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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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6238 |
1ioh ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -0.850 -0.193 1.943 2 2H GLY 1 2H GLY 1 0.713 -0.160 2.606 3 3H GLY 1 3H GLY 1 -0.589 0.512 3.467 4 1HA GLY 1 1HA GLY 1 -0.795 2.317 2.015 5 2HA GLY 1 2HA GLY 1 0.936 2.138 2.306 6 H ILE 2 H ILE 2 -0.145 3.360 -0.039 7 HA ILE 2 HA ILE 2 0.619 1.335 -2.108 8 HB ILE 2 HB ILE 2 -1.036 3.768 -2.728 9 1HG1 ILE 2 1HG1 ILE 2 -1.974 1.142 -1.540 10 2HG1 ILE 2 2HG1 ILE 2 -2.284 2.769 -0.932 11 1HG2 ILE 2 1HG2 ILE 2 0.030 2.171 -4.450 12 2HG2 ILE 2 2HG2 ILE 2 -1.160 0.989 -3.903 13 3HG2 ILE 2 3HG2 ILE 2 -1.692 2.507 -4.627 14 1HD1 ILE 2 1HD1 ILE 2 -3.484 3.236 -3.125 15 2HD1 ILE 2 2HD1 ILE 2 -3.371 1.508 -3.459 16 3HD1 ILE 2 3HD1 ILE 2 -4.284 2.078 -2.062 17 H VAL 3 H VAL 3 0.730 4.795 -1.243 18 HA VAL 3 HA VAL 3 2.754 5.315 -3.308 19 HB VAL 3 HB VAL 3 1.610 7.057 -1.106 20 1HG1 VAL 3 1HG1 VAL 3 3.645 7.575 -3.272 21 2HG1 VAL 3 2HG1 VAL 3 2.653 8.881 -2.623 22 3HG1 VAL 3 3HG1 VAL 3 3.734 7.984 -1.558 23 1HG2 VAL 3 1HG2 VAL 3 1.117 6.851 -4.091 24 2HG2 VAL 3 2HG2 VAL 3 -0.042 6.542 -2.798 25 3HG2 VAL 3 3HG2 VAL 3 0.531 8.183 -3.094 26 H GLU 4 H GLU 4 2.772 4.104 -0.142 27 HA GLU 4 HA GLU 4 5.483 5.165 0.442 28 1HB GLU 4 1HB GLU 4 4.143 3.167 2.206 29 2HB GLU 4 2HB GLU 4 5.128 4.561 2.644 30 1HG GLU 4 1HG GLU 4 3.214 6.009 1.761 31 2HG GLU 4 2HG GLU 4 2.242 4.537 1.745 32 H GLN 5 H GLN 5 3.997 2.472 -1.010 33 HA GLN 5 HA GLN 5 6.513 0.887 -0.675 34 1HB GLN 5 1HB GLN 5 3.680 0.133 -0.456 35 2HB GLN 5 2HB GLN 5 4.604 -0.918 -1.531 36 1HG GLN 5 1HG GLN 5 4.643 -1.695 0.842 37 2HG GLN 5 2HG GLN 5 6.252 -1.329 0.217 38 1HE2 GLN 5 2HE2 GLN 5 3.565 0.446 1.872 39 2HE2 GLN 5 1HE2 GLN 5 4.592 1.331 2.893 40 H CYS 6 H CYS 6 4.350 2.452 -2.839 41 HA CYS 6 HA CYS 6 5.521 1.025 -5.176 42 1HB CYS 6 1HB CYS 6 3.185 2.947 -5.018 43 2HB CYS 6 2HB CYS 6 3.678 2.032 -6.445 44 H CYS 7 H CYS 7 5.085 4.242 -3.742 45 HA CYS 7 HA CYS 7 6.722 5.444 -5.896 46 1HB CYS 7 1HB CYS 7 5.352 6.686 -3.492 47 2HB CYS 7 2HB CYS 7 6.228 7.587 -4.728 48 H HIS 8 H HIS 8 6.856 4.857 -2.374 49 HA HIS 8 HA HIS 8 9.479 6.070 -2.089 50 1HB HIS 8 1HB HIS 8 7.980 4.101 -0.338 51 2HB HIS 8 2HB HIS 8 9.485 4.895 0.121 52 HD1 HIS 8 HD1 HIS 8 7.916 5.943 2.087 53 HD2 HIS 8 HD2 HIS 8 7.164 7.285 -1.788 54 HE1 HIS 8 HE1 HIS 8 6.569 8.076 2.315 55 H SER 9 H SER 9 8.292 2.959 -3.076 56 HA SER 9 HA SER 9 11.073 2.113 -3.627 57 1HB SER 9 1HB SER 9 11.072 0.234 -2.302 58 2HB SER 9 2HB SER 9 9.990 1.220 -1.322 59 HG SER 9 HG SER 9 9.223 -0.942 -1.879 60 H ILE 10 H ILE 10 10.219 -0.601 -4.288 61 HA ILE 10 HA ILE 10 8.745 0.071 -6.787 62 HB ILE 10 HB ILE 10 10.289 -2.456 -6.158 63 1HG1 ILE 10 1HG1 ILE 10 12.112 -1.062 -6.221 64 2HG1 ILE 10 2HG1 ILE 10 11.855 -1.168 -7.960 65 1HG2 ILE 10 1HG2 ILE 10 9.289 -1.216 -8.732 66 2HG2 ILE 10 2HG2 ILE 10 10.294 -2.660 -8.633 67 3HG2 ILE 10 3HG2 ILE 10 8.667 -2.673 -7.958 68 1HD1 ILE 10 1HD1 ILE 10 10.230 0.883 -7.508 69 2HD1 ILE 10 2HD1 ILE 10 11.255 1.091 -6.088 70 3HD1 ILE 10 3HD1 ILE 10 11.964 1.130 -7.702 71 H CYS 11 H CYS 11 6.836 -0.965 -7.310 72 HA CYS 11 HA CYS 11 5.708 -2.769 -5.206 73 1HB CYS 11 1HB CYS 11 4.552 -0.565 -6.835 74 2HB CYS 11 2HB CYS 11 3.522 -1.975 -6.587 75 H SER 12 H SER 12 5.255 -4.831 -5.855 76 HA SER 12 HA SER 12 5.708 -5.557 -8.667 77 1HB SER 12 1HB SER 12 4.767 -7.827 -7.408 78 2HB SER 12 2HB SER 12 6.463 -7.370 -7.530 79 HG SER 12 HG SER 12 4.634 -6.902 -5.420 80 H LEU 13 H LEU 13 3.090 -6.578 -6.475 81 HA LEU 13 HA LEU 13 0.949 -5.348 -7.867 82 1HB LEU 13 1HB LEU 13 2.038 -7.702 -9.180 83 2HB LEU 13 2HB LEU 13 0.353 -7.953 -8.718 84 HG LEU 13 HG LEU 13 1.407 -5.570 -10.269 85 1HD1 LEU 13 1HD1 LEU 13 0.800 -8.189 -11.138 86 2HD1 LEU 13 2HD1 LEU 13 -0.572 -7.188 -11.615 87 3HD1 LEU 13 3HD1 LEU 13 1.056 -6.764 -12.146 88 1HD2 LEU 13 1HD2 LEU 13 -1.238 -6.296 -9.075 89 2HD2 LEU 13 2HD2 LEU 13 -0.473 -4.714 -9.222 90 3HD2 LEU 13 3HD2 LEU 13 -1.231 -5.460 -10.629 91 H TYR 14 H TYR 14 2.037 -8.248 -6.138 92 HA TYR 14 HA TYR 