13 -1.878 -6.491 -2.629 66 HA2 GLY 13 1HA GLY 13 -0.513 -7.979 -4.788 67 HA3 GLY 13 2HA GLY 13 -2.175 -7.426 -4.925 68 H ALA 14 H ALA 14 0.112 -6.825 -6.635 69 HA ALA 14 HA ALA 14 1.346 -4.425 -6.325 70 HB1 ALA 14 3HB ALA 14 1.763 -5.736 -8.273 71 HB2 ALA 14 1HB ALA 14 0.096 -5.557 -8.820 72 HB3 ALA 14 2HB ALA 14 1.174 -4.161 -8.808 73 H ASP 15 H ASP 15 -2.030 -4.957 -7.179 74 HA ASP 15 HA ASP 15 -2.679 -2.295 -7.830 75 HB2 ASP 15 1HB ASP 15 -4.486 -4.424 -6.664 76 HB3 ASP 15 2HB ASP 15 -5.006 -2.972 -7.514 77 H GLU 16 H GLU 16 -3.765 -4.004 -4.899 78 HA GLU 16 HA GLU 16 -4.388 -1.694 -3.460 79 HB2 GLU 16 1HB GLU 16 -4.281 -3.187 -1.445 80 HB3 GLU 16 2HB GLU 16 -5.293 -3.788 -2.751 81 HG2 GLU 16 1HG GLU 16 -2.464 -4.673 -2.671 82 HG3 GLU 16 2HG GLU 16 -3.577 -5.335 -1.474 83 H GLU 17 H GLU 17 -1.357 -3.063 -4.199 84 HA GLU 17 HA GLU 17 0.049 -1.965 -1.932 85 HB2 GLU 17 1HB GLU 17 0.823 -3.460 -4.402 86 HB3 GLU 17 2HB GLU 17 2.060 -2.568 -3.528 87 HG2 GLU 17 1HG GLU 17 0.275 -4.485 -2.093 88 HG3 GLU 17 2HG GLU 17 1.679 -5.060 -2.990 89 H LEU 18 H LEU 18 -0.732 -0.999 -5.185 90 HA LEU 18 HA LEU 18 1.147 1.196 -5.210 91 HB2 LEU 18 1HB LEU 18 0.868 0.521 -7.354 92 HB3 LEU 18 2HB LEU 18 -0.796 0.004 -7.088 93 HG LEU 18 HG LEU 18 -1.316 2.542 -7.017 94 HD11 LEU 18 1HD1 LEU 18 0.368 3.590 -8.773 95 HD12 LEU 18 2HD1 LEU 18 1.484 2.471 -7.992 96 HD13 LEU 18 3HD1 LEU 18 0.646 3.691 -7.034 97 HD21 LEU 18 3HD2 LEU 18 -1.617 0.660 -8.895 98 HD22 LEU 18 1HD2 LEU 18 -0.533 1.753 -9.756 99 HD23 LEU 18 2HD2 LEU 18 -2.076 2.346 -9.140 100 H LEU 19 H LEU 19 -2.383 0.822 -5.041 101 HA LEU 19 HA LEU 19 -3.093 3.500 -4.922 102 HB2 LEU 19 1HB LEU 19 -4.327 1.035 -3.740 103 HB3 LEU 19 2HB LEU 19 -5.057 2.624 -3.524 104 HG LEU 19 HG LEU 19 -5.893 1.053 -5.419 105 HD11 LEU 19 1HD1 LEU 19 -5.268 3.975 -5.798 106 HD12 LEU 19 2HD1 LEU 19 -6.744 3.267 -5.144 107 HD13 LEU 19 3HD1 LEU 19 -6.341 3.048 -6.847 108 HD21 LEU 19 3HD2 LEU 19 -4.686 1.604 -7.571 109 HD22 LEU 19 1HD2 LEU 19 -3.862 0.485 -6.486 110 HD23 LEU 19 2HD2 LEU 19 -3.348 2.171 -6.571 111 H LEU 20 H LEU 20 -2.273 1.299 -2.256 112 HA LEU 20 HA LEU 20 -2.736 2.885 -0.081 113 HB2 LEU 20 1HB LEU 20 -1.923 0.570 0.018 114 HB3 LEU 20 2HB LEU 20 -0.331 1.116 -0.507 115 HG LEU 20 HG LEU 20 -0.201 2.476 1.592 116 HD11 LEU 20 1HD1 LEU 20 -1.727 1.803 3.429 117 HD12 LEU 20 2HD1 LEU 20 -2.704 0.932 2.247 118 HD13 LEU 20 3HD1 LEU 20 -2.530 2.683 2.129 119 HD21 LEU 20 3HD2 LEU 20 -0.452 -0.519 1.717 120 HD22 LEU 20 1HD2 LEU 20 0.131 0.451 3.070 121 HD23 LEU 20 2HD2 LEU 20 1.012 0.450 1.542 122 H ILE 21 H ILE 21 0.286 2.805 -1.968 123 HA ILE 21 HA ILE 21 1.611 4.835 -0.570 124 HB ILE 21 HB ILE 21 1.907 4.063 -3.475 125 HG12 ILE 21 1HG1 ILE 21 3.812 3.260 -1.318 126 HG13 ILE 21 2HG1 ILE 21 2.290 2.388 -1.459 127 HG21 ILE 21 1HG2 ILE 21 3.428 5.664 -3.684 128 HG22 ILE 21 2HG2 ILE 21 3.008 6.240 -2.071 129 HG23 ILE 21 3HG2 ILE 21 4.302 5.060 -2.276 130 HD11 ILE 21 3HD1 ILE 21 2.853 1.455 -3.464 131 HD12 ILE 21 1HD1 ILE 21 3.946 2.769 -3.896 132 HD13 ILE 21 2HD1 ILE 21 4.439 1.569 -2.701 133 H ASP 22 H ASP 22 0.126 5.128 -3.803 134 HA ASP 22 HA ASP 22 0.254 7.783 -4.228 135 HB2 ASP 22 1HB ASP 22 -1.012 5.849 -5.518 136 HB3 ASP 22 2HB ASP 22 -2.416 6.532 -4.703 137 H ALA 23 H ALA 23 -2.033 6.178 -2.071 138 HA ALA 23 HA ALA 23 -3.483 8.547 -1.418 139 HB1 ALA 23 3HB ALA 23 -3.820 6.740 0.681 140 HB2 ALA 23 1HB ALA 23 -4.876 6.967 -0.714 141 HB3 ALA 23 2HB ALA 23 -3.604 5.745 -0.759 142 H CYS 24 H CYS 24 -1.007 6.649 0.301 143 HA CYS 24 HA CYS 24 -0.807 8.053 2.636 144 HB2 CYS 24 1HB CYS 24 1.485 6.941 1.004 145 HB3 CYS 24 2HB CYS 24 1.565 7.365 2.710 146 HG CYS 24 HG CYS 24 -0.933 5.279 2.199 147 H GLU 25 H GLU 25 0.529 8.927 -0.507 148 HA GLU 25 HA GLU 25 1.709 11.354 0.595 149 HB2 GLU 25 1HB GLU 25 1.722 10.271 -2.228 150 HB3 GLU 25 2HB GLU 25 2.605 11.687 -1.677 151 HG2 GLU 25 1HG GLU 25 4.041 10.390 -0.329 152 HG3 GLU 25 2HG GLU 25 3.023 8.960 -0.495 153 H THR 26 H THR 26 -0.964 10.315 -1.408 154 HA THR 26 HA THR 26 -1.684 12.949 -2.282 155 HB THR 26 HB THR 26 -3.153 10.314 -2.366 156 HG1 THR 26 HG1 THR 26 -2.256 11.892 -4.543 157 HG21 THR 26 3HG2 THR 26 -4.801 12.102 -2.172 158 HG22 THR 26 1HG2 THR 26 -4.806 11.432 -3.802 159 HG23 THR 26 2HG2 THR 26 -4.023 12.981 -3.487 160 H LEU 27 H LEU 27 -3.607 10.653 -0.350 161 HA LEU 27 HA LEU 27 -5.127 12.767 0.834 162 HB2 LEU 27 1HB LEU 27 -4.988 9.869 1.647 163 HB3 LEU 27 2HB LEU 27 -6.251 11.024 2.069 164 HG LEU 27 HG LEU 27 -5.677 10.032 -0.723 165 HD11 LEU 27 1HD1 LEU 27 -7.056 8.317 -0.384 166 HD12 LEU 27 2HD1 LEU 27 -8.229 9.324 0.464 167 HD13 LEU 27 3HD1 LEU 27 -6.863 8.634 1.340 168 HD21 LEU 27 3HD2 LEU 27 -7.787 11.105 -1.288 169 HD22 LEU 27 1HD2 LEU 27 -6.644 12.281 -0.638 170 HD23 LEU 27 2HD2 LEU 27 -7.957 11.676 0.372 171 H GLY 28 H GLY 28 -2.620 10.539 2.000 172 HA2 GLY 28 1HA GLY 28 -0.935 11.481 3.511 173 HA3 GLY 28 2HA GLY 28 -2.240 12.354 4.300 174 H LEU 29 H LEU 29 -0.215 10.364 5.283 175 HA LEU 29 HA LEU 29 -1.675 8.006 5.982 176 HB2 LEU 29 1HB LEU 29 0.947 9.180 6.839 177 HB3 LEU 29 2HB LEU 29 0.281 7.755 7.635 178 HG LEU 29 HG LEU 29 0.688 7.803 4.665 179 HD11 LEU 29 1HD1 LEU 29 2.905 7.261 4.796 180 HD12 LEU 29 2HD1 LEU 29 2.781 6.675 6.454 181 HD13 LEU 29 3HD1 LEU 29 2.784 8.409 6.130 182 HD21 LEU 29 3HD2 LEU 29 0.788 5.415 4.924 183 HD22 LEU 29 1HD2 LEU 29 -0.658 6.015 5.738 184 HD23 LEU 29 2HD2 LEU 29 0.762 5.562 6.682 185 H GLY 30 H GLY 30 -1.058 11.111 7.488 186 HA2 GLY 30 1HA GLY 30 -1.574 10.799 10.109 187 HA3 GLY 30 2HA GLY 30 -2.262 12.129 9.189 188 H ASN 31 H ASN 31 -3.959 10.458 7.547 189 HA ASN 31 HA ASN 31 -5.860 9.463 9.563 190 HB2 ASN 31 1HB ASN 31 -6.336 11.785 8.442 191 HB3 ASN 31 2HB ASN 31 -6.834 10.805 7.066 192 HD21 ASN 31 1HD2 ASN 31 -8.653 12.409 8.217 193 HD22 ASN 31 2HD2 ASN 31 -9.812 11.483 9.101 194 H TRP 32 H TRP 32 -5.397 7.314 9.183 195 HA TRP 32 HA TRP 32 -5.094 6.114 6.671 196 HB2 TRP 32 1HB TRP 32 -5.952 4.999 9.341 197 HB3 TRP 32 2HB TRP 32 -5.725 3.986 7.919 198 HD1 TRP 32 HD1 TRP 32 -3.850 5.539 10.742 199 HE1 TRP 32 HE1 TRP 32 -1.329 5.091 10.479 200 HE3 TRP 32 HE3 TRP 32 -3.834 3.780 5.942 201 HZ2 TRP 32 HZ2 TRP 32 0.433 4.121 8.499 202 HZ3 TRP 32 HZ3 TRP 32 -1.689 3.114 4.937 203 HH2 TRP 32 HH2 TRP 32 0.399 3.282 6.190 204 H ALA 33 H ALA 33 -7.959 6.769 8.604 205 HA ALA 33 HA ALA 33 -9.900 5.245 7.497 206 HB1 ALA 33 3HB ALA 33 -9.807 7.789 8.820 207 HB2 ALA 33 1HB ALA 33 -11.047 7.802 7.566 208 HB3 ALA 33 2HB ALA 33 -11.082 6.570 8.828 209 H ASP 34 H ASP 34 -8.485 8.149 6.047 210 HA ASP 34 HA ASP 34 -10.179 8.121 3.751 211 HB2 ASP 34 1HB ASP 34 -7.520 9.486 4.219 212 HB3 ASP 34 2HB ASP 34 -8.578 9.785 2.843 213 H ILE 35 H ILE 35 -6.957 6.884 4.474 214 HA ILE 35 HA ILE 35 -6.304 6.108 1.830 215 HB ILE 35 HB ILE 35 -5.277 4.990 4.442 216 HG12 ILE 35 1HG1 ILE 35 -3.889 6.984 2.665 217 HG13 ILE 35 2HG1 ILE 35 -5.012 7.505 3.917 218 HG21 ILE 35 1HG2 ILE 35 -4.783 4.267 1.687 219 HG22 ILE 35 2HG2 ILE 35 -3.305 4.782 2.498 220 HG23 ILE 35 3HG2 ILE 35 -4.268 3.467 3.172 221 HD11 ILE 35 3HD1 ILE 35 -2.297 7.000 4.194 222 HD12 ILE 35 1HD1 ILE 35 -3.467 7.279 5.483 223 HD13 ILE 35 2HD1 ILE 35 -3.097 5.633 4.969 224 H ALA 36 H ALA 36 -8.070 4.561 4.425 225 HA ALA 36 HA ALA 36 -8.057 1.927 3.422 226 HB1 ALA 36 3HB ALA 36 -8.753 2.744 5.739 227 HB2 ALA 36 1HB ALA 36 -10.319 3.100 5.010 228 HB3 ALA 36 2HB ALA 36 -9.704 1.446 5.017 229 H ASP 37 H ASP 37 -10.366 4.594 3.005 230 HA ASP 37 HA ASP 37 -12.145 3.115 1.349 231 HB2 ASP 37 1HB ASP 37 -12.709 5.198 2.681 232 HB3 ASP 37 2HB ASP 37 -11.866 6.120 1.440 233 H TYR 38 H TYR 38 -9.207 4.831 0.785 234 HA TYR 38 HA TYR 38 -9.644 5.116 -2.061 235 HB2 TYR 38 1HB TYR 38 -8.320 6.764 -0.709 236 HB3 TYR 38 2HB TYR 38 -7.085 5.527 -0.505 237 HD1 TYR 38 HD1 TYR 38 -5.753 4.772 -2.436 238 HD2 TYR 38 HD2 TYR 38 -8.564 7.948 -2.782 239 HE1 TYR 38 HE1 TYR 38 -4.714 5.452 -4.559 240 HE2 TYR 38 HE2 TYR 38 -7.534 8.635 -4.907 241 HH TYR 38 HH TYR 38 -5.934 8.244 -6.390 242 H VAL 39 H VAL 39 -7.885 3.002 0.127 243 HA VAL 39 HA VAL 39 -6.636 1.549 -2.049 244 HB VAL 39 HB VAL 39 -6.623 1.071 0.933 245 HG11 VAL 39 1HG1 VAL 39 -6.373 -1.048 -0.190 246 HG12 VAL 39 2HG1 VAL 39 -5.148 -0.373 -1.266 247 HG13 VAL 39 3HG1 VAL 39 -4.811 -0.547 0.457 248 HG21 VAL 39 3HG2 VAL 39 -5.420 3.083 0.146 249 HG22 VAL 39 1HG2 VAL 39 -4.345 1.872 0.846 250 HG23 VAL 39 2HG2 VAL 39 -4.443 2.058 -0.905 251 H GLY 40 H GLY 40 -8.506 0.365 0.747 252 HA2 GLY 40 1HA GLY 40 -10.239 -1.148 0.865 253 HA3 GLY 40 2HA GLY 40 -10.482 -0.919 -0.860 254 H ASN 41 H ASN 41 -10.409 -2.801 -1.878 255 HA ASN 41 HA ASN 41 -9.811 -4.908 -2.495 256 HB2 ASN 41 1HB ASN 41 -7.055 -4.358 -1.427 257 HB3 ASN 41 2HB ASN 41 -7.522 -5.299 -2.840 258 HD21 ASN 41 1HD2 ASN 41 -6.596 -2.260 -1.656 259 HD22 ASN 41 2HD2 ASN 41 -6.747 -1.373 -3.131 260 H ALA 42 H ALA 42 -11.109 -4.934 -0.146 261 HA ALA 42 HA ALA 42 -11.574 -6.321 1.602 262 HB1 ALA 42 3HB ALA 42 -9.617 -7.807 0.049 263 HB2 ALA 42 1HB ALA 42 -9.572 -8.207 1.766 264 HB3 ALA 42 2HB ALA 42 -11.078 -8.366 0.863 265 H ARG 43 H ARG 43 -9.698 -3.997 1.757 266 HA ARG 43 HA ARG 43 -8.316 -4.754 4.248 267 HB2 ARG 43 1HB ARG 43 -7.539 -2.472 2.432 268 HB3 ARG 43 2HB ARG 43 -6.628 -3.122 3.788 269 HG2 ARG 43 1HG ARG 43 -7.238 -4.644 1.264 270 HG3 ARG 43 2HG ARG 43 -5.735 -3.771 1.574 271 HD2 ARG 43 1HD ARG 43 -5.175 -5.206 3.380 272 HD3 ARG 43 2HD ARG 43 -6.783 -5.930 3.389 273 HE ARG 43 HE ARG 43 -5.327 -6.284 0.926 274 HH11 ARG 43 1HH1 ARG 43 -6.008 -7.567 4.090 275 HH12 ARG 43 2HH1 ARG 43 -5.581 -9.191 3.666 276 HH21 ARG 43 1HH2 ARG 43 -4.762 -8.419 0.355 277 HH22 ARG 43 2HH2 ARG 43 -4.872 -9.675 1.542 278 H THR 44 H THR 44 -7.768 -2.456 5.412 279 HA THR 44 HA THR 44 -9.862 -0.523 5.334 280 HB THR 44 HB THR 44 -11.117 -2.308 6.446 281 HG1 THR 44 HG1 THR 44 -11.699 -1.066 8.291 282 HG21 THR 44 3HG2 THR 44 -8.661 -2.816 7.732 283 HG22 THR 44 1HG2 THR 44 -10.186 -3.677 7.937 284 HG23 THR 44 2HG2 THR 44 -9.793 -2.316 8.988 285 H LYS 45 H LYS 45 -9.594 1.157 6.961 286 HA LYS 45 HA LYS 45 -7.086 2.139 7.244 287 HB2 LYS 45 1HB LYS 45 -7.914 3.492 9.127 288 HB3 LYS 45 2HB LYS 45 -9.068 3.438 7.802 289 HG2 LYS 45 1HG LYS 45 -10.362 1.744 9.003 290 HG3 LYS 45 2HG LYS 45 -9.209 1.818 10.337 291 HD2 LYS 45 1HD LYS 45 -9.856 3.984 10.930 292 HD3 LYS 45 2HD LYS 45 -10.622 4.281 9.368 293 HE2 LYS 45 1HE LYS 45 -11.680 2.080 11.066 294 HE3 LYS 45 2HE LYS 45 -12.039 3.741 11.535 295 HZ1 LYS 45 3HZ LYS 45 -13.679 2.582 10.008 296 HZ2 LYS 45 1HZ LYS 45 -12.523 2.766 8.786 297 HZ3 LYS 45 2HZ LYS 45 -13.172 4.129 9.548 298 H GLU 46 H GLU 46 -8.751 0.106 9.642 299 HA GLU 46 HA GLU 46 -6.743 0.030 11.564 300 HB2 GLU 46 1HB GLU 46 -8.757 -2.094 10.811 301 HB3 GLU 46 2HB GLU 46 -7.767 -2.140 12.263 302 HG2 GLU 46 1HG GLU 46 -8.810 -0.148 13.104 303 HG3 GLU 46 2HG GLU 46 -9.706 0.063 11.601 304 H GLU 47 H GLU 47 -7.087 -1.760 8.573 305 HA GLU 47 HA GLU 47 -4.810 -3.462 9.188 306 HB2 GLU 47 1HB GLU 47 -6.646 -3.287 6.798 307 HB3 GLU 47 2HB GLU 47 -5.265 -4.372 6.874 308 HG2 GLU 47 1HG GLU 47 -7.445 -4.406 8.935 309 HG3 GLU 47 2HG GLU 47 -7.532 -5.345 7.445 310 H CYS 48 H CYS 48 -5.648 -1.441 6.369 311 HA CYS 48 HA CYS 48 -3.313 -1.235 5.085 312 HB2 CYS 48 1HB CYS 48 -5.240 1.000 5.720 313 HB3 CYS 48 2HB CYS 48 -3.903 1.185 4.593 314 HG CYS 48 HG CYS 48 -6.344 -1.177 4.199 315 H ARG 49 H ARG 49 -4.062 0.351 8.134 316 HA ARG 49 HA ARG 49 -1.846 2.043 8.311 317 HB2 ARG 49 1HB ARG 49 -3.668 2.294 9.853 318 HB3 ARG 49 2HB ARG 49 -3.451 0.658 10.459 319 HG2 ARG 49 1HG ARG 49 -1.224 1.338 11.328 320 HG3 ARG 49 2HG ARG 49 -1.594 2.993 10.841 321 HD2 ARG 49 1HD ARG 49 -3.389 1.411 12.659 322 HD3 ARG 49 2HD ARG 49 -2.040 2.369 13.269 323 HE ARG 49 HE ARG 49 -3.900 3.781 11.558 324 HH11 ARG 49 1HH1 ARG 49 -2.990 2.928 14.808 325 HH12 ARG 49 2HH1 ARG 49 -3.839 4.252 15.533 326 HH21 ARG 49 1HH2 ARG 49 -5.022 5.529 12.501 327 HH22 ARG 49 2HH2 ARG 49 -4.996 5.731 14.220 328 H ASP 50 H ASP 50 -2.197 -0.948 10.211 329 HA ASP 50 HA ASP 50 0.508 -1.209 10.829 330 HB2 ASP 50 1HB ASP 50 -1.033 -2.454 12.126 331 HB3 ASP 50 2HB ASP 50 -1.732 -3.221 10.702 332 H HIS 51 H HIS 51 -1.356 -2.555 8.141 333 HA HIS 51 HA HIS 51 0.445 -4.295 7.031 334 HB2 HIS 51 1HB HIS 51 -1.689 -4.147 6.023 335 HB3 HIS 51 2HB HIS 51 -1.525 -2.416 5.738 336 HD1 HIS 51 HD1 HIS 51 0.084 -5.653 4.555 337 HD2 HIS 51 HD2 HIS 51 -0.733 -1.804 3.221 338 HE1 HIS 51 HE1 HIS 51 0.791 -5.614 2.142 339 HE2 HIS 51 HE2 HIS 51 0.367 -3.251 1.380 340 H TYR 52 H TYR 52 0.371 -0.775 6.705 341 HA TYR 52 HA TYR 52 2.623 -0.713 4.919 342 HB2 TYR 52 1HB TYR 52 0.850 1.015 4.865 343 HB3 TYR 52 2HB TYR 52 1.337 1.542 6.472 344 HD1 TYR 52 HD2 TYR 52 3.905 2.166 6.684 345 HD2 TYR 52 HD1 TYR 52 1.710 2.136 3.039 346 HE1 TYR 52 HE2 TYR 52 5.550 3.698 5.687 347 HE2 TYR 52 HE1 TYR 52 3.350 3.667 2.031 348 HH TYR 52 HH TYR 52 5.081 5.506 3.152 349 H LEU 53 H LEU 53 2.073 -0.200 8.362 350 HA LEU 53 HA LEU 53 4.740 0.674 8.911 351 HB2 LEU 53 1HB LEU 53 2.552 -0.348 10.713 352 HB3 LEU 53 2HB LEU 53 4.089 0.298 11.286 353 HG LEU 53 HG LEU 53 2.271 1.955 9.571 354 HD11 LEU 53 1HD1 LEU 53 0.732 2.103 11.156 355 HD12 LEU 53 2HD1 LEU 53 1.957 2.658 12.297 356 HD13 LEU 53 3HD1 LEU 53 1.614 0.935 12.140 357 HD21 LEU 53 3HD2 LEU 53 3.820 3.139 11.755 358 HD22 LEU 53 1HD2 LEU 53 3.660 3.640 10.072 359 HD23 LEU 53 2HD2 LEU 53 4.798 2.364 10.507 360 H LYS 54 H LYS 54 3.466 -2.300 8.122 361 HA LYS 54 HA LYS 54 5.590 -3.739 9.568 362 HB2 LYS 54 1HB LYS 54 4.248 -5.613 9.696 363 HB3 LYS 54 2HB LYS 54 3.052 -4.331 9.827 364 HG2 LYS 54 1HG LYS 54 2.644 -4.555 7.381 365 HG3 LYS 54 2HG LYS 54 3.717 -5.956 7.384 366 HD2 LYS 54 1HD LYS 54 1.364 -5.784 9.240 367 HD3 LYS 54 2HD LYS 54 1.185 -6.362 7.581 368 HE2 LYS 54 1HE LYS 54 3.143 -7.511 9.564 369 HE3 LYS 54 2HE LYS 54 1.526 -8.159 9.292 370 HZ1 LYS 54 3HZ LYS 54 3.052 -7.799 6.879 371 HZ2 LYS 54 1HZ LYS 54 2.161 -9.137 7.406 372 HZ3 LYS 54 2HZ LYS 54 3.745 -8.907 7.952 373 H THR 55 H THR 55 4.263 -2.957 6.465 374 HA THR 55 HA THR 55 5.938 -4.886 5.073 375 HB THR 55 HB THR 55 3.917 -2.867 4.107 376 HG1 THR 55 HG1 THR 55 3.855 -5.616 3.546 377 HG21 THR 55 3HG2 THR 55 4.306 -3.906 1.845 378 HG22 THR 55 1HG2 THR 55 5.780 -4.614 2.504 379 HG23 THR 55 2HG2 THR 55 5.604 -2.861 2.422 380 H TYR 56 H TYR 56 5.687 -1.393 5.532 381 HA TYR 56 HA TYR 56 7.965 -0.864 3.832 382 HB2 TYR 56 1HB TYR 56 6.267 0.905 5.595 383 HB3 TYR 56 2HB TYR 56 7.643 1.501 4.674 384 HD1 TYR 56 HD1 TYR 56 4.530 -0.501 4.135 385 HD2 TYR 56 HD2 TYR 56 7.222 2.412 2.598 386 HE1 TYR 56 HE1 TYR 56 3.077 -0.203 2.173 387 HE2 TYR 56 HE2 TYR 56 5.777 2.720 0.632 388 HH TYR 56 HH TYR 56 2.803 0.819 0.223 389 H ILE 57 H ILE 57 7.302 -0.014 7.233 390 HA ILE 57 HA ILE 57 9.980 0.443 7.918 391 HB ILE 57 HB ILE 57 7.729 -0.396 9.749 392 HG12 ILE 57 1HG1 ILE 57 7.208 1.620 8.420 393 HG13 ILE 57 2HG1 ILE 57 7.394 1.992 10.130 394 HG21 ILE 57 1HG2 ILE 57 10.465 0.721 10.242 395 HG22 ILE 57 2HG2 ILE 57 9.156 0.976 11.395 396 HG23 ILE 57 3HG2 ILE 57 9.674 -0.662 10.998 397 HD11 ILE 57 3HD1 ILE 57 9.349 2.531 7.915 398 HD12 ILE 57 1HD1 ILE 57 8.468 3.705 8.892 399 HD13 ILE 57 2HD1 ILE 57 9.730 2.716 9.626 400 H GLU 58 H GLU 58 7.940 -2.426 8.437 401 HA GLU 58 HA GLU 58 10.365 -3.951 9.099 402 HB2 GLU 58 1HB GLU 58 7.490 -4.753 9.564 403 HB3 GLU 58 2HB GLU 58 8.925 -5.564 10.174 404 HG2 GLU 58 1HG GLU 58 8.357 -2.718 10.893 405 HG3 GLU 58 2HG GLU 58 7.579 -4.045 11.754 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -16.687 -17.209 16.225 2 HA2 GLY 1 1HA GLY 1 -18.845 -15.918 16.703 3 HA3 GLY 1 2HA GLY 1 -17.836 -14.503 16.444 4 H SER 2 H SER 2 -19.522 -14.074 14.793 5 HA SER 2 HA SER 2 -19.105 -15.624 12.330 6 HB2 SER 2 1HB SER 2 -21.381 -13.933 13.327 7 HB3 SER 2 2HB SER 2 -21.201 -14.264 11.604 8 HG SER 2 HG SER 2 -21.011 -16.570 12.420 9 H SER 3 H SER 3 -17.377 -14.741 11.332 10 HA SER 3 HA SER 3 -17.563 -11.889 10.636 11 HB2 SER 3 1HB SER 3 -15.059 -11.789 10.767 12 HB3 SER 3 2HB SER 3 -15.847 -12.035 12.325 13 HG SER 3 HG SER 3 -14.025 -13.435 11.931 14 H GLY 4 H GLY 4 -16.124 -11.348 8.729 15 HA2 GLY 4 1HA GLY 4 -16.405 -13.504 6.742 16 HA3 GLY 4 2HA GLY 4 -16.390 -11.785 6.379 17 H SER 5 H SER 5 -14.602 -14.576 6.300 18 HA SER 5 HA SER 5 -12.094 -13.045 6.086 19 HB2 SER 5 1HB SER 5 -12.663 -15.597 7.521 20 HB3 SER 5 2HB SER 5 -11.101 -15.435 6.719 21 HG SER 5 HG SER 5 -10.678 -13.626 7.959 22 H SER 6 H SER 6 -13.786 -13.450 3.928 23 HA SER 6 HA SER 6 -13.549 -15.654 2.353 24 HB2 SER 6 1HB SER 6 -13.254 -12.825 1.320 25 HB3 SER 6 2HB SER 6 -13.852 -14.222 0.426 26 HG SER 6 HG SER 6 -15.076 -12.879 2.596 27 H GLY 7 H GLY 7 -11.244 -12.926 2.329 28 HA2 GLY 7 1HA GLY 7 -9.269 -14.736 1.096 29 HA3 GLY 7 2HA GLY 7 -9.250 -12.984 0.960 30 H PHE 8 H PHE 8 -7.825 -15.564 2.443 31 HA PHE 8 HA PHE 8 -6.888 -13.893 4.682 32 HB2 PHE 8 1HB PHE 8 -6.365 -16.131 5.798 33 HB3 PHE 8 2HB PHE 8 -8.064 -15.689 5.673 34 HD1 PHE 8 HD2 PHE 8 -9.489 -16.765 3.946 35 HD2 PHE 8 HD1 PHE 8 -5.514 -18.061 4.739 36 HE1 PHE 8 HE2 PHE 8 -9.961 -18.895 2.809 37 HE2 PHE 8 HE1 PHE 8 -5.978 -20.193 3.602 38 HZ PHE 8 HZ PHE 8 -8.205 -20.613 2.636 39 H ASP 9 H ASP 9 -5.219 -13.047 3.343 40 HA ASP 9 HA ASP 9 -2.939 -14.875 3.105 41 HB2 ASP 9 1HB ASP 9 -3.851 -12.969 0.939 42 HB3 ASP 9 2HB ASP 9 -2.344 -13.881 0.916 43 H GLU 10 H GLU 10 -0.917 -13.920 3.371 44 HA GLU 10 HA GLU 10 -1.004 -11.253 4.588 45 HB2 GLU 10 1HB GLU 10 0.982 -11.826 5.762 46 HB3 GLU 10 2HB GLU 10 -0.085 -13.217 5.877 47 HG2 GLU 10 1HG GLU 10 1.201 -14.104 3.834 48 HG3 GLU 10 2HG GLU 10 2.405 -12.887 4.255 49 H ASN 11 H ASN 11 -1.089 -11.455 1.765 50 HA ASN 11 HA ASN 11 1.391 -10.040 1.119 51 HB2 ASN 11 1HB ASN 11 1.249 -11.240 -1.181 52 HB3 ASN 11 2HB ASN 11 1.960 -12.100 0.181 53 HD21 ASN 11 1HD2 ASN 11 -0.608 -11.970 -2.086 54 HD22 ASN 11 2HD2 ASN 11 -1.391 -13.437 -1.619 55 H TRP 12 H TRP 12 1.026 -8.194 0.067 56 HA TRP 12 HA TRP 12 -1.695 -7.623 -0.820 