14 -0.440 -9.002 -4.981 93 1HB TYR 14 1HB TYR 14 2.433 -9.371 -4.308 94 2HB TYR 14 2HB TYR 14 1.291 -9.590 -2.981 95 HD1 TYR 14 HD1 TYR 14 0.688 -10.248 -6.596 96 HD2 TYR 14 HD2 TYR 14 1.317 -11.954 -2.703 97 HE1 TYR 14 HE1 TYR 14 0.084 -12.485 -7.479 98 HE2 TYR 14 HE2 TYR 14 0.712 -14.191 -3.587 99 HH TYR 14 HH TYR 14 -0.526 -14.601 -6.861 100 H GLN 15 H GLN 15 1.680 -6.323 -4.358 101 HA GLN 15 HA GLN 15 0.681 -5.656 -1.730 102 1HB GLN 15 1HB GLN 15 1.850 -3.741 -3.764 103 2HB GLN 15 2HB GLN 15 1.864 -3.584 -2.008 104 1HG GLN 15 1HG GLN 15 3.058 -6.088 -3.015 105 2HG GLN 15 2HG GLN 15 3.929 -4.626 -3.479 106 1HE2 GLN 15 2HE2 GLN 15 4.745 -6.704 -1.470 107 2HE2 GLN 15 1HE2 GLN 15 4.948 -5.868 -0.008 108 H LEU 16 H LEU 16 -0.204 -4.725 -5.041 109 HA LEU 16 HA LEU 16 -2.324 -2.932 -4.059 110 1HB LEU 16 1HB LEU 16 -1.950 -3.865 -6.907 111 2HB LEU 16 2HB LEU 16 -2.684 -2.367 -6.337 112 HG LEU 16 HG LEU 16 0.221 -3.051 -5.848 113 1HD1 LEU 16 1HD1 LEU 16 -0.766 -2.710 -8.343 114 2HD1 LEU 16 2HD1 LEU 16 -0.532 -1.023 -7.885 115 3HD1 LEU 16 3HD1 LEU 16 0.832 -2.140 -7.861 116 1HD2 LEU 16 1HD2 LEU 16 -1.497 -1.077 -4.827 117 2HD2 LEU 16 2HD2 LEU 16 0.263 -1.095 -4.722 118 3HD2 LEU 16 3HD2 LEU 16 -0.533 -0.252 -6.051 119 H GLU 17 H GLU 17 -2.059 -6.191 -4.157 120 HA GLU 17 HA GLU 17 -4.638 -6.856 -5.361 121 1HB GLU 17 1HB GLU 17 -2.325 -8.281 -4.569 122 2HB GLU 17 2HB GLU 17 -3.649 -8.895 -3.577 123 1HG GLU 17 1HG GLU 17 -4.814 -8.680 -6.076 124 2HG GLU 17 2HG GLU 17 -3.175 -9.210 -6.456 125 H ASN 18 H ASN 18 -3.636 -5.586 -2.376 126 HA ASN 18 HA ASN 18 -5.997 -6.704 -0.948 127 1HB ASN 18 1HB ASN 18 -4.263 -4.806 0.500 128 2HB ASN 18 2HB ASN 18 -4.852 -6.392 0.995 129 1HD2 ASN 18 2HD2 ASN 18 -2.037 -4.755 0.193 130 2HD2 ASN 18 1HD2 ASN 18 -1.082 -6.078 -0.271 131 H TYR 19 H TYR 19 -5.062 -3.983 -2.733 132 HA TYR 19 HA TYR 19 -6.834 -2.121 -1.277 133 1HB TYR 19 1HB TYR 19 -5.435 -1.604 -3.906 134 2HB TYR 19 2HB TYR 19 -5.981 -0.426 -2.712 135 HD1 TYR 19 HD1 TYR 19 -5.010 -2.286 -0.330 136 HD2 TYR 19 HD2 TYR 19 -3.132 -0.692 -3.849 137 HE1 TYR 19 HE1 TYR 19 -2.804 -2.398 0.798 138 HE2 TYR 19 HE2 TYR 19 -0.926 -0.804 -2.721 139 HH TYR 19 HH TYR 19 0.023 -2.354 -0.691 140 H CYS 20 H CYS 20 -7.411 -4.604 -3.292 141 HA CYS 20 HA CYS 20 -9.274 -3.253 -5.126 142 1HB CYS 20 1HB CYS 20 -8.106 -5.161 -6.019 143 2HB CYS 20 2HB CYS 20 -8.584 -6.164 -4.649 144 H ASN 21 H ASN 21 -11.202 -2.602 -4.299 145 HA ASN 21 HA ASN 21 -12.327 -3.531 -1.853 146 1HB ASN 21 1HB ASN 21 -14.307 -2.288 -2.483 147 2HB ASN 21 2HB ASN 21 -12.905 -1.377 -3.044 148 1HD2 ASN 21 2HD2 ASN 21 -15.653 -1.349 -4.155 149 2HD2 ASN 21 1HD2 ASN 21 -15.511 -1.820 -5.780 150 1H GLU 1 1H GLU 1 15.042 -5.284 -13.000 151 2H GLU 1 2H GLU 1 15.210 -6.160 -11.553 152 3H GLU 1 3H GLU 1 16.164 -6.556 -12.898 153 HA GLU 1 HA GLU 1 14.397 -7.488 -14.062 154 1HB GLU 1 1HB GLU 1 14.940 -8.294 -11.378 155 2HB GLU 1 2HB GLU 1 13.212 -8.498 -11.660 156 1HG GLU 1 1HG GLU 1 14.306 -10.539 -12.345 157 2HG GLU 1 2HG GLU 1 13.785 -9.697 -13.805 158 H VAL 2 H VAL 2 13.184 -5.471 -14.658 159 HA VAL 2 HA VAL 2 11.259 -4.105 -14.633 160 HB VAL 2 HB VAL 2 9.993 -6.706 -13.729 161 1HG1 VAL 2 1HG1 VAL 2 9.020 -4.145 -14.945 162 2HG1 VAL 2 2HG1 VAL 2 8.209 -5.651 -15.381 163 3HG1 VAL 2 3HG1 VAL 2 8.277 -5.141 -13.694 164 1HG2 VAL 2 1HG2 VAL 2 11.620 -6.669 -15.803 165 2HG2 VAL 2 2HG2 VAL 2 10.057 -7.473 -15.935 166 3HG2 VAL 2 3HG2 VAL 2 10.274 -5.853 -16.597 167 H ASN 3 H ASN 3 12.544 -3.435 -12.410 168 HA ASN 3 HA ASN 3 10.398 -3.419 -10.332 169 1HB ASN 3 1HB ASN 3 13.263 -4.191 -10.088 170 2HB ASN 3 2HB ASN 3 12.602 -3.196 -8.789 171 1HD2 ASN 3 2HD2 ASN 3 12.814 -6.408 -9.956 172 2HD2 ASN 3 1HD2 ASN 3 11.626 -7.096 -8.958 173 H GLN 4 H GLN 4 9.696 -1.314 -10.562 174 HA GLN 4 HA GLN 4 11.675 0.811 -9.980 175 1HB GLN 4 1HB GLN 4 11.244 0.371 -12.564 176 2HB GLN 4 2HB GLN 4 9.793 1.324 -12.248 177 1HG GLN 4 1HG GLN 4 11.988 2.614 -10.953 178 2HG GLN 4 2HG GLN 4 12.470 2.258 -12.613 179 1HE2 GLN 4 2HE2 GLN 4 11.408 4.819 -11.068 180 2HE2 GLN 4 1HE2 GLN 4 10.265 5.446 -12.153 181 H HIS 5 H HIS 5 10.707 2.716 -9.145 182 HA HIS 5 HA HIS 5 8.395 2.344 -7.562 183 1HB HIS 5 1HB HIS 5 9.347 5.047 -8.494 184 2HB HIS 5 2HB HIS 5 8.631 4.609 -6.939 185 HD1 HIS 5 HD1 HIS 5 11.837 4.518 -8.852 186 HD2 HIS 5 HD2 HIS 5 10.408 3.254 -5.154 187 HE1 HIS 5 HE1 HIS 5 13.852 3.812 -7.506 188 H LEU 6 H LEU 6 6.276 2.291 -8.184 189 HA LEU 6 HA LEU 6 5.548 3.385 -10.841 190 1HB LEU 6 1HB LEU 6 4.340 1.424 -8.943 191 2HB LEU 6 2HB LEU 6 3.234 2.350 -9.956 192 HG LEU 6 HG LEU 6 4.780 1.683 -11.912 193 1HD1 LEU 6 1HD1 LEU 6 6.379 0.695 -9.969 194 2HD1 LEU 6 2HD1 LEU 6 5.437 -0.751 -10.336 195 3HD1 LEU 6 3HD1 LEU 6 6.360 0.048 -11.609 196 1HD2 LEU 6 1HD2 LEU 6 2.499 0.535 -10.783 197 2HD2 LEU 6 2HD2 LEU 6 3.130 0.212 -12.398 198 3HD2 LEU 6 3HD2 LEU 6 3.577 -0.834 -11.050 199 H CYS 7 H CYS 7 5.667 5.658 -10.250 200 HA CYS 7 HA CYS 7 3.421 6.506 -8.461 201 1HB CYS 7 1HB CYS 7 6.057 6.935 -7.929 202 2HB CYS 7 2HB CYS 7 5.673 8.389 -8.851 203 H GLY 8 H GLY 8 2.211 8.321 -9.152 204 1HA GLY 8 1HA GLY 8 1.875 10.216 -10.681 205 2HA GLY 8 2HA GLY 8 2.846 9.359 -11.879 206 H SER 9 H SER 9 1.891 7.276 -12.699 207 HA SER 9 HA SER 9 -1.049 7.069 -12.422 208 1HB SER 9 1HB SER 9 -1.465 7.236 -14.797 209 2HB SER 9 2HB SER 9 -0.562 8.669 -14.315 210 HG SER 9 HG SER 9 0.311 6.371 -15.701 211 H GLU 10 H GLU 10 1.954 5.801 -13.839 212 HA GLU 10 HA GLU 10 1.204 3.351 -14.841 213 1HB GLU 10 1HB GLU 10 3.376 2.480 -13.695 214 2HB GLU 10 2HB GLU 10 3.511 3.787 -14.870 215 1HG GLU 10 1HG GLU 10 2.957 4.886 -12.265 216 2HG GLU 10 2HG GLU 10 4.362 3.823 -12.180 217 H LEU 11 H LEU 11 1.331 4.265 -11.426 218 HA LEU 11 HA LEU 11 0.924 1.640 -10.356 219 1HB LEU 11 1HB LEU 11 1.653 3.527 -8.955 220 2HB LEU 11 2HB LEU 11 0.103 4.330 -9.218 221 HG LEU 11 HG LEU 11 -0.971 2.191 -8.279 222 1HD1 LEU 11 1HD1 LEU 11 1.913 1.634 -7.977 223 2HD1 LEU 11 2HD1 LEU 11 0.949 1.317 -6.535 224 3HD1 LEU 11 3HD1 LEU 11 0.553 0.515 -8.055 225 1HD2 LEU 11 1HD2 LEU 11 0.069 4.516 -7.045 226 2HD2 LEU 11 2HD2 LEU 11 -1.214 3.469 -6.438 227 3HD2 LEU 11 3HD2 LEU 11 0.460 3.174 -5.969 228 H VAL 12 H VAL 12 -1.409 4.259 -11.078 229 HA VAL 12 HA VAL 12 -3.729 2.790 -10.340 230 HB VAL 12 HB VAL 12 -3.449 5.319 -10.963 231 1HG1 VAL 12 1HG1 VAL 12 -2.846 4.409 -13.417 232 2HG1 VAL 12 2HG1 VAL 12 -4.596 4.521 -13.596 233 3HG1 VAL 12 3HG1 VAL 12 -3.658 5.952 -13.166 234 1HG2 VAL 12 1HG2 VAL 12 -5.540 4.099 -10.235 235 2HG2 VAL 12 2HG2 VAL 12 -5.832 5.478 -11.293 236 3HG2 VAL 12 3HG2 VAL 12 -5.904 3.838 -11.940 237 H GLU 13 H GLU 13 -1.862 2.845 -13.339 238 HA GLU 13 HA GLU 13 -3.774 1.393 -14.923 239 1HB GLU 13 1HB GLU 13 -1.148 2.462 -15.272 240 2HB GLU 13 2HB GLU 13 -1.104 0.762 -15.745 241 1HG GLU 13 1HG GLU 13 -3.136 2.787 -16.732 242 2HG GLU 13 2HG GLU 13 -1.733 2.233 -17.647 243 H ALA 14 H ALA 14 -1.400 0.476 -12.543 244 HA ALA 14 HA ALA 14 -1.761 -2.402 -13.194 245 1HB ALA 14 1HB ALA 14 0.222 -0.807 -11.637 246 2HB ALA 14 2HB ALA 14 -0.108 -2.448 -11.077 247 3HB ALA 14 3HB ALA 14 0.482 -2.179 -12.716 248 H LEU 15 H LEU 15 -3.102 -0.002 -11.235 249 HA LEU 15 HA LEU 15 -3.790 -1.785 -9.000 250 1HB LEU 15 1HB LEU 15 -3.984 1.098 -9.599 251 2HB LEU 15 2HB LEU 15 -5.348 0.449 -8.687 252 HG LEU 15 HG LEU 15 -2.490 -0.136 -7.907 253 1HD1 LEU 15 1HD1 LEU 15 -3.004 2.361 -7.972 254 2HD1 LEU 15 2HD1 LEU 15 -4.224 2.052 -6.737 255 3HD1 LEU 15 3HD1 LEU 15 -2.524 1.725 -6.398 256 1HD2 LEU 15 1HD2 LEU 15 -5.130 -0.151 -6.405 257 2HD2 LEU 15 2HD2 LEU 15 -4.272 -1.579 -6.986 258 3HD2 LEU 15 3HD2 LEU 15 -3.562 -0.577 -5.719 259 H GLU 16 H GLU 16 -5.255 -0.499 -11.925 260 HA GLU 16 HA GLU 16 -7.901 -1.588 -11.201 261 1HB GLU 16 1HB GLU 16 -8.593 -0.681 -13.407 262 2HB GLU 16 2HB GLU 16 -7.801 0.546 -12.417 263 1HG GLU 16 1HG GLU 16 -5.728 0.287 -13.623 264 2HG GLU 16 2HG GLU 16 -6.350 -1.119 -14.489 265 H LEU 17 H LEU 17 -5.091 -2.916 -12.296 266 HA LEU 17 HA LEU 17 -6.424 -4.778 -14.196 267 1HB LEU 17 1HB LEU 17 -3.713 -3.744 -13.869 268 2HB LEU 17 2HB LEU 17 -3.738 -5.503 -14.003 269 HG LEU 17 HG LEU 17 -5.382 -5.083 -15.988 270 1HD1 LEU 17 1HD1 LEU 17 -5.431 -2.571 -15.331 271 2HD1 LEU 17 2HD1 LEU 17 -3.862 -2.483 -16.132 272 3HD1 LEU 17 3HD1 LEU 17 -5.290 -2.975 -17.042 273 1HD2 LEU 17 1HD2 LEU 17 -2.404 -4.536 -16.037 274 2HD2 LEU 17 2HD2 LEU 17 -3.232 -6.050 -16.401 275 3HD2 LEU 17 3HD2 LEU 17 -3.364 -4.684 -17.509 276 H VAL 18 H VAL 18 -5.217 -4.554 -10.964 277 HA VAL 18 HA VAL 18 -5.174 -7.507 -10.672 278 HB VAL 18 HB VAL 18 -4.800 -6.258 -8.146 279 1HG1 VAL 18 1HG1 VAL 18 -3.800 -8.373 -9.044 280 2HG1 VAL 18 2HG1 VAL 18 -2.740 -7.392 -10.056 281 3HG1 VAL 18 3HG1 VAL 18 -2.614 -7.303 -8.299 282 1HG2 VAL 18 1HG2 VAL 18 -4.326 -4.159 -9.370 283 2HG2 VAL 18 2HG2 VAL 18 -2.867 -4.795 -8.610 284 3HG2 VAL 18 3HG2 VAL 18 -3.122 -5.004 -10.343 285 H CYS 19 H CYS 19 -7.202 -4.761 -10.002 286 HA CYS 19 HA CYS 19 -8.856 -6.276 -8.086 287 1HB CYS 19 1HB CYS 19 -8.448 -3.781 -7.890 288 2HB CYS 19 2HB CYS 19 -9.452 -3.576 -9.325 289 H GLY 20 H GLY 20 -9.724 -4.470 -11.061 290 1HA GLY 20 1HA GLY 20 -10.649 -5.956 -12.931 291 2HA GLY 20 2HA GLY 20 -11.633 -6.693 -11.665 292 H GLU 21 H GLU 21 -13.662 -6.054 -12.409 293 HA GLU 21 HA GLU 21 -14.128 -3.212 -13.056 294 1HB GLU 21 1HB GLU 21 -15.751 -5.738 -13.243 295 2HB GLU 21 2HB GLU 21 -16.560 -4.172 -13.302 296 1HG GLU 21 1HG GLU 21 -15.794 -3.729 -15.389 297 2HG GLU 21 2HG GLU 21 -14.175 -4.318 -15.013 298 H ARG 22 H ARG 22 -13.405 -4.010 -10.292 299 HA ARG 22 HA ARG 22 -15.945 -3.440 -8.843 300 1HB ARG 22 1HB ARG 22 -13.242 -4.243 -7.725 301 2HB ARG 22 2HB ARG 22 -14.763 -4.156 -6.835 302 1HG ARG 22 1HG ARG 22 -14.354 -5.948 -9.241 303 2HG ARG 22 2HG ARG 22 -14.100 -6.488 -7.581 304 1HD ARG 22 1HD ARG 22 -16.466 -5.717 -7.080 305 2HD ARG 22 2HD ARG 22 -16.679 -5.494 -8.816 306 HE ARG 22 HE ARG 22 -15.745 -8.090 -8.602 307 1HH1 ARG 22 1HH1 ARG 22 -18.299 -6.240 -7.192 308 2HH1 ARG 22 2HH1 ARG 22 -19.358 -7.599 -7.017 309 1HH2 ARG 22 1HH2 ARG 22 -17.118 -9.865 -8.380 310 2HH2 ARG 22 2HH2 ARG 22 -18.692 -9.648 -7.690 311 H GLY 23 H GLY 23 -12.520 -2.379 -8.857 312 1HA GLY 23 1HA GLY 23 -12.108 0.077 -9.081 313 2HA GLY 23 2HA GLY 23 -13.508 0.325 -8.035 314 H PHE 24 H PHE 24 -10.685 1.172 -7.621 315 HA PHE 24 HA PHE 24 -10.297 -0.169 -4.979 316 1HB PHE 24 1HB PHE 24 -7.776 0.289 -5.443 317 2HB PHE 24 2HB PHE 24 -8.531 -1.101 -6.223 318 HD1 PHE 24 HD1 PHE 24 -9.444 -0.814 -8.597 319 HD2 PHE 24 HD2 PHE 24 -6.816 2.025 -6.730 320 HE1 PHE 24 HE1 PHE 24 -8.868 0.117 -10.822 321 HE2 PHE 24 HE2 PHE 24 -6.240 2.956 -8.956 322 HZ PHE 24 HZ PHE 24 -7.267 2.001 -11.000 323 H PHE 25 H PHE 25 -9.097 1.223 -3.430 324 HA PHE 25 HA PHE 25 -9.873 4.056 -3.802 325 1HB PHE 25 1HB PHE 25 -8.620 2.813 -1.346 326 2HB PHE 25 2HB PHE 25 -9.592 4.282 -1.442 327 HD1 PHE 25 HD1 PHE 25 -11.897 3.621 -2.992 328 HD2 PHE 25 HD2 PHE 25 -9.781 1.158 -0.179 329 HE1 PHE 25 HE1 PHE 25 -13.953 2.286 -2.613 330 HE2 PHE 25 HE2 PHE 25 -11.838 -0.175 0.201 331 HZ PHE 25 HZ PHE 25 -13.923 0.389 -1.018 332 H TYR 26 H TYR 26 -8.316 5.066 -5.050 333 HA TYR 26 HA TYR 26 -5.696 5.486 -3.843 334 1HB TYR 26 1HB TYR 26 -5.143 3.402 -4.896 335 2HB TYR 26 2HB TYR 26 -5.969 3.863 -6.385 336 HD1 TYR 26 HD1 TYR 26 -3.421 5.447 -4.117 337 HD2 TYR 26 HD2 TYR 26 -4.525 4.382 -8.129 338 HE1 TYR 26 HE1 TYR 26 -1.328 6.471 -4.964 339 HE2 TYR 26 HE2 TYR 26 -2.431 5.406 -8.977 340 HH TYR 26 HH TYR 26 -0.557 7.490 -7.207 341 H GLU 27 H GLU 27 -6.797 7.632 -4.022 342 HA GLU 27 HA GLU 27 -6.023 8.921 -6.564 343 1HB GLU 27 1HB GLU 27 -8.314 10.138 -6.516 344 2HB GLU 27 2HB GLU 27 -8.268 8.495 -7.156 345 1HG GLU 27 1HG GLU 27 -9.109 7.578 -5.108 346 2HG GLU 27 2HG GLU 27 -8.886 9.107 -4.258 347 HA PRO 28 HA PRO 28 -5.389 11.258 -2.513 348 1HB PRO 28 1HB PRO 28 -2.598 11.314 -2.873 349 2HB PRO 28 2HB PRO 28 -3.480 10.277 -1.741 350 1HG PRO 28 1HG PRO 28 -2.156 9.550 -4.249 351 2HG PRO 28 2HG PRO 28 -2.759 8.493 -2.962 352 1HD PRO 28 1HD PRO 28 -3.941 8.919 -5.514 353 2HD PRO 28 2HD PRO 28 -4.638 8.024 -4.150 354 H LYS 29 H LYS 29 -6.377 12.832 -4.159 355 HA LYS 29 HA LYS 29 -4.227 14.628 -5.182 356 1HB LYS 29 1HB LYS 29 -6.150 15.177 -6.960 357 2HB LYS 29 2HB LYS 29 -4.993 13.872 -7.227 358 1HG LYS 29 1HG LYS 29 -6.536 12.208 -6.585 359 2HG LYS 29 2HG LYS 29 -7.583 13.367 -5.767 360 1HD LYS 29 1HD LYS 29 -7.804 14.435 -8.158 361 