57 HB2 TRP 12 1HB TRP 12 0.685 -5.953 -0.106 58 HB3 TRP 12 2HB TRP 12 -0.572 -5.265 -1.131 59 HD1 TRP 12 HD1 TRP 12 -0.989 -7.500 2.015 60 HE1 TRP 12 HE1 TRP 12 -2.488 -6.240 3.685 61 HE3 TRP 12 HE3 TRP 12 -1.583 -3.128 -0.567 62 HZ2 TRP 12 HZ2 TRP 12 -3.755 -3.726 3.882 63 HZ3 TRP 12 HZ3 TRP 12 -2.955 -1.346 0.432 64 HH2 TRP 12 HH2 TRP 12 -4.018 -1.641 2.610 65 H GLY 13 H GLY 13 -2.238 -7.007 -2.894 66 HA2 GLY 13 1HA GLY 13 -0.395 -7.896 -4.960 67 HA3 GLY 13 2HA GLY 13 -2.083 -7.464 -5.183 68 H ALA 14 H ALA 14 0.425 -6.665 -6.615 69 HA ALA 14 HA ALA 14 1.420 -4.215 -6.259 70 HB1 ALA 14 3HB ALA 14 0.912 -3.930 -8.861 71 HB2 ALA 14 1HB ALA 14 2.131 -5.045 -8.245 72 HB3 ALA 14 2HB ALA 14 0.534 -5.644 -8.694 73 H ASP 15 H ASP 15 -1.910 -4.900 -7.125 74 HA ASP 15 HA ASP 15 -2.673 -2.241 -7.732 75 HB2 ASP 15 1HB ASP 15 -4.340 -4.579 -6.779 76 HB3 ASP 15 2HB ASP 15 -4.990 -3.073 -7.421 77 H GLU 16 H GLU 16 -3.725 -4.144 -4.908 78 HA GLU 16 HA GLU 16 -4.559 -1.969 -3.386 79 HB2 GLU 16 1HB GLU 16 -4.432 -3.494 -1.448 80 HB3 GLU 16 2HB GLU 16 -5.216 -4.238 -2.835 81 HG2 GLU 16 1HG GLU 16 -3.112 -5.394 -3.373 82 HG3 GLU 16 2HG GLU 16 -2.381 -4.692 -1.931 83 H GLU 17 H GLU 17 -1.404 -2.989 -4.146 84 HA GLU 17 HA GLU 17 -0.150 -1.815 -1.816 85 HB2 GLU 17 1HB GLU 17 0.978 -2.996 -4.356 86 HB3 GLU 17 2HB GLU 17 1.972 -2.339 -3.063 87 HG2 GLU 17 1HG GLU 17 0.913 -3.984 -1.516 88 HG3 GLU 17 2HG GLU 17 0.128 -4.708 -2.919 89 H LEU 18 H LEU 18 -0.142 -1.153 -5.319 90 HA LEU 18 HA LEU 18 1.322 1.195 -5.289 91 HB2 LEU 18 1HB LEU 18 0.964 0.515 -7.420 92 HB3 LEU 18 2HB LEU 18 -0.683 -0.016 -7.088 93 HG LEU 18 HG LEU 18 -1.254 2.494 -7.016 94 HD11 LEU 18 1HD1 LEU 18 0.495 3.859 -7.190 95 HD12 LEU 18 2HD1 LEU 18 0.550 3.406 -8.893 96 HD13 LEU 18 3HD1 LEU 18 1.561 2.559 -7.723 97 HD21 LEU 18 3HD2 LEU 18 -1.494 0.622 -8.924 98 HD22 LEU 18 1HD2 LEU 18 -0.471 1.782 -9.772 99 HD23 LEU 18 2HD2 LEU 18 -2.032 2.290 -9.128 100 H LEU 19 H LEU 19 -2.168 0.750 -4.858 101 HA LEU 19 HA LEU 19 -2.954 3.409 -4.781 102 HB2 LEU 19 1HB LEU 19 -4.020 1.033 -3.270 103 HB3 LEU 19 2HB LEU 19 -4.821 2.602 -3.324 104 HG LEU 19 HG LEU 19 -4.251 0.938 -5.771 105 HD11 LEU 19 1HD1 LEU 19 -6.814 0.600 -5.598 106 HD12 LEU 19 2HD1 LEU 19 -6.569 0.934 -3.884 107 HD13 LEU 19 3HD1 LEU 19 -5.740 -0.424 -4.645 108 HD21 LEU 19 3HD2 LEU 19 -6.269 3.135 -5.414 109 HD22 LEU 19 1HD2 LEU 19 -5.671 2.423 -6.912 110 HD23 LEU 19 2HD2 LEU 19 -4.615 3.450 -5.942 111 H LEU 20 H LEU 20 -2.070 1.328 -2.023 112 HA LEU 20 HA LEU 20 -2.336 2.959 0.092 113 HB2 LEU 20 1HB LEU 20 -1.353 0.673 0.107 114 HB3 LEU 20 2HB LEU 20 0.173 1.372 -0.430 115 HG LEU 20 HG LEU 20 0.365 2.610 1.653 116 HD11 LEU 20 1HD1 LEU 20 -1.472 3.123 2.785 117 HD12 LEU 20 2HD1 LEU 20 -1.554 1.443 3.313 118 HD13 LEU 20 3HD1 LEU 20 -2.428 1.957 1.870 119 HD21 LEU 20 3HD2 LEU 20 -0.019 -0.346 1.706 120 HD22 LEU 20 1HD2 LEU 20 0.293 0.508 3.217 121 HD23 LEU 20 2HD2 LEU 20 1.455 0.605 1.893 122 H ILE 21 H ILE 21 0.588 2.953 -1.952 123 HA ILE 21 HA ILE 21 1.848 5.130 -0.733 124 HB ILE 21 HB ILE 21 2.063 4.313 -3.633 125 HG12 ILE 21 1HG1 ILE 21 4.220 3.206 -2.558 126 HG13 ILE 21 2HG1 ILE 21 3.216 3.199 -1.112 127 HG21 ILE 21 1HG2 ILE 21 4.429 5.364 -2.299 128 HG22 ILE 21 2HG2 ILE 21 3.729 5.782 -3.862 129 HG23 ILE 21 3HG2 ILE 21 3.107 6.528 -2.390 130 HD11 ILE 21 3HD1 ILE 21 2.181 1.383 -1.815 131 HD12 ILE 21 1HD1 ILE 21 1.690 2.201 -3.299 132 HD13 ILE 21 2HD1 ILE 21 3.235 1.351 -3.229 133 H ASP 22 H ASP 22 0.085 5.128 -3.839 134 HA ASP 22 HA ASP 22 0.069 7.759 -4.453 135 HB2 ASP 22 1HB ASP 22 -1.140 5.752 -5.590 136 HB3 ASP 22 2HB ASP 22 -2.523 6.252 -4.620 137 H ALA 23 H ALA 23 -2.157 6.195 -2.170 138 HA ALA 23 HA ALA 23 -3.513 8.614 -1.496 139 HB1 ALA 23 3HB ALA 23 -3.467 5.854 -0.333 140 HB2 ALA 23 1HB ALA 23 -4.309 7.172 0.482 141 HB3 ALA 23 2HB ALA 23 -4.783 6.696 -1.149 142 H CYS 24 H CYS 24 -0.869 6.766 -0.057 143 HA CYS 24 HA CYS 24 -0.618 8.026 2.381 144 HB2 CYS 24 1HB CYS 24 0.814 6.219 2.101 145 HB3 CYS 24 2HB CYS 24 1.355 6.761 0.517 146 HG CYS 24 HG CYS 24 3.271 8.397 1.315 147 H GLU 25 H GLU 25 0.609 9.070 -0.768 148 HA GLU 25 HA GLU 25 1.690 11.510 0.405 149 HB2 GLU 25 1HB GLU 25 1.767 10.402 -2.404 150 HB3 GLU 25 2HB GLU 25 2.450 11.957 -1.952 151 HG2 GLU 25 1HG GLU 25 3.273 9.401 -0.617 152 HG3 GLU 25 2HG GLU 25 4.039 9.989 -2.091 153 H THR 26 H THR 26 -0.990 10.410 -1.534 154 HA THR 26 HA THR 26 -1.821 13.027 -2.368 155 HB THR 26 HB THR 26 -3.170 10.332 -2.457 156 HG1 THR 26 HG1 THR 26 -2.962 10.999 -4.807 157 HG21 THR 26 3HG2 THR 26 -4.237 12.985 -3.429 158 HG22 THR 26 1HG2 THR 26 -4.918 11.989 -2.143 159 HG23 THR 26 2HG2 THR 26 -4.933 11.410 -3.809 160 H LEU 27 H LEU 27 -3.593 10.641 -0.399 161 HA LEU 27 HA LEU 27 -5.188 12.664 0.830 162 HB2 LEU 27 1HB LEU 27 -4.824 9.787 1.652 163 HB3 LEU 27 2HB LEU 27 -6.135 10.860 2.140 164 HG LEU 27 HG LEU 27 -5.642 9.890 -0.675 165 HD11 LEU 27 1HD1 LEU 27 -7.681 8.546 -0.297 166 HD12 LEU 27 2HD1 LEU 27 -7.637 9.007 1.404 167 HD13 LEU 27 3HD1 LEU 27 -6.326 8.048 0.716 168 HD21 LEU 27 3HD2 LEU 27 -7.888 11.487 0.550 169 HD22 LEU 27 1HD2 LEU 27 -7.903 10.804 -1.076 170 HD23 LEU 27 2HD2 LEU 27 -6.725 12.046 -0.653 171 H GLY 28 H GLY 28 -2.466 10.658 1.900 172 HA2 GLY 28 1HA GLY 28 -0.795 11.576 3.366 173 HA3 GLY 28 2HA GLY 28 -2.041 12.582 4.089 174 H LEU 29 H LEU 29 -0.159 9.913 4.556 175 HA LEU 29 HA LEU 29 -1.715 7.968 5.703 176 HB2 LEU 29 1HB LEU 29 0.981 8.991 6.571 177 HB3 LEU 29 2HB LEU 29 0.243 7.518 7.198 178 HG LEU 29 HG LEU 29 0.981 7.992 4.310 179 HD11 LEU 29 1HD1 LEU 29 2.349 6.076 6.152 180 HD12 LEU 29 2HD1 LEU 29 2.846 7.766 6.089 181 HD13 LEU 29 3HD1 LEU 29 2.918 6.772 4.634 182 HD21 LEU 29 3HD2 LEU 29 -0.409 6.293 3.937 183 HD22 LEU 29 1HD2 LEU 29 -0.627 5.997 5.662 184 HD23 LEU 29 2HD2 LEU 29 0.739 5.278 4.810 185 H GLY 30 H GLY 30 -1.145 11.168 6.843 186 HA2 GLY 30 1HA GLY 30 -1.432 11.063 9.552 187 HA3 GLY 30 2HA GLY 30 -2.162 12.318 8.563 188 H ASN 31 H ASN 31 -3.965 10.559 7.159 189 HA ASN 31 HA ASN 31 -5.742 9.708 9.345 190 HB2 ASN 31 1HB ASN 31 -6.314 11.972 8.248 191 HB3 ASN 31 2HB ASN 31 -6.790 11.019 6.845 192 HD21 ASN 31 1HD2 ASN 31 -7.566 11.957 10.067 193 HD22 ASN 31 2HD2 ASN 31 -9.133 11.231 10.131 194 H TRP 32 H TRP 32 -5.238 7.540 9.002 195 HA TRP 32 HA TRP 32 -5.194 6.245 6.518 196 HB2 TRP 32 1HB TRP 32 -5.773 5.190 9.290 197 HB3 TRP 32 2HB TRP 32 -5.585 4.156 7.877 198 HD1 TRP 32 HD1 TRP 32 -3.600 6.100 10.431 199 HE1 TRP 32 HE1 TRP 32 -1.087 5.693 10.050 200 HE3 TRP 32 HE3 TRP 32 -3.841 3.692 5.927 201 HZ2 TRP 32 HZ2 TRP 32 0.573 4.508 8.098 202 HZ3 TRP 32 HZ3 TRP 32 -1.745 2.955 4.870 203 HH2 TRP 32 HH2 TRP 32 0.415 3.356 5.934 204 H ALA 33 H ALA 33 -7.834 6.915 8.748 205 HA ALA 33 HA ALA 33 -9.856 5.324 7.919 206 HB1 ALA 33 3HB ALA 33 -10.790 6.686 9.419 207 HB2 ALA 33 1HB ALA 33 -9.685 8.006 9.033 208 HB3 ALA 33 2HB ALA 33 -11.137 7.758 8.062 209 H ASP 34 H ASP 34 -8.639 8.169 6.208 210 HA ASP 34 HA ASP 34 -10.592 7.991 4.112 211 HB2 ASP 34 1HB ASP 34 -9.147 10.042 4.966 212 HB3 ASP 34 2HB ASP 34 -8.022 9.464 3.740 213 H ILE 35 H ILE 35 -7.185 7.105 4.479 214 HA ILE 35 HA ILE 35 -6.674 6.307 1.857 215 HB ILE 35 HB ILE 35 -5.526 5.202 4.422 216 HG12 ILE 35 1HG1 ILE 35 -4.186 7.116 2.532 217 HG13 ILE 35 2HG1 ILE 35 -5.285 7.705 3.774 218 HG21 ILE 35 1HG2 ILE 35 -5.245 4.273 1.750 219 HG22 ILE 35 2HG2 ILE 35 -3.716 4.989 2.254 220 HG23 ILE 35 3HG2 ILE 35 -4.440 3.696 3.209 221 HD11 ILE 35 3HD1 ILE 35 -2.545 7.034 4.001 222 HD12 ILE 35 1HD1 ILE 35 -3.636 7.658 5.238 223 HD13 ILE 35 2HD1 ILE 35 -3.470 5.918 5.004 224 H ALA 36 H ALA 36 -8.100 4.531 4.554 225 HA ALA 36 HA ALA 36 -8.120 1.965 3.529 226 HB1 ALA 36 3HB ALA 36 -10.423 3.135 5.068 227 HB2 ALA 36 1HB ALA 36 -9.846 1.468 5.062 228 HB3 ALA 36 2HB ALA 36 -8.877 2.734 5.816 229 H ASP 37 H ASP 37 -10.428 4.592 2.953 230 HA ASP 37 HA ASP 37 -12.139 3.020 1.289 231 HB2 ASP 37 1HB ASP 37 -12.826 5.084 2.579 232 HB3 ASP 37 2HB ASP 37 -11.959 6.034 1.375 233 H TYR 38 H TYR 38 -9.188 4.673 0.807 234 HA TYR 38 HA TYR 38 -9.561 4.988 -2.057 235 HB2 TYR 38 1HB TYR 38 -8.316 6.687 -0.746 236 HB3 TYR 38 2HB TYR 38 -7.097 5.474 -0.370 237 HD1 TYR 38 HD1 TYR 38 -5.746 4.487 -2.257 238 HD2 TYR 38 HD2 TYR 38 -8.251 7.886 -2.777 239 HE1 TYR 38 HE1 TYR 38 -4.537 5.054 -4.322 240 HE2 TYR 38 HE2 TYR 38 -7.050 8.461 -4.845 241 HH TYR 38 HH TYR 38 -4.243 6.589 -5.922 242 H VAL 39 H VAL 39 -7.960 2.849 0.198 243 HA VAL 39 HA VAL 39 -6.603 1.411 -1.943 244 HB VAL 39 HB VAL 39 -6.631 0.881 1.032 245 HG11 VAL 39 1HG1 VAL 39 -6.006 -0.896 -0.941 246 HG12 VAL 39 2HG1 VAL 39 -4.434 -0.175 -0.590 247 HG13 VAL 39 3HG1 VAL 39 -5.364 -0.939 0.701 248 HG21 VAL 39 3HG2 VAL 39 -5.577 3.043 0.207 249 HG22 VAL 39 1HG2 VAL 39 -4.550 1.976 1.165 250 HG23 VAL 39 2HG2 VAL 39 -4.374 2.029 -0.589 251 H GLY 40 H GLY 40 -8.547 0.309 0.841 252 HA2 GLY 40 1HA GLY 40 -10.223 -1.259 0.983 253 HA3 GLY 40 2HA GLY 40 -10.483 -1.032 -0.741 254 H ASN 41 H ASN 41 -10.400 -2.913 -1.759 255 HA ASN 41 HA ASN 41 -9.801 -5.023 -2.368 256 HB2 ASN 41 1HB ASN 41 -7.019 -4.509 -1.377 257 HB3 ASN 41 2HB ASN 41 -7.546 -5.344 -2.835 258 HD21 ASN 41 1HD2 ASN 41 -6.104 -2.637 -1.738 259 HD22 ASN 41 2HD2 ASN 41 -6.452 -1.560 -3.043 260 H ALA 42 H ALA 42 -11.069 -5.138 -0.052 261 HA ALA 42 HA ALA 42 -11.462 -6.507 1.725 262 HB1 ALA 42 3HB ALA 42 -10.815 -8.607 1.384 263 HB2 ALA 42 1HB ALA 42 -9.870 -8.015 0.018 264 HB3 ALA 42 2HB ALA 42 -9.116 -8.190 1.603 265 H ARG 43 H ARG 43 -9.682 -4.123 1.866 266 HA ARG 43 HA ARG 43 -8.274 -4.823 4.359 267 HB2 ARG 43 1HB ARG 43 -7.480 -2.581 2.503 268 HB3 ARG 43 2HB ARG 43 -6.573 -3.225 3.866 269 HG2 ARG 43 1HG ARG 43 -7.195 -4.761 1.353 270 HG3 ARG 43 2HG ARG 43 -5.682 -3.909 1.666 271 HD2 ARG 43 1HD ARG 43 -5.104 -5.358 3.422 272 HD3 ARG 43 2HD ARG 43 -6.745 -5.992 3.548 273 HE ARG 43 HE ARG 43 -5.593 -6.532 0.999 274 HH11 ARG 43 1HH1 ARG 43 -5.644 -7.574 4.320 275 HH12 ARG 43 2HH1 ARG 43 -5.207 -9.209 3.950 276 HH21 ARG 43 1HH2 ARG 43 -5.018 -8.682 0.499 277 HH22 ARG 43 2HH2 ARG 43 -4.850 -9.838 1.776 278 H THR 44 H THR 44 -7.735 -2.506 5.476 279 HA THR 44 HA THR 44 -9.808 -0.558 5.326 280 HB THR 44 HB THR 44 -11.194 -2.154 6.435 281 HG1 THR 44 HG1 THR 44 -10.172 -0.483 8.499 282 HG21 THR 44 3HG2 THR 44 -10.394 -3.764 7.750 283 HG22 THR 44 1HG2 THR 44 -9.777 -2.574 8.896 284 HG23 THR 44 2HG2 THR 44 -8.779 -3.090 7.536 285 H LYS 45 H LYS 45 -9.550 1.152 6.920 286 HA LYS 45 HA LYS 45 -7.071 2.148 7.232 287 HB2 LYS 45 1HB LYS 45 -7.905 3.444 9.171 288 HB3 LYS 45 2HB LYS 45 -9.035 3.434 7.824 289 HG2 LYS 45 1HG LYS 45 -10.116 1.437 9.082 290 HG3 LYS 45 2HG LYS 45 -9.238 2.076 10.474 291 HD2 LYS 45 1HD LYS 45 -10.400 4.115 10.407 292 HD3 LYS 45 2HD LYS 45 -10.984 3.827 8.767 293 HE2 LYS 45 1HE LYS 45 -12.507 2.169 9.505 294 HE3 LYS 45 2HE LYS 45 -11.763 2.096 11.102 295 HZ1 LYS 45 3HZ LYS 45 -12.896 4.645 10.197 296 HZ2 LYS 45 1HZ LYS 45 -12.772 4.017 11.763 297 HZ3 LYS 45 2HZ LYS 45 -13.956 3.429 10.707 298 H GLU 46 H GLU 46 -8.687 0.081 9.638 299 HA GLU 46 HA GLU 46 -6.675 0.004 11.543 300 HB2 GLU 46 1HB GLU 46 -8.765 -2.005 10.739 301 HB3 GLU 46 2HB GLU 46 -7.631 -2.338 12.041 302 HG2 GLU 46 1HG GLU 46 -9.754 -0.230 11.905 303 HG3 GLU 46 2HG GLU 46 -9.549 -1.518 13.092 304 H GLU 47 H GLU 47 -7.086 -1.970 8.638 305 HA GLU 47 HA GLU 47 -4.691 -3.498 9.192 306 HB2 GLU 47 1HB GLU 47 -6.746 -3.506 7.007 307 HB3 GLU 47 2HB GLU 47 -5.217 -4.345 6.783 308 HG2 GLU 47 1HG GLU 47 -5.654 -5.836 8.545 309 HG3 GLU 47 2HG GLU 47 -6.981 -4.849 9.156 310 H CYS 48 H CYS 48 -5.708 -1.582 6.358 311 HA CYS 48 HA CYS 48 -3.445 -1.315 4.971 312 HB2 CYS 48 1HB CYS 48 -5.339 0.931 5.683 313 HB3 CYS 48 2HB CYS 48 -4.125 1.033 4.414 314 HG CYS 48 HG CYS 48 -6.380 0.619 2.997 315 H ARG 49 H ARG 49 -4.108 0.334 8.014 316 HA ARG 49 HA ARG 49 -1.893 2.045 8.053 317 HB2 ARG 49 1HB ARG 49 -3.693 2.344 9.626 318 HB3 ARG 49 2HB ARG 49 -3.417 0.749 10.315 319 HG2 ARG 49 1HG ARG 49 -1.459 1.419 11.389 320 HG3 ARG 49 2HG ARG 49 -1.293 2.859 10.382 321 HD2 ARG 49 1HD ARG 49 -3.519 3.596 11.437 322 HD3 ARG 49 2HD ARG 49 -3.199 2.349 12.641 323 HE ARG 49 HE ARG 49 -1.028 4.201 12.217 324 HH11 ARG 49 1HH1 ARG 49 -3.922 3.495 14.017 325 HH12 ARG 49 2HH1 ARG 49 -3.489 4.499 15.360 326 HH21 ARG 49 1HH2 ARG 49 -0.446 5.528 13.979 327 HH22 ARG 49 2HH2 ARG 49 -1.511 5.656 15.337 328 H ASP 50 H ASP 50 -2.183 -0.837 10.120 329 HA ASP 50 HA ASP 50 0.505 -1.089 10.717 330 HB2 ASP 50 1HB ASP 50 -1.719 -3.115 10.590 331 HB3 ASP 50 2HB ASP 50 -0.088 -3.571 11.072 332 H HIS 51 H HIS 51 -1.307 -2.471 8.012 333 HA HIS 51 HA HIS 51 0.498 -4.200 6.919 334 HB2 HIS 51 1HB HIS 51 -1.573 -4.046 5.826 335 HB3 HIS 51 2HB HIS 51 -1.444 -2.300 5.633 336 HD1 HIS 51 HD1 HIS 51 0.334 -5.412 4.351 337 HD2 HIS 51 HD2 HIS 51 -0.672 -1.564 3.149 338 HE1 HIS 51 HE1 HIS 51 1.081 -5.239 1.956 339 HE2 HIS 51 HE2 HIS 51 0.539 -2.874 1.277 340 H TYR 52 H TYR 52 0.520 -0.680 6.700 341 HA TYR 52 HA TYR 52 2.776 -0.604 4.923 342 HB2 TYR 52 1HB TYR 52 1.002 1.174 5.042 343 HB3 TYR 52 2HB TYR 52 1.661 1.647 6.604 344 HD1 TYR 52 HD2 TYR 52 4.305 2.072 6.550 345 HD2 TYR 52 HD1 TYR 52 1.706 2.353 3.193 346 HE1 TYR 52 HE2 TYR 52 5.926 3.540 5.425 347 HE2 TYR 52 HE1 TYR 52 3.321 3.821 2.058 348 HH TYR 52 HH TYR 52 6.290 4.881 3.673 349 H LEU 53 H LEU 53 2.247 -0.274 8.389 350 HA LEU 53 HA LEU 53 4.995 0.414 8.926 351 HB2 LEU 53 1HB LEU 53 2.724 -0.350 10.754 352 HB3 LEU 53 2HB LEU 53 4.315 0.173 11.302 353 HG LEU 53 HG LEU 53 2.547 1.909 9.594 354 HD11 LEU 53 1HD1 LEU 53 1.530 2.834 11.445 355 HD12 LEU 53 2HD1 LEU 53 2.756 2.225 12.557 356 HD13 LEU 53 3HD1 LEU 53 1.565 1.122 11.867 357 HD21 LEU 53 3HD2 LEU 53 4.018 3.606 10.059 358 HD22 LEU 53 1HD2 LEU 53 5.118 2.228 10.009 359 HD23 LEU 53 2HD2 LEU 53 4.573 2.864 11.561 360 H LYS 54 H LYS 54 3.361 -2.428 8.244 361 HA LYS 54 HA LYS 54 5.343 -4.057 9.691 362 HB2 LYS 54 1HB LYS 54 3.807 -5.803 9.811 363 HB3 LYS 54 2HB LYS 54 2.796 -4.383 10.042 364 HG2 LYS 54 1HG LYS 54 1.530 -5.490 8.522 365 HG3 LYS 54 2HG LYS 54 2.557 -4.576 7.414 366 HD2 LYS 54 1HD LYS 54 2.762 -6.670 6.512 367 HD3 LYS 54 2HD LYS 54 4.109 -6.697 7.652 368 HE2 LYS 54 1HE LYS 54 2.794 -8.754 7.774 369 HE3 LYS 54 2HE LYS 54 2.716 -7.850 9.286 370 HZ1 LYS 54 3HZ LYS 54 0.631 -7.662 7.188 371 HZ2 LYS 54 1HZ LYS 54 0.547 -7.110 8.785 372 HZ3 LYS 54 2HZ LYS 54 0.555 -8.770 8.464 373 H THR 55 H THR 55 4.227 -3.076 6.601 374 HA THR 55 HA THR 55 5.591 -5.260 5.225 375 HB THR 55 HB THR 55 3.937 -2.965 4.160 376 HG1 THR 55 HG1 THR 55 2.726 -5.045 3.497 377 HG21 THR 55 3HG2 THR 55 4.074 -4.160 1.989 378 HG22 THR 55 1HG2 THR 55 5.278 -5.239 2.693 379 HG23 THR 55 2HG2 THR 55 5.627 -3.519 2.523 380 H TYR 56 H TYR 56 5.661 -1.700 5.306 381 HA TYR 56 HA TYR 56 8.046 -1.535 3.738 382 HB2 TYR 56 1HB TYR 56 6.500 0.472 5.371 383 HB3 TYR 56 2HB TYR 56 7.999 0.890 4.550 384 HD1 TYR 56 HD1 TYR 56 4.631 -0.571 3.896 385 HD2 TYR 56 HD2 TYR 56 7.934 1.615 2.342 386 HE1 TYR 56 HE1 TYR 56 3.371 -0.149 1.826 387 HE2 TYR 56 HE2 TYR 56 6.683 2.044 0.268 388 HH TYR 56 HH TYR 56 4.794 1.719 -0.843 389 H ILE 57 H ILE 57 7.439 -0.543 7.113 390 HA ILE 57 HA ILE 57 10.152 -0.343 7.812 391 HB ILE 57 HB ILE 57 7.820 -0.886 9.654 392 HG12 ILE 57 1HG1 ILE 57 7.542 1.122 8.191 393 HG13 ILE 57 2HG1 ILE 57 7.630 1.506 9.907 394 HG21 ILE 57 1HG2 ILE 57 9.927 -1.302 10.747 395 HG22 ILE 57 2HG2 ILE 57 10.567 0.238 10.177 396 HG23 ILE 57 3HG2 ILE 57 9.250 0.211 11.349 397 HD11 ILE 57 3HD1 ILE 57 9.107 2.647 7.866 398 HD12 ILE 57 1HD1 ILE 57 9.393 2.809 9.598 399 HD13 ILE 57 2HD1 ILE 57 10.239 1.566 8.677 400 H GLU 58 H GLU 58 7.818 -2.851 8.823 401 HA GLU 58 HA GLU 58 10.079 -4.670 9.267 402 HB2 GLU 58 1HB GLU 58 8.426 -4.214 11.124 403 HB3 GLU 58 2HB GLU 58 7.219 -5.048 10.156 404 HG2 GLU 58 1HG GLU 58 7.899 -6.771 11.459 405 HG3 GLU 58 2HG GLU 58 9.054 -6.944 10.139 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -0.431 -15.614 -8.498 2 HA2 GLY 1 1HA GLY 1 0.224 -14.192 -6.027 3 HA3 GLY 1 2HA GLY 1 -1.059 -15.390 -5.951 4 H SER 2 H SER 2 1.260 -15.565 -4.412 5 HA SER 2 HA SER 2 2.364 -18.068 -5.452 6 HB2 SER 2 1HB SER 2 4.081 -15.853 -4.306 7 HB3 SER 2 2HB SER 2 4.645 -17.431 -4.855 8 HG SER 2 HG SER 2 4.684 -16.678 -6.807 9 H SER 3 H SER 3 3.789 -19.102 -3.653 10 HA SER 3 HA SER 3 2.237 -18.938 -1.162 11 HB2 SER 3 1HB SER 3 3.155 -21.224 -0.715 12 HB3 SER 3 2HB SER 3 2.164 -21.133 -2.171 13 HG SER 3 HG SER 3 4.906 -21.536 -1.900 14 H GLY 4 H GLY 4 3.153 -18.107 0.593 15 HA2 GLY 4 1HA GLY 4 6.075 -17.736 0.589 16 HA3 GLY 4 2HA GLY 4 4.930 -16.763 1.501 17 H SER 5 H SER 5 6.823 -17.444 3.048 18 HA SER 5 HA SER 5 6.591 -20.080 4.173 19 HB2 SER 5 1HB SER 5 8.222 -19.255 5.842 20 HB3 SER 5 2HB SER 5 8.748 -18.932 4.190 21 HG SER 5 HG SER 5 7.487 -16.813 4.727 22 H SER 6 H SER 6 6.410 -20.169 6.686 23 HA SER 6 HA SER 6 3.769 -19.556 7.372 24 HB2 SER 6 1HB SER 6 6.165 -20.517 8.871 25 HB3 SER 6 2HB SER 6 4.776 -19.952 9.798 26 HG SER 6 HG SER 6 3.655 -21.637 9.168 27 H GLY 7 H GLY 7 2.985 -17.556 7.542 28 HA2 GLY 7 1HA GLY 7 3.117 -15.792 9.456 29 HA3 GLY 7 2HA GLY 7 4.671 -15.455 8.708 30 H PHE 8 H PHE 8 3.398 -13.300 8.689 31 HA PHE 8 HA PHE 8 2.023 -13.105 6.090 32 HB2 PHE 8 1HB PHE 8 1.494 -11.386 8.522 33 HB3 PHE 8 2HB PHE 8 0.644 -11.315 6.982 34 HD1 PHE 8 HD2 PHE 8 -0.796 -13.228 6.290 35 HD2 PHE 8 HD1 PHE 8 0.886 -12.934 10.189 36 HE1 PHE 8 HE2 PHE 8 -2.429 -14.873 7.114 37 HE2 PHE 8 HE1 PHE 8 -0.744 -14.580 11.019 38 HZ PHE 8 HZ PHE 8 -2.405 -15.550 9.482 39 H ASP 9 H ASP 9 3.833 -12.519 4.927 40 HA ASP 9 HA ASP 9 5.064 -9.948 5.681 41 HB2 ASP 9 1HB ASP 9 6.637 -11.863 5.783 42 HB3 ASP 9 2HB ASP 9 6.321 -12.187 4.080 43 H GLU 10 H GLU 10 4.452 -8.341 4.407 44 HA GLU 10 HA GLU 10 3.360 -7.316 2.640 45 HB2 GLU 10 1HB GLU 10 5.602 -8.630 1.107 46 HB3 GLU 10 2HB GLU 10 4.828 -7.088 0.768 47 HG2 GLU 10 1HG GLU 10 5.826 -6.073 2.668 48 HG3 GLU 10 2HG GLU 10 6.402 -7.627 3.269 49 H ASN 11 H ASN 11 1.836 -9.431 3.075 