2HD LYS 29 2HD LYS 29 -7.279 12.844 -8.709 362 1HE LYS 29 1HE LYS 29 -9.715 12.891 -8.624 363 2HE LYS 29 2HE LYS 29 -9.113 11.814 -7.364 364 1HZ LYS 29 1HZ LYS 29 -9.219 14.386 -6.300 365 2HZ LYS 29 2HZ LYS 29 -10.698 14.117 -7.087 366 3HZ LYS 29 3HZ LYS 29 -10.171 13.043 -5.880 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -1.081 0.037 2.021 2 2H GLY 1 2H GLY 1 -0.442 0.237 3.582 3 3H GLY 1 3H GLY 1 -1.477 1.414 2.928 4 1HA GLY 1 1HA GLY 1 0.667 2.315 2.741 5 2HA GLY 1 2HA GLY 1 1.304 0.786 2.135 6 H ILE 2 H ILE 2 1.221 0.392 -0.043 7 HA ILE 2 HA ILE 2 0.560 0.632 -2.294 8 HB ILE 2 HB ILE 2 -1.629 1.675 -1.010 9 1HG1 ILE 2 1HG1 ILE 2 -1.339 1.954 -3.990 10 2HG1 ILE 2 2HG1 ILE 2 -1.263 0.360 -3.238 11 1HG2 ILE 2 1HG2 ILE 2 -0.461 3.976 -1.260 12 2HG2 ILE 2 2HG2 ILE 2 -0.837 3.825 -2.974 13 3HG2 ILE 2 3HG2 ILE 2 -2.139 3.848 -1.785 14 1HD1 ILE 2 1HD1 ILE 2 -3.450 0.789 -2.147 15 2HD1 ILE 2 2HD1 ILE 2 -3.534 2.351 -2.961 16 3HD1 ILE 2 3HD1 ILE 2 -3.568 0.862 -3.905 17 H VAL 3 H VAL 3 1.257 3.579 -0.424 18 HA VAL 3 HA VAL 3 2.616 4.758 -2.766 19 HB VAL 3 HB VAL 3 2.340 5.814 0.067 20 1HG1 VAL 3 1HG1 VAL 3 4.220 6.649 -1.538 21 2HG1 VAL 3 2HG1 VAL 3 2.901 7.419 -2.420 22 3HG1 VAL 3 3HG1 VAL 3 3.204 7.848 -0.736 23 1HG2 VAL 3 1HG2 VAL 3 0.560 5.826 -2.304 24 2HG2 VAL 3 2HG2 VAL 3 0.159 6.002 -0.596 25 3HG2 VAL 3 3HG2 VAL 3 0.763 7.386 -1.506 26 H GLU 4 H GLU 4 3.530 4.032 0.630 27 HA GLU 4 HA GLU 4 6.353 4.257 0.078 28 1HB GLU 4 1HB GLU 4 5.034 2.704 2.317 29 2HB GLU 4 2HB GLU 4 6.674 3.350 2.298 30 1HG GLU 4 1HG GLU 4 5.927 5.311 3.103 31 2HG GLU 4 2HG GLU 4 4.855 5.486 1.713 32 H GLN 5 H GLN 5 4.075 1.898 -0.744 33 HA GLN 5 HA GLN 5 6.094 -0.284 -0.773 34 1HB GLN 5 1HB GLN 5 3.353 -0.268 -0.253 35 2HB GLN 5 2HB GLN 5 3.473 -0.937 -1.881 36 1HG GLN 5 1HG GLN 5 5.145 -1.905 0.454 37 2HG GLN 5 2HG GLN 5 3.629 -2.660 -0.040 38 1HE2 GLN 5 2HE2 GLN 5 6.948 -2.883 -0.473 39 2HE2 GLN 5 1HE2 GLN 5 6.968 -3.680 -1.972 40 H CYS 6 H CYS 6 4.354 1.905 -2.879 41 HA CYS 6 HA CYS 6 5.635 0.558 -5.227 42 1HB CYS 6 1HB CYS 6 3.063 2.124 -4.969 43 2HB CYS 6 2HB CYS 6 3.819 1.815 -6.533 44 H CYS 7 H CYS 7 4.544 3.776 -4.090 45 HA CYS 7 HA CYS 7 6.143 5.258 -5.930 46 1HB CYS 7 1HB CYS 7 4.617 5.838 -3.474 47 2HB CYS 7 2HB CYS 7 5.933 6.955 -3.827 48 H HIS 8 H HIS 8 6.891 3.832 -2.793 49 HA HIS 8 HA HIS 8 9.489 5.226 -2.689 50 1HB HIS 8 1HB HIS 8 8.018 3.332 -0.875 51 2HB HIS 8 2HB HIS 8 9.741 3.623 -0.641 52 HD1 HIS 8 HD1 HIS 8 8.735 4.736 1.680 53 HD2 HIS 8 HD2 HIS 8 8.064 6.824 -1.866 54 HE1 HIS 8 HE1 HIS 8 8.141 7.107 2.346 55 H SER 9 H SER 9 8.232 1.963 -3.313 56 HA SER 9 HA SER 9 10.922 1.285 -4.412 57 1HB SER 9 1HB SER 9 10.555 -1.057 -3.513 58 2HB SER 9 2HB SER 9 10.859 0.168 -2.284 59 HG SER 9 HG SER 9 8.596 -1.310 -2.814 60 H ILE 10 H ILE 10 10.685 -0.852 -5.759 61 HA ILE 10 HA ILE 10 8.476 -0.391 -7.644 62 HB ILE 10 HB ILE 10 10.673 -2.483 -7.702 63 1HG1 ILE 10 1HG1 ILE 10 11.142 -0.514 -9.648 64 2HG1 ILE 10 2HG1 ILE 10 10.696 0.387 -8.197 65 1HG2 ILE 10 1HG2 ILE 10 8.360 -1.905 -9.380 66 2HG2 ILE 10 2HG2 ILE 10 9.868 -1.816 -10.290 67 3HG2 ILE 10 3HG2 ILE 10 9.450 -3.292 -9.418 68 1HD1 ILE 10 1HD1 ILE 10 12.345 -1.199 -6.967 69 2HD1 ILE 10 2HD1 ILE 10 12.970 -1.552 -8.578 70 3HD1 ILE 10 3HD1 ILE 10 13.020 0.097 -7.955 71 H CYS 11 H CYS 11 6.557 -1.390 -7.393 72 HA CYS 11 HA CYS 11 6.471 -3.906 -5.793 73 1HB CYS 11 1HB CYS 11 3.949 -3.398 -5.788 74 2HB CYS 11 2HB CYS 11 4.978 -2.316 -4.851 75 H SER 12 H SER 12 4.478 -5.335 -6.614 76 HA SER 12 HA SER 12 4.812 -5.600 -9.576 77 1HB SER 12 1HB SER 12 3.937 -8.066 -8.643 78 2HB SER 12 2HB SER 12 5.597 -7.656 -9.065 79 HG SER 12 HG SER 12 5.926 -8.105 -7.028 80 H LEU 13 H LEU 13 2.546 -7.315 -7.476 81 HA LEU 13 HA LEU 13 0.272 -5.653 -8.221 82 1HB LEU 13 1HB LEU 13 1.007 -7.982 -9.856 83 2HB LEU 13 2HB LEU 13 -0.654 -8.035 -9.266 84 HG LEU 13 HG LEU 13 0.416 -5.491 -10.449 85 1HD1 LEU 13 1HD1 LEU 13 0.784 -7.600 -11.958 86 2HD1 LEU 13 2HD1 LEU 13 -0.968 -7.550 -12.150 87 3HD1 LEU 13 3HD1 LEU 13 0.012 -6.174 -12.654 88 1HD2 LEU 13 1HD2 LEU 13 -1.828 -5.738 -9.242 89 2HD2 LEU 13 2HD2 LEU 13 -1.899 -5.056 -10.867 90 3HD2 LEU 13 3HD2 LEU 13 -2.334 -6.744 -10.599 91 H TYR 14 H TYR 14 1.489 -8.710 -6.908 92 HA TYR 14 HA TYR 14 -0.876 -9.542 -5.566 93 1HB TYR 14 1HB TYR 14 2.063 -9.973 -5.059 94 2HB TYR 14 2HB TYR 14 0.857 -10.599 -3.934 95 HD1 TYR 14 HD1 TYR 14 1.490 -10.446 -7.635 96 HD2 TYR 14 HD2 TYR 14 0.033 -12.743 -4.310 97 HE1 TYR 14 HE1 TYR 14 1.081 -12.371 -9.144 98 HE2 TYR 14 HE2 TYR 14 -0.376 -14.668 -5.819 99 HH TYR 14 HH TYR 14 0.780 -14.712 -9.095 100 H GLN 15 H GLN 15 1.281 -6.918 -4.938 101 HA GLN 15 HA GLN 15 0.457 -6.657 -2.120 102 1HB GLN 15 1HB GLN 15 1.858 -4.432 -3.530 103 2HB GLN 15 2HB GLN 15 2.135 -5.090 -1.917 104 1HG GLN 15 1HG GLN 15 3.000 -6.281 -4.563 105 2HG GLN 15 2HG GLN 15 4.033 -5.712 -3.252 106 1HE2 GLN 15 2HE2 GLN 15 4.303 -8.373 -4.173 107 2HE2 GLN 15 1HE2 GLN 15 3.739 -9.437 -2.976 108 H LEU 16 H LEU 16 -0.451 -5.434 -5.251 109 HA LEU 16 HA LEU 16 -2.083 -3.271 -4.059 110 1HB LEU 16 1HB LEU 16 -2.274 -3.954 -6.960 111 2HB LEU 16 2HB LEU 16 -2.230 -2.374 -6.180 112 HG LEU 16 HG LEU 16 0.117 -4.252 -6.567 113 1HD1 LEU 16 1HD1 LEU 16 -0.866 -2.727 -8.473 114 2HD1 LEU 16 2HD1 LEU 16 -0.087 -1.428 -7.570 115 3HD1 LEU 16 3HD1 LEU 16 0.875 -2.765 -8.198 116 1HD2 LEU 16 1HD2 LEU 16 -0.351 -2.265 -4.570 117 2HD2 LEU 16 2HD2 LEU 16 1.137 -3.160 -4.880 118 3HD2 LEU 16 3HD2 LEU 16 0.847 -1.622 -5.693 119 H GLU 17 H GLU 17 -2.412 -6.544 -4.564 120 HA GLU 17 HA GLU 17 -5.128 -6.642 -5.571 121 1HB GLU 17 1HB GLU 17 -3.337 -8.524 -5.529 122 2HB GLU 17 2HB GLU 17 -3.865 -8.783 -3.865 123 1HG GLU 17 1HG GLU 17 -6.018 -9.429 -4.508 124 2HG GLU 17 2HG GLU 17 -5.905 -8.610 -6.066 125 H ASN 18 H ASN 18 -3.715 -5.995 -2.489 126 HA ASN 18 HA ASN 18 -6.130 -6.727 -0.981 127 1HB ASN 18 1HB ASN 18 -4.144 -4.967 0.323 128 2HB ASN 18 2HB ASN 18 -4.850 -6.480 0.889 129 1HD2 ASN 18 2HD2 ASN 18 -1.919 -5.515 0.664 130 2HD2 ASN 18 1HD2 ASN 18 -1.142 -6.775 -0.166 131 H TYR 19 H TYR 19 -5.027 -4.056 -2.782 132 HA TYR 19 HA TYR 19 -6.712 -2.124 -1.291 133 1HB TYR 19 1HB TYR 19 -5.168 -1.552 -3.821 134 2HB TYR 19 2HB TYR 19 -5.637 -0.428 -2.546 135 HD1 TYR 19 HD1 TYR 19 -4.904 -2.361 -0.231 136 HD2 TYR 19 HD2 TYR 19 -2.790 -1.048 -3.730 137 HE1 TYR 19 HE1 TYR 19 -2.746 -2.766 0.921 138 HE2 TYR 19 HE2 TYR 19 -0.632 -1.456 -2.579 139 HH TYR 19 HH TYR 19 -0.323 -1.813 0.672 140 H CYS 20 H CYS 20 -8.300 -4.069 -2.324 141 HA CYS 20 HA CYS 20 -9.442 -2.848 -4.806 142 1HB CYS 20 1HB CYS 20 -8.777 -5.057 -5.365 143 2HB CYS 20 2HB CYS 20 -9.342 -5.706 -3.828 144 H ASN 21 H ASN 21 -11.178 -1.633 -4.244 145 HA ASN 21 HA ASN 21 -12.670 -2.041 -1.797 146 1HB ASN 21 1HB ASN 21 -12.682 0.187 -2.541 147 2HB ASN 21 2HB ASN 21 -12.973 -0.273 -4.216 148 1HD2 ASN 21 2HD2 ASN 21 -15.044 0.243 -4.859 149 2HD2 ASN 21 1HD2 ASN 21 -16.424 0.194 -3.869 150 1H GLU 1 1H GLU 1 19.228 -2.563 -8.451 151 2H GLU 1 2H GLU 1 20.308 -1.329 -8.894 152 3H GLU 1 3H GLU 1 19.140 -1.048 -7.694 153 HA GLU 1 HA GLU 1 17.466 -0.736 -9.158 154 1HB GLU 1 1HB GLU 1 20.069 0.096 -10.252 155 2HB GLU 1 2HB GLU 1 18.801 -0.050 -11.470 156 1HG GLU 1 1HG GLU 1 17.434 1.222 -9.491 157 2HG GLU 1 2HG GLU 1 19.054 1.869 -9.229 158 H VAL 2 H VAL 2 16.389 -1.358 -11.209 159 HA VAL 2 HA VAL 2 17.407 -3.362 -12.961 160 HB VAL 2 HB VAL 2 17.262 -4.665 -10.766 161 1HG1 VAL 2 1HG1 VAL 2 14.933 -3.467 -10.352 162 2HG1 VAL 2 2HG1 VAL 2 14.312 -4.829 -11.285 163 3HG1 VAL 2 3HG1 VAL 2 15.202 -5.116 -9.789 164 1HG2 VAL 2 1HG2 VAL 2 16.885 -5.446 -13.345 165 2HG2 VAL 2 2HG2 VAL 2 16.897 -6.569 -11.983 166 3HG2 VAL 2 3HG2 VAL 2 15.364 -5.981 -12.629 167 H ASN 3 H ASN 3 14.603 -1.932 -11.368 168 HA ASN 3 HA ASN 3 13.235 -1.927 -14.011 169 1HB ASN 3 1HB ASN 3 12.471 -3.761 -12.249 170 2HB ASN 3 2HB ASN 3 11.591 -2.400 -11.555 171 1HD2 ASN 3 2HD2 ASN 3 11.270 -4.876 -13.787 172 2HD2 ASN 3 1HD2 ASN 3 10.066 -4.197 -14.771 173 H GLN 4 H GLN 4 10.871 -0.826 -12.223 174 HA GLN 4 HA GLN 4 12.036 1.797 -11.510 175 1HB GLN 4 1HB GLN 4 10.621 1.293 -13.977 176 2HB GLN 4 2HB GLN 4 9.711 2.428 -12.981 177 1HG GLN 4 1HG GLN 4 12.569 3.003 -12.944 178 2HG GLN 4 2HG GLN 4 11.909 3.049 -14.580 179 1HE2 GLN 4 2HE2 GLN 4 11.865 4.633 -11.442 180 2HE2 GLN 4 1HE2 GLN 4 10.874 5.934 -11.901 181 H HIS 5 H HIS 5 10.986 2.688 -9.790 182 HA HIS 5 HA HIS 5 9.035 1.210 -8.353 183 1HB HIS 5 1HB HIS 5 9.466 4.177 -8.078 184 2HB HIS 5 2HB HIS 5 9.019 3.015 -6.823 185 HD1 HIS 5 HD1 HIS 5 11.921 4.506 -8.515 186 HD2 HIS 5 HD2 HIS 5 11.188 1.123 -6.203 187 HE1 HIS 5 HE1 HIS 5 14.171 3.598 -7.830 188 H LEU 6 H LEU 6 6.791 1.283 -8.396 189 HA LEU 6 HA LEU 6 5.544 2.660 -10.656 190 1HB LEU 6 1HB LEU 6 4.752 0.619 -8.671 191 2HB LEU 6 2HB LEU 6 3.455 1.700 -9.181 192 HG LEU 6 HG LEU 6 3.976 1.199 -11.545 193 1HD1 LEU 6 1HD1 LEU 6 6.115 -0.474 -10.238 194 2HD1 LEU 6 2HD1 LEU 6 5.480 -0.913 -11.824 195 3HD1 LEU 6 3HD1 LEU 6 6.263 0.649 -11.589 196 1HD2 LEU 6 1HD2 LEU 6 3.134 -0.830 -9.554 197 2HD2 LEU 6 2HD2 LEU 6 2.293 -0.247 -10.990 198 3HD2 LEU 6 3HD2 LEU 6 3.560 -1.464 -11.144 199 H CYS 7 H CYS 7 6.155 4.876 -9.822 200 HA CYS 7 HA CYS 7 4.301 5.758 -7.653 201 1HB CYS 7 1HB CYS 7 6.838 6.127 -7.413 202 2HB CYS 7 2HB CYS 7 6.663 7.330 -8.688 203 H GLY 8 H GLY 8 2.545 6.849 -8.358 204 1HA GLY 8 1HA GLY 8 1.780 8.915 -9.553 205 2HA GLY 8 2HA GLY 8 2.796 8.406 -10.902 206 H SER 9 H SER 9 1.188 8.110 -12.454 207 HA SER 9 HA SER 9 -1.304 6.750 -11.894 208 1HB SER 9 1HB SER 9 -0.354 6.690 -14.681 209 2HB SER 9 2HB SER 9 -1.850 7.340 -14.017 210 HG SER 9 HG SER 9 -0.682 9.077 -14.687 211 H GLU 10 H GLU 10 1.892 5.704 -12.918 212 HA GLU 10 HA GLU 10 1.368 3.211 -14.050 213 1HB GLU 10 1HB GLU 10 3.515 2.478 -12.823 214 2HB GLU 10 2HB GLU 10 3.640 3.863 -13.903 215 1HG GLU 10 1HG GLU 10 2.857 4.938 -11.430 216 2HG GLU 10 2HG GLU 10 4.092 3.741 -11.048 217 H LEU 11 H LEU 11 0.780 4.231 -10.777 218 HA LEU 11 HA LEU 11 0.542 1.470 -9.781 219 1HB LEU 11 1HB LEU 11 1.378 3.095 -8.208 220 2HB LEU 11 2HB LEU 11 0.008 4.165 -8.507 221 HG LEU 11 HG LEU 11 -1.529 2.631 -7.491 222 1HD1 LEU 11 1HD1 LEU 11 0.662 0.725 -8.020 223 2HD1 LEU 11 2HD1 LEU 11 -0.150 0.494 -6.470 224 3HD1 LEU 11 3HD1 LEU 11 -1.080 0.453 -7.968 225 1HD2 LEU 11 1HD2 LEU 11 0.712 3.693 -6.103 226 2HD2 LEU 11 2HD2 LEU 11 -0.876 3.300 -5.442 227 3HD2 LEU 11 3HD2 LEU 11 0.407 2.090 -5.431 228 H VAL 12 H VAL 12 -1.693 4.254 -10.142 229 HA VAL 12 HA VAL 12 -4.072 2.930 -9.472 230 HB VAL 12 HB VAL 12 -3.708 5.416 -10.037 231 1HG1 VAL 12 1HG1 VAL 12 -2.785 4.987 -12.311 232 2HG1 VAL 12 2HG1 VAL 12 -4.358 4.371 -12.809 233 3HG1 VAL 12 3HG1 VAL 12 -4.179 6.063 -12.345 234 1HG2 VAL 12 1HG2 VAL 12 -5.909 4.250 -9.530 235 2HG2 VAL 12 2HG2 VAL 12 -6.047 5.701 -10.524 236 3HG2 VAL 12 3HG2 VAL 12 -6.145 4.107 -11.272 237 H GLU 13 H GLU 13 -2.458 3.057 -12.648 238 HA GLU 13 HA GLU 13 -4.464 1.628 -14.090 239 1HB GLU 13 1HB GLU 13 -1.645 2.384 -14.500 240 2HB GLU 13 2HB GLU 13 -2.108 0.889 -15.311 241 1HG GLU 13 1HG GLU 13 -3.042 2.149 -16.928 242 2HG GLU 13 2HG GLU 13 -4.254 2.647 -15.748 243 H ALA 14 H ALA 14 -1.821 0.577 -12.021 244 HA ALA 14 HA ALA 14 -2.306 -2.265 -12.667 245 1HB ALA 14 1HB ALA 14 -0.340 -0.790 -10.916 246 2HB ALA 14 2HB ALA 14 -0.549 -2.535 -10.764 247 3HB ALA 14 3HB ALA 14 -0.014 -1.841 -12.295 248 H LEU 15 H LEU 15 -3.600 0.073 -10.619 249 HA LEU 15 HA LEU 15 -4.292 -1.820 -8.455 250 1HB LEU 15 1HB LEU 15 -4.291 1.112 -8.822 251 2HB LEU 15 2HB LEU 15 -5.662 0.490 -7.902 252 HG LEU 15 HG LEU 15 -2.833 -0.369 -7.296 253 1HD1 LEU 15 1HD1 LEU 15 -3.432 2.227 -7.177 254 2HD1 LEU 15 2HD1 LEU 15 -4.188 1.733 -5.662 255 3HD1 LEU 15 3HD1 LEU 15 -2.466 1.450 -5.921 256 1HD2 LEU 15 1HD2 LEU 15 -5.438 -1.048 -6.345 257 2HD2 LEU 15 2HD2 LEU 15 -3.883 -1.627 -5.747 258 3HD2 LEU 15 3HD2 LEU 15 -4.611 -0.179 -5.053 259 H GLU 16 H GLU 16 -5.602 -0.558 -11.379 260 HA GLU 16 HA GLU 16 -8.399 -1.050 -10.630 261 1HB GLU 16 1HB GLU 16 -7.444 -0.677 -13.459 262 2HB GLU 16 2HB GLU 16 -8.959 -0.155 -12.721 263 1HG GLU 16 1HG GLU 16 -6.907 1.101 -11.242 264 2HG GLU 16 2HG GLU 16 -6.467 1.288 -12.941 265 H LEU 17 H LEU 17 -5.764 -2.820 -12.011 266 HA LEU 17 HA LEU 17 -7.421 -4.814 -13.346 267 1HB LEU 17 1HB LEU 17 -4.519 -4.413 -12.807 268 2HB LEU 17 2HB LEU 17 -5.057 -6.075 -13.058 269 HG LEU 17 HG LEU 17 -4.363 -4.868 -15.172 270 1HD1 LEU 17 1HD1 LEU 