50 HA ASN 11 HA ASN 11 1.634 -11.087 0.707 51 HB2 ASN 11 1HB ASN 11 -0.394 -10.998 2.926 52 HB3 ASN 11 2HB ASN 11 0.035 -12.348 1.880 53 HD21 ASN 11 1HD2 ASN 11 1.485 -13.771 2.575 54 HD22 ASN 11 2HD2 ASN 11 2.454 -13.595 3.995 55 H TRP 12 H TRP 12 1.364 -8.457 0.002 56 HA TRP 12 HA TRP 12 -1.525 -8.149 -0.484 57 HB2 TRP 12 1HB TRP 12 0.694 -6.136 -0.219 58 HB3 TRP 12 2HB TRP 12 -0.801 -5.729 -1.057 59 HD1 TRP 12 HD1 TRP 12 -0.574 -7.811 2.188 60 HE1 TRP 12 HE1 TRP 12 -1.878 -6.570 4.028 61 HE3 TRP 12 HE3 TRP 12 -1.730 -3.541 -0.375 62 HZ2 TRP 12 HZ2 TRP 12 -3.219 -4.108 4.350 63 HZ3 TRP 12 HZ3 TRP 12 -3.027 -1.792 0.771 64 HH2 TRP 12 HH2 TRP 12 -3.755 -2.072 3.085 65 H GLY 13 H GLY 13 -1.711 -6.583 -2.589 66 HA2 GLY 13 1HA GLY 13 -0.282 -8.059 -4.711 67 HA3 GLY 13 2HA GLY 13 -1.914 -7.427 -4.874 68 H ALA 14 H ALA 14 -0.259 -6.789 -6.841 69 HA ALA 14 HA ALA 14 1.314 -4.472 -6.459 70 HB1 ALA 14 3HB ALA 14 1.879 -5.518 -8.407 71 HB2 ALA 14 1HB ALA 14 0.209 -5.919 -8.808 72 HB3 ALA 14 2HB ALA 14 0.802 -4.275 -9.043 73 H ASP 15 H ASP 15 -2.080 -4.967 -7.222 74 HA ASP 15 HA ASP 15 -2.673 -2.291 -7.933 75 HB2 ASP 15 1HB ASP 15 -4.068 -4.435 -8.321 76 HB3 ASP 15 2HB ASP 15 -4.668 -4.166 -6.687 77 H GLU 16 H GLU 16 -3.683 -4.021 -4.980 78 HA GLU 16 HA GLU 16 -4.426 -1.772 -3.531 79 HB2 GLU 16 1HB GLU 16 -4.169 -3.194 -1.519 80 HB3 GLU 16 2HB GLU 16 -5.053 -3.993 -2.811 81 HG2 GLU 16 1HG GLU 16 -3.052 -5.240 -3.424 82 HG3 GLU 16 2HG GLU 16 -2.151 -4.429 -2.145 83 H GLU 17 H GLU 17 -1.289 -2.964 -4.281 84 HA GLU 17 HA GLU 17 0.074 -1.634 -2.126 85 HB2 GLU 17 1HB GLU 17 0.927 -3.121 -4.583 86 HB3 GLU 17 2HB GLU 17 2.096 -2.135 -3.715 87 HG2 GLU 17 1HG GLU 17 0.455 -4.151 -2.248 88 HG3 GLU 17 2HG GLU 17 1.873 -4.654 -3.165 89 H LEU 18 H LEU 18 -0.685 -0.942 -5.486 90 HA LEU 18 HA LEU 18 0.969 1.358 -5.716 91 HB2 LEU 18 1HB LEU 18 0.432 0.632 -7.790 92 HB3 LEU 18 2HB LEU 18 -1.164 0.069 -7.297 93 HG LEU 18 HG LEU 18 -1.760 2.590 -7.212 94 HD11 LEU 18 1HD1 LEU 18 0.942 2.736 -8.032 95 HD12 LEU 18 2HD1 LEU 18 -0.217 4.050 -7.835 96 HD13 LEU 18 3HD1 LEU 18 -0.057 3.243 -9.395 97 HD21 LEU 18 3HD2 LEU 18 -2.786 2.310 -9.210 98 HD22 LEU 18 1HD2 LEU 18 -2.236 0.648 -8.993 99 HD23 LEU 18 2HD2 LEU 18 -1.317 1.755 -10.013 100 H LEU 19 H LEU 19 -2.362 0.826 -4.722 101 HA LEU 19 HA LEU 19 -3.104 3.570 -4.657 102 HB2 LEU 19 1HB LEU 19 -4.258 1.156 -3.271 103 HB3 LEU 19 2HB LEU 19 -4.994 2.757 -3.248 104 HG LEU 19 HG LEU 19 -4.474 1.274 -5.812 105 HD11 LEU 19 1HD1 LEU 19 -7.033 0.841 -5.585 106 HD12 LEU 19 2HD1 LEU 19 -6.710 0.977 -3.857 107 HD13 LEU 19 3HD1 LEU 19 -5.881 -0.250 -4.815 108 HD21 LEU 19 3HD2 LEU 19 -4.885 3.580 -6.164 109 HD22 LEU 19 1HD2 LEU 19 -6.210 3.594 -5.000 110 HD23 LEU 19 2HD2 LEU 19 -6.393 2.742 -6.533 111 H LEU 20 H LEU 20 -2.255 1.269 -2.068 112 HA LEU 20 HA LEU 20 -2.422 2.817 0.145 113 HB2 LEU 20 1HB LEU 20 -1.717 0.515 0.243 114 HB3 LEU 20 2HB LEU 20 -0.207 0.906 -0.576 115 HG LEU 20 HG LEU 20 0.513 2.198 1.378 116 HD11 LEU 20 1HD1 LEU 20 -2.097 1.274 2.566 117 HD12 LEU 20 2HD1 LEU 20 -1.615 2.935 2.227 118 HD13 LEU 20 3HD1 LEU 20 -0.780 2.013 3.477 119 HD21 LEU 20 3HD2 LEU 20 0.132 -0.020 2.975 120 HD22 LEU 20 1HD2 LEU 20 1.449 0.226 1.829 121 HD23 LEU 20 2HD2 LEU 20 0.007 -0.663 1.337 122 H ILE 21 H ILE 21 0.254 2.832 -2.179 123 HA ILE 21 HA ILE 21 1.787 4.781 -0.775 124 HB ILE 21 HB ILE 21 1.915 3.913 -3.665 125 HG12 ILE 21 1HG1 ILE 21 3.759 3.192 -1.384 126 HG13 ILE 21 2HG1 ILE 21 2.383 2.199 -1.853 127 HG21 ILE 21 1HG2 ILE 21 4.362 4.992 -2.611 128 HG22 ILE 21 2HG2 ILE 21 3.453 5.469 -4.045 129 HG23 ILE 21 3HG2 ILE 21 3.058 6.172 -2.476 130 HD11 ILE 21 3HD1 ILE 21 3.357 1.556 -3.833 131 HD12 ILE 21 1HD1 ILE 21 4.420 2.962 -3.891 132 HD13 ILE 21 2HD1 ILE 21 4.749 1.653 -2.755 133 H ASP 22 H ASP 22 -0.018 4.997 -3.848 134 HA ASP 22 HA ASP 22 0.184 7.659 -4.366 135 HB2 ASP 22 1HB ASP 22 -1.095 5.833 -5.657 136 HB3 ASP 22 2HB ASP 22 -2.469 6.262 -4.641 137 H ALA 23 H ALA 23 -2.088 6.132 -2.119 138 HA ALA 23 HA ALA 23 -3.395 8.560 -1.398 139 HB1 ALA 23 3HB ALA 23 -3.347 5.800 -0.227 140 HB2 ALA 23 1HB ALA 23 -4.184 7.127 0.577 141 HB3 ALA 23 2HB ALA 23 -4.666 6.635 -1.046 142 H CYS 24 H CYS 24 -0.810 6.625 0.064 143 HA CYS 24 HA CYS 24 -0.496 7.947 2.462 144 HB2 CYS 24 1HB CYS 24 0.835 6.055 2.241 145 HB3 CYS 24 2HB CYS 24 1.412 6.522 0.646 146 HG CYS 24 HG CYS 24 3.634 7.500 1.457 147 H GLU 25 H GLU 25 0.740 8.841 -0.724 148 HA GLU 25 HA GLU 25 1.988 11.238 0.370 149 HB2 GLU 25 1HB GLU 25 1.940 10.061 -2.411 150 HB3 GLU 25 2HB GLU 25 2.717 11.588 -2.015 151 HG2 GLU 25 1HG GLU 25 4.146 10.370 -0.388 152 HG3 GLU 25 2HG GLU 25 3.438 8.863 -0.967 153 H THR 26 H THR 26 -0.822 10.252 -1.418 154 HA THR 26 HA THR 26 -1.509 12.903 -2.307 155 HB THR 26 HB THR 26 -3.013 10.289 -2.333 156 HG1 THR 26 HG1 THR 26 -1.266 10.724 -3.870 157 HG21 THR 26 3HG2 THR 26 -4.752 11.414 -3.630 158 HG22 THR 26 1HG2 THR 26 -3.931 12.958 -3.411 159 HG23 THR 26 2HG2 THR 26 -4.619 12.120 -2.020 160 H LEU 27 H LEU 27 -3.390 10.643 -0.292 161 HA LEU 27 HA LEU 27 -4.822 12.779 0.955 162 HB2 LEU 27 1HB LEU 27 -4.667 9.862 1.701 163 HB3 LEU 27 2HB LEU 27 -5.848 11.021 2.309 164 HG LEU 27 HG LEU 27 -5.603 10.072 -0.546 165 HD11 LEU 27 1HD1 LEU 27 -7.591 8.837 -0.170 166 HD12 LEU 27 2HD1 LEU 27 -7.816 9.553 1.425 167 HD13 LEU 27 3HD1 LEU 27 -6.485 8.430 1.142 168 HD21 LEU 27 3HD2 LEU 27 -7.800 11.272 -0.776 169 HD22 LEU 27 1HD2 LEU 27 -6.390 12.313 -0.580 170 HD23 LEU 27 2HD2 LEU 27 -7.469 12.025 0.785 171 H GLY 28 H GLY 28 -2.231 10.584 1.969 172 HA2 GLY 28 1HA GLY 28 -0.485 11.350 3.425 173 HA3 GLY 28 2HA GLY 28 -1.636 12.456 4.160 174 H LEU 29 H LEU 29 -0.001 9.598 4.563 175 HA LEU 29 HA LEU 29 -1.638 7.770 5.717 176 HB2 LEU 29 1HB LEU 29 1.064 8.697 6.668 177 HB3 LEU 29 2HB LEU 29 0.250 7.262 7.289 178 HG LEU 29 HG LEU 29 1.000 7.633 4.393 179 HD11 LEU 29 1HD1 LEU 29 2.482 5.882 6.313 180 HD12 LEU 29 2HD1 LEU 29 2.917 7.580 6.124 181 HD13 LEU 29 3HD1 LEU 29 2.987 6.493 4.737 182 HD21 LEU 29 3HD2 LEU 29 -0.683 5.809 5.698 183 HD22 LEU 29 1HD2 LEU 29 0.806 4.933 5.346 184 HD23 LEU 29 2HD2 LEU 29 -0.079 5.726 4.042 185 H GLY 30 H GLY 30 -0.873 10.926 6.937 186 HA2 GLY 30 1HA GLY 30 -1.308 10.834 9.610 187 HA3 GLY 30 2HA GLY 30 -1.934 12.130 8.601 188 H ASN 31 H ASN 31 -3.779 10.501 7.120 189 HA ASN 31 HA ASN 31 -5.692 9.774 9.239 190 HB2 ASN 31 1HB ASN 31 -6.026 12.013 7.882 191 HB3 ASN 31 2HB ASN 31 -6.660 10.923 6.652 192 HD21 ASN 31 1HD2 ASN 31 -8.593 12.273 7.112 193 HD22 ASN 31 2HD2 ASN 31 -9.657 11.744 8.366 194 H TRP 32 H TRP 32 -5.250 7.573 9.008 195 HA TRP 32 HA TRP 32 -5.174 6.185 6.567 196 HB2 TRP 32 1HB TRP 32 -5.754 5.299 9.390 197 HB3 TRP 32 2HB TRP 32 -5.719 4.168 8.040 198 HD1 TRP 32 HD1 TRP 32 -3.481 5.951 10.454 199 HE1 TRP 32 HE1 TRP 32 -1.023 5.377 9.953 200 HE3 TRP 32 HE3 TRP 32 -4.091 3.649 5.930 201 HZ2 TRP 32 HZ2 TRP 32 0.461 4.115 7.910 202 HZ3 TRP 32 HZ3 TRP 32 -2.101 2.787 4.768 203 HH2 TRP 32 HH2 TRP 32 0.127 3.017 5.739 204 H ALA 33 H ALA 33 -7.833 6.966 8.747 205 HA ALA 33 HA ALA 33 -9.870 5.397 7.889 206 HB1 ALA 33 3HB ALA 33 -10.617 6.804 9.499 207 HB2 ALA 33 1HB ALA 33 -9.727 8.186 8.860 208 HB3 ALA 33 2HB ALA 33 -11.238 7.683 8.102 209 H ASP 34 H ASP 34 -8.664 8.300 6.250 210 HA ASP 34 HA ASP 34 -10.570 8.149 4.123 211 HB2 ASP 34 1HB ASP 34 -9.190 10.195 4.990 212 HB3 ASP 34 2HB ASP 34 -7.958 9.602 3.880 213 H ILE 35 H ILE 35 -7.245 7.085 4.589 214 HA ILE 35 HA ILE 35 -6.677 6.362 1.937 215 HB ILE 35 HB ILE 35 -5.614 5.195 4.511 216 HG12 ILE 35 1HG1 ILE 35 -4.349 7.188 2.622 217 HG13 ILE 35 2HG1 ILE 35 -5.225 7.643 4.080 218 HG21 ILE 35 1HG2 ILE 35 -5.367 3.685 2.547 219 HG22 ILE 35 2HG2 ILE 35 -4.441 4.954 1.747 220 HG23 ILE 35 3HG2 ILE 35 -3.834 4.224 3.233 221 HD11 ILE 35 3HD1 ILE 35 -3.090 5.667 4.469 222 HD12 ILE 35 1HD1 ILE 35 -2.561 7.269 3.956 223 HD13 ILE 35 2HD1 ILE 35 -3.522 7.085 5.424 224 H ALA 36 H ALA 36 -8.070 4.496 4.612 225 HA ALA 36 HA ALA 36 -8.178 1.981 3.550 226 HB1 ALA 36 3HB ALA 36 -10.323 3.369 5.152 227 HB2 ALA 36 1HB ALA 36 -10.216 1.627 4.891 228 HB3 ALA 36 2HB ALA 36 -8.949 2.464 5.790 229 H ASP 37 H ASP 37 -10.492 4.615 2.971 230 HA ASP 37 HA ASP 37 -12.163 3.116 1.236 231 HB2 ASP 37 1HB ASP 37 -12.706 5.293 2.495 232 HB3 ASP 37 2HB ASP 37 -11.889 6.114 1.168 233 H TYR 38 H TYR 38 -9.142 4.675 0.813 234 HA TYR 38 HA TYR 38 -9.409 4.957 -2.059 235 HB2 TYR 38 1HB TYR 38 -8.083 6.542 -0.589 236 HB3 TYR 38 2HB TYR 38 -6.893 5.257 -0.417 237 HD1 TYR 38 HD1 TYR 38 -5.650 4.456 -2.427 238 HD2 TYR 38 HD2 TYR 38 -8.182 7.873 -2.556 239 HE1 TYR 38 HE1 TYR 38 -4.567 5.173 -4.516 240 HE2 TYR 38 HE2 TYR 38 -7.107 8.598 -4.645 241 HH TYR 38 HH TYR 38 -5.839 7.495 -6.543 242 H VAL 39 H VAL 39 -7.800 2.837 0.251 243 HA VAL 39 HA VAL 39 -6.480 1.303 -1.806 244 HB VAL 39 HB VAL 39 -6.795 0.710 1.140 245 HG11 VAL 39 1HG1 VAL 39 -5.066 -0.919 0.869 246 HG12 VAL 39 2HG1 VAL 39 -6.319 -1.258 -0.326 247 HG13 VAL 39 3HG1 VAL 39 -4.824 -0.460 -0.816 248 HG21 VAL 39 3HG2 VAL 39 -4.428 1.874 -0.322 249 HG22 VAL 39 1HG2 VAL 39 -5.584 2.816 0.619 250 HG23 VAL 39 2HG2 VAL 39 -4.579 1.604 1.414 251 H GLY 40 H GLY 40 -8.649 0.192 0.796 252 HA2 GLY 40 1HA GLY 40 -10.463 -1.229 0.734 253 HA3 GLY 40 2HA GLY 40 -10.517 -1.000 -1.007 254 H ASN 41 H ASN 41 -10.420 -2.886 -2.014 255 HA ASN 41 HA ASN 41 -9.931 -5.063 -2.491 256 HB2 ASN 41 1HB ASN 41 -7.169 -4.578 -1.418 257 HB3 ASN 41 2HB ASN 41 -7.663 -5.497 -2.837 258 HD21 ASN 41 1HD2 ASN 41 -6.321 -2.669 -1.785 259 HD22 ASN 41 2HD2 ASN 41 -6.549 -1.707 -3.201 260 H ALA 42 H ALA 42 -11.180 -4.836 -0.053 261 HA ALA 42 HA ALA 42 -11.709 -6.174 1.721 262 HB1 ALA 42 3HB ALA 42 -10.320 -7.873 0.086 263 HB2 ALA 42 1HB ALA 42 -9.414 -7.975 1.595 264 HB3 ALA 42 2HB ALA 42 -11.141 -8.333 1.577 265 H ARG 43 H ARG 43 -9.757 -3.912 1.771 266 HA ARG 43 HA ARG 43 -8.406 -4.603 4.298 267 HB2 ARG 43 1HB ARG 43 -7.509 -2.462 2.371 268 HB3 ARG 43 2HB ARG 43 -6.634 -3.094 3.760 269 HG2 ARG 43 1HG ARG 43 -7.333 -4.725 1.330 270 HG3 ARG 43 2HG ARG 43 -5.797 -3.886 1.555 271 HD2 ARG 43 1HD ARG 43 -5.319 -5.198 3.522 272 HD3 ARG 43 2HD ARG 43 -6.908 -5.959 3.441 273 HE ARG 43 HE ARG 43 -5.314 -6.345 1.080 274 HH11 ARG 43 1HH1 ARG 43 -6.056 -7.539 4.264 275 HH12 ARG 43 2HH1 ARG 43 -5.537 -9.156 3.921 276 HH21 ARG 43 1HH2 ARG 43 -4.627 -8.470 0.615 277 HH22 ARG 43 2HH2 ARG 43 -4.723 -9.684 1.846 278 H THR 44 H THR 44 -7.867 -2.472 5.544 279 HA THR 44 HA THR 44 -9.875 -0.404 5.293 280 HB THR 44 HB THR 44 -10.780 -0.663 7.548 281 HG1 THR 44 HG1 THR 44 -10.103 -2.230 8.886 282 HG21 THR 44 3HG2 THR 44 -12.080 -2.753 7.188 283 HG22 THR 44 1HG2 THR 44 -11.011 -3.144 5.842 284 HG23 THR 44 2HG2 THR 44 -12.031 -1.707 5.769 285 H LYS 45 H LYS 45 -9.673 0.940 7.566 286 HA LYS 45 HA LYS 45 -7.121 2.125 7.451 287 HB2 LYS 45 1HB LYS 45 -7.869 3.387 9.469 288 HB3 LYS 45 2HB LYS 45 -9.015 3.436 8.136 289 HG2 LYS 45 1HG LYS 45 -10.421 1.813 9.212 290 HG3 LYS 45 2HG LYS 45 -9.231 1.576 10.494 291 HD2 LYS 45 1HD LYS 45 -9.559 3.818 11.291 292 HD3 LYS 45 2HD LYS 45 -10.595 4.203 9.914 293 HE2 LYS 45 1HE LYS 45 -12.128 3.798 11.602 294 HE3 LYS 45 2HE LYS 45 -12.052 2.244 10.772 295 HZ1 LYS 45 3HZ LYS 45 -11.179 1.252 12.557 296 HZ2 LYS 45 1HZ LYS 45 -11.747 2.589 13.424 297 HZ3 LYS 45 2HZ LYS 45 -10.137 2.537 12.908 298 H GLU 46 H GLU 46 -8.571 -0.158 9.730 299 HA GLU 46 HA GLU 46 -6.408 -0.175 11.559 300 HB2 GLU 46 1HB GLU 46 -8.556 -2.233 11.022 301 HB3 GLU 46 2HB GLU 46 -7.431 -2.304 12.371 302 HG2 GLU 46 1HG GLU 46 -9.184 0.083 11.944 303 HG3 GLU 46 2HG GLU 46 -9.776 -1.355 12.775 304 H GLU 47 H GLU 47 -7.134 -2.004 8.652 305 HA GLU 47 HA GLU 47 -4.901 -3.805 9.039 306 HB2 GLU 47 1HB GLU 47 -6.997 -3.468 6.917 307 HB3 GLU 47 2HB GLU 47 -5.582 -4.467 6.618 308 HG2 GLU 47 1HG GLU 47 -7.023 -6.046 7.387 309 HG3 GLU 47 2HG GLU 47 -6.275 -5.557 8.906 310 H CYS 48 H CYS 48 -5.786 -1.652 6.335 311 HA CYS 48 HA CYS 48 -3.430 -1.572 4.992 312 HB2 CYS 48 1HB CYS 48 -5.326 0.723 5.514 313 HB3 CYS 48 2HB CYS 48 -4.039 0.767 4.316 314 HG CYS 48 HG CYS 48 -7.069 -0.214 3.898 315 H ARG 49 H ARG 49 -4.234 0.229 7.916 316 HA ARG 49 HA ARG 49 -2.020 1.918 8.025 317 HB2 ARG 49 1HB ARG 49 -3.790 2.325 9.544 318 HB3 ARG 49 2HB ARG 49 -3.726 0.687 10.180 319 HG2 ARG 49 1HG ARG 49 -1.809 1.116 11.430 320 HG3 ARG 49 2HG ARG 49 -1.410 2.557 10.493 321 HD2 ARG 49 1HD ARG 49 -3.166 3.798 11.485 322 HD3 ARG 49 2HD ARG 49 -3.888 2.350 12.184 323 HE ARG 49 HE ARG 49 -1.844 3.944 13.330 324 HH11 ARG 49 1HH1 ARG 49 -2.901 0.644 12.994 325 HH12 ARG 49 2HH1 ARG 49 -2.164 0.120 14.472 326 HH21 ARG 49 1HH2 ARG 49 -0.869 3.267 15.278 327 HH22 ARG 49 2HH2 ARG 49 -1.009 1.613 15.771 328 H ASP 50 H ASP 50 -2.379 -0.935 10.123 329 HA ASP 50 HA ASP 50 0.292 -1.159 10.822 330 HB2 ASP 50 1HB ASP 50 -1.907 -3.214 10.661 331 HB3 ASP 50 2HB ASP 50 -0.296 -3.617 11.248 332 H HIS 51 H HIS 51 -1.383 -2.343 7.984 333 HA HIS 51 HA HIS 51 0.474 -4.177 7.026 334 HB2 HIS 51 1HB HIS 51 -1.558 -4.132 5.871 335 HB3 HIS 51 2HB HIS 51 -1.521 -2.382 5.679 336 HD1 HIS 51 HD1 HIS 51 0.641 -5.296 4.502 337 HD2 HIS 51 HD2 HIS 51 -0.938 -1.702 3.140 338 HE1 HIS 51 HE1 HIS 51 1.372 -5.106 2.103 339 HE2 HIS 51 HE2 HIS 51 0.477 -2.884 1.325 340 H TYR 52 H TYR 52 0.405 -0.664 6.752 341 HA TYR 52 HA TYR 52 2.715 -0.578 5.030 342 HB2 TYR 52 1HB TYR 52 0.904 1.129 4.935 343 HB3 TYR 52 2HB TYR 52 1.380 1.679 6.537 344 HD1 TYR 52 HD2 TYR 52 3.909 2.363 6.774 345 HD2 TYR 52 HD1 TYR 52 1.808 2.174 3.079 346 HE1 TYR 52 HE2 TYR 52 5.557 3.885 5.766 347 HE2 TYR 52 HE1 TYR 52 3.451 3.695 2.060 348 HH TYR 52 HH TYR 52 5.388 4.765 2.335 349 H LEU 53 H LEU 53 2.016 -0.051 8.446 350 HA LEU 53 HA LEU 53 4.637 0.855 9.115 351 HB2 LEU 53 1HB LEU 53 2.422 -0.263 10.826 352 HB3 LEU 53 2HB LEU 53 3.907 0.449 11.454 353 HG LEU 53 HG LEU 53 2.062 2.024 9.688 354 HD11 LEU 53 1HD1 LEU 53 1.432 2.899 12.160 355 HD12 LEU 53 2HD1 LEU 53 1.633 1.175 12.472 356 HD13 LEU 53 3HD1 LEU 53 0.479 1.722 11.257 357 HD21 LEU 53 3HD2 LEU 53 4.280 2.609 11.612 358 HD22 LEU 53 1HD2 LEU 53 3.071 3.836 11.233 359 HD23 LEU 53 2HD2 LEU 53 4.069 3.156 9.948 360 H LYS 54 H LYS 54 3.458 -2.146 8.255 361 HA LYS 54 HA LYS 54 5.582 -3.542 9.744 362 HB2 LYS 54 1HB LYS 54 4.292 -5.473 9.787 363 HB3 LYS 54 2HB LYS 54 3.083 -4.212 9.989 364 HG2 LYS 54 1HG LYS 54 2.391 -4.398 7.723 365 HG3 LYS 54 2HG LYS 54 3.757 -5.446 7.331 366 HD2 LYS 54 1HD LYS 54 1.891 -6.311 9.480 367 HD3 LYS 54 2HD LYS 54 1.344 -6.424 7.806 368 HE2 LYS 54 1HE LYS 54 4.010 -7.514 8.631 369 HE3 LYS 54 2HE LYS 54 2.538 -8.453 8.874 370 HZ1 LYS 54 3HZ LYS 54 2.305 -8.822 6.679 371 HZ2 LYS 54 1HZ LYS 54 3.973 -8.543 6.647 372 HZ3 LYS 54 2HZ LYS 54 2.900 -7.304 6.229 373 H THR 55 H THR 55 4.167 -2.958 6.597 374 HA THR 55 HA THR 55 5.920 -4.794 5.230 375 HB THR 55 HB THR 55 4.021 -2.687 4.190 376 HG1 THR 55 HG1 THR 55 3.069 -4.840 3.429 377 HG21 THR 55 3HG2 THR 55 4.590 -4.509 2.153 378 HG22 THR 55 1HG2 THR 55 6.158 -4.094 2.845 379 HG23 THR 55 2HG2 THR 55 5.097 -2.822 2.239 380 H TYR 56 H TYR 56 5.634 -1.265 5.520 381 HA TYR 56 HA TYR 56 8.001 -0.789 3.963 382 HB2 TYR 56 1HB TYR 56 6.258 1.014 5.645 383 HB3 TYR 56 2HB TYR 56 7.674 1.589 4.771 384 HD1 TYR 56 HD1 TYR 56 4.743 -0.604 3.980 385 HD2 TYR 56 HD2 TYR 56 7.165 2.698 2.824 386 HE1 TYR 56 HE1 TYR 56 3.370 -0.312 1.960 387 HE2 TYR 56 HE2 TYR 56 5.798 3.000 0.802 388 HH TYR 56 HH TYR 56 4.282 1.393 -0.651 389 H ILE 57 H ILE 57 7.230 0.100 7.331 390 HA ILE 57 HA ILE 57 9.855 0.590 8.126 391 HB ILE 57 HB ILE 57 7.554 -0.362 9.836 392 HG12 ILE 57 1HG1 ILE 57 6.778 1.635 8.965 393 HG13 ILE 57 2HG1 ILE 57 7.637 2.209 10.390 394 HG21 ILE 57 1HG2 ILE 57 8.825 -0.126 11.660 395 HG22 ILE 57 2HG2 ILE 57 10.192 -0.227 10.552 396 HG23 ILE 57 3HG2 ILE 57 9.580 1.348 11.055 397 HD11 ILE 57 3HD1 ILE 57 9.610 2.632 8.914 398 HD12 ILE 57 1HD1 ILE 57 8.571 2.272 7.536 399 HD13 ILE 57 2HD1 ILE 57 8.199 3.638 8.588 400 H GLU 58 H GLU 58 7.896 -2.331 8.732 401 HA GLU 58 HA GLU 58 10.340 -3.789 9.408 402 HB2 GLU 58 1HB GLU 58 7.413 -4.339 9.813 403 HB3 GLU 58 2HB GLU 58 8.604 -5.621 9.974 404 HG2 GLU 58 1HG GLU 58 8.371 -3.111 11.605 405 HG3 GLU 58 2HG GLU 58 8.172 -4.778 12.143 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -4.178 -11.646 -16.434 2 HA2 GLY 1 1HA GLY 1 -3.516 -12.854 -14.480 3 HA3 GLY 1 2HA GLY 1 -3.194 -14.252 -15.495 4 H SER 2 H SER 2 -1.212 -14.487 -16.461 5 HA SER 2 HA SER 2 0.714 -12.404 -16.627 6 HB2 SER 2 1HB SER 2 2.250 -13.032 -14.922 7 HB3 SER 2 2HB SER 2 0.674 -12.937 -14.136 8 HG SER 2 HG SER 2 2.319 -15.091 -14.504 9 H SER 3 H SER 3 2.802 -13.181 -17.439 10 HA SER 3 HA SER 3 2.411 -15.347 -19.294 11 HB2 SER 3 1HB SER 3 3.608 -13.298 -19.963 12 HB3 SER 3 2HB SER 3 4.865 -13.648 -18.776 13 HG SER 3 HG SER 3 5.661 -14.513 -20.588 14 H GLY 4 H GLY 4 4.559 -14.708 -16.537 15 HA2 GLY 4 1HA GLY 4 4.573 -17.221 -15.452 16 HA3 GLY 4 2HA GLY 4 5.819 -17.282 -16.690 17 H SER 5 H SER 5 4.767 -15.306 -13.925 18 HA SER 5 HA SER 5 7.441 -15.308 -12.854 19 HB2 SER 5 1HB SER 5 6.216 -12.670 -13.695 20 HB3 SER 5 2HB SER 5 7.755 -12.889 -12.863 21 HG SER 5 HG SER 5 7.096 -13.295 -15.528 22 H SER 6 H SER 6 7.524 -13.966 -10.796 23 HA SER 6 HA SER 6 4.890 -13.934 -9.481 24 HB2 SER 6 1HB SER 6 5.833 -14.899 -7.485 25 HB3 SER 6 2HB SER 6 6.263 -15.940 -8.843 26 HG SER 6 HG SER 6 8.109 -13.987 -8.406 27 H GLY 7 H GLY 7 5.097 -12.752 -7.270 28 HA2 GLY 7 1HA GLY 7 6.474 -10.212 -7.828 29 HA3 GLY 7 2HA GLY 7 5.086 -10.409 -6.768 30 H PHE 8 H PHE 8 6.499 -9.097 -5.332 31 HA PHE 8 HA PHE 8 8.514 -10.749 -3.967 32 HB2 PHE 8 1HB PHE 8 9.085 -8.411 -2.930 33 HB3 PHE 8 2HB PHE 8 9.636 -8.810 -4.554 34 HD1 PHE 8 HD2 PHE 8 8.178 -8.031 -6.511 35 HD2 PHE 8 HD1 PHE 8 7.819 -6.506 -2.554 36 HE1 PHE 8 HE2 PHE 8 7.044 -6.032 -7.388 37 HE2 PHE 8 HE1 PHE 8 6.684 -4.504 -3.424 38 HZ PHE 8 HZ PHE 8 6.296 -4.264 -5.844 39 H ASP 9 H ASP 9 5.617 -8.826 -3.519 40 HA ASP 9 HA ASP 9 5.557 -9.573 -0.677 41 HB2 ASP 9 1HB ASP 9 4.303 -7.344 -2.244 42 HB3 ASP 9 2HB ASP 9 3.591 -7.854 -0.716 43 H GLU 10 H GLU 10 4.739 -11.628 -0.720 44 HA GLU 10 HA GLU 10 2.518 -12.379 -2.353 45 HB2 GLU 10 1HB GLU 10 3.765 -13.762 0.029 46 HB3 GLU 10 2HB GLU 10 2.566 -14.480 -1.038 47 HG2 GLU 10 1HG GLU 10 5.181 -13.443 -2.069 48 HG3 GLU 10 2HG GLU 10 5.007 -15.076 -1.429 49 H ASN 11 H ASN 11 2.679 -10.461 0.314 50 HA ASN 11 HA ASN 11 0.300 -11.399 1.661 51 HB2 ASN 11 1HB ASN 11 2.334 -10.186 2.717 52 HB3 ASN 11 2HB ASN 11 1.579 -8.715 2.110 53 HD21 ASN 11 1HD2 ASN 11 0.612 -11.674 3.820 54 HD22 ASN 11 2HD2 ASN 11 -0.368 -10.874 4.997 55 H TRP 12 H TRP 12 1.163 -8.322 0.070 56 HA TRP 12 HA TRP 12 -1.690 -7.934 -0.530 57 HB2 TRP 12 1HB TRP 12 0.593 -6.021 -0.131 58 HB3 TRP 12 2HB TRP 12 -0.851 -5.523 -1.009 59 HD1 TRP 12 HD1 TRP 12 -0.829 -7.718 2.170 60 HE1 TRP 12 HE1 TRP 12 -2.152 -6.485 4.002 61 HE3 TRP 12 HE3 TRP 12 -1.720 -3.325 -0.289 62 HZ2 TRP 12 HZ2 TRP 12 -3.407 -3.982 4.358 63 HZ3 TRP 12 HZ3 TRP 12 -2.990 -1.563 0.868 64 HH2 TRP 12 HH2 TRP 12 -3.816 -1.887 3.143 65 H GLY 13 H GLY 13 -2.109 -6.705 -2.608 66 HA2 GLY 13 1HA GLY 13 -0.508 -7.959 -4.734 67 HA3 GLY 13 2HA GLY 13 -2.169 -7.410 -4.898 68 H ALA 14 H ALA 14 -0.094 -6.765 -6.697 69 HA ALA 14 HA ALA 14 1.237 -4.390 -6.354 70 HB1 ALA 14 3HB ALA 14 1.811 -5.056 -8.402 71 HB2 ALA 14 1HB ALA 14 0.307 -5.953 -8.618 72 HB3 ALA 14 2HB ALA 14 0.361 -4.225 -8.967 73 H ASP 15 H ASP 15 -2.163 -4.873 -7.168 74 HA ASP 15 HA ASP 15 -2.802 -2.194 -7.734 75 HB2 ASP 15 1HB ASP 15 -4.388 -4.595 -6.897 76 HB3 ASP 15 2HB ASP 15 -5.164 -3.015 -6.945 77 H GLU 16 H GLU 16 -3.832 -3.960 -4.816 78 HA GLU 16 HA GLU 16 -4.439 -1.702 -3.308 79 HB2 GLU 16 1HB GLU 16 -4.383 -3.172 -1.357 80 HB3 GLU 16 2HB GLU 16 -5.185 -3.959 -2.709 81 HG2 GLU 16 1HG GLU 16 -3.157 -5.227 -3.183 82 HG3 GLU 16 2HG GLU 16 -2.344 -4.434 -1.835 83 H GLU 17 H GLU 17 -1.405 -2.918 -4.220 84 HA GLU 17 HA GLU 17 0.046 -1.803 -1.975 85 HB2 GLU 17 1HB GLU 17 0.772 -3.324 -4.440 86 HB3 GLU 17 2HB GLU 17 2.018 -2.377 -3.640 87 HG2 GLU 17 1HG GLU 17 1.170 -3.635 -1.506 88 HG3 GLU 17 2HG GLU 17 0.570 -4.795 -2.690 89 H LEU 18 H LEU 18 -0.573 -1.020 -5.358 90 HA LEU 18 HA LEU 18 1.178 1.220 -5.457 91 HB2 LEU 18 1HB LEU 18 0.738 0.515 -7.567 92 HB3 LEU 18 2HB LEU 18 -0.915 0.042 -7.180 93 HG LEU 18 HG LEU 18 -1.403 2.569 -7.126 94 HD11 LEU 18 1HD1 LEU 18 1.362 2.489 -8.192 95 HD12 LEU 18 2HD1 LEU 18 0.558 3.715 -7.213 96 HD13 LEU 18 3HD1 LEU 18 0.226 3.610 -8.941 97 HD21 LEU 18 3HD2 LEU 18 -0.719 1.782 -9.891 98 HD22 LEU 18 1HD2 LEU 18 -2.238 2.375 -9.219 99 HD23 LEU 18 2HD2 LEU 18 -1.774 0.688 -8.994 100 H LEU 19 H LEU 19 -2.334 0.894 -5.025 101 HA LEU 19 HA LEU 19 -2.965 3.605 -4.873 102 HB2 LEU 19 1HB LEU 19 -4.239 1.220 -3.548 103 HB3 LEU 19 2HB LEU 19 -4.937 2.839 -3.525 104 HG LEU 19 HG LEU 19 -4.431 1.194 -6.005 105 HD11 LEU 19 1HD1 LEU 19 -6.191 0.152 -4.816 106 HD12 LEU 19 2HD1 LEU 19 -6.950 1.143 -6.062 107 HD13 LEU 19 3HD1 LEU 19 -6.917 1.702 -4.390 108 HD21 LEU 19 3HD2 LEU 19 -4.927 3.984 -5.607 109 HD22 LEU 19 1HD2 LEU 19 -6.303 3.250 -6.431 110 HD23 LEU 19 2HD2 LEU 19 -4.684 3.098 -7.114 111 H LEU 20 H LEU 20 -2.412 1.339 -2.171 112 HA LEU 20 HA LEU 20 -2.643 2.881 0.002 113 HB2 LEU 20 1HB LEU 20 -1.914 0.623 0.212 114 HB3 LEU 20 2HB LEU 20 -0.409 0.969 -0.638 115 HG LEU 20 HG LEU 20 0.306 2.363 1.278 116 HD11 LEU 20 1HD1 LEU 20 -1.682 3.088 2.277 117 HD12 LEU 20 2HD1 LEU 20 -0.998 1.943 3.430 118 HD13 LEU 20 3HD1 LEU 20 -2.330 1.451 2.385 119 HD21 LEU 20 3HD2 LEU 20 -0.001 0.105 2.875 120 HD22 LEU 20 1HD2 LEU 20 1.338 0.460 1.783 121 HD23 LEU 20 2HD2 LEU 20 -0.027 -0.505 1.219 122 H ILE 21 H ILE 21 0.369 2.763 -1.906 123 HA ILE 21 HA ILE 21 1.672 4.827 -0.510 124 HB ILE 21 HB ILE 21 2.097 3.967 -3.374 125 HG12 ILE 21 1HG1 ILE 21 3.684 3.103 -0.962 126 HG13 ILE 21 2HG1 ILE 21 2.275 2.206 -1.516 127 HG21 ILE 21 1HG2 ILE 21 3.158 6.147 -2.007 128 HG22 ILE 21 2HG2 ILE 21 4.424 4.922 -1.959 129 HG23 ILE 21 3HG2 ILE 21 3.758 5.440 -3.507 130 HD11 ILE 21 3HD1 ILE 21 4.527 2.831 -3.379 131 HD12 ILE 21 1HD1 ILE 21 4.601 1.452 -2.283 132 HD13 ILE 21 2HD1 ILE 21 3.314 1.556 -3.484 133 H ASP 22 H ASP 22 -0.013 4.902 -3.650 134 HA ASP 22 HA ASP 22 0.262 7.541 -4.306 135 HB2 ASP 22 1HB ASP 22 -1.851 5.508 -4.799 136 HB3 ASP 22 2HB ASP 22 -2.255 7.186 -5.150 137 H ALA 23 H ALA 23 -2.029 6.134 -2.018 138 HA ALA 23 HA ALA 23 -3.385 8.597 -1.493 139 HB1 ALA 23 3HB ALA 23 -3.670 6.745 0.665 140 HB2 ALA 23 1HB ALA 23 -4.856 7.238 -0.543 141 HB3 ALA 23 2HB ALA 23 -3.777 5.881 -0.868 142 H CYS 24 H CYS 24 -0.992 6.668 0.303 143 HA CYS 24 HA CYS 24 -0.717 8.117 2.588 144 HB2 CYS 24 1HB CYS 24 1.512 6.917 0.932 145 HB3 CYS 24 2HB CYS 24 1.667 7.416 2.612 146 HG CYS 24 HG CYS 24 -0.600 5.562 3.213 147 H GLU 25 H GLU 25 0.631 8.903 -0.580 148 HA GLU 25 HA GLU 25 1.823 11.348 0.469 149 HB2 GLU 25 1HB GLU 25 1.885 10.064 -2.263 150 HB3 GLU 25 2HB GLU 25 2.630 11.615 -1.904 151 HG2 GLU 25 1HG GLU 25 3.391 8.895 -0.920 152 HG3 GLU 25 2HG GLU 25 4.377 10.086 -1.766 153 H THR 26 H THR 26 -0.871 10.278 -1.474 154 HA THR 26 HA THR 26 -1.554 12.911 -2.414 155 HB THR 26 HB THR 26 -3.026 10.277 -2.514 156 HG1 THR 26 HG1 THR 26 -1.863 10.104 -4.264 157 HG21 THR 26 3HG2 THR 26 -3.856 12.935 -3.684 158 HG22 THR 26 1HG2 THR 26 -4.667 12.082 -2.372 159 HG23 THR 26 2HG2 THR 26 -4.642 11.387 -3.993 160 H LEU 27 H LEU 27 -3.516 10.620 -0.515 161 HA LEU 27 HA LEU 27 -5.080 12.721 0.620 162 HB2 LEU 27 1HB LEU 27 -4.882 9.831 1.453 163 HB3 LEU 27 2HB LEU 27 -6.155 10.962 1.907 164 HG LEU 27 HG LEU 27 -5.618 9.968 -0.891 165 HD11 LEU 27 1HD1 LEU 27 -8.170 9.240 0.124 166 HD12 LEU 27 2HD1 LEU 27 -6.942 8.723 1.278 167 HD13 LEU 27 3HD1 LEU 27 -6.850 8.195 -0.402 168 HD21 LEU 27 3HD2 LEU 27 -7.673 11.826 0.275 169 HD22 LEU 27 1HD2 LEU 27 -7.918 10.982 -1.254 170 HD23 LEU 27 2HD2 LEU 27 -6.574 12.111 -1.075 171 H GLY 28 H GLY 28 -2.542 10.573 1.867 172 HA2 GLY 28 1HA GLY 28 -0.896 11.541 3.386 173 HA3 GLY 28 2HA GLY 28 -2.205 12.464 4.110 174 H LEU 29 H LEU 29 -0.200 10.407 5.129 175 HA LEU 29 HA LEU 29 -1.716 8.134 5.932 176 HB2 LEU 29 1HB LEU 29 0.908 9.300 6.799 177 HB3 LEU 29 2HB LEU 29 0.209 7.902 7.613 178 HG LEU 29 HG LEU 29 0.666 7.871 4.651 179 HD11 LEU 29 1HD1 LEU 29 2.732 6.770 6.480 180 HD12 LEU 29 2HD1 LEU 29 2.743 8.502 6.148 181 HD13 LEU 29 3HD1 LEU 29 2.879 7.349 4.821 182 HD21 LEU 29 3HD2 LEU 29 -0.701 6.117 5.749 183 HD22 LEU 29 1HD2 LEU 29 0.700 5.689 6.732 184 HD23 LEU 29 2HD2 LEU 29 0.758 5.490 4.980 185 H GLY 30 H GLY 30 -1.090 11.290 7.315 186 HA2 GLY 30 1HA GLY 30 -1.606 11.148 9.931 187 HA3 GLY 30 2HA GLY 30 -2.361 12.381 8.932 188 H ASN 31 H ASN 31 -4.005 10.540 7.429 189 HA ASN 31 HA ASN 31 -5.824 9.567 9.528 190 HB2 ASN 31 1HB ASN 31 -6.438 11.825 8.379 191 HB3 ASN 31 2HB ASN 31 -6.885 10.811 7.010 192 HD21 ASN 31 1HD2 ASN 31 -8.794 12.317 8.119 193 HD22 ASN 31 2HD2 ASN 31 -9.902 11.346 9.021 194 H TRP 32 H TRP 32 -5.544 7.415 9.268 195 HA TRP 32 HA TRP 32 -5.147 6.122 6.789 196 HB2 TRP 32 1HB TRP 32 -5.963 5.127 9.515 197 HB3 TRP 32 2HB TRP 32 -5.795 4.041 8.138 198 HD1 TRP 32 HD1 TRP 32 -3.831 5.557 10.878 199 HE1 TRP 32 HE1 TRP 32 -1.318 5.115 10.539 200 HE3 TRP 32 HE3 TRP 32 -3.942 3.912 6.039 201 HZ2 TRP 32 HZ2 TRP 32 0.391 4.191 8.490 202 HZ3 TRP 32 HZ3 TRP 32 -1.825 3.268 4.963 203 HH2 TRP 32 HH2 TRP 32 0.296 3.407 6.165 204 H ALA 33 H ALA 33 -8.017 6.877 8.663 205 HA ALA 33 HA ALA 33 -9.940 5.269 7.611 206 HB1 ALA 33 3HB ALA 33 -11.223 7.701 7.632 207 HB2 ALA 33 1HB ALA 33 -11.027 6.621 9.013 208 HB3 ALA 33 2HB ALA 33 -9.887 7.943 8.758 209 H ASP 34 H ASP 34 -8.530 8.130 6.083 210 HA ASP 34 HA ASP 34 -10.232 8.043 3.792 211 HB2 ASP 34 1HB ASP 34 -7.712 9.521 4.489 212 HB3 ASP 34 2HB ASP 34 -8.352 9.571 2.848 213 H ILE 35 H ILE 35 -6.882 7.044 4.417 214 HA ILE 35 HA ILE 35 -6.240 6.161 1.854 215 HB ILE 35 HB ILE 35 -5.281 5.079 4.505 216 HG12 ILE 35 1HG1 ILE 35 -3.932 7.031 2.633 217 HG13 ILE 35 2HG1 ILE 35 -4.901 7.527 4.017 218 HG21 ILE 35 1HG2 ILE 35 -4.159 3.529 3.386 219 HG22 ILE 35 2HG2 ILE 35 -4.860 4.099 1.872 220 HG23 ILE 35 3HG2 ILE 35 -3.346 4.789 2.457 221 HD11 ILE 35 3HD1 ILE 35 -3.336 6.838 5.530 222 HD12 ILE 35 1HD1 ILE 35 -2.663 5.620 4.448 223 HD13 ILE 35 2HD1 ILE 35 -2.301 7.326 4.189 224 H ALA 36 H ALA 36 -7.900 4.505 4.489 225 HA ALA 36 HA ALA 36 -7.932 1.919 3.445 226 HB1 ALA 36 3HB ALA 36 -8.657 2.689 5.751 227 HB2 ALA 36 1HB ALA 36 -10.203 3.109 5.013 228 HB3 ALA 36 2HB ALA 36 -9.640 1.437 4.992 229 H ASP 37 H ASP 37 -10.395 4.476 3.127 230 HA ASP 37 HA ASP 37 -12.085 3.026 1.400 231 HB2 ASP 37 1HB ASP 37 -12.603 5.154 2.746 232 HB3 ASP 37 2HB ASP 37 -11.864 6.030 1.408 233 H TYR 38 H TYR 38 -9.126 4.680 0.865 234 HA TYR 38 HA TYR 38 -9.551 4.995 -1.988 235 HB2 TYR 38 1HB TYR 38 -8.245 6.652 -0.640 236 HB3 TYR 38 2HB TYR 38 -7.014 5.418 -0.397 237 HD1 TYR 38 HD2 TYR 38 -8.573 7.673 -2.837 238 HD2 TYR 38 HD1 TYR 38 -5.520 4.781 -2.187 239 HE1 TYR 38 HE2 TYR 38 -7.503 8.337 -4.950 240 HE2 TYR 38 HE1 TYR 38 -4.441 5.438 -4.297 241 HH TYR 38 HH TYR 38 -5.166 6.520 -6.477 242 H VAL 39 H VAL 39 -7.857 2.860 0.220 243 HA VAL 39 HA VAL 39 -6.551 1.421 -1.933 244 HB VAL 39 HB VAL 39 -6.628 0.894 1.040 245 HG11 VAL 39 1HG1 VAL 39 -6.049 -1.189 0.436 246 HG12 VAL 39 2HG1 VAL 39 -5.637 -0.705 -1.211 247 HG13 VAL 39 3HG1 VAL 39 -4.475 -0.470 0.096 248 HG21 VAL 39 3HG2 VAL 39 -4.403 1.768 1.092 249 HG22 VAL 39 1HG2 VAL 39 -4.356 1.898 -0.666 250 HG23 VAL 39 2HG2 VAL 39 -5.424 2.946 0.267 251 H GLY 40 H GLY 40 -8.541 0.258 0.791 252 HA2 GLY 40 1HA GLY 40 -10.272 -1.257 0.849 253 HA3 GLY 40 2HA GLY 40 -10.464 -1.013 -0.880 254 H ASN 41 H ASN 41 -10.371 -2.884 -1.914 255 HA ASN 41 HA ASN 41 -9.765 -4.987 -2.538 256 HB2 ASN 41 1HB ASN 41 -7.045 -4.508 -1.358 257 HB3 ASN 41 2HB ASN 41 -7.478 -5.381 -2.825 258 HD21 ASN 41 1HD2 ASN 41 -6.631 -2.373 -1.455 259 HD22 ASN 41 2HD2 ASN 41 -6.674 -1.440 -2.908 260 H ALA 42 H ALA 42 -11.100 -4.914 -0.146 261 HA ALA 42 HA ALA 42 -11.661 -6.347 1.542 262 HB1 ALA 42 3HB ALA 42 -9.330 -8.098 1.414 263 HB2 ALA 42 1HB ALA 42 -11.048 -8.483 1.309 264 HB3 ALA 42 2HB ALA 42 -10.177 -7.935 -0.124 265 H ARG 43 H ARG 43 -9.753 -4.055 1.769 266 HA ARG 43 HA ARG 43 -8.499 -4.839 4.319 267 HB2 ARG 43 1HB ARG 43 -7.517 -2.601 2.556 268 HB3 ARG 43 2HB ARG 43 -6.692 -3.355 3.913 269 HG2 ARG 43 1HG ARG 43 -7.355 -4.804 1.363 270 HG3 ARG 43 2HG ARG 43 -5.824 -3.975 1.651 271 HD2 ARG 43 1HD ARG 43 -5.351 -5.409 3.531 272 HD3 ARG 43 2HD ARG 43 -6.936 -6.168 3.395 273 HE ARG 43 HE ARG 43 -5.367 -6.407 1.009 274 HH11 ARG 43 1HH1 ARG 43 -5.982 -7.768 4.154 275 HH12 ARG 43 2HH1 ARG 43 -5.423 -9.351 3.722 276 HH21 ARG 43 1HH2 ARG 43 -4.629 -8.486 0.428 277 HH22 ARG 43 2HH2 ARG 43 -4.652 -9.757 1.603 278 H THR 44 H THR 44 -7.886 -2.533 5.454 279 HA THR 44 HA THR 44 -9.896 -0.520 5.248 280 HB THR 44 HB THR 44 -11.235 -2.258 6.370 281 HG1 THR 44 HG1 THR 44 -12.000 -0.408 7.110 282 HG21 THR 44 3HG2 THR 44 -9.341 -1.994 8.698 283 HG22 THR 44 1HG2 THR 44 -9.246 -3.309 7.528 284 HG23 THR 44 2HG2 THR 44 -10.691 -3.113 8.520 285 H LYS 45 H LYS 45 -9.630 1.181 6.870 286 HA LYS 45 HA LYS 45 -7.110 2.105 7.195 287 HB2 LYS 45 1HB LYS 45 -7.945 3.461 9.097 288 HB3 LYS 45 2HB LYS 45 -9.031 3.477 7.714 289 HG2 LYS 45 1HG LYS 45 -10.461 1.830 8.813 290 HG3 LYS 45 2HG LYS 45 -9.369 1.811 10.201 291 HD2 LYS 45 1HD LYS 45 -9.876 4.075 10.731 292 HD3 LYS 45 2HD LYS 45 -10.735 4.306 9.207 293 HE2 LYS 45 1HE LYS 45 -12.400 2.628 9.946 294 HE3 LYS 45 2HE LYS 45 -11.566 2.525 11.496 295 HZ1 LYS 45 3HZ LYS 45 -12.232 5.214 10.730 296 HZ2 LYS 45 1HZ LYS 45 -12.498 4.410 12.194 297 HZ3 LYS 45 2HZ LYS 45 -13.590 4.223 10.916 298 H GLU 46 H GLU 46 -8.851 0.097 9.558 299 HA GLU 46 HA GLU 46 -6.914 -0.002 11.541 300 HB2 GLU 46 1HB GLU 46 -9.035 -1.946 10.673 301 HB3 GLU 46 2HB GLU 46 -7.934 -2.344 11.986 302 HG2 GLU 46 1HG GLU 46 -8.713 -0.542 13.308 303 HG3 GLU 46 2HG GLU 46 -9.602 0.153 11.954 304 H GLU 47 H GLU 47 -7.214 -1.908 8.589 305 HA GLU 47 HA GLU 47 -4.886 -3.508 9.253 306 HB2 GLU 47 1HB GLU 47 -6.595 -3.442 6.760 307 HB3 GLU 47 2HB GLU 47 -5.302 -4.593 7.070 308 HG2 GLU 47 1HG GLU 47 -7.656 -4.306 8.906 309 HG3 GLU 47 2HG GLU 47 -7.681 -5.365 7.497 310 H CYS 48 H CYS 48 -5.759 -1.564 6.391 311 HA CYS 48 HA CYS 48 -3.444 -1.340 5.086 312 HB2 CYS 48 1HB CYS 48 -5.356 0.906 5.736 313 HB3 CYS 48 2HB CYS 48 -4.053 1.058 4.563 314 HG CYS 48 HG CYS 48 -5.694 -1.632 3.779 315 H ARG 49 H ARG 49 -4.159 0.240 8.143 316 HA ARG 49 HA ARG 49 -1.916 1.928 8.262 317 HB2 ARG 49 1HB ARG 49 -3.728 2.289 9.782 318 HB3 ARG 49 2HB ARG 49 -3.588 0.661 10.430 319 HG2 ARG 49 1HG ARG 49 -1.307 1.300 11.266 320 HG3 ARG 49 2HG ARG 49 -1.693 2.961 10.811 321 HD2 ARG 49 1HD ARG 49 -3.646 1.485 12.494 322 HD3 ARG 49 2HD ARG 49 -2.148 2.027 13.250 323 HE ARG 49 HE ARG 49 -3.010 4.252 12.010 324 HH11 ARG 49 1HH1 ARG 49 -4.584 1.984 14.131 325 HH12 ARG 49 2HH1 ARG 49 -5.664 3.161 14.801 326 HH21 ARG 49 1HH2 ARG 49 -4.427 5.811 12.885 327 HH22 ARG 49 2HH2 ARG 49 -5.575 5.337 14.091 328 H ASP 50 H ASP 50 -2.344 -0.964 10.292 329 HA ASP 50 HA ASP 50 0.327 -1.279 10.960 330 HB2 ASP 50 1HB ASP 50 -2.026 -3.122 10.897 331 HB3 ASP 50 2HB ASP 50 -0.427 -3.800 11.189 332 H HIS 51 H HIS 51 -1.404 -2.320 8.106 333 HA HIS 51 HA HIS 51 0.408 -4.196 7.104 334 HB2 HIS 51 1HB HIS 51 -1.623 -4.149 5.971 335 HB3 HIS 51 2HB HIS 51 -1.629 -2.392 5.846 336 HD1 HIS 51 HD1 HIS 51 0.463 -5.265 4.469 337 HD2 HIS 51 HD2 HIS 51 -1.022 -1.547 3.358 338 HE1 HIS 51 HE1 HIS 51 1.156 -4.953 2.072 339 HE2 HIS 51 HE2 HIS 51 0.320 -2.661 1.447 340 H TYR 52 H TYR 52 0.243 -0.685 6.592 341 HA TYR 52 HA TYR 52 2.570 -0.624 4.929 342 HB2 TYR 52 1HB TYR 52 0.810 1.078 4.741 343 HB3 TYR 52 2HB TYR 52 1.151 1.621 6.380 344 HD1 TYR 52 HD2 TYR 52 3.690 2.298 6.786 345 HD2 TYR 52 HD1 TYR 52 1.767 2.239 2.992 346 HE1 TYR 52 HE2 TYR 52 5.367 3.874 5.919 347 HE2 TYR 52 HE1 TYR 52 3.439 3.814 2.113 348 HH TYR 52 HH TYR 52 5.712 4.544 2.596 349 H LEU 53 H LEU 53 1.973 -0.492 8.333 350 HA LEU 53 HA LEU 53 4.533 0.655 9.002 351 HB2 LEU 53 1HB LEU 53 2.343 -0.594 10.641 352 HB3 LEU 53 2HB LEU 53 3.852 -0.014 11.342 353 HG LEU 53 HG LEU 53 1.942 1.740 9.805 354 HD11 LEU 53 1HD1 LEU 53 1.520 2.613 12.214 355 HD12 LEU 53 2HD1 LEU 53 2.049 1.002 12.698 356 HD13 LEU 53 3HD1 LEU 53 0.653 1.189 11.637 357 HD21 LEU 53 3HD2 LEU 53 3.216 3.497 11.144 358 HD22 LEU 53 1HD2 LEU 53 4.070 2.729 9.805 359 HD23 LEU 53 2HD2 LEU 53 4.399 2.228 11.464 360 H LYS 54 H LYS 54 3.514 -2.355 8.003 361 HA LYS 54 HA LYS 54 5.723 -3.710 9.403 362 HB2 LYS 54 1HB LYS 54 4.560 -5.759 9.197 363 HB3 LYS 54 2HB LYS 54 3.358 -4.585 9.716 364 HG2 LYS 54 1HG LYS 54 2.234 -4.647 7.737 365 HG3 LYS 54 2HG LYS 54 3.678 -5.046 6.802 366 HD2 LYS 54 1HD LYS 54 3.614 -7.308 7.965 367 HD3 LYS 54 2HD LYS 54 1.992 -6.866 8.504 368 HE2 LYS 54 1HE LYS 54 2.632 -6.581 5.616 369 HE3 LYS 54 2HE LYS 54 2.412 -8.209 6.256 370 HZ1 LYS 54 3HZ LYS 54 0.237 -7.564 7.070 371 HZ2 LYS 54 1HZ LYS 54 0.343 -7.289 5.404 372 HZ3 LYS 54 2HZ LYS 54 0.449 -5.991 6.483 373 H THR 55 H THR 55 4.369 -2.867 6.321 374 HA THR 55 HA THR 55 6.220 -4.558 4.850 375 HB THR 55 HB THR 55 4.146 -2.577 3.894 376 HG1 THR 55 HG1 THR 55 3.366 -4.792 3.078 377 HG21 THR 55 3HG2 THR 55 4.979 -2.708 1.830 378 HG22 THR 55 1HG2 THR 55 5.041 -4.468 1.912 379 HG23 THR 55 2HG2 THR 55 6.396 -3.510 2.508 380 H TYR 56 H TYR 56 5.733 -1.149 5.594 381 HA TYR 56 HA TYR 56 8.046 -0.383 4.000 382 HB2 TYR 56 1HB TYR 56 6.144 1.273 5.669 383 HB3 TYR 56 2HB TYR 56 7.448 1.926 4.684 384 HD1 TYR 56 HD1 TYR 56 4.582 -0.446 4.258 385 HD2 TYR 56 HD2 TYR 56 6.826 2.789 2.645 386 HE1 TYR 56 HE1 TYR 56 3.070 -0.372 2.320 387 HE2 TYR 56 HE2 TYR 56 5.319 2.872 0.702 388 HH TYR 56 HH TYR 56 3.105 0.407 -0.013 389 H ILE 57 H ILE 57 7.001 0.276 7.349 390 HA ILE 57 HA ILE 57 9.579 0.979 8.256 391 HB ILE 57 HB ILE 57 7.221 0.002 9.872 392 HG12 ILE 57 1HG1 ILE 57 6.790 2.017 8.456 393 HG13 ILE 57 2HG1 ILE 57 6.662 2.328 10.184 394 HG21 ILE 57 1HG2 ILE 57 8.337 1.277 11.713 395 HG22 ILE 57 2HG2 ILE 57 9.197 -0.172 11.194 396 HG23 ILE 57 3HG2 ILE 57 9.755 1.418 10.673 397 HD11 ILE 57 3HD1 ILE 57 9.332 2.811 9.155 398 HD12 ILE 57 1HD1 ILE 57 8.101 3.801 8.373 399 HD13 ILE 57 2HD1 ILE 57 8.284 3.844 10.127 400 H GLU 58 H GLU 58 7.683 -2.003 8.725 401 HA GLU 58 HA GLU 58 10.068 -3.355 9.727 402 HB2 GLU 58 1HB GLU 58 7.600 -3.508 10.662 403 HB3 GLU 58 2HB GLU 58 7.439 -4.736 9.415 404 HG2 GLU 58 1HG GLU 58 8.014 -5.900 11.358 405 HG3 GLU 58 2HG GLU 58 9.498 -5.820 10.411 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.065 -10.246 -10.707 2 HA2 GLY 1 1HA GLY 1 -2.554 -11.301 -11.093 3 HA3 GLY 1 2HA GLY 1 -2.240 -9.978 -12.206 4 H SER 2 H SER 2 -1.588 -13.269 -11.416 5 HA SER 2 HA SER 2 -0.344 -13.633 -14.028 6 HB2 SER 2 1HB SER 2 1.522 -13.311 -12.403 7 HB3 SER 2 2HB SER 2 0.935 -14.710 -11.504 8 HG SER 2 HG SER 2 1.960 -14.637 -14.144 9 H SER 3 H SER 3 -0.471 -15.774 -14.825 10 HA SER 3 HA SER 3 -2.800 -17.129 -14.447 11 HB2 SER 3 1HB SER 3 -0.132 -18.343 -15.205 12 HB3 SER 3 2HB SER 3 -1.704 -19.096 -15.472 13 HG SER 3 HG SER 3 -0.440 -17.382 -17.035 14 H GLY 4 H GLY 4 -3.593 -17.727 -12.523 15 HA2 GLY 4 1HA GLY 4 -3.806 -19.369 -10.840 16 HA3 GLY 4 2HA GLY 4 -2.094 -19.729 -11.006 17 H SER 5 H SER 5 -1.141 -19.353 -9.121 18 HA SER 5 HA SER 5 -1.194 -16.703 -7.995 19 HB2 SER 5 1HB SER 5 -1.921 -17.443 -5.738 20 HB3 SER 5 2HB SER 5 -3.197 -17.609 -6.944 21 HG SER 5 HG SER 5 -1.536 -19.805 -6.540 22 H SER 6 H SER 6 0.586 -16.272 -6.738 23 HA SER 6 HA SER 6 2.832 -17.959 -7.056 24 HB2 SER 6 1HB SER 6 2.327 -15.466 -5.442 25 HB3 SER 6 2HB SER 6 3.869 -16.319 -5.356 26 HG SER 6 HG SER 6 4.336 -15.195 -7.067 27 H GLY 7 H GLY 7 0.866 -17.143 -4.202 28 HA2 GLY 7 1HA GLY 7 0.261 -18.874 -2.629 29 HA3 GLY 7 2HA GLY 7 1.793 -19.660 -2.979 30 H PHE 8 H PHE 8 0.554 -16.560 -1.733 31 HA PHE 8 HA PHE 8 2.475 -16.758 0.465 32 HB2 PHE 8 1HB PHE 8 2.310 -14.554 -1.554 33 HB3 PHE 8 2HB PHE 8 2.765 -14.170 0.103 34 HD1 PHE 8 HD2 PHE 8 4.738 -15.440 1.109 35 HD2 PHE 8 HD1 PHE 8 3.887 -15.352 -3.061 36 HE1 PHE 8 HE2 PHE 8 7.058 -16.101 0.625 37 HE2 PHE 8 HE1 PHE 8 6.205 -16.013 -3.551 38 HZ PHE 8 HZ PHE 8 7.795 -16.387 -1.707 39 H ASP 9 H ASP 9 1.751 -15.960 2.385 40 HA ASP 9 HA ASP 9 -1.065 -15.406 2.585 41 HB2 ASP 9 1HB ASP 9 1.079 -15.410 4.721 42 HB3 ASP 9 2HB ASP 9 -0.657 -15.350 5.011 43 H GLU 10 H GLU 10 -1.981 -13.536 3.607 44 HA GLU 10 HA GLU 10 -2.320 -11.258 3.368 45 HB2 GLU 10 1HB GLU 10 -1.128 -10.047 5.061 46 HB3 GLU 10 2HB GLU 10 -1.423 -11.672 5.664 47 HG2 GLU 10 1HG GLU 10 0.795 -12.280 5.511 48 HG3 GLU 10 2HG GLU 10 1.159 -11.041 4.310 49 H ASN 11 H ASN 11 -0.871 -12.248 1.140 50 HA ASN 11 HA ASN 11 1.279 -10.356 0.648 51 HB2 ASN 11 1HB ASN 11 1.831 -12.416 -0.270 52 HB3 ASN 11 2HB ASN 11 0.181 -12.741 -0.794 53 HD21 ASN 11 1HD2 ASN 11 0.084 -12.837 -2.909 54 HD22 ASN 11 2HD2 ASN 11 0.903 -11.796 -4.018 55 H TRP 12 H TRP 12 0.650 -8.342 0.194 56 HA TRP 12 HA TRP 12 -1.831 -7.701 -1.047 57 HB2 TRP 12 1HB TRP 12 0.600 -6.141 -0.246 58 HB3 TRP 12 2HB TRP 12 -0.621 -5.388 -1.267 59 HD1 TRP 12 HD1 TRP 12 -1.182 -7.692 1.802 60 HE1 TRP 12 HE1 TRP 12 -2.644 -6.415 3.493 61 HE3 TRP 12 HE3 TRP 12 -1.521 -3.213 -0.639 62 HZ2 TRP 12 HZ2 TRP 12 -3.790 -3.849 3.756 63 HZ3 TRP 12 HZ3 TRP 12 -2.820 -1.399 0.400 64 HH2 TRP 12 HH2 TRP 12 -3.930 -1.713 2.552 65 H GLY 13 H GLY 13 -2.281 -7.048 -3.127 66 HA2 GLY 13 1HA GLY 13 -0.358 -7.925 -5.137 67 HA3 GLY 13 2HA GLY 13 -2.048 -7.531 -5.415 68 H ALA 14 H ALA 14 0.422 -6.665 -6.812 69 HA ALA 14 HA ALA 14 1.413 -4.225 -6.429 70 HB1 ALA 14 3HB ALA 14 1.542 -5.711 -8.519 71 HB2 ALA 14 1HB ALA 14 0.153 -4.787 -9.092 72 HB3 ALA 14 2HB ALA 14 1.673 -3.965 -8.732 73 H ASP 15 H ASP 15 -1.930 -4.869 -7.334 74 HA ASP 15 HA ASP 15 -2.713 -2.212 -7.831 75 HB2 ASP 15 1HB ASP 15 -4.345 -4.564 -6.851 76 HB3 ASP 15 2HB ASP 15 -5.022 -3.047 -7.437 77 H GLU 16 H GLU 16 -3.691 -4.134 -4.994 78 HA GLU 16 HA GLU 16 -4.423 -1.935 -3.432 79 HB2 GLU 16 1HB GLU 16 -4.312 -3.509 -1.514 80 HB3 GLU 16 2HB GLU 16 -5.209 -4.149 -2.885 81 HG2 GLU 16 1HG GLU 16 -3.077 -5.336 -3.551 82 HG3 GLU 16 2HG GLU 16 -2.451 -4.892 -1.964 83 H GLU 17 H GLU 17 -1.341 -3.075 -4.278 84 HA GLU 17 HA GLU 17 0.004 -2.006 -1.943 85 HB2 GLU 17 1HB GLU 17 0.934 -3.365 -4.458 86 HB3 GLU 17 2HB GLU 17 2.074 -2.581 -3.374 87 HG2 GLU 17 1HG GLU 17 0.841 -4.054 -1.570 88 HG3 GLU 17 2HG GLU 17 0.464 -5.042 -2.981 89 H LEU 18 H LEU 18 -0.594 -1.123 -5.287 90 HA LEU 18 HA LEU 18 1.189 1.110 -5.303 91 HB2 LEU 18 1HB LEU 18 0.800 0.385 -7.432 92 HB3 LEU 18 2HB LEU 18 -0.890 0.004 -7.109 93 HG LEU 18 HG LEU 18 -1.199 2.577 -7.026 94 HD11 LEU 18 1HD1 LEU 18 0.358 3.807 -8.445 95 HD12 LEU 18 2HD1 LEU 18 1.364 2.367 -8.600 96 HD13 LEU 18 3HD1 LEU 18 1.173 3.143 -7.029 97 HD21 LEU 18 3HD2 LEU 18 -0.598 1.775 -9.796 98 HD22 LEU 18 1HD2 LEU 18 -2.086 2.407 -9.090 99 HD23 LEU 18 2HD2 LEU 18 -1.678 0.702 -8.904 100 H LEU 19 H LEU 19 -2.297 0.704 -4.836 101 HA LEU 19 HA LEU 19 -3.037 3.385 -4.740 102 HB2 LEU 19 1HB LEU 19 -4.163 1.032 -3.232 103 HB3 LEU 19 2HB LEU 19 -4.941 2.610 -3.348 104 HG LEU 19 HG LEU 19 -4.323 0.901 -5.750 105 HD11 LEU 19 1HD1 LEU 19 -6.633 0.850 -3.868 106 HD12 LEU 19 2HD1 LEU 19 -5.820 -0.479 -4.692 107 HD13 LEU 19 3HD1 LEU 19 -6.912 0.576 -5.588 108 HD21 LEU 19 3HD2 LEU 19 -6.459 2.439 -6.366 109 HD22 LEU 19 1HD2 LEU 19 -4.787 2.886 -6.703 110 HD23 LEU 19 2HD2 LEU 19 -5.593 3.510 -5.264 111 H LEU 20 H LEU 20 -1.967 1.251 -2.110 112 HA LEU 20 HA LEU 20 -2.278 2.878 0.064 113 HB2 LEU 20 1HB LEU 20 -1.354 0.521 -0.036 114 HB3 LEU 20 2HB LEU 20 0.209 1.250 -0.396 115 HG LEU 20 HG LEU 20 0.300 2.286 1.757 116 HD11 LEU 20 1HD1 LEU 20 -2.560 1.419 1.960 117 HD12 LEU 20 2HD1 LEU 20 -1.861 3.018 2.212 118 HD13 LEU 20 3HD1 LEU 20 -1.596 1.743 3.401 119 HD21 LEU 20 3HD2 LEU 20 0.605 -0.320 1.392 120 HD22 LEU 20 1HD2 LEU 20 -0.749 -0.384 2.520 121 HD23 LEU 20 2HD2 LEU 20 0.749 0.421 2.986 122 H ILE 21 H ILE 21 0.498 2.844 -2.158 123 HA ILE 21 HA ILE 21 1.953 4.887 -0.886 124 HB ILE 21 HB ILE 21 1.993 4.184 -3.822 125 HG12 ILE 21 1HG1 ILE 21 3.725 3.095 -1.595 126 HG13 ILE 21 2HG1 ILE 21 2.354 2.237 -2.290 127 HG21 ILE 21 1HG2 ILE 21 4.500 4.999 -2.661 128 HG22 ILE 21 2HG2 ILE 21 3.643 5.653 -4.056 129 HG23 ILE 21 3HG2 ILE 21 3.267 6.239 -2.435 130 HD11 ILE 21 3HD1 ILE 21 4.967 2.070 -3.115 131 HD12 ILE 21 1HD1 ILE 21 3.551 1.544 -4.025 132 HD13 ILE 21 2HD1 ILE 21 4.233 3.147 -4.303 133 H ASP 22 H ASP 22 0.085 5.098 -3.921 134 HA ASP 22 HA ASP 22 0.161 7.766 -4.390 135 HB2 ASP 22 1HB ASP 22 -1.139 5.842 -5.602 136 HB3 ASP 22 2HB ASP 22 -2.492 6.389 -4.615 137 H ALA 23 H ALA 23 -2.056 6.136 -2.150 138 HA ALA 23 HA ALA 23 -3.410 8.495 -1.344 139 HB1 ALA 23 3HB ALA 23 -3.959 6.946 0.698 140 HB2 ALA 23 1HB ALA 23 -4.648 6.617 -0.892 141 HB3 ALA 23 2HB ALA 23 -3.251 5.698 -0.327 142 H CYS 24 H CYS 24 -0.757 6.624 0.099 143 HA CYS 24 HA CYS 24 -0.419 7.986 2.464 144 HB2 CYS 24 1HB CYS 24 0.947 6.117 2.228 145 HB3 CYS 24 2HB CYS 24 1.496 6.596 0.626 146 HG CYS 24 HG CYS 24 3.242 8.543 1.499 147 H GLU 25 H GLU 25 0.718 8.882 -0.755 148 HA GLU 25 HA GLU 25 1.948 11.311 0.287 149 HB2 GLU 25 1HB GLU 25 1.848 10.102 -2.477 150 HB3 GLU 25 2HB GLU 25 2.585 11.660 -2.131 151 HG2 GLU 25 1HG GLU 25 3.422 9.109 -0.782 152 HG3 GLU 25 2HG GLU 25 4.156 9.710 -2.268 153 H THR 26 H THR 26 -0.901 10.257 -1.391 154 HA THR 26 HA THR 26 -1.665 12.901 -2.260 155 HB THR 26 HB THR 26 -3.074 10.237 -2.309 156 HG1 THR 26 HG1 THR 26 -1.690 10.378 -3.994 157 HG21 THR 26 3HG2 THR 26 -4.141 12.908 -3.231 158 HG22 THR 26 1HG2 THR 26 -4.769 11.942 -1.896 159 HG23 THR 26 2HG2 THR 26 -4.888 11.343 -3.551 160 H LEU 27 H LEU 27 -3.459 10.567 -0.251 161 HA LEU 27 HA LEU 27 -4.924 12.644 1.051 162 HB2 LEU 27 1HB LEU 27 -4.673 9.732 1.789 163 HB3 LEU 27 2HB LEU 27 -5.896 10.854 2.381 164 HG LEU 27 HG LEU 27 -5.602 9.928 -0.477 165 HD11 LEU 27 1HD1 LEU 27 -6.538 8.441 1.576 166 HD12 LEU 27 2HD1 LEU 27 -7.107 8.306 -0.088 167 HD13 LEU 27 3HD1 LEU 27 -8.010 9.275 1.077 168 HD21 LEU 27 3HD2 LEU 27 -7.642 11.690 0.875 169 HD22 LEU 27 1HD2 LEU 27 -7.820 11.011 -0.743 170 HD23 LEU 27 2HD2 LEU 27 -6.516 12.149 -0.404 171 H GLY 28 H GLY 28 -2.264 10.501 2.003 172 HA2 GLY 28 1HA GLY 28 -0.512 11.286 3.439 173 HA3 GLY 28 2HA GLY 28 -1.667 12.375 4.191 174 H LEU 29 H LEU 29 -0.047 9.457 4.477 175 HA LEU 29 HA LEU 29 -1.601 7.625 5.669 176 HB2 LEU 29 1HB LEU 29 1.060 8.628 6.660 177 HB3 LEU 29 2HB LEU 29 0.288 7.154 7.239 178 HG LEU 29 HG LEU 29 1.127 7.638 4.382 179 HD11 LEU 29 1HD1 LEU 29 3.075 6.444 4.768 180 HD12 LEU 29 2HD1 LEU 29 2.482 5.770 6.286 181 HD13 LEU 29 3HD1 LEU 29 2.952 7.467 6.200 182 HD21 LEU 29 3HD2 LEU 29 -0.084 5.840 3.918 183 HD22 LEU 29 1HD2 LEU 29 -0.574 5.706 5.607 184 HD23 LEU 29 2HD2 LEU 29 0.893 4.902 5.048 185 H GLY 30 H GLY 30 -0.794 10.758 6.996 186 HA2 GLY 30 1HA GLY 30 -1.297 10.641 9.633 187 HA3 GLY 30 2HA GLY 30 -1.936 11.939 8.635 188 H ASN 31 H ASN 31 -3.875 10.727 7.178 189 HA ASN 31 HA ASN 31 -5.759 9.842 9.260 190 HB2 ASN 31 1HB ASN 31 -6.025 11.637 6.906 191 HB3 ASN 31 2HB ASN 31 -7.407 10.613 7.287 192 HD21 ASN 31 1HD2 ASN 31 -8.524 10.929 9.202 193 HD22 ASN 31 2HD2 ASN 31 -8.339 12.360 10.152 194 H TRP 32 H TRP 32 -5.304 7.636 9.085 195 HA TRP 32 HA TRP 32 -5.207 6.195 6.673 196 HB2 TRP 32 1HB TRP 32 -5.866 5.317 9.489 197 HB3 TRP 32 2HB TRP 32 -5.668 4.199 8.142 198 HD1 TRP 32 HD1 TRP 32 -3.710 6.166 10.674 199 HE1 TRP 32 HE1 TRP 32 -1.195 5.722 10.356 200 HE3 TRP 32 HE3 TRP 32 -3.879 3.705 6.196 201 HZ2 TRP 32 HZ2 TRP 32 0.494 4.492 8.458 202 HZ3 TRP 32 HZ3 TRP 32 -1.769 2.928 5.197 203 HH2 TRP 32 HH2 TRP 32 0.371 3.315 6.306 204 H ALA 33 H ALA 33 -7.878 6.978 8.844 205 HA ALA 33 HA ALA 33 -9.903 5.392 8.008 206 HB1 ALA 33 3HB ALA 33 -11.422 7.378 8.355 207 HB2 ALA 33 1HB ALA 33 -10.342 6.989 9.694 208 HB3 ALA 33 2HB ALA 33 -9.965 8.336 8.619 209 H ASP 34 H ASP 34 -8.700 8.257 6.304 210 HA ASP 34 HA ASP 34 -10.603 8.072 4.182 211 HB2 ASP 34 1HB ASP 34 -7.994 9.580 4.420 212 HB3 ASP 34 2HB ASP 34 -9.093 9.729 3.052 213 H ILE 35 H ILE 35 -7.191 7.168 4.533 214 HA ILE 35 HA ILE 35 -6.706 6.297 1.940 215 HB ILE 35 HB ILE 35 -5.583 5.158 4.502 216 HG12 ILE 35 1HG1 ILE 35 -4.558 7.333 2.665 217 HG13 ILE 35 2HG1 ILE 35 -5.201 7.566 4.287 218 HG21 ILE 35 1HG2 ILE 35 -4.048 5.102 1.975 219 HG22 ILE 35 2HG2 ILE 35 -4.083 3.949 3.309 220 HG23 ILE 35 3HG2 ILE 35 -5.387 3.964 2.122 221 HD11 ILE 35 3HD1 ILE 35 -2.645 7.530 3.910 222 HD12 ILE 35 1HD1 ILE 35 -3.330 6.679 5.295 223 HD13 ILE 35 2HD1 ILE 35 -2.852 5.780 3.855 224 H ALA 36 H ALA 36 -8.095 4.545 4.684 225 HA ALA 36 HA ALA 36 -8.189 1.983 3.691 226 HB1 ALA 36 3HB ALA 36 -8.969 2.886 5.960 227 HB2 ALA 36 1HB ALA 36 -10.523 3.151 5.168 228 HB3 ALA 36 2HB ALA 36 -9.849 1.524 5.266 229 H ASP 37 H ASP 37 -10.375 4.672 2.998 230 HA ASP 37 HA ASP 37 -12.125 3.084 1.364 231 HB2 ASP 37 1HB ASP 37 -12.789 5.173 2.644 232 HB3 ASP 37 2HB ASP 37 -11.933 6.096 1.412 233 H TYR 38 H TYR 38 -9.121 4.582 0.903 234 HA TYR 38 HA TYR 38 -9.472 4.964 -1.960 235 HB2 TYR 38 1HB TYR 38 -8.147 6.561 -0.524 236 HB3 TYR 38 2HB TYR 38 -6.942 5.291 -0.340 237 HD1 TYR 38 HD1 TYR 38 -5.662 4.510 -2.322 238 HD2 TYR 38 HD2 TYR 38 -8.285 7.854 -2.522 239 HE1 TYR 38 HE1 TYR 38 -4.584 5.223 -4.415 240 HE2 TYR 38 HE2 TYR 38 -7.216 8.575 -4.616 241 HH TYR 38 HH TYR 38 -4.914 6.574 -6.288 242 H VAL 39 H VAL 39 -7.799 2.825 0.282 243 HA VAL 39 HA VAL 39 -6.526 1.337 -1.850 244 HB VAL 39 HB VAL 39 -6.656 0.778 1.117 245 HG11 VAL 39 1HG1 VAL 39 -6.032 -0.990 -0.917 246 HG12 VAL 39 2HG1 VAL 39 -4.460 -0.414 -0.358 247 HG13 VAL 39 3HG1 VAL 39 -5.588 -1.150 0.782 248 HG21 VAL 39 3HG2 VAL 39 -4.521 1.752 1.299 249 HG22 VAL 39 1HG2 VAL 39 -4.298 1.786 -0.450 250 HG23 VAL 39 2HG2 VAL 39 -5.457 2.875 0.313 251 H GLY 40 H GLY 40 -8.567 0.226 0.858 252 HA2 GLY 40 1HA GLY 40 -10.333 -1.250 0.902 253 HA3 GLY 40 2HA GLY 40 -10.491 -1.020 -0.833 254 H ASN 41 H ASN 41 -10.415 -2.902 -1.848 255 HA ASN 41 HA ASN 41 -9.895 -5.057 -2.380 256 HB2 ASN 41 1HB ASN 41 -7.107 -4.588 -1.384 257 HB3 ASN 41 2HB ASN 41 -7.646 -5.439 -2.829 258 HD21 ASN 41 1HD2 ASN 41 -6.213 -2.699 -1.725 259 HD22 ASN 41 2HD2 ASN 41 -6.504 -1.657 -3.072 260 H ALA 42 H ALA 42 -11.171 -5.078 -0.056 261 HA ALA 42 HA ALA 42 -11.606 -6.411 1.740 262 HB1 ALA 42 3HB ALA 42 -9.584 -7.910 0.252 263 HB2 ALA 42 1HB ALA 42 -9.647 -8.296 1.972 264 HB3 ALA 42 2HB ALA 42 -11.096 -8.453 0.977 265 H ARG 43 H ARG 43 -9.751 -4.066 1.824 266 HA ARG 43 HA ARG 43 -8.399 -4.733 4.357 267 HB2 ARG 43 1HB ARG 43 -7.502 -2.564 2.465 268 HB3 ARG 43 2HB ARG 43 -6.629 -3.235 3.836 269 HG2 ARG 43 1HG ARG 43 -7.324 -4.801 1.364 270 HG3 ARG 43 2HG ARG 43 -5.790 -3.963 1.609 271 HD2 ARG 43 1HD ARG 43 -5.264 -5.335 3.494 272 HD3 ARG 43 2HD ARG 43 -6.875 -6.051 3.488 273 HE ARG 43 HE ARG 43 -5.404 -6.466 1.051 274 HH11 ARG 43 1HH1 ARG 43 -6.052 -7.663 4.255 275 HH12 ARG 43 2HH1 ARG 43 -5.604 -9.294 3.878 276 HH21 ARG 43 1HH2 ARG 43 -4.811 -8.609 0.542 277 HH22 ARG 43 2HH2 ARG 43 -4.898 -9.830 1.765 278 H THR 44 H THR 44 -7.877 -2.539 5.553 279 HA THR 44 HA THR 44 -9.852 -0.476 5.270 280 HB THR 44 HB THR 44 -11.281 -2.059 6.386 281 HG1 THR 44 HG1 THR 44 -10.501 -0.444 8.546 282 HG21 THR 44 3HG2 THR 44 -8.857 -2.568 7.989 283 HG22 THR 44 1HG2 THR 44 -10.152 -3.666 7.513 284 HG23 THR 44 2HG2 THR 44 -10.379 -2.574 8.879 285 H LYS 45 H LYS 45 -9.694 1.107 7.152 286 HA LYS 45 HA LYS 45 -7.195 2.159 7.386 287 HB2 LYS 45 1HB LYS 45 -8.013 3.304 9.457 288 HB3 LYS 45 2HB LYS 45 -9.103 3.430 8.083 289 HG2 LYS 45 1HG LYS 45 -10.372 1.484 9.066 290 HG3 LYS 45 2HG LYS 45 -9.389 1.693 10.517 291 HD2 LYS 45 1HD LYS 45 -10.325 3.759 11.006 292 HD3 LYS 45 2HD LYS 45 -10.857 4.023 9.344 293 HE2 LYS 45 1HE LYS 45 -12.853 3.518 10.358 294 HE3 LYS 45 2HE LYS 45 -12.347 1.919 9.815 295 HZ1 LYS 45 3HZ LYS 45 -12.262 3.042 12.545 296 HZ2 LYS 45 1HZ LYS 45 -11.306 1.715 12.114 297 HZ3 LYS 45 2HZ LYS 45 -12.991 1.611 12.013 298 H GLU 46 H GLU 46 -8.697 -0.176 9.591 299 HA GLU 46 HA GLU 46 -6.672 -0.278 11.508 300 HB2 GLU 46 1HB GLU 46 -8.626 -2.384 10.584 301 HB3 GLU 46 2HB GLU 46 -7.551 -2.607 11.957 302 HG2 GLU 46 1HG GLU 46 -9.602 -0.419 11.711 303 HG3 GLU 46 2HG GLU 46 -9.820 -1.921 12.607 304 H GLU 47 H GLU 47 -7.039 -2.022 8.460 305 HA GLU 47 HA GLU 47 -4.592 -3.517 8.892 306 HB2 GLU 47 1HB GLU 47 -6.572 -3.412 6.620 307 HB3 GLU 47 2HB GLU 47 -5.085 -4.347 6.539 308 HG2 GLU 47 1HG GLU 47 -7.358 -5.428 7.297 309 HG3 GLU 47 2HG GLU 47 -5.820 -5.916 8.005 310 H CYS 48 H CYS 48 -5.717 -1.456 6.205 311 HA CYS 48 HA CYS 48 -3.439 -1.026 4.848 312 HB2 CYS 48 1HB CYS 48 -5.601 0.947 5.563 313 HB3 CYS 48 2HB CYS 48 -4.280 1.371 4.480 314 HG CYS 48 HG CYS 48 -5.035 -0.054 2.390 315 H ARG 49 H ARG 49 -4.208 0.302 7.993 316 HA ARG 49 HA ARG 49 -2.060 2.168 8.086 317 HB2 ARG 49 1HB ARG 49 -3.964 2.485 9.530 318 HB3 ARG 49 2HB ARG 49 -3.726 0.905 10.266 319 HG2 ARG 49 1HG ARG 49 -1.733 1.625 11.351 320 HG3 ARG 49 2HG ARG 49 -1.727 3.144 10.452 321 HD2 ARG 49 1HD ARG 49 -4.117 3.384 11.564 322 HD3 ARG 49 2HD ARG 49 -3.405 2.296 12.755 323 HE ARG 49 HE ARG 49 -1.686 4.490 12.193 324 HH11 ARG 49 1HH1 ARG 49 -4.554 3.583 13.945 325 HH12 ARG 49 2HH1 ARG 49 -4.361 4.809 15.154 326 HH21 ARG 49 1HH2 ARG 49 -1.420 6.108 13.779 327 HH22 ARG 49 2HH2 ARG 49 -2.578 6.245 15.058 328 H ASP 50 H ASP 50 -2.516 -0.857 9.925 329 HA ASP 50 HA ASP 50 0.149 -1.034 10.793 330 HB2 ASP 50 1HB ASP 50 -1.649 -2.254 11.900 331 HB3 ASP 50 2HB ASP 50 -1.915 -3.219 10.451 332 H HIS 51 H HIS 51 -1.513 -2.787 8.173 333 HA HIS 51 HA HIS 51 0.416 -4.380 7.183 334 HB2 HIS 51 1HB HIS 51 -1.736 -4.264 6.109 335 HB3 HIS 51 2HB HIS 51 -1.450 -2.601 5.604 336 HD1 HIS 51 HD1 HIS 51 0.025 -6.051 4.987 337 HD2 HIS 51 HD2 HIS 51 -0.457 -2.385 3.093 338 HE1 HIS 51 HE1 HIS 51 0.886 -6.384 2.648 339 HE2 HIS 51 HE2 HIS 51 0.663 -4.130 1.547 340 H TYR 52 H TYR 52 0.240 -0.881 6.725 341 HA TYR 52 HA TYR 52 2.536 -0.767 5.018 342 HB2 TYR 52 1HB TYR 52 0.776 0.943 4.916 343 HB3 TYR 52 2HB TYR 52 1.144 1.430 6.567 344 HD1 TYR 52 HD2 TYR 52 3.732 2.033 6.931 345 HD2 TYR 52 HD1 TYR 52 1.667 2.216 3.216 346 HE1 TYR 52 HE2 TYR 52 5.398 3.636 6.091 347 HE2 TYR 52 HE1 TYR 52 3.328 3.818 2.365 348 HH TYR 52 HH TYR 52 5.016 5.221 2.978 349 H LEU 53 H LEU 53 1.927 -0.245 8.456 350 HA LEU 53 HA LEU 53 4.522 0.701 9.092 351 HB2 LEU 53 1HB LEU 53 2.392 -0.592 10.784 352 HB3 LEU 53 2HB LEU 53 3.883 0.088 11.433 353 HG LEU 53 HG LEU 53 1.909 1.728 9.863 354 HD11 LEU 53 1HD1 LEU 53 1.832 0.843 12.686 355 HD12 LEU 53 2HD1 LEU 53 0.516 1.260 11.590 356 HD13 LEU 53 3HD1 LEU 53 1.460 2.536 12.360 357 HD21 LEU 53 3HD2 LEU 53 3.383 3.114 11.879 358 HD22 LEU 53 1HD2 LEU 53 3.390 3.356 10.132 359 HD23 LEU 53 2HD2 LEU 53 4.501 2.200 10.866 360 H LYS 54 H LYS 54 3.501 -2.300 8.083 361 HA LYS 54 HA LYS 54 5.764 -3.640 9.414 362 HB2 LYS 54 1HB LYS 54 4.591 -5.679 9.374 363 HB3 LYS 54 2HB LYS 54 3.397 -4.489 9.877 364 HG2 LYS 54 1HG LYS 54 2.247 -4.601 7.888 365 HG3 LYS 54 2HG LYS 54 3.650 -5.181 6.987 366 HD2 LYS 54 1HD LYS 54 2.047 -6.974 7.236 367 HD3 LYS 54 2HD LYS 54 3.488 -7.334 8.190 368 HE2 LYS 54 1HE LYS 54 1.798 -7.860 9.670 369 HE3 LYS 54 2HE LYS 54 2.166 -6.196 10.120 370 HZ1 LYS 54 3HZ LYS 54 -0.069 -7.087 8.378 371 HZ2 LYS 54 1HZ LYS 54 0.303 -5.474 8.728 372 HZ3 LYS 54 2HZ LYS 54 -0.203 -6.511 9.964 373 H THR 55 H THR 55 4.230 -2.849 6.409 374 HA THR 55 HA THR 55 5.984 -4.583 4.865 375 HB THR 55 HB THR 55 3.858 -2.626 3.971 376 HG1 THR 55 HG1 THR 55 3.190 -4.618 5.061 377 HG21 THR 55 3HG2 THR 55 5.202 -4.720 2.277 378 HG22 THR 55 1HG2 THR 55 5.779 -3.056 2.353 379 HG23 THR 55 2HG2 THR 55 4.154 -3.399 1.759 380 H TYR 56 H TYR 56 5.254 -1.092 4.990 381 HA TYR 56 HA TYR 56 7.458 -0.347 3.371 382 HB2 TYR 56 1HB TYR 56 5.687 1.207 5.254 383 HB3 TYR 56 2HB TYR 56 6.983 1.965 4.335 384 HD1 TYR 56 HD1 TYR 56 4.046 -0.282 3.771 385 HD2 TYR 56 HD2 TYR 56 6.442 2.914 2.304 386 HE1 TYR 56 HE1 TYR 56 2.530 -0.036 1.850 387 HE2 TYR 56 HE2 TYR 56 4.931 3.170 0.380 388 HH TYR 56 HH TYR 56 2.197 0.971 -0.116 389 H ILE 57 H ILE 57 6.983 -0.618 6.850 390 HA ILE 57 HA ILE 57 9.587 0.472 7.460 391 HB ILE 57 HB ILE 57 7.485 -0.832 9.185 392 HG12 ILE 57 1HG1 ILE 57 7.013 1.347 9.969 393 HG13 ILE 57 2HG1 ILE 57 8.507 1.999 9.306 394 HG21 ILE 57 1HG2 ILE 57 9.323 -1.388 10.420 395 HG22 ILE 57 2HG2 ILE 57 10.285 -0.049 9.797 396 HG23 ILE 57 3HG2 ILE 57 9.047 0.248 11.017 397 HD11 ILE 57 3HD1 ILE 57 6.235 0.970 7.630 398 HD12 ILE 57 1HD1 ILE 57 6.452 2.661 8.079 399 HD13 ILE 57 2HD1 ILE 57 7.661 1.851 7.082 400 H GLU 58 H GLU 58 8.065 -2.692 8.119 401 HA GLU 58 HA GLU 58 10.702 -3.906 8.333 402 HB2 GLU 58 1HB GLU 58 7.913 -4.779 8.986 403 HB3 GLU 58 2HB GLU 58 9.175 -5.988 8.790 404 HG2 GLU 58 1HG GLU 58 10.479 -4.953 10.549 405 HG3 GLU 58 2HG GLU 58 9.273 -3.679 10.718 Start of MODEL 18 1 H1 GLY 1 H GLY 1 10.894 -7.703 7.460 2 HA2 GLY 1 1HA GLY 1 11.147 -6.009 5.249 3 HA3 GLY 1 2HA GLY 1 12.743 -6.653 5.606 4 H SER 2 H SER 2 13.225 -8.744 5.092 5 HA SER 2 HA SER 2 11.065 -10.399 3.982 6 HB2 SER 2 1HB SER 2 13.770 -9.987 2.684 7 HB3 SER 2 2HB SER 2 12.489 -11.048 2.098 8 HG SER 2 HG SER 2 12.829 -8.464 1.607 9 H SER 3 H SER 3 11.278 -11.400 6.117 10 HA SER 3 HA SER 3 13.626 -12.650 7.015 11 HB2 SER 3 1HB SER 3 12.079 -14.031 8.421 12 HB3 SER 3 2HB SER 3 11.782 -12.296 8.536 13 HG SER 3 HG SER 3 10.214 -14.304 7.435 14 H GLY 4 H GLY 4 10.781 -14.141 5.449 15 HA2 GLY 4 1HA GLY 4 11.121 -15.632 3.552 16 HA3 GLY 4 2HA GLY 4 12.613 -16.160 4.316 17 H SER 5 H SER 5 9.091 -16.171 4.675 18 HA SER 5 HA SER 5 9.296 -18.841 5.863 19 HB2 SER 5 1HB SER 5 7.681 -16.558 7.021 20 HB3 SER 5 2HB SER 5 7.545 -18.239 7.535 21 HG SER 5 HG SER 5 9.961 -16.753 7.592 22 H SER 6 H SER 6 8.053 -20.207 4.782 23 HA SER 6 HA SER 6 5.800 -19.133 3.226 24 HB2 SER 6 1HB SER 6 7.649 -21.458 2.835 25 HB3 SER 6 2HB SER 6 6.036 -21.511 2.123 26 HG SER 6 HG SER 6 6.682 -20.160 0.658 27 H GLY 7 H GLY 7 4.198 -19.148 4.788 28 HA2 GLY 7 1HA GLY 7 3.156 -21.806 5.424 29 HA3 GLY 7 2HA GLY 7 3.500 -20.735 6.774 30 H PHE 8 H PHE 8 2.488 -18.483 6.522 31 HA PHE 8 HA PHE 8 0.017 -18.406 5.027 32 HB2 PHE 8 1HB PHE 8 -1.475 -18.233 6.889 33 HB3 PHE 8 2HB PHE 8 -0.522 -19.694 7.126 34 HD1 PHE 8 HD2 PHE 8 1.413 -19.627 8.733 35 HD2 PHE 8 HD1 PHE 8 -1.485 -16.520 8.484 36 HE1 PHE 8 HE2 PHE 8 2.080 -18.831 10.963 37 HE2 PHE 8 HE1 PHE 8 -0.822 -15.718 10.713 38 HZ PHE 8 HZ PHE 8 0.962 -16.874 11.957 39 H ASP 9 H ASP 9 -0.097 -16.419 4.247 40 HA ASP 9 HA ASP 9 0.341 -14.127 5.961 41 HB2 ASP 9 1HB ASP 9 2.209 -14.885 3.754 42 HB3 ASP 9 2HB ASP 9 1.869 -13.178 4.023 43 H GLU 10 H GLU 10 -0.044 -12.048 4.675 44 HA GLU 10 HA GLU 10 -2.200 -12.542 2.728 45 HB2 GLU 10 1HB GLU 10 -1.883 -10.394 4.818 46 HB3 GLU 10 2HB GLU 10 -3.024 -10.248 3.489 47 HG2 GLU 10 1HG GLU 10 -4.115 -12.325 4.230 48 HG3 GLU 10 2HG GLU 10 -3.004 -12.396 5.596 49 H ASN 11 H ASN 11 0.485 -12.391 1.919 50 HA ASN 11 HA ASN 11 1.699 -10.140 1.188 51 HB2 ASN 11 1HB ASN 11 1.074 -12.507 -0.579 52 HB3 ASN 11 2HB ASN 11 2.159 -11.212 -1.075 53 HD21 ASN 11 1HD2 ASN 11 1.627 -13.695 1.355 54 HD22 ASN 11 2HD2 ASN 11 3.290 -13.897 1.777 55 H TRP 12 H TRP 12 0.821 -8.237 0.693 56 HA TRP 12 HA TRP 12 -1.651 -7.858 -0.583 57 HB2 TRP 12 1HB TRP 12 0.697 -6.059 -0.047 58 HB3 TRP 12 2HB TRP 12 -0.686 -5.483 -0.974 59 HD1 TRP 12 HD1 TRP 12 -0.807 -7.693 2.202 60 HE1 TRP 12 HE1 TRP 12 -2.184 -6.448 3.985 61 HE3 TRP 12 HE3 TRP 12 -1.608 -3.311 -0.305 62 HZ2 TRP 12 HZ2 TRP 12 -3.443 -3.940 4.288 63 HZ3 TRP 12 HZ3 TRP 12 -2.910 -1.540 0.801 64 HH2 TRP 12 HH2 TRP 12 -3.808 -1.850 3.051 65 H GLY 13 H GLY 13 -2.172 -7.151 -2.682 66 HA2 GLY 13 1HA GLY 13 -0.462 -8.273 -4.731 67 HA3 GLY 13 2HA GLY 13 -2.068 -7.599 -4.963 68 H ALA 14 H ALA 14 -0.292 -6.996 -6.843 69 HA ALA 14 HA ALA 14 1.364 -4.777 -6.426 70 HB1 ALA 14 3HB ALA 14 0.116 -6.055 -8.798 71 HB2 ALA 14 1HB ALA 14 0.789 -4.435 -8.987 72 HB3 ALA 14 2HB ALA 14 1.816 -5.758 -8.432 73 H ASP 15 H ASP 15 -2.051 -4.986 -7.323 74 HA ASP 15 HA ASP 15 -2.463 -2.247 -7.814 75 HB2 ASP 15 1HB ASP 15 -4.392 -4.386 -6.893 76 HB3 ASP 15 2HB ASP 15 -4.875 -2.776 -7.420 77 H GLU 16 H GLU 16 -3.717 -4.037 -4.999 78 HA GLU 16 HA GLU 16 -4.285 -1.852 -3.415 79 HB2 GLU 16 1HB GLU 16 -4.317 -3.354 -1.535 80 HB3 GLU 16 2HB GLU 16 -4.953 -4.202 -2.937 81 HG2 GLU 16 1HG GLU 16 -2.805 -5.318 -3.242 82 HG3 GLU 16 2HG GLU 16 -2.164 -4.466 -1.839 83 H GLU 17 H GLU 17 -1.226 -3.096 -4.287 84 HA GLU 17 HA GLU 17 0.196 -1.988 -2.030 85 HB2 GLU 17 1HB GLU 17 0.969 -3.440 -4.529 86 HB3 GLU 17 2HB GLU 17 2.195 -2.535 -3.651 87 HG2 GLU 17 1HG GLU 17 0.459 -4.608 -2.347 88 HG3 GLU 17 2HG GLU 17 2.004 -4.986 -3.105 89 H LEU 18 H LEU 18 -0.666 -1.030 -5.265 90 HA LEU 18 HA LEU 18 1.166 1.192 -5.352 91 HB2 LEU 18 1HB LEU 18 0.764 0.545 -7.485 92 HB3 LEU 18 2HB LEU 18 -0.876 0.009 -7.128 93 HG LEU 18 HG LEU 18 -1.436 2.524 -7.004 94 HD11 LEU 18 1HD1 LEU 18 1.351 2.619 -7.673 95 HD12 LEU 18 2HD1 LEU 18 0.243 3.940 -7.305 96 HD13 LEU 18 3HD1 LEU 18 0.393 3.351 -8.960 97 HD21 LEU 18 3HD2 LEU 18 -2.283 2.338 -9.089 98 HD22 LEU 18 1HD2 LEU 18 -1.736 0.670 -8.925 99 HD23 LEU 18 2HD2 LEU 18 -0.742 1.842 -9.790 100 H LEU 19 H LEU 19 -2.348 0.799 -4.985 101 HA LEU 19 HA LEU 19 -3.098 3.448 -4.813 102 HB2 LEU 19 1HB LEU 19 -4.162 0.982 -3.474 103 HB3 LEU 19 2HB LEU 19 -4.908 2.560 -3.230 104 HG LEU 19 HG LEU 19 -5.940 0.999 -4.973 105 HD11 LEU 19 1HD1 LEU 19 -5.320 3.878 -5.198 106 HD12 LEU 19 2HD1 LEU 19 -6.875 3.050 -5.128 107 HD13 LEU 19 3HD1 LEU 19 -5.967 3.091 -6.638 108 HD21 LEU 19 3HD2 LEU 19 -3.977 0.239 -6.102 109 HD22 LEU 19 1HD2 LEU 19 -3.466 1.893 -6.442 110 HD23 LEU 19 2HD2 LEU 19 -4.898 1.232 -7.232 111 H LEU 20 H LEU 20 -2.258 1.311 -2.082 112 HA LEU 20 HA LEU 20 -2.480 2.939 0.046 113 HB2 LEU 20 1HB LEU 20 -1.595 0.621 0.069 114 HB3 LEU 20 2HB LEU 20 -0.043 1.246 -0.485 115 HG LEU 20 HG LEU 20 0.173 2.524 1.602 116 HD11 LEU 20 1HD1 LEU 20 -1.441 1.773 3.462 117 HD12 LEU 20 2HD1 LEU 20 -2.518 1.326 2.139 118 HD13 LEU 20 3HD1 LEU 20 -1.986 2.998 2.315 119 HD21 LEU 20 3HD2 LEU 20 -0.104 0.186 3.038 120 HD22 LEU 20 1HD2 LEU 20 1.317 0.680 2.116 121 HD23 LEU 20 2HD2 LEU 20 0.110 -0.374 1.379 122 H ILE 21 H ILE 21 0.406 2.862 -2.045 123 HA ILE 21 HA ILE 21 1.794 4.941 -0.798 124 HB ILE 21 HB ILE 21 1.873 4.107 -3.700 125 HG12 ILE 21 1HG1 ILE 21 3.954 3.418 -1.663 126 HG13 ILE 21 2HG1 ILE 21 2.460 2.488 -1.702 127 HG21 ILE 21 1HG2 ILE 21 3.346 5.722 -4.083 128 HG22 ILE 21 2HG2 ILE 21 3.008 6.362 -2.475 129 HG23 ILE 21 3HG2 ILE 21 4.324 5.212 -2.707 130 HD11 ILE 21 3HD1 ILE 21 4.259 2.883 -4.078 131 HD12 ILE 21 1HD1 ILE 21 4.331 1.494 -2.994 132 HD13 ILE 21 2HD1 ILE 21 2.877 1.795 -3.946 133 H ASP 22 H ASP 22 0.025 5.146 -3.892 134 HA ASP 22 HA ASP 22 0.083 7.794 -4.383 135 HB2 ASP 22 1HB ASP 22 -1.251 5.831 -5.534 136 HB3 ASP 22 2HB ASP 22 -2.593 6.477 -4.594 137 H ALA 23 H ALA 23 -2.107 6.210 -2.090 138 HA ALA 23 HA ALA 23 -3.452 8.599 -1.329 139 HB1 ALA 23 3HB ALA 23 -3.602 6.704 0.769 140 HB2 ALA 23 1HB ALA 23 -4.826 7.107 -0.436 141 HB3 ALA 23 2HB ALA 23 -3.661 5.822 -0.757 142 H CYS 24 H CYS 24 -0.846 6.694 0.158 143 HA CYS 24 HA CYS 24 -0.484 8.044 2.510 144 HB2 CYS 24 1HB CYS 24 0.897 6.191 2.250 145 HB3 CYS 24 2HB CYS 24 1.427 6.685 0.646 146 HG CYS 24 HG CYS 24 3.677 6.857 2.173 147 H GLU 25 H GLU 25 0.649 8.981 -0.701 148 HA GLU 25 HA GLU 25 1.850 11.412 0.368 149 HB2 GLU 25 1HB GLU 25 1.758 10.270 -2.427 150 HB3 GLU 25 2HB GLU 25 2.537 11.790 -2.011 151 HG2 GLU 25 1HG GLU 25 3.313 9.310 -0.557 152 HG3 GLU 25 2HG GLU 25 3.921 9.588 -2.188 153 H THR 26 H THR 26 -0.946 10.350 -1.419 154 HA THR 26 HA THR 26 -1.740 12.992 -2.239 155 HB THR 26 HB THR 26 -3.142 10.323 -2.315 156 HG1 THR 26 HG1 THR 26 -2.896 10.733 -4.602 157 HG21 THR 26 3HG2 THR 26 -4.172 13.029 -3.162 158 HG22 THR 26 1HG2 THR 26 -4.885 11.935 -1.977 159 HG23 THR 26 2HG2 THR 26 -4.876 11.500 -3.687 160 H LEU 27 H LEU 27 -3.532 10.623 -0.270 161 HA LEU 27 HA LEU 27 -5.054 12.655 1.021 162 HB2 LEU 27 1HB LEU 27 -4.707 9.777 1.844 163 HB3 LEU 27 2HB LEU 27 -6.006 10.865 2.329 164 HG LEU 27 HG LEU 27 -5.538 9.876 -0.483 165 HD11 LEU 27 1HD1 LEU 27 -7.538 9.006 1.597 166 HD12 LEU 27 2HD1 LEU 27 -6.207 8.047 0.952 167 HD13 LEU 27 3HD1 LEU 27 -7.546 8.512 -0.096 168 HD21 LEU 27 3HD2 LEU 27 -7.580 11.664 0.787 169 HD22 LEU 27 1HD2 LEU 27 -7.966 10.724 -0.655 170 HD23 LEU 27 2HD2 LEU 27 -6.656 11.904 -0.697 171 H GLY 28 H GLY 28 -2.356 10.583 2.039 172 HA2 GLY 28 1HA GLY 28 -0.628 11.465 3.462 173 HA3 GLY 28 2HA GLY 28 -1.832 12.507 4.206 174 H LEU 29 H LEU 29 -0.036 9.747 4.601 175 HA LEU 29 HA LEU 29 -1.572 7.843 5.783 176 HB2 LEU 29 1HB LEU 29 1.107 8.887 6.676 177 HB3 LEU 29 2HB LEU 29 0.370 7.416 7.309 178 HG LEU 29 HG LEU 29 1.084 7.845 4.411 179 HD11 LEU 29 1HD1 LEU 29 3.055 6.616 4.753 180 HD12 LEU 29 2HD1 LEU 29 2.573 6.134 6.379 181 HD13 LEU 29 3HD1 LEU 29 3.024 7.807 6.053 182 HD21 LEU 29 3HD2 LEU 29 -0.570 5.962 5.689 183 HD22 LEU 29 1HD2 LEU 29 0.925 5.122 5.275 184 HD23 LEU 29 2HD2 LEU 29 0.002 5.949 4.020 185 H GLY 30 H GLY 30 -0.948 11.037 6.965 186 HA2 GLY 30 1HA GLY 30 -1.329 10.898 9.662 187 HA3 GLY 30 2HA GLY 30 -1.974 12.198 8.672 188 H ASN 31 H ASN 31 -3.824 10.623 7.180 189 HA ASN 31 HA ASN 31 -5.721 9.851 9.299 190 HB2 ASN 31 1HB ASN 31 -6.215 12.058 8.158 191 HB3 ASN 31 2HB ASN 31 -6.485 11.143 6.678 192 HD21 ASN 31 1HD2 ASN 31 -7.765 12.123 9.688 193 HD22 ASN 31 2HD2 ASN 31 -9.303 11.349 9.544 194 H TRP 32 H TRP 32 -5.254 7.653 9.090 195 HA TRP 32 HA TRP 32 -5.140 6.237 6.672 196 HB2 TRP 32 1HB TRP 32 -5.851 5.330 9.466 197 HB3 TRP 32 2HB TRP 32 -5.627 4.226 8.112 198 HD1 TRP 32 HD1 TRP 32 -3.727 6.095 10.739 199 HE1 TRP 32 HE1 TRP 32 -1.203 5.683 10.451 200 HE3 TRP 32 HE3 TRP 32 -3.789 3.852 6.145 201 HZ2 TRP 32 HZ2 TRP 32 0.533 4.556 8.531 202 HZ3 TRP 32 HZ3 TRP 32 -1.654 3.137 5.153 203 HH2 TRP 32 HH2 TRP 32 0.461 3.483 6.323 204 H ALA 33 H ALA 33 -7.846 6.999 8.807 205 HA ALA 33 HA ALA 33 -9.859 5.426 7.919 206 HB1 ALA 33 3HB ALA 33 -9.702 8.134 8.997 207 HB2 ALA 33 1HB ALA 33 -11.144 7.840 8.025 208 HB3 ALA 33 2HB ALA 33 -10.789 6.808 9.411 209 H ASP 34 H ASP 34 -8.595 8.284 6.256 210 HA ASP 34 HA ASP 34 -10.472 8.135 4.103 211 HB2 ASP 34 1HB ASP 34 -7.934 9.684 4.566 212 HB3 ASP 34 2HB ASP 34 -8.757 9.728 3.009 213 H ILE 35 H ILE 35 -7.107 7.136 4.558 214 HA ILE 35 HA ILE 35 -6.559 6.311 1.950 215 HB ILE 35 HB ILE 35 -5.510 5.150 4.534 216 HG12 ILE 35 1HG1 ILE 35 -4.126 7.114 2.718 217 HG13 ILE 35 2HG1 ILE 35 -5.190 7.650 4.014 218 HG21 ILE 35 1HG2 ILE 35 -5.267 4.063 2.030 219 HG22 ILE 35 2HG2 ILE 35 -3.800 5.030 2.175 220 HG23 ILE 35 3HG2 ILE 35 -4.162 3.792 3.377 221 HD11 ILE 35 3HD1 ILE 35 -2.457 6.921 4.145 222 HD12 ILE 35 1HD1 ILE 35 -3.510 7.498 5.436 223 HD13 ILE 35 2HD1 ILE 35 -3.383 5.770 5.107 224 H ALA 36 H ALA 36 -8.009 4.535 4.650 225 HA ALA 36 HA ALA 36 -8.116 1.988 3.655 226 HB1 ALA 36 3HB ALA 36 -8.974 2.868 5.885 227 HB2 ALA 36 1HB ALA 36 -10.480 3.223 5.037 228 HB3 ALA 36 2HB ALA 36 -9.890 1.563 5.133 229 H ASP 37 H ASP 37 -10.461 4.591 3.032 230 HA ASP 37 HA ASP 37 -12.073 3.050 1.275 231 HB2 ASP 37 1HB ASP 37 -12.706 5.194 2.536 232 HB3 ASP 37 2HB ASP 37 -11.883 6.057 1.240 233 H TYR 38 H TYR 38 -9.090 4.683 0.894 234 HA TYR 38 HA TYR 38 -9.325 5.035 -1.965 235 HB2 TYR 38 1HB TYR 38 -7.952 6.488 -0.336 236 HB3 TYR 38 2HB TYR 38 -6.761 5.194 -0.397 237 HD1 TYR 38 HD2 TYR 38 -8.437 7.830 -2.337 238 HD2 TYR 38 HD1 TYR 38 -5.407 4.843 -2.353 239 HE1 TYR 38 HE2 TYR 38 -7.505 8.794 -4.399 240 HE2 TYR 38 HE1 TYR 38 -4.466 5.800 -4.414 241 HH TYR 38 HH TYR 38 -5.955 7.647 -6.431 242 H VAL 39 H VAL 39 -7.724 2.822 0.270 243 HA VAL 39 HA VAL 39 -6.447 1.332 -1.842 244 HB VAL 39 HB VAL 39 -6.750 0.687 1.095 245 HG11 VAL 39 1HG1 VAL 39 -6.231 -1.133 -0.805 246 HG12 VAL 39 2HG1 VAL 39 -4.597 -0.527 -0.523 247 HG13 VAL 39 3HG1 VAL 39 -5.533 -1.199 0.813 248 HG21 VAL 39 3HG2 VAL 39 -5.448 2.746 0.539 249 HG22 VAL 39 1HG2 VAL 39 -4.512 1.495 1.356 250 HG23 VAL 39 2HG2 VAL 39 -4.338 1.732 -0.383 251 H GLY 40 H GLY 40 -8.587 0.131 0.740 252 HA2 GLY 40 1HA GLY 40 -10.481 -1.195 0.606 253 HA3 GLY 40 2HA GLY 40 -10.446 -1.005 -1.141 254 H ASN 41 H ASN 41 -10.259 -2.880 -2.151 255 HA ASN 41 HA ASN 41 -9.837 -5.100 -2.513 256 HB2 ASN 41 1HB ASN 41 -7.088 -4.629 -1.412 257 HB3 ASN 41 2HB ASN 41 -7.575 -5.553 -2.830 258 HD21 ASN 41 1HD2 ASN 41 -6.126 -2.791 -1.828 259 HD22 ASN 41 2HD2 ASN 41 -6.345 -1.817 -3.238 260 H ALA 42 H ALA 42 -11.205 -4.964 -0.230 261 HA ALA 42 HA ALA 42 -11.742 -6.168 1.627 262 HB1 ALA 42 3HB ALA 42 -10.066 -8.212 2.004 263 HB2 ALA 42 1HB ALA 42 -11.349 -8.238 0.794 264 HB3 ALA 42 2HB ALA 42 -9.694 -7.855 0.318 265 H ARG 43 H ARG 43 -9.869 -3.916 1.740 266 HA ARG 43 HA ARG 43 -8.501 -4.613 4.255 267 HB2 ARG 43 1HB ARG 43 -7.565 -2.506 2.307 268 HB3 ARG 43 2HB ARG 43 -6.713 -3.115 3.720 269 HG2 ARG 43 1HG ARG 43 -7.377 -4.764 1.291 270 HG3 ARG 43 2HG ARG 43 -5.828 -3.966 1.573 271 HD2 ARG 43 1HD ARG 43 -5.402 -5.304 3.497 272 HD3 ARG 43 2HD ARG 43 -7.044 -5.946 3.487 273 HE ARG 43 HE ARG 43 -5.527 -6.516 1.104 274 HH11 ARG 43 1HH1 ARG 43 -6.371 -7.573 4.312 275 HH12 ARG 43 2HH1 ARG 43 -6.010 -9.238 3.999 276 HH21 ARG 43 1HH2 ARG 43 -5.049 -8.706 0.680 277 HH22 ARG 43 2HH2 ARG 43 -5.258 -9.882 1.933 278 H THR 44 H THR 44 -7.981 -2.520 5.528 279 HA THR 44 HA THR 44 -9.979 -0.433 5.234 280 HB THR 44 HB THR 44 -10.825 -0.657 7.532 281 HG1 THR 44 HG1 THR 44 -8.824 -2.481 7.690 282 HG21 THR 44 3HG2 THR 44 -12.114 -2.809 7.183 283 HG22 THR 44 1HG2 THR 44 -11.157 -3.043 5.721 284 HG23 THR 44 2HG2 THR 44 -12.210 -1.635 5.870 285 H LYS 45 H LYS 45 -9.756 0.952 7.481 286 HA LYS 45 HA LYS 45 -7.198 2.130 7.317 287 HB2 LYS 45 1HB LYS 45 -7.946 3.439 9.319 288 HB3 LYS 45 2HB LYS 45 -9.061 3.488 7.960 289 HG2 LYS 45 1HG LYS 45 -10.433 1.762 9.060 290 HG3 LYS 45 2HG LYS 45 -9.338 1.807 10.443 291 HD2 LYS 45 1HD LYS 45 -10.032 3.912 11.091 292 HD3 LYS 45 2HD LYS 45 -10.590 4.340 9.472 293 HE2 LYS 45 1HE LYS 45 -12.284 2.364 9.920 294 HE3 LYS 45 2HE LYS 45 -11.946 2.764 11.603 295 HZ1 LYS 45 3HZ LYS 45 -13.823 4.019 10.918 296 HZ2 LYS 45 1HZ LYS 45 -13.046 4.563 9.516 297 HZ3 LYS 45 2HZ LYS 45 -12.528 5.102 11.034 298 H GLU 46 H GLU 46 -8.661 -0.072 9.666 299 HA GLU 46 HA GLU 46 -6.514 -0.044 11.506 300 HB2 GLU 46 1HB GLU 46 -8.699 -2.059 10.987 301 HB3 GLU 46 2HB GLU 46 -7.531 -2.226 12.289 302 HG2 GLU 46 1HG GLU 46 -9.337 0.155 11.967 303 HG3 GLU 46 2HG GLU 46 -9.731 -1.253 12.952 304 H GLU 47 H GLU 47 -7.214 -1.974 8.653 305 HA GLU 47 HA GLU 47 -4.965 -3.737 9.097 306 HB2 GLU 47 1HB GLU 47 -7.043 -3.469 6.946 307 HB3 GLU 47 2HB GLU 47 -5.620 -4.470 6.692 308 HG2 GLU 47 1HG GLU 47 -6.235 -5.991 8.321 309 HG3 GLU 47 2HG GLU 47 -7.304 -4.846 9.128 310 H CYS 48 H CYS 48 -5.847 -1.627 6.357 311 HA CYS 48 HA CYS 48 -3.497 -1.571 5.005 312 HB2 CYS 48 1HB CYS 48 -5.320 0.788 5.520 313 HB3 CYS 48 2HB CYS 48 -4.098 0.719 4.256 314 HG CYS 48 HG CYS 48 -7.200 -0.336 4.188 315 H ARG 49 H ARG 49 -4.287 0.305 7.893 316 HA ARG 49 HA ARG 49 -2.041 1.950 7.976 317 HB2 ARG 49 1HB ARG 49 -3.911 2.335 9.450 318 HB3 ARG 49 2HB ARG 49 -3.675 0.775 10.228 319 HG2 ARG 49 1HG ARG 49 -1.650 1.500 11.245 320 HG3 ARG 49 2HG ARG 49 -1.640 2.988 10.295 321 HD2 ARG 49 1HD ARG 49 -2.473 3.757 12.291 322 HD3 ARG 49 2HD ARG 49 -3.966 3.368 11.437 323 HE ARG 49 HE ARG 49 -4.361 1.691 12.950 324 HH11 ARG 49 1HH1 ARG 49 -1.058 2.753 13.239 325 HH12 ARG 49 2HH1 ARG 49 -0.752 1.838 14.678 326 HH21 ARG 49 1HH2 ARG 49 -3.971 0.482 14.844 327 HH22 ARG 49 2HH2 ARG 49 -2.410 0.545 15.589 328 H ASP 50 H ASP 50 -2.467 -0.833 10.152 329 HA ASP 50 HA ASP 50 0.204 -1.090 10.855 330 HB2 ASP 50 1HB ASP 50 -2.088 -3.036 10.822 331 HB3 ASP 50 2HB ASP 50 -0.478 -3.551 11.318 332 H HIS 51 H HIS 51 -1.432 -2.098 7.979 333 HA HIS 51 HA HIS 51 0.346 -4.099 7.104 334 HB2 HIS 51 1HB HIS 51 -1.627 -4.091 5.899 335 HB3 HIS 51 2HB HIS 51 -1.668 -2.334 5.776 336 HD1 HIS 51 HD1 HIS 51 0.597 -5.109 4.465 337 HD2 HIS 51 HD2 HIS 51 -1.124 -1.522 3.267 338 HE1 HIS 51 HE1 HIS 51 1.303 -4.790 2.072 339 HE2 HIS 51 HE2 HIS 51 0.321 -2.572 1.396 340 H TYR 52 H TYR 52 0.329 -0.594 6.672 341 HA TYR 52 HA TYR 52 2.626 -0.592 4.951 342 HB2 TYR 52 1HB TYR 52 0.908 1.177 4.840 343 HB3 TYR 52 2HB TYR 52 1.343 1.692 6.466 344 HD1 TYR 52 HD2 TYR 52 3.972 2.176 6.740 345 HD2 TYR 52 HD1 TYR 52 1.799 2.376 3.087 346 HE1 TYR 52 HE2 TYR 52 5.682 3.680 5.811 347 HE2 TYR 52 HE1 TYR 52 3.504 3.879 2.148 348 HH TYR 52 HH TYR 52 6.116 4.263 2.688 349 H LEU 53 H LEU 53 2.034 -0.261 8.382 350 HA LEU 53 HA LEU 53 4.665 0.678 9.021 351 HB2 LEU 53 1HB LEU 53 2.442 -0.466 10.696 352 HB3 LEU 53 2HB LEU 53 3.975 0.085 11.368 353 HG LEU 53 HG LEU 53 2.160 1.891 9.787 354 HD11 LEU 53 1HD1 LEU 53 1.971 2.566 12.483 355 HD12 LEU 53 2HD1 LEU 53 1.760 0.816 12.431 356 HD13 LEU 53 3HD1 LEU 53 0.712 1.859 11.469 357 HD21 LEU 53 3HD2 LEU 53 3.430 3.651 10.736 358 HD22 LEU 53 1HD2 LEU 53 4.589 2.464 10.137 359 HD23 LEU 53 2HD2 LEU 53 4.236 2.558 11.862 360 H LYS 54 H LYS 54 3.490 -2.282 8.046 361 HA LYS 54 HA LYS 54 5.658 -3.729 9.420 362 HB2 LYS 54 1HB LYS 54 4.386 -5.703 9.341 363 HB3 LYS 54 2HB LYS 54 3.232 -4.456 9.794 364 HG2 LYS 54 1HG LYS 54 2.214 -4.462 7.701 365 HG3 LYS 54 2HG LYS 54 3.587 -5.263 6.933 366 HD2 LYS 54 1HD LYS 54 1.718 -6.806 7.191 367 HD3 LYS 54 2HD LYS 54 3.087 -7.310 8.185 368 HE2 LYS 54 1HE LYS 54 1.182 -7.560 9.550 369 HE3 LYS 54 2HE LYS 54 1.968 -6.080 10.098 370 HZ1 LYS 54 3HZ LYS 54 -0.632 -6.271 9.504 371 HZ2 LYS 54 1HZ LYS 54 -0.020 -5.718 8.027 372 HZ3 LYS 54 2HZ LYS 54 0.248 -4.827 9.439 373 H THR 55 H THR 55 4.158 -2.994 6.352 374 HA THR 55 HA THR 55 5.841 -4.786 4.846 375 HB THR 55 HB THR 55 3.987 -2.581 3.931 376 HG1 THR 55 HG1 THR 55 3.541 -5.316 3.484 377 HG21 THR 55 3HG2 THR 55 4.287 -3.317 1.708 378 HG22 THR 55 1HG2 THR 55 5.166 -4.758 2.219 379 HG23 THR 55 2HG2 THR 55 5.914 -3.168 2.372 380 H TYR 56 H TYR 56 5.618 -1.270 5.306 381 HA TYR 56 HA TYR 56 7.981 -0.782 3.731 382 HB2 TYR 56 1HB TYR 56 6.214 0.992 5.413 383 HB3 TYR 56 2HB TYR 56 7.667 1.587 4.616 384 HD1 TYR 56 HD1 TYR 56 4.556 -0.323 3.807 385 HD2 TYR 56 HD2 TYR 56 7.446 2.520 2.516 386 HE1 TYR 56 HE1 TYR 56 3.267 0.041 1.744 387 HE2 TYR 56 HE2 TYR 56 6.164 2.893 0.451 388 HH TYR 56 HH TYR 56 4.211 1.076 -0.855 389 H ILE 57 H ILE 57 7.196 0.020 7.118 390 HA ILE 57 HA ILE 57 9.872 0.424 7.892 391 HB ILE 57 HB ILE 57 7.499 -0.288 9.620 392 HG12 ILE 57 1HG1 ILE 57 7.124 1.754 8.340 393 HG13 ILE 57 2HG1 ILE 57 7.387 2.147 10.035 394 HG21 ILE 57 1HG2 ILE 57 10.263 0.681 10.275 395 HG22 ILE 57 2HG2 ILE 57 8.904 0.932 11.370 396 HG23 ILE 57 3HG2 ILE 57 9.393 -0.705 10.933 397 HD11 ILE 57 3HD1 ILE 57 8.704 3.721 9.085 398 HD12 ILE 57 1HD1 ILE 57 9.882 2.413 9.193 399 HD13 ILE 57 2HD1 ILE 57 9.057 2.734 7.667 400 H GLU 58 H GLU 58 7.721 -2.234 8.920 401 HA GLU 58 HA GLU 58 9.982 -3.855 9.668 402 HB2 GLU 58 1HB GLU 58 7.539 -3.736 10.683 403 HB3 GLU 58 2HB GLU 58 7.222 -4.974 9.476 404 HG2 GLU 58 1HG GLU 58 9.339 -5.119 11.611 405 HG3 GLU 58 2HG GLU 58 7.772 -5.926 11.659 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.565 -27.613 4.092 2 HA2 GLY 1 1HA GLY 1 4.969 -28.561 5.526 3 HA3 GLY 1 2HA GLY 1 3.758 -27.512 6.247 4 H SER 2 H SER 2 1.410 -28.623 5.751 5 HA SER 2 HA SER 2 1.539 -31.468 6.381 6 HB2 SER 2 1HB SER 2 0.365 -29.370 8.205 7 HB3 SER 2 2HB SER 2 -0.118 -31.064 8.288 8 HG SER 2 HG SER 2 1.941 -31.621 8.861 9 H SER 3 H SER 3 -0.382 -32.599 5.964 10 HA SER 3 HA SER 3 -1.834 -31.967 3.769 11 HB2 SER 3 1HB SER 3 -3.545 -33.556 4.533 12 HB3 SER 3 2HB SER 3 -1.925 -34.166 4.872 13 HG SER 3 HG SER 3 -2.448 -32.928 7.011 14 H GLY 4 H GLY 4 -3.757 -30.943 3.270 15 HA2 GLY 4 1HA GLY 4 -5.847 -29.987 4.407 16 HA3 GLY 4 2HA GLY 4 -4.683 -29.027 5.309 17 H SER 5 H SER 5 -6.393 -27.505 4.141 18 HA SER 5 HA SER 5 -5.108 -26.596 1.649 19 HB2 SER 5 1HB SER 5 -7.486 -27.552 1.461 20 HB3 SER 5 2HB SER 5 -8.007 -26.098 2.312 21 HG SER 5 HG SER 5 -6.778 -24.960 0.582 22 H SER 6 H SER 6 -4.193 -25.760 4.123 23 HA SER 6 HA SER 6 -5.398 -23.181 4.702 24 HB2 SER 6 1HB SER 6 -3.834 -23.061 6.550 25 HB3 SER 6 2HB SER 6 -4.569 -24.664 6.530 26 HG SER 6 HG SER 6 -2.401 -24.977 6.780 27 H GLY 7 H GLY 7 -4.925 -21.535 3.400 28 HA2 GLY 7 1HA GLY 7 -2.156 -21.317 2.391 29 HA3 GLY 7 2HA GLY 7 -3.565 -20.743 1.513 30 H PHE 8 H PHE 8 -1.260 -20.059 3.993 31 HA PHE 8 HA PHE 8 -2.542 -17.758 5.068 32 HB2 PHE 8 1HB PHE 8 0.412 -18.403 5.078 33 HB3 PHE 8 2HB PHE 8 -0.436 -17.315 6.172 34 HD1 PHE 8 HD1 PHE 8 0.034 -20.842 5.223 35 HD2 PHE 8 HD2 PHE 8 -1.580 -18.130 8.079 36 HE1 PHE 8 HE1 PHE 8 -0.340 -22.710 6.780 37 HE2 PHE 8 HE2 PHE 8 -1.956 -19.994 9.641 38 HZ PHE 8 HZ PHE 8 -1.334 -22.287 8.993 39 H ASP 9 H ASP 9 -3.168 -16.403 3.406 40 HA ASP 9 HA ASP 9 -1.240 -15.476 1.461 41 HB2 ASP 9 1HB ASP 9 -3.672 -15.849 0.934 42 HB3 ASP 9 2HB ASP 9 -4.042 -14.452 1.941 43 H GLU 10 H GLU 10 0.301 -14.506 2.874 44 HA GLU 10 HA GLU 10 -0.593 -12.033 4.187 45 HB2 GLU 10 1HB GLU 10 1.330 -12.160 5.573 46 HB3 GLU 10 2HB GLU 10 0.656 -13.782 5.518 47 HG2 GLU 10 1HG GLU 10 2.348 -14.140 3.584 48 HG3 GLU 10 2HG GLU 10 3.153 -12.730 4.272 49 H ASN 11 H ASN 11 -0.379 -12.026 1.399 50 HA ASN 11 HA ASN 11 1.782 -10.079 1.061 51 HB2 ASN 11 1HB ASN 11 1.201 -12.135 -1.067 52 HB3 ASN 11 2HB ASN 11 2.568 -11.029 -0.966 53 HD21 ASN 11 1HD2 ASN 11 1.453 -14.121 -0.321 54 HD22 ASN 11 2HD2 ASN 11 2.762 -14.666 0.666 55 H TRP 12 H TRP 12 1.170 -8.294 -0.004 56 HA TRP 12 HA TRP 12 -1.584 -8.080 -0.856 57 HB2 TRP 12 1HB TRP 12 0.678 -6.125 -0.535 58 HB3 TRP 12 2HB TRP 12 -0.805 -5.663 -1.366 59 HD1 TRP 12 HD1 TRP 12 -0.555 -7.795 1.855 60 HE1 TRP 12 HE1 TRP 12 -1.868 -6.589 3.711 61 HE3 TRP 12 HE3 TRP 12 -1.798 -3.528 -0.672 62 HZ2 TRP 12 HZ2 TRP 12 -3.249 -4.151 4.058 63 HZ3 TRP 12 HZ3 TRP 12 -3.117 -1.809 0.494 64 HH2 TRP 12 HH2 TRP 12 -3.827 -2.116 2.810 65 H GLY 13 H GLY 13 -1.668 -6.395 -2.915 66 HA2 GLY 13 1HA GLY 13 -0.164 -7.755 -5.065 67 HA3 GLY 13 2HA GLY 13 -1.869 -7.358 -5.221 68 H ALA 14 H ALA 14 0.662 -6.527 -6.688 69 HA ALA 14 HA ALA 14 1.540 -4.022 -6.390 70 HB1 ALA 14 3HB ALA 14 1.159 -3.820 -8.989 71 HB2 ALA 14 1HB ALA 14 2.321 -4.966 -8.319 72 HB3 ALA 14 2HB ALA 14 0.725 -5.521 -8.826 73 H ASP 15 H ASP 15 -1.718 -4.881 -7.415 74 HA ASP 15 HA ASP 15 -2.589 -2.290 -8.101 75 HB2 ASP 15 1HB ASP 15 -4.286 -4.545 -7.014 76 HB3 ASP 15 2HB ASP 15 -4.830 -3.187 -7.996 77 H GLU 16 H GLU 16 -3.657 -4.126 -5.240 78 HA GLU 16 HA GLU 16 -4.577 -1.889 -3.834 79 HB2 GLU 16 1HB GLU 16 -4.526 -3.374 -1.840 80 HB3 GLU 16 2HB GLU 16 -5.319 -4.100 -3.231 81 HG2 GLU 16 1HG GLU 16 -3.052 -5.192 -3.709 82 HG3 GLU 16 2HG GLU 16 -2.639 -4.735 -2.057 83 H GLU 17 H GLU 17 -1.406 -2.939 -4.430 84 HA GLU 17 HA GLU 17 -0.244 -1.753 -2.060 85 HB2 GLU 17 1HB GLU 17 0.911 -3.050 -4.521 86 HB3 GLU 17 2HB GLU 17 1.927 -2.249 -3.331 87 HG2 GLU 17 1HG GLU 17 0.647 -3.805 -1.655 88 HG3 GLU 17 2HG GLU 17 0.362 -4.767 -3.104 89 H LEU 18 H LEU 18 -0.394 -1.036 -5.530 90 HA LEU 18 HA LEU 18 1.182 1.283 -5.489 91 HB2 LEU 18 1HB LEU 18 0.855 0.597 -7.625 92 HB3 LEU 18 2HB LEU 18 -0.802 0.080 -7.320 93 HG LEU 18 HG LEU 18 -1.345 2.600 -7.254 94 HD11 LEU 18 1HD1 LEU 18 0.213 4.098 -7.787 95 HD12 LEU 18 2HD1 LEU 18 0.781 3.139 -9.154 96 HD13 LEU 18 3HD1 LEU 18 1.394 2.812 -7.533 97 HD21 LEU 18 3HD2 LEU 18 -0.550 1.873 -10.001 98 HD22 LEU 18 1HD2 LEU 18 -2.111 2.394 -9.368 99 HD23 LEU 18 2HD2 LEU 18 -1.589 0.722 -9.159 100 H LEU 19 H LEU 19 -2.258 0.783 -4.917 101 HA LEU 19 HA LEU 19 -2.981 3.520 -4.852 102 HB2 LEU 19 1HB LEU 19 -4.257 1.062 -3.675 103 HB3 LEU 19 2HB LEU 19 -4.983 2.665 -3.580 104 HG LEU 19 HG LEU 19 -4.343 1.253 -6.167 105 HD11 LEU 19 1HD1 LEU 19 -6.593 0.580 -6.315 106 HD12 LEU 19 2HD1 LEU 19 -7.062 1.555 -4.923 107 HD13 LEU 19 3HD1 LEU 19 -6.068 0.117 -4.696 108 HD21 LEU 19 3HD2 LEU 19 -5.273 3.914 -5.452 109 HD22 LEU 19 1HD2 LEU 19 -6.358 3.087 -6.570 110 HD23 LEU 19 2HD2 LEU 19 -4.658 3.302 -6.989 111 H LEU 20 H LEU 20 -2.223 1.189 -2.275 112 HA LEU 20 HA LEU 20 -2.652 2.675 -0.035 113 HB2 LEU 20 1HB LEU 20 -1.865 0.366 -0.009 114 HB3 LEU 20 2HB LEU 20 -0.280 0.893 -0.572 115 HG LEU 20 HG LEU 20 0.050 2.110 1.537 116 HD11 LEU 20 1HD1 LEU 20 -1.616 1.370 3.394 117 HD12 LEU 20 2HD1 LEU 20 -2.728 1.140 2.044 118 HD13 LEU 20 3HD1 LEU 20 -2.018 2.727 2.341 119 HD21 LEU 20 3HD2 LEU 20 -0.415 -0.267 2.901 120 HD22 LEU 20 1HD2 LEU 20 1.062 0.200 2.058 121 HD23 LEU 20 2HD2 LEU 20 -0.164 -0.756 1.224 122 H ILE 21 H ILE 21 0.328 2.705 -1.983 123 HA ILE 21 HA ILE 21 1.605 4.725 -0.459 124 HB ILE 21 HB ILE 21 2.103 3.867 -3.312 125 HG12 ILE 21 1HG1 ILE 21 3.735 3.156 -0.883 126 HG13 ILE 21 2HG1 ILE 21 2.353 2.183 -1.376 127 HG21 ILE 21 1HG2 ILE 21 3.008 6.158 -2.098 128 HG22 ILE 21 2HG2 ILE 21 4.328 5.021 -1.827 129 HG23 ILE 21 3HG2 ILE 21 3.768 5.348 -3.467 130 HD11 ILE 21 3HD1 ILE 21 4.578 1.368 -2.165 131 HD12 ILE 21 1HD1 ILE 21 3.382 1.622 -3.435 132 HD13 ILE 21 2HD1 ILE 21 4.668 2.802 -3.186 133 H ASP 22 H ASP 22 -0.131 4.816 -3.563 134 HA ASP 22 HA ASP 22 0.162 7.507 -4.147 135 HB2 ASP 22 1HB ASP 22 -1.841 5.420 -4.837 136 HB3 ASP 22 2HB ASP 22 -2.288 7.096 -5.147 137 H ALA 23 H ALA 23 -2.068 5.927 -1.941 138 HA ALA 23 HA ALA 23 -3.629 8.280 -1.440 139 HB1 ALA 23 3HB ALA 23 -4.736 6.978 0.252 140 HB2 ALA 23 1HB ALA 23 -4.510 5.976 -1.183 141 HB3 ALA 23 2HB ALA 23 -3.455 5.766 0.216 142 H CYS 24 H CYS 24 -0.989 6.602 0.218 143 HA CYS 24 HA CYS 24 -0.968 8.229 2.525 144 HB2 CYS 24 1HB CYS 24 1.294 6.655 1.275 145 HB3 CYS 24 2HB CYS 24 1.283 7.303 2.911 146 HG CYS 24 HG CYS 24 -1.331 5.665 3.099 147 H GLU 25 H GLU 25 0.337 8.636 -0.667 148 HA GLU 25 HA GLU 25 1.980 10.901 0.153 149 HB2 GLU 25 1HB GLU 25 2.782 10.925 -2.142 150 HB3 GLU 25 2HB GLU 25 2.887 9.298 -1.482 151 HG2 GLU 25 1HG GLU 25 0.616 8.912 -2.610 152 HG3 GLU 25 2HG GLU 25 0.978 10.379 -3.517 153 H THR 26 H THR 26 -0.808 10.203 -1.923 154 HA THR 26 HA THR 26 -1.220 12.932 -2.663 155 HB THR 26 HB THR 26 -3.018 10.514 -2.879 156 HG1 THR 26 HG1 THR 26 -1.914 11.900 -5.058 157 HG21 THR 26 3HG2 THR 26 -3.414 13.304 -3.963 158 HG22 THR 26 1HG2 THR 26 -4.413 12.493 -2.758 159 HG23 THR 26 2HG2 THR 26 -4.376 11.898 -4.418 160 H LEU 27 H LEU 27 -3.282 10.741 -0.739 161 HA LEU 27 HA LEU 27 -4.762 12.900 0.393 162 HB2 LEU 27 1HB LEU 27 -4.599 10.028 1.293 163 HB3 LEU 27 2HB LEU 27 -5.835 11.197 1.754 164 HG LEU 27 HG LEU 27 -5.401 10.155 -1.044 165 HD11 LEU 27 1HD1 LEU 27 -7.556 8.971 -0.627 166 HD12 LEU 27 2HD1 LEU 27 -7.398 9.395 1.077 167 HD13 LEU 27 3HD1 LEU 27 -6.195 8.357 0.312 168 HD21 LEU 27 3HD2 LEU 27 -7.795 11.630 -0.001 169 HD22 LEU 27 1HD2 LEU 27 -7.308 11.346 -1.672 170 HD23 LEU 27 2HD2 LEU 27 -6.404 12.483 -0.672 171 H GLY 28 H GLY 28 -2.234 10.728 1.620 172 HA2 GLY 28 1HA GLY 28 -0.523 11.607 3.081 173 HA3 GLY 28 2HA GLY 28 -1.725 12.701 3.750 174 H LEU 29 H LEU 29 0.082 10.660 4.995 175 HA LEU 29 HA LEU 29 -1.623 8.570 5.961 176 HB2 LEU 29 1HB LEU 29 1.136 9.523 6.627 177 HB3 LEU 29 2HB LEU 29 0.329 8.334 7.647 178 HG LEU 29 HG LEU 29 0.595 7.842 4.708 179 HD11 LEU 29 1HD1 LEU 29 2.816 8.435 6.155 180 HD12 LEU 29 2HD1 LEU 29 2.780 7.349 4.766 181 HD13 LEU 29 3HD1 LEU 29 2.694 6.692 6.400 182 HD21 LEU 29 3HD2 LEU 29 -0.366 6.429 6.988 183 HD22 LEU 29 1HD2 LEU 29 1.029 5.571 6.333 184 HD23 LEU 29 2HD2 LEU 29 -0.353 5.926 5.297 185 H GLY 30 H GLY 30 -1.884 11.704 6.491 186 HA2 GLY 30 1HA GLY 30 -1.839 12.089 9.263 187 HA3 GLY 30 2HA GLY 30 -2.835 12.993 8.133 188 H ASN 31 H ASN 31 -4.298 10.668 7.194 189 HA ASN 31 HA ASN 31 -5.681 9.707 9.576 190 HB2 ASN 31 1HB ASN 31 -6.722 11.904 8.724 191 HB3 ASN 31 2HB ASN 31 -7.284 10.954 7.352 192 HD21 ASN 31 1HD2 ASN 31 -9.135 12.153 8.844 193 HD22 ASN 31 2HD2 ASN 31 -9.988 11.010 9.820 194 H TRP 32 H TRP 32 -5.444 7.581 9.252 195 HA TRP 32 HA TRP 32 -5.268 6.304 6.762 196 HB2 TRP 32 1HB TRP 32 -6.013 5.215 9.482 197 HB3 TRP 32 2HB TRP 32 -5.709 4.206 8.070 198 HD1 TRP 32 HD1 TRP 32 -3.938 6.162 10.776 199 HE1 TRP 32 HE1 TRP 32 -1.400 5.782 10.578 200 HE3 TRP 32 HE3 TRP 32 -3.827 3.755 6.267 201 HZ2 TRP 32 HZ2 TRP 32 0.409 4.616 8.752 202 HZ3 TRP 32 HZ3 TRP 32 -1.653 3.040 5.365 203 HH2 TRP 32 HH2 TRP 32 0.421 3.463 6.583 204 H ALA 33 H ALA 33 -8.016 7.006 8.837 205 HA ALA 33 HA ALA 33 -10.007 5.425 7.929 206 HB1 ALA 33 3HB ALA 33 -9.945 8.279 8.750 207 HB2 ALA 33 1HB ALA 33 -11.430 7.650 8.036 208 HB3 ALA 33 2HB ALA 33 -10.766 6.905 9.490 209 H ASP 34 H ASP 34 -8.724 8.265 6.243 210 HA ASP 34 HA ASP 34 -10.536 8.002 4.032 211 HB2 ASP 34 1HB ASP 34 -7.976 9.605 4.198 212 HB3 ASP 34 2HB ASP 34 -9.272 9.813 3.024 213 H ILE 35 H ILE 35 -7.102 7.297 4.577 214 HA ILE 35 HA ILE 35 -6.396 6.467 2.032 215 HB ILE 35 HB ILE 35 -5.427 5.343 4.662 216 HG12 ILE 35 1HG1 ILE 35 -4.262 7.515 2.906 217 HG13 ILE 35 2HG1 ILE 35 -5.150 7.796 4.400 218 HG21 ILE 35 1HG2 ILE 35 -3.637 5.347 2.335 219 HG22 ILE 35 2HG2 ILE 35 -3.883 4.122 3.579 220 HG23 ILE 35 3HG2 ILE 35 -5.004 4.238 2.223 221 HD11 ILE 35 3HD1 ILE 35 -2.544 7.784 4.374 222 HD12 ILE 35 1HD1 ILE 35 -3.430 7.062 5.717 223 HD13 ILE 35 2HD1 ILE 35 -2.754 6.034 4.453 224 H ALA 36 H ALA 36 -8.012 4.669 4.601 225 HA ALA 36 HA ALA 36 -7.907 2.114 3.475 226 HB1 ALA 36 3HB ALA 36 -9.945 3.380 5.293 227 HB2 ALA 36 1HB ALA 36 -9.950 1.670 4.860 228 HB3 ALA 36 2HB ALA 36 -8.584 2.353 5.743 229 H ASP 37 H ASP 37 -10.502 4.549 3.253 230 HA ASP 37 HA ASP 37 -12.153 3.099 1.513 231 HB2 ASP 37 1HB ASP 37 -12.780 5.160 2.834 232 HB3 ASP 37 2HB ASP 37 -11.930 6.110 1.618 233 H TYR 38 H TYR 38 -9.256 4.889 0.948 234 HA TYR 38 HA TYR 38 -9.694 5.154 -1.900 235 HB2 TYR 38 1HB TYR 38 -8.411 6.837 -0.558 236 HB3 TYR 38 2HB TYR 38 -7.151 5.628 -0.334 237 HD1 TYR 38 HD1 TYR 38 -5.795 4.879 -2.254 238 HD2 TYR 38 HD2 TYR 38 -8.656 8.005 -2.637 239 HE1 TYR 38 HE1 TYR 38 -4.755 5.563 -4.375 240 HE2 TYR 38 HE2 TYR 38 -7.624 8.697 -4.760 241 HH TYR 38 HH TYR 38 -5.495 6.802 -6.473 242 H VAL 39 H VAL 39 -7.837 3.114 0.291 243 HA VAL 39 HA VAL 39 -6.548 1.685 -1.865 244 HB VAL 39 HB VAL 39 -6.605 1.153 1.108 245 HG11 VAL 39 1HG1 VAL 39 -4.630 -0.329 0.559 246 HG12 VAL 39 2HG1 VAL 39 -6.214 -0.939 0.076 247 HG13 VAL 39 3HG1 VAL 39 -5.137 -0.227 -1.127 248 HG21 VAL 39 3HG2 VAL 39 -4.262 1.953 1.002 249 HG22 VAL 39 1HG2 VAL 39 -4.516 2.377 -0.691 250 HG23 VAL 39 2HG2 VAL 39 -5.437 3.195 0.571 251 H GLY 40 H GLY 40 -8.467 0.437 0.869 252 HA2 GLY 40 1HA GLY 40 -10.147 -1.133 0.939 253 HA3 GLY 40 2HA GLY 40 -10.394 -0.852 -0.778 254 H ASN 41 H ASN 41 -10.256 -2.680 -1.881 255 HA ASN 41 HA ASN 41 -9.626 -4.760 -2.558 256 HB2 ASN 41 1HB ASN 41 -6.876 -4.244 -1.475 257 HB3 ASN 41 2HB ASN 41 -7.349 -5.060 -2.962 258 HD21 ASN 41 1HD2 ASN 41 -6.161 -2.250 -1.653 259 HD22 ASN 41 2HD2 ASN 41 -6.422 -1.194 -2.995 260 H ALA 42 H ALA 42 -10.941 -4.946 -0.255 261 HA ALA 42 HA ALA 42 -11.368 -6.385 1.458 262 HB1 ALA 42 3HB ALA 42 -10.823 -8.364 0.554 263 HB2 ALA 42 1HB ALA 42 -9.297 -7.760 -0.094 264 HB3 ALA 42 2HB ALA 42 -9.402 -8.262 1.594 265 H ARG 43 H ARG 43 -9.679 -4.006 1.786 266 HA ARG 43 HA ARG 43 -8.260 -4.824 4.236 267 HB2 ARG 43 1HB ARG 43 -7.474 -2.485 2.499 268 HB3 ARG 43 2HB ARG 43 -6.577 -3.173 3.846 269 HG2 ARG 43 1HG ARG 43 -7.138 -4.605 1.258 270 HG3 ARG 43 2HG ARG 43 -5.642 -3.748 1.635 271 HD2 ARG 43 1HD ARG 43 -5.072 -5.267 3.332 272 HD3 ARG 43 2HD ARG 43 -6.706 -5.927 3.404 273 HE ARG 43 HE ARG 43 -5.460 -6.326 0.859 274 HH11 ARG 43 1HH1 ARG 43 -5.728 -7.558 4.104 275 HH12 ARG 43 2HH1 ARG 43 -5.307 -9.180 3.662 276 HH21 ARG 43 1HH2 ARG 43 -4.904 -8.457 0.265 277 HH22 ARG 43 2HH2 ARG 43 -4.838 -9.690 1.478 278 H THR 44 H THR 44 -7.744 -2.525 5.442 279 HA THR 44 HA THR 44 -9.865 -0.625 5.384 280 HB THR 44 HB THR 44 -11.125 -2.426 6.441 281 HG1 THR 44 HG1 THR 44 -10.353 -0.310 8.186 282 HG21 THR 44 3HG2 THR 44 -9.101 -2.358 8.675 283 HG22 THR 44 1HG2 THR 44 -9.105 -3.577 7.402 284 HG23 THR 44 2HG2 THR 44 -10.478 -3.446 8.501 285 H LYS 45 H LYS 45 -9.637 1.027 7.044 286 HA LYS 45 HA LYS 45 -7.199 2.096 7.369 287 HB2 LYS 45 1HB LYS 45 -8.029 3.253 9.390 288 HB3 LYS 45 2HB LYS 45 -9.204 3.258 8.081 289 HG2 LYS 45 1HG LYS 45 -10.420 1.437 9.153 290 HG3 LYS 45 2HG LYS 45 -9.234 1.410 10.460 291 HD2 LYS 45 1HD LYS 45 -9.992 3.375 11.371 292 HD3 LYS 45 2HD LYS 45 -10.597 3.982 9.828 293 HE2 LYS 45 1HE LYS 45 -12.236 1.913 10.094 294 HE3 LYS 45 2HE LYS 45 -11.879 2.168 11.801 295 HZ1 LYS 45 3HZ LYS 45 -12.460 4.621 10.476 296 HZ2 LYS 45 1HZ LYS 45 -13.189 3.942 11.844 297 HZ3 LYS 45 2HZ LYS 45 -13.732 3.519 10.299 298 H GLU 46 H GLU 46 -8.657 -0.208 9.652 299 HA GLU 46 HA GLU 46 -6.590 -0.296 11.511 300 HB2 GLU 46 1HB GLU 46 -8.546 -2.427 10.649 301 HB3 GLU 46 2HB GLU 46 -7.448 -2.622 12.007 302 HG2 GLU 46 1HG GLU 46 -8.467 -0.762 13.154 303 HG3 GLU 46 2HG GLU 46 -9.506 -0.441 11.767 304 H GLU 47 H GLU 47 -7.005 -2.076 8.490 305 HA GLU 47 HA GLU 47 -4.568 -3.584 8.890 306 HB2 GLU 47 1HB GLU 47 -6.613 -3.442 6.691 307 HB3 GLU 47 2HB GLU 47 -5.090 -4.288 6.458 308 HG2 GLU 47 1HG GLU 47 -5.588 -5.864 8.132 309 HG3 GLU 47 2HG GLU 47 -6.929 -4.900 8.747 310 H CYS 48 H CYS 48 -5.654 -1.481 6.220 311 HA CYS 48 HA CYS 48 -3.332 -1.063 4.911 312 HB2 CYS 48 1HB CYS 48 -5.622 0.779 5.489 313 HB3 CYS 48 2HB CYS 48 -4.222 1.387 4.615 314 HG CYS 48 HG CYS 48 -5.602 -1.473 3.467 315 H ARG 49 H ARG 49 -4.193 0.240 8.033 316 HA ARG 49 HA ARG 49 -2.112 2.173 8.182 317 HB2 ARG 49 1HB ARG 49 -4.031 2.410 9.610 318 HB3 ARG 49 2HB ARG 49 -3.767 0.820 10.314 319 HG2 ARG 49 1HG ARG 49 -1.917 1.540 11.543 320 HG3 ARG 49 2HG ARG 49 -1.725 2.996 10.565 321 HD2 ARG 49 1HD ARG 49 -2.659 3.703 12.617 322 HD3 ARG 49 2HD ARG 49 -3.976 3.730 11.444 323 HE ARG 49 HE ARG 49 -5.004 2.011 12.587 324 HH11 ARG 49 1HH1 ARG 49 -1.782 2.503 13.811 325 HH12 ARG 49 2HH1 ARG 49 -2.012 1.487 15.195 326 HH21 ARG 49 1HH2 ARG 49 -5.319 0.671 14.406 327 HH22 ARG 49 2HH2 ARG 49 -4.025 0.445 15.532 328 H ASP 50 H ASP 50 -2.472 -0.851 10.043 329 HA ASP 50 HA ASP 50 0.210 -0.945 10.875 330 HB2 ASP 50 1HB ASP 50 -1.934 -3.058 10.687 331 HB3 ASP 50 2HB ASP 50 -0.326 -3.405 11.319 332 H HIS 51 H HIS 51 -1.454 -2.767 8.304 333 HA HIS 51 HA HIS 51 0.463 -4.360 7.313 334 HB2 HIS 51 1HB HIS 51 -1.638 -4.302 6.201 335 HB3 HIS 51 2HB HIS 51 -1.454 -2.599 5.788 336 HD1 HIS 51 HD1 HIS 51 0.368 -5.857 5.018 337 HD2 HIS 51 HD2 HIS 51 -0.662 -2.249 3.233 338 HE1 HIS 51 HE1 HIS 51 1.182 -6.024 2.644 339 HE2 HIS 51 HE2 HIS 51 0.623 -3.798 1.608 340 H TYR 52 H TYR 52 0.272 -0.870 6.739 341 HA TYR 52 HA TYR 52 2.559 -0.765 5.049 342 HB2 TYR 52 1HB TYR 52 0.803 0.968 5.026 343 HB3 TYR 52 2HB TYR 52 1.259 1.445 6.658 344 HD1 TYR 52 HD2 TYR 52 3.874 1.994 6.899 345 HD2 TYR 52 HD1 TYR 52 1.636 2.229 3.288 346 HE1 TYR 52 HE2 TYR 52 5.530 3.565 5.982 347 HE2 TYR 52 HE1 TYR 52 3.286 3.799 2.360 348 HH TYR 52 HH TYR 52 5.019 5.194 2.921 349 H LEU 53 H LEU 53 2.030 -0.272 8.505 350 HA LEU 53 HA LEU 53 4.694 0.577 9.059 351 HB2 LEU 53 1HB LEU 53 2.558 -0.539 10.869 352 HB3 LEU 53 2HB LEU 53 4.075 0.170 11.421 353 HG LEU 53 HG LEU 53 2.181 1.773 9.745 354 HD11 LEU 53 1HD1 LEU 53 0.671 2.031 11.357 355 HD12 LEU 53 2HD1 LEU 53 1.911 2.230 12.594 356 HD13 LEU 53 3HD1 LEU 53 1.385 0.613 12.126 357 HD21 LEU 53 3HD2 LEU 53 4.612 2.207 11.282 358 HD22 LEU 53 1HD2 LEU 53 3.329 3.344 11.695 359 HD23 LEU 53 2HD2 LEU 53 3.874 3.199 10.024 360 H LYS 54 H LYS 54 3.442 -2.386 8.196 361 HA LYS 54 HA LYS 54 5.431 -3.913 9.715 362 HB2 LYS 54 1HB LYS 54 3.189 -4.913 7.949 363 HB3 LYS 54 2HB LYS 54 4.223 -5.900 8.974 364 HG2 LYS 54 1HG LYS 54 3.283 -4.276 10.845 365 HG3 LYS 54 2HG LYS 54 1.949 -4.143 9.697 366 HD2 LYS 54 1HD LYS 54 2.989 -6.852 10.370 367 HD3 LYS 54 2HD LYS 54 1.977 -6.017 11.552 368 HE2 LYS 54 1HE LYS 54 0.284 -5.686 9.743 369 HE3 LYS 54 2HE LYS 54 1.272 -6.711 8.704 370 HZ1 LYS 54 3HZ LYS 54 -0.364 -8.093 9.643 371 HZ2 LYS 54 1HZ LYS 54 -0.130 -7.471 11.199 372 HZ3 LYS 54 2HZ LYS 54 1.057 -8.445 10.491 373 H THR 55 H THR 55 4.475 -3.068 6.438 374 HA THR 55 HA THR 55 6.616 -4.656 5.280 375 HB THR 55 HB THR 55 4.556 -2.849 4.005 376 HG1 THR 55 HG1 THR 55 4.753 -5.612 3.555 377 HG21 THR 55 3HG2 THR 55 5.932 -2.770 2.242 378 HG22 THR 55 1HG2 THR 55 5.608 -4.491 2.039 379 HG23 THR 55 2HG2 THR 55 7.025 -3.962 2.946 380 H TYR 56 H TYR 56 5.666 -1.218 5.309 381 HA TYR 56 HA TYR 56 8.135 -0.345 4.175 382 HB2 TYR 56 1HB TYR 56 5.973 1.205 5.615 383 HB3 TYR 56 2HB TYR 56 7.313 1.928 4.734 384 HD1 TYR 56 HD1 TYR 56 4.352 -0.279 4.310 385 HD2 TYR 56 HD2 TYR 56 7.145 2.323 2.431 386 HE1 TYR 56 HE1 TYR 56 3.023 -0.356 2.241 387 HE2 TYR 56 HE2 TYR 56 5.824 2.254 0.358 388 HH TYR 56 HH TYR 56 2.670 0.977 0.229 389 H ILE 57 H ILE 57 6.744 0.433 7.366 390 HA ILE 57 HA ILE 57 9.147 1.313 8.500 391 HB ILE 57 HB ILE 57 6.581 0.325 9.708 392 HG12 ILE 57 1HG1 ILE 57 6.359 2.665 10.387 393 HG13 ILE 57 2HG1 ILE 57 7.952 3.023 9.730 394 HG21 ILE 57 1HG2 ILE 57 9.168 0.903 11.071 395 HG22 ILE 57 2HG2 ILE 57 7.659 1.350 11.864 396 HG23 ILE 57 3HG2 ILE 57 7.959 -0.331 11.425 397 HD11 ILE 57 3HD1 ILE 57 6.196 3.778 8.240 398 HD12 ILE 57 1HD1 ILE 57 7.145 2.494 7.490 399 HD13 ILE 57 2HD1 ILE 57 5.549 2.140 8.151 400 H GLU 58 H GLU 58 7.434 -1.722 9.281 401 HA GLU 58 HA GLU 58 9.992 -2.876 10.120 402 HB2 GLU 58 1HB GLU 58 7.123 -3.512 10.701 403 HB3 GLU 58 2HB GLU 58 8.346 -4.759 10.903 404 HG2 GLU 58 1HG GLU 58 8.652 -2.073 12.185 405 HG3 GLU 58 2HG GLU 58 7.686 -3.343 12.935 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -5.579 -18.810 -15.563 2 HA2 GLY 1 1HA GLY 1 -6.423 -20.675 -14.342 3 HA3 GLY 1 2HA GLY 1 -4.796 -21.147 -14.809 4 H SER 2 H SER 2 -4.230 -22.398 -13.104 5 HA SER 2 HA SER 2 -4.864 -22.261 -10.485 6 HB2 SER 2 1HB SER 2 -2.240 -22.974 -11.782 7 HB3 SER 2 2HB SER 2 -2.469 -23.107 -10.039 8 HG SER 2 HG SER 2 -2.989 -24.976 -11.601 9 H SER 3 H SER 3 -4.900 -20.630 -9.102 10 HA SER 3 HA SER 3 -3.362 -18.259 -9.453 11 HB2 SER 3 1HB SER 3 -4.498 -17.416 -7.557 12 HB3 SER 3 2HB SER 3 -5.663 -18.482 -8.342 13 HG SER 3 HG SER 3 -4.069 -19.041 -6.065 14 H GLY 4 H GLY 4 -1.466 -17.652 -8.580 15 HA2 GLY 4 1HA GLY 4 -0.162 -19.576 -6.757 16 HA3 GLY 4 2HA GLY 4 0.694 -18.569 -7.916 17 H SER 5 H SER 5 1.369 -16.577 -7.322 18 HA SER 5 HA SER 5 2.104 -15.010 -5.820 19 HB2 SER 5 1HB SER 5 0.270 -13.680 -4.823 20 HB3 SER 5 2HB SER 5 -0.026 -14.040 -6.524 21 HG SER 5 HG SER 5 -1.365 -14.913 -4.259 22 H SER 6 H SER 6 2.473 -17.552 -4.798 23 HA SER 6 HA SER 6 1.556 -17.461 -2.023 24 HB2 SER 6 1HB SER 6 3.114 -19.619 -3.468 25 HB3 SER 6 2HB SER 6 2.417 -19.744 -1.853 26 HG SER 6 HG SER 6 0.765 -20.506 -2.920 27 H GLY 7 H GLY 7 2.765 -16.251 -0.713 28 HA2 GLY 7 1HA GLY 7 5.530 -16.877 -0.312 29 HA3 GLY 7 2HA GLY 7 5.320 -15.321 -1.102 30 H PHE 8 H PHE 8 6.124 -16.403 1.712 31 HA PHE 8 HA PHE 8 4.297 -15.480 3.602 32 HB2 PHE 8 1HB PHE 8 7.289 -15.788 3.635 33 HB3 PHE 8 2HB PHE 8 6.430 -15.141 5.029 34 HD1 PHE 8 HD1 PHE 8 6.884 -18.099 2.892 35 HD2 PHE 8 HD2 PHE 8 5.150 -16.548 6.456 36 HE1 PHE 8 HE1 PHE 8 6.404 -20.389 3.650 37 HE2 PHE 8 HE2 PHE 8 4.668 -18.836 7.221 38 HZ PHE 8 HZ PHE 8 5.296 -20.761 5.818 39 H ASP 9 H ASP 9 6.704 -13.756 1.722 40 HA ASP 9 HA ASP 9 6.213 -11.272 3.152 41 HB2 ASP 9 1HB ASP 9 8.467 -11.440 2.589 42 HB3 ASP 9 2HB ASP 9 8.123 -12.134 1.006 43 H GLU 10 H GLU 10 5.630 -12.686 -0.034 44 HA GLU 10 HA GLU 10 4.318 -10.311 -1.015 45 HB2 GLU 10 1HB GLU 10 5.589 -11.766 -2.536 46 HB3 GLU 10 2HB GLU 10 4.481 -13.089 -2.196 47 HG2 GLU 10 1HG GLU 10 3.353 -10.542 -3.221 48 HG3 GLU 10 2HG GLU 10 4.232 -11.583 -4.340 49 H ASN 11 H ASN 11 2.613 -9.998 0.444 50 HA ASN 11 HA ASN 11 0.517 -12.060 0.442 51 HB2 ASN 11 1HB ASN 11 0.927 -9.705 2.300 52 HB3 ASN 11 2HB ASN 11 -0.395 -10.864 2.410 53 HD21 ASN 11 1HD2 ASN 11 1.110 -10.541 4.577 54 HD22 ASN 11 2HD2 ASN 11 2.154 -11.895 4.824 55 H TRP 12 H TRP 12 0.883 -8.518 0.287 56 HA TRP 12 HA TRP 12 -1.773 -8.130 -0.707 57 HB2 TRP 12 1HB TRP 12 0.612 -6.346 -0.313 58 HB3 TRP 12 2HB TRP 12 -0.800 -5.769 -1.194 59 HD1 TRP 12 HD1 TRP 12 -0.821 -7.921 2.024 60 HE1 TRP 12 HE1 TRP 12 -2.109 -6.626 3.838 61 HE3 TRP 12 HE3 TRP 12 -1.667 -3.573 -0.529 62 HZ2 TRP 12 HZ2 TRP 12 -3.324 -4.097 4.145 63 HZ3 TRP 12 HZ3 TRP 12 -2.901 -1.766 0.596 64 HH2 TRP 12 HH2 TRP 12 -3.712 -2.024 2.885 65 H GLY 13 H GLY 13 -1.763 -6.473 -2.757 66 HA2 GLY 13 1HA GLY 13 -0.238 -7.834 -4.889 67 HA3 GLY 13 2HA GLY 13 -1.950 -7.478 -5.067 68 H ALA 14 H ALA 14 0.511 -6.598 -6.563 69 HA ALA 14 HA ALA 14 1.390 -4.097 -6.278 70 HB1 ALA 14 3HB ALA 14 2.000 -5.254 -8.238 71 HB2 ALA 14 1HB ALA 14 0.326 -5.379 -8.780 72 HB3 ALA 14 2HB ALA 14 1.141 -3.814 -8.785 73 H ASP 15 H ASP 15 -1.901 -4.937 -7.236 74 HA ASP 15 HA ASP 15 -2.815 -2.364 -7.861 75 HB2 ASP 15 1HB ASP 15 -4.336 -4.720 -6.726 76 HB3 ASP 15 2HB ASP 15 -5.081 -3.281 -7.417 77 H GLU 16 H GLU 16 -3.705 -4.145 -4.906 78 HA GLU 16 HA GLU 16 -4.504 -1.850 -3.495 79 HB2 GLU 16 1HB GLU 16 -4.396 -3.327 -1.482 80 HB3 GLU 16 2HB GLU 16 -5.323 -3.999 -2.816 81 HG2 GLU 16 1HG GLU 16 -3.031 -5.134 -3.410 82 HG3 GLU 16 2HG GLU 16 -2.707 -4.857 -1.700 83 H GLU 17 H GLU 17 -1.410 -3.040 -4.219 84 HA GLU 17 HA GLU 17 -0.096 -1.875 -1.917 85 HB2 GLU 17 1HB GLU 17 0.910 -3.241 -4.408 86 HB3 GLU 17 2HB GLU 17 1.996 -2.496 -3.243 87 HG2 GLU 17 1HG GLU 17 1.140 -3.973 -1.498 88 HG3 GLU 17 2HG GLU 17 0.052 -4.720 -2.666 89 H LEU 18 H LEU 18 -0.747 -1.057 -5.254 90 HA LEU 18 HA LEU 18 1.049 1.173 -5.344 91 HB2 LEU 18 1HB LEU 18 0.666 0.464 -7.463 92 HB3 LEU 18 2HB LEU 18 -0.989 -0.030 -7.114 93 HG LEU 18 HG LEU 18 -1.517 2.486 -7.076 94 HD11 LEU 18 1HD1 LEU 18 0.375 3.713 -7.142 95 HD12 LEU 18 2HD1 LEU 18 0.188 3.501 -8.882 96 HD13 LEU 18 3HD1 LEU 18 1.291 2.461 -7.981 97 HD21 LEU 18 3HD2 LEU 18 -2.311 2.255 -9.175 98 HD22 LEU 18 1HD2 LEU 18 -1.763 0.591 -8.973 99 HD23 LEU 18 2HD2 LEU 18 -0.750 1.755 -9.827 100 H LEU 19 H LEU 19 -2.423 0.757 -4.811 101 HA LEU 19 HA LEU 19 -3.120 3.475 -4.746 102 HB2 LEU 19 1HB LEU 19 -4.350 1.082 -3.394 103 HB3 LEU 19 2HB LEU 19 -5.078 2.687 -3.393 104 HG LEU 19 HG LEU 19 -4.465 1.201 -5.935 105 HD11 LEU 19 1HD1 LEU 19 -7.031 0.804 -5.830 106 HD12 LEU 19 2HD1 LEU 19 -6.800 0.960 -4.089 107 HD13 LEU 19 3HD1 LEU 19 -5.941 -0.293 -4.983 108 HD21 LEU 19 3HD2 LEU 19 -5.192 3.809 -5.462 109 HD22 LEU 19 1HD2 LEU 19 -6.731 3.026 -5.817 110 HD23 LEU 19 2HD2 LEU 19 -5.407 2.934 -6.979 111 H LEU 20 H LEU 20 -2.045 1.273 -2.195 112 HA LEU 20 HA LEU 20 -2.447 2.867 0.028 113 HB2 LEU 20 1HB LEU 20 -1.599 0.469 -0.110 114 HB3 LEU 20 2HB LEU 20 0.002 1.166 -0.351 115 HG LEU 20 HG LEU 20 -0.118 2.225 1.845 116 HD11 LEU 20 1HD1 LEU 20 -2.880 1.073 1.826 117 HD12 LEU 20 2HD1 LEU 20 -2.351 2.702 2.246 118 HD13 LEU 20 3HD1 LEU 20 -2.032 1.361 3.346 119 HD21 LEU 20 3HD2 LEU 20 -0.275 -0.672 1.420 120 HD22 LEU 20 1HD2 LEU 20 -0.594 -0.153 3.075 121 HD23 LEU 20 2HD2 LEU 20 0.923 0.288 2.291 122 H ILE 21 H ILE 21 0.331 2.813 -2.176 123 HA ILE 21 HA ILE 21 1.851 4.756 -0.795 124 HB ILE 21 HB ILE 21 1.930 3.984 -3.714 125 HG12 ILE 21 1HG1 ILE 21 3.782 3.132 -1.487 126 HG13 ILE 21 2HG1 ILE 21 2.378 2.189 -1.976 127 HG21 ILE 21 1HG2 ILE 21 4.413 4.959 -2.663 128 HG22 ILE 21 2HG2 ILE 21 3.480 5.538 -4.042 129 HG23 ILE 21 3HG2 ILE 21 3.144 6.160 -2.427 130 HD11 ILE 21 3HD1 ILE 21 3.300 1.906 -4.188 131 HD12 ILE 21 1HD1 ILE 21 4.672 2.934 -3.774 132 HD13 ILE 21 2HD1 ILE 21 4.463 1.377 -2.973 133 H ASP 22 H ASP 22 0.089 5.088 -3.883 134 HA ASP 22 HA ASP 22 0.279 7.799 -4.214 135 HB2 ASP 22 1HB ASP 22 -0.928 5.907 -5.624 136 HB3 ASP 22 2HB ASP 22 -2.358 6.529 -4.804 137 H ALA 23 H ALA 23 -1.914 6.034 -2.109 138 HA ALA 23 HA ALA 23 -3.482 8.314 -1.388 139 HB1 ALA 23 3HB ALA 23 -4.246 5.926 -1.262 140 HB2 ALA 23 1HB ALA 23 -3.218 5.745 0.160 141 HB3 ALA 23 2HB ALA 23 -4.560 6.890 0.180 142 H CYS 24 H CYS 24 -0.941 6.456 0.279 143 HA CYS 24 HA CYS 24 -0.816 7.877 2.638 144 HB2 CYS 24 1HB CYS 24 1.214 6.837 3.026 145 HB3 CYS 24 2HB CYS 24 0.519 5.783 1.801 146 HG CYS 24 HG CYS 24 2.081 7.940 0.058 147 H GLU 25 H GLU 25 0.444 8.727 -0.515 148 HA GLU 25 HA GLU 25 1.805 11.074 0.552 149 HB2 GLU 25 1HB GLU 25 2.901 11.246 -1.482 150 HB3 GLU 25 2HB GLU 25 2.666 9.509 -1.346 151 HG2 GLU 25 1HG GLU 25 0.712 9.655 -2.801 152 HG3 GLU 25 2HG GLU 25 0.944 11.398 -2.937 153 H THR 26 H THR 26 -0.860 10.265 -1.637 154 HA THR 26 HA THR 26 -1.549 12.964 -2.217 155 HB THR 26 HB THR 26 -3.123 10.401 -2.507 156 HG1 THR 26 HG1 THR 26 -1.187 10.916 -3.860 157 HG21 THR 26 3HG2 THR 26 -4.716 11.642 -3.841 158 HG22 THR 26 1HG2 THR 26 -3.809 13.134 -3.594 159 HG23 THR 26 2HG2 THR 26 -4.619 12.359 -2.233 160 H LEU 27 H LEU 27 -3.486 10.548 -0.446 161 HA LEU 27 HA LEU 27 -5.069 12.528 0.835 162 HB2 LEU 27 1HB LEU 27 -4.705 9.632 1.586 163 HB3 LEU 27 2HB LEU 27 -6.020 10.688 2.098 164 HG LEU 27 HG LEU 27 -5.507 9.735 -0.719 165 HD11 LEU 27 1HD1 LEU 27 -7.943 8.811 -0.056 166 HD12 LEU 27 2HD1 LEU 27 -7.146 8.734 1.515 167 HD13 LEU 27 3HD1 LEU 27 -6.457 7.880 0.135 168 HD21 LEU 27 3HD2 LEU 27 -6.492 12.018 -0.538 169 HD22 LEU 27 1HD2 LEU 27 -7.838 11.313 0.358 170 HD23 LEU 27 2HD2 LEU 27 -7.548 10.836 -1.315 171 H GLY 28 H GLY 28 -2.388 10.472 1.929 172 HA2 GLY 28 1HA GLY 28 -0.729 11.312 3.442 173 HA3 GLY 28 2HA GLY 28 -1.945 12.384 4.120 174 H LEU 29 H LEU 29 -0.105 9.953 4.986 175 HA LEU 29 HA LEU 29 -1.793 7.970 6.017 176 HB2 LEU 29 1HB LEU 29 0.870 8.939 7.044 177 HB3 LEU 29 2HB LEU 29 0.078 7.446 7.540 178 HG LEU 29 HG LEU 29 0.678 7.865 4.648 179 HD11 LEU 29 1HD1 LEU 29 2.703 8.380 6.245 180 HD12 LEU 29 2HD1 LEU 29 2.910 7.394 4.798 181 HD13 LEU 29 3HD1 LEU 29 2.757 6.622 6.376 182 HD21 LEU 29 3HD2 LEU 29 0.570 5.571 4.524 183 HD22 LEU 29 1HD2 LEU 29 -0.594 5.900 5.808 184 HD23 LEU 29 2HD2 LEU 29 1.032 5.347 6.212 185 H GLY 30 H GLY 30 -1.427 11.208 6.935 186 HA2 GLY 30 1HA GLY 30 -1.708 11.252 9.673 187 HA3 GLY 30 2HA GLY 30 -2.441 12.432 8.596 188 H ASN 31 H ASN 31 -4.161 10.522 7.261 189 HA ASN 31 HA ASN 31 -5.954 9.713 9.444 190 HB2 ASN 31 1HB ASN 31 -6.574 11.961 8.377 191 HB3 ASN 31 2HB ASN 31 -6.987 11.032 6.938 192 HD21 ASN 31 1HD2 ASN 31 -9.023 10.464 6.779 193 HD22 ASN 31 2HD2 ASN 31 -10.129 10.246 8.088 194 H TRP 32 H TRP 32 -5.340 7.559 9.074 195 HA TRP 32 HA TRP 32 -5.252 6.236 6.638 196 HB2 TRP 32 1HB TRP 32 -6.010 5.203 9.376 197 HB3 TRP 32 2HB TRP 32 -5.727 4.163 7.982 198 HD1 TRP 32 HD1 TRP 32 -3.921 6.088 10.672 199 HE1 TRP 32 HE1 TRP 32 -1.388 5.686 10.460 200 HE3 TRP 32 HE3 TRP 32 -3.852 3.724 6.139 201 HZ2 TRP 32 HZ2 TRP 32 0.403 4.522 8.615 202 HZ3 TRP 32 HZ3 TRP 32 -1.687 2.999 5.221 203 HH2 TRP 32 HH2 TRP 32 0.395 3.391 6.434 204 H ALA 33 H ALA 33 -8.007 6.927 8.723 205 HA ALA 33 HA ALA 33 -9.990 5.354 7.772 206 HB1 ALA 33 3HB ALA 33 -11.037 6.703 9.199 207 HB2 ALA 33 1HB ALA 33 -9.857 7.992 8.957 208 HB3 ALA 33 2HB ALA 33 -11.229 7.833 7.858 209 H ASP 34 H ASP 34 -8.662 8.202 6.154 210 HA ASP 34 HA ASP 34 -10.501 8.066 3.956 211 HB2 ASP 34 1HB ASP 34 -8.083 9.696 4.617 212 HB3 ASP 34 2HB ASP 34 -8.652 9.656 2.950 213 H ILE 35 H ILE 35 -7.095 7.199 4.445 214 HA ILE 35 HA ILE 35 -6.489 6.381 1.858 215 HB ILE 35 HB ILE 35 -5.448 5.263 4.463 216 HG12 ILE 35 1HG1 ILE 35 -4.164 7.277 2.615 217 HG13 ILE 35 2HG1 ILE 35 -5.150 7.738 3.998 218 HG21 ILE 35 1HG2 ILE 35 -3.521 5.048 2.429 219 HG22 ILE 35 2HG2 ILE 35 -4.367 3.744 3.261 220 HG23 ILE 35 3HG2 ILE 35 -5.024 4.407 1.765 221 HD11 ILE 35 3HD1 ILE 35 -3.554 7.180 5.494 222 HD12 ILE 35 1HD1 ILE 35 -2.934 5.855 4.509 223 HD13 ILE 35 2HD1 ILE 35 -2.507 7.521 4.117 224 H ALA 36 H ALA 36 -8.049 4.619 4.486 225 HA ALA 36 HA ALA 36 -8.033 2.056 3.400 226 HB1 ALA 36 3HB ALA 36 -10.178 3.319 5.103 227 HB2 ALA 36 1HB ALA 36 -9.933 1.590 4.853 228 HB3 ALA 36 2HB ALA 36 -8.712 2.542 5.698 229 H ASP 37 H ASP 37 -10.486 4.613 3.058 230 HA ASP 37 HA ASP 37 -12.176 3.128 1.339 231 HB2 ASP 37 1HB ASP 37 -12.795 5.189 2.691 232 HB3 ASP 37 2HB ASP 37 -11.982 6.138 1.449 233 H TYR 38 H TYR 38 -9.229 4.787 0.825 234 HA TYR 38 HA TYR 38 -9.664 5.124 -2.030 235 HB2 TYR 38 1HB TYR 38 -8.410 6.811 -0.649 236 HB3 TYR 38 2HB TYR 38 -7.132 5.616 -0.454 237 HD1 TYR 38 HD1 TYR 38 -5.861 4.842 -2.463 238 HD2 TYR 38 HD2 TYR 38 -8.603 8.091 -2.638 239 HE1 TYR 38 HE1 TYR 38 -4.845 5.578 -4.578 240 HE2 TYR 38 HE2 TYR 38 -7.595 8.835 -4.754 241 HH TYR 38 HH TYR 38 -4.967 8.373 -5.802 242 H VAL 39 H VAL 39 -7.970 3.013 0.186 243 HA VAL 39 HA VAL 39 -6.603 1.619 -1.969 244 HB VAL 39 HB VAL 39 -6.638 1.117 1.010 245 HG11 VAL 39 1HG1 VAL 39 -4.799 -0.449 0.590 246 HG12 VAL 39 2HG1 VAL 39 -6.288 -0.967 -0.202 247 HG13 VAL 39 3HG1 VAL 39 -5.001 -0.216 -1.146 248 HG21 VAL 39 3HG2 VAL 39 -4.501 2.112 1.079 249 HG22 VAL 39 1HG2 VAL 39 -4.353 2.101 -0.679 250 HG23 VAL 39 2HG2 VAL 39 -5.493 3.195 0.103 251 H GLY 40 H GLY 40 -8.580 0.456 0.769 252 HA2 GLY 40 1HA GLY 40 -10.235 -1.135 0.863 253 HA3 GLY 40 2HA GLY 40 -10.467 -0.891 -0.862 254 H ASN 41 H ASN 41 -10.337 -2.754 -1.907 255 HA ASN 41 HA ASN 41 -9.709 -4.856 -2.517 256 HB2 ASN 41 1HB ASN 41 -6.943 -4.303 -1.503 257 HB3 ASN 41 2HB ASN 41 -7.445 -5.140 -2.969 258 HD21 ASN 41 1HD2 ASN 41 -6.129 -2.370 -1.794 259 HD22 ASN 41 2HD2 ASN 41 -6.458 -1.310 -3.118 260 H ALA 42 H ALA 42 -10.988 -4.997 -0.203 261 HA ALA 42 HA ALA 42 -11.369 -6.369 1.575 262 HB1 ALA 42 3HB ALA 42 -9.374 -7.794 -0.008 263 HB2 ALA 42 1HB ALA 42 -9.352 -8.220 1.703 264 HB3 ALA 42 2HB ALA 42 -10.840 -8.387 0.772 265 H ARG 43 H ARG 43 -9.652 -3.982 1.773 266 HA ARG 43 HA ARG 43 -8.180 -4.721 4.217 267 HB2 ARG 43 1HB ARG 43 -7.454 -2.445 2.371 268 HB3 ARG 43 2HB ARG 43 -6.528 -3.049 3.738 269 HG2 ARG 43 1HG ARG 43 -7.079 -4.556 1.189 270 HG3 ARG 43 2HG ARG 43 -5.566 -3.751 1.611 271 HD2 ARG 43 1HD ARG 43 -5.193 -5.249 3.431 272 HD3 ARG 43 2HD ARG 43 -6.809 -5.936 3.270 273 HE ARG 43 HE ARG 43 -5.250 -6.246 0.895 274 HH11 ARG 43 1HH1 ARG 43 -5.851 -7.559 4.063 275 HH12 ARG 43 2HH1 ARG 43 -5.329 -9.157 3.643 276 HH21 ARG 43 1HH2 ARG 43 -4.560 -8.346 0.330 277 HH22 ARG 43 2HH2 ARG 43 -4.594 -9.603 1.520 278 H THR 44 H THR 44 -7.642 -2.379 5.335 279 HA THR 44 HA THR 44 -9.712 -0.451 5.275 280 HB THR 44 HB THR 44 -10.967 -2.350 6.314 281 HG1 THR 44 HG1 THR 44 -10.532 -0.142 8.066 282 HG21 THR 44 3HG2 THR 44 -9.267 -1.892 8.751 283 HG22 THR 44 1HG2 THR 44 -8.900 -3.163 7.585 284 HG23 THR 44 2HG2 THR 44 -10.437 -3.177 8.451 285 H LYS 45 H LYS 45 -9.477 1.178 6.966 286 HA LYS 45 HA LYS 45 -7.016 2.170 7.353 287 HB2 LYS 45 1HB LYS 45 -7.845 3.397 9.284 288 HB3 LYS 45 2HB LYS 45 -9.084 3.318 8.039 289 HG2 LYS 45 1HG LYS 45 -9.994 1.308 9.332 290 HG3 LYS 45 2HG LYS 45 -8.955 1.854 10.650 291 HD2 LYS 45 1HD LYS 45 -10.182 3.757 11.010 292 HD3 LYS 45 2HD LYS 45 -10.745 3.839 9.339 293 HE2 LYS 45 1HE LYS 45 -11.639 1.766 11.337 294 HE3 LYS 45 2HE LYS 45 -12.518 3.254 10.992 295 HZ1 LYS 45 3HZ LYS 45 -13.272 2.457 9.049 296 HZ2 LYS 45 1HZ LYS 45 -12.943 0.943 9.729 297 HZ3 LYS 45 2HZ LYS 45 -11.829 1.657 8.675 298 H GLU 46 H GLU 46 -8.600 -0.063 9.630 299 HA GLU 46 HA GLU 46 -6.568 -0.245 11.509 300 HB2 GLU 46 1HB GLU 46 -8.570 -2.315 10.602 301 HB3 GLU 46 2HB GLU 46 -7.515 -2.533 11.991 302 HG2 GLU 46 1HG GLU 46 -8.541 -0.246 12.742 303 HG3 GLU 46 2HG GLU 46 -9.837 -0.708 11.641 304 H GLU 47 H GLU 47 -6.978 -1.976 8.462 305 HA GLU 47 HA GLU 47 -4.577 -3.545 8.906 306 HB2 GLU 47 1HB GLU 47 -6.615 -3.421 6.696 307 HB3 GLU 47 2HB GLU 47 -5.113 -4.314 6.506 308 HG2 GLU 47 1HG GLU 47 -5.670 -5.828 8.211 309 HG3 GLU 47 2HG GLU 47 -6.975 -4.803 8.804 310 H CYS 48 H CYS 48 -5.654 -1.460 6.217 311 HA CYS 48 HA CYS 48 -3.331 -1.110 4.879 312 HB2 CYS 48 1HB CYS 48 -5.553 0.830 5.455 313 HB3 CYS 48 2HB CYS 48 -4.173 1.311 4.475 314 HG CYS 48 HG CYS 48 -5.239 0.497 2.297 315 H ARG 49 H ARG 49 -4.152 0.252 7.983 316 HA ARG 49 HA ARG 49 -2.056 2.171 8.086 317 HB2 ARG 49 1HB ARG 49 -3.898 2.501 9.549 318 HB3 ARG 49 2HB ARG 49 -3.764 0.873 10.201 319 HG2 ARG 49 1HG ARG 49 -1.833 1.414 11.434 320 HG3 ARG 49 2HG ARG 49 -1.605 2.928 10.556 321 HD2 ARG 49 1HD ARG 49 -3.844 3.647 11.509 322 HD3 ARG 49 2HD ARG 49 -3.726 2.248 12.576 323 HE ARG 49 HE ARG 49 -1.383 3.499 12.998 324 HH11 ARG 49 1HH1 ARG 49 -4.678 4.624 12.977 325 HH12 ARG 49 2HH1 ARG 49 -4.396 5.875 14.142 326 HH21 ARG 49 1HH2 ARG 49 -0.999 5.143 14.533 327 HH22 ARG 49 2HH2 ARG 49 -2.303 6.170 15.025 328 H ASP 50 H ASP 50 -2.401 -0.765 10.078 329 HA ASP 50 HA ASP 50 0.279 -0.884 10.857 330 HB2 ASP 50 1HB ASP 50 -1.671 -2.115 11.896 331 HB3 ASP 50 2HB ASP 50 -1.551 -3.270 10.572 332 H HIS 51 H HIS 51 -1.400 -2.686 8.286 333 HA HIS 51 HA HIS 51 0.542 -4.294 7.316 334 HB2 HIS 51 1HB HIS 51 -1.585 -4.302 6.246 335 HB3 HIS 51 2HB HIS 51 -1.438 -2.609 5.785 336 HD1 HIS 51 HD1 HIS 51 0.168 -5.955 4.991 337 HD2 HIS 51 HD2 HIS 51 -0.432 -2.212 3.289 338 HE1 HIS 51 HE1 HIS 51 1.011 -6.146 2.629 339 HE2 HIS 51 HE2 HIS 51 0.717 -3.846 1.646 340 H TYR 52 H TYR 52 0.231 -0.830 6.612 341 HA TYR 52 HA TYR 52 2.482 -0.697 4.894 342 HB2 TYR 52 1HB TYR 52 0.679 0.997 4.913 343 HB3 TYR 52 2HB TYR 52 1.201 1.516 6.512 344 HD1 TYR 52 HD2 TYR 52 3.676 2.306 6.704 345 HD2 TYR 52 HD1 TYR 52 1.547 2.041 3.030 346 HE1 TYR 52 HE2 TYR 52 5.260 3.884 5.679 347 HE2 TYR 52 HE1 TYR 52 3.126 3.617 1.994 348 HH TYR 52 HH TYR 52 4.701 5.310 2.599 349 H LEU 53 H LEU 53 2.072 -0.488 8.353 350 HA LEU 53 HA LEU 53 4.753 0.494 8.809 351 HB2 LEU 53 1HB LEU 53 2.611 -0.490 10.685 352 HB3 LEU 53 2HB LEU 53 4.177 0.126 11.208 353 HG LEU 53 HG LEU 53 2.435 1.858 9.516 354 HD11 LEU 53 1HD1 LEU 53 2.106 1.567 12.497 355 HD12 LEU 53 2HD1 LEU 53 0.978 0.938 11.296 356 HD13 LEU 53 3HD1 LEU 53 1.241 2.677 11.432 357 HD21 LEU 53 3HD2 LEU 53 4.742 2.121 11.324 358 HD22 LEU 53 1HD2 LEU 53 3.530 3.397 11.446 359 HD23 LEU 53 2HD2 LEU 53 4.301 3.059 9.896 360 H LYS 54 H LYS 54 3.369 -2.484 8.143 361 HA LYS 54 HA LYS 54 5.421 -3.983 9.606 362 HB2 LYS 54 1HB LYS 54 3.051 -5.032 8.050 363 HB3 LYS 54 2HB LYS 54 4.118 -5.969 9.088 364 HG2 LYS 54 1HG LYS 54 3.317 -4.193 10.883 365 HG3 LYS 54 2HG LYS 54 1.926 -4.106 9.799 366 HD2 LYS 54 1HD LYS 54 1.364 -5.765 11.361 367 HD3 LYS 54 2HD LYS 54 1.886 -6.657 9.930 368 HE2 LYS 54 1HE LYS 54 4.141 -6.862 10.959 369 HE3 LYS 54 2HE LYS 54 3.501 -6.106 12.417 370 HZ1 LYS 54 3HZ LYS 54 1.738 -8.062 12.069 371 HZ2 LYS 54 1HZ LYS 54 3.144 -8.237 12.994 372 HZ3 LYS 54 2HZ LYS 54 3.107 -8.797 11.399 373 H THR 55 H THR 55 4.762 -2.718 6.543 374 HA THR 55 HA THR 55 6.631 -4.603 5.264 375 HB THR 55 HB THR 55 4.544 -2.823 3.990 376 HG1 THR 55 HG1 THR 55 3.545 -4.624 4.779 377 HG21 THR 55 3HG2 THR 55 6.630 -3.072 2.641 378 HG22 THR 55 1HG2 THR 55 5.198 -3.755 1.874 379 HG23 THR 55 2HG2 THR 55 6.372 -4.816 2.651 380 H TYR 56 H TYR 56 5.653 -1.175 5.061 381 HA TYR 56 HA TYR 56 8.058 -0.341 3.816 382 HB2 TYR 56 1HB TYR 56 5.931 1.212 5.298 383 HB3 TYR 56 2HB TYR 56 7.269 1.964 4.437 384 HD1 TYR 56 HD1 TYR 56 4.298 -0.213 3.982 385 HD2 TYR 56 HD2 TYR 56 7.154 2.329 2.115 386 HE1 TYR 56 HE1 TYR 56 2.986 -0.277 1.903 387 HE2 TYR 56 HE2 TYR 56 5.849 2.273 0.031 388 HH TYR 56 HH TYR 56 4.198 0.823 -1.069 389 H ILE 57 H ILE 57 6.863 0.370 7.104 390 HA ILE 57 HA ILE 57 9.318 1.364 8.054 391 HB ILE 57 HB ILE 57 6.963 0.220 9.553 392 HG12 ILE 57 1HG1 ILE 57 6.420 2.243 8.343 393 HG13 ILE 57 2HG1 ILE 57 6.535 2.625 10.057 394 HG21 ILE 57 1HG2 ILE 57 9.579 1.231 10.498 395 HG22 ILE 57 2HG2 ILE 57 8.148 1.745 11.391 396 HG23 ILE 57 3HG2 ILE 57 8.503 0.028 11.208 397 HD11 ILE 57 3HD1 ILE 57 7.752 4.349 9.299 398 HD12 ILE 57 1HD1 ILE 57 9.052 3.158 9.291 399 HD13 ILE 57 2HD1 ILE 57 8.184 3.527 7.800 400 H GLU 58 H GLU 58 7.736 -1.735 8.862 401 HA GLU 58 HA GLU 58 10.269 -2.795 9.808 402 HB2 GLU 58 1HB GLU 58 7.997 -3.165 10.930 403 HB3 GLU 58 2HB GLU 58 7.664 -4.295 9.625 404 HG2 GLU 58 1HG GLU 58 10.162 -4.584 11.228 405 HG3 GLU 58 2HG GLU 58 8.625 -5.145 11.885
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