17 -5.914 -6.822 -15.154 271 2HD1 LEU 17 2HD1 LEU 17 -7.275 -5.707 -15.025 272 3HD1 LEU 17 3HD1 LEU 17 -6.262 -5.699 -16.469 273 1HD2 LEU 17 1HD2 LEU 17 -5.501 -2.695 -14.293 274 2HD2 LEU 17 2HD2 LEU 17 -5.646 -3.074 -16.009 275 3HD2 LEU 17 3HD2 LEU 17 -6.989 -3.408 -14.916 276 H VAL 18 H VAL 18 -5.458 -4.801 -10.354 277 HA VAL 18 HA VAL 18 -6.059 -7.357 -9.412 278 HB VAL 18 HB VAL 18 -6.125 -5.947 -7.097 279 1HG1 VAL 18 1HG1 VAL 18 -4.009 -7.076 -8.816 280 2HG1 VAL 18 2HG1 VAL 18 -3.450 -5.972 -7.560 281 3HG1 VAL 18 3HG1 VAL 18 -4.382 -7.405 -7.123 282 1HG2 VAL 18 1HG2 VAL 18 -5.996 -3.864 -8.744 283 2HG2 VAL 18 2HG2 VAL 18 -5.130 -3.868 -7.208 284 3HG2 VAL 18 3HG2 VAL 18 -4.275 -4.246 -8.704 285 H CYS 19 H CYS 19 -7.891 -4.360 -8.756 286 HA CYS 19 HA CYS 19 -10.089 -5.856 -7.555 287 1HB CYS 19 1HB CYS 19 -9.237 -3.384 -7.146 288 2HB CYS 19 2HB CYS 19 -10.316 -3.016 -8.487 289 H GLY 20 H GLY 20 -10.041 -3.595 -10.317 290 1HA GLY 20 1HA GLY 20 -11.254 -3.595 -12.320 291 2HA GLY 20 2HA GLY 20 -11.002 -5.337 -12.302 292 H GLU 21 H GLU 21 -13.360 -3.879 -13.205 293 HA GLU 21 HA GLU 21 -15.697 -3.873 -12.966 294 1HB GLU 21 1HB GLU 21 -14.643 -6.537 -12.507 295 2HB GLU 21 2HB GLU 21 -16.161 -6.297 -11.640 296 1HG GLU 21 1HG GLU 21 -15.874 -5.457 -14.523 297 2HG GLU 21 2HG GLU 21 -16.292 -7.116 -14.097 298 H ARG 22 H ARG 22 -14.018 -2.958 -10.512 299 HA ARG 22 HA ARG 22 -16.360 -2.778 -8.731 300 1HB ARG 22 1HB ARG 22 -13.707 -3.846 -7.734 301 2HB ARG 22 2HB ARG 22 -15.163 -3.594 -6.770 302 1HG ARG 22 1HG ARG 22 -16.334 -5.183 -8.397 303 2HG ARG 22 2HG ARG 22 -14.725 -5.595 -8.990 304 1HD ARG 22 1HD ARG 22 -14.165 -6.002 -6.473 305 2HD ARG 22 2HD ARG 22 -15.914 -6.079 -6.265 306 HE ARG 22 HE ARG 22 -15.407 -7.795 -8.390 307 1HH1 ARG 22 1HH1 ARG 22 -14.280 -7.405 -5.148 308 2HH1 ARG 22 2HH1 ARG 22 -13.960 -9.092 -4.920 309 1HH2 ARG 22 1HH2 ARG 22 -14.988 -9.997 -8.102 310 2HH2 ARG 22 2HH2 ARG 22 -14.359 -10.556 -6.588 311 H GLY 23 H GLY 23 -12.829 -2.144 -8.597 312 1HA GLY 23 1HA GLY 23 -12.078 0.215 -8.953 313 2HA GLY 23 2HA GLY 23 -13.522 0.720 -8.076 314 H PHE 24 H PHE 24 -10.915 1.502 -7.298 315 HA PHE 24 HA PHE 24 -10.769 0.170 -4.633 316 1HB PHE 24 1HB PHE 24 -8.232 0.511 -4.802 317 2HB PHE 24 2HB PHE 24 -8.911 -0.788 -5.785 318 HD1 PHE 24 HD1 PHE 24 -9.467 -0.299 -8.231 319 HD2 PHE 24 HD2 PHE 24 -7.079 2.317 -5.801 320 HE1 PHE 24 HE1 PHE 24 -8.569 0.781 -10.276 321 HE2 PHE 24 HE2 PHE 24 -6.182 3.396 -7.847 322 HZ PHE 24 HZ PHE 24 -6.927 2.628 -10.083 323 H PHE 25 H PHE 25 -9.077 1.660 -3.278 324 HA PHE 25 HA PHE 25 -10.078 4.453 -3.636 325 1HB PHE 25 1HB PHE 25 -9.169 4.531 -1.133 326 2HB PHE 25 2HB PHE 25 -10.772 3.893 -1.495 327 HD1 PHE 25 HD1 PHE 25 -11.127 1.424 -1.673 328 HD2 PHE 25 HD2 PHE 25 -7.408 3.109 -0.342 329 HE1 PHE 25 HE1 PHE 25 -10.466 -0.776 -0.739 330 HE2 PHE 25 HE2 PHE 25 -6.746 0.909 0.592 331 HZ PHE 25 HZ PHE 25 -8.275 -1.033 0.395 332 H TYR 26 H TYR 26 -8.463 5.319 -4.958 333 HA TYR 26 HA TYR 26 -6.030 6.165 -3.743 334 1HB TYR 26 1HB TYR 26 -5.260 3.885 -3.906 335 2HB TYR 26 2HB TYR 26 -5.812 3.763 -5.577 336 HD1 TYR 26 HD1 TYR 26 -3.499 5.728 -3.384 337 HD2 TYR 26 HD2 TYR 26 -4.355 4.290 -7.341 338 HE1 TYR 26 HE1 TYR 26 -1.314 6.595 -4.172 339 HE2 TYR 26 HE2 TYR 26 -2.169 5.157 -8.128 340 HH TYR 26 HH TYR 26 0.085 5.692 -7.066 341 H GLU 27 H GLU 27 -6.644 8.127 -4.739 342 HA GLU 27 HA GLU 27 -5.659 8.554 -7.405 343 1HB GLU 27 1HB GLU 27 -7.803 9.124 -8.501 344 2HB GLU 27 2HB GLU 27 -7.756 7.423 -8.036 345 1HG GLU 27 1HG GLU 27 -9.627 7.722 -6.826 346 2HG GLU 27 2HG GLU 27 -8.763 8.873 -5.806 347 HA PRO 28 HA PRO 28 -6.002 12.125 -4.426 348 1HB PRO 28 1HB PRO 28 -3.337 12.823 -5.239 349 2HB PRO 28 2HB PRO 28 -3.872 12.239 -3.657 350 1HG PRO 28 1HG PRO 28 -2.351 10.810 -5.642 351 2HG PRO 28 2HG PRO 28 -2.878 10.236 -4.053 352 1HD PRO 28 1HD PRO 28 -3.896 9.462 -6.628 353 2HD PRO 28 2HD PRO 28 -4.437 8.908 -5.033 354 H LYS 29 H LYS 29 -5.157 11.640 -7.757 355 HA LYS 29 HA LYS 29 -5.323 14.520 -8.392 356 1HB LYS 29 1HB LYS 29 -5.027 13.627 -10.777 357 2HB LYS 29 2HB LYS 29 -3.680 13.353 -9.672 358 1HG LYS 29 1HG LYS 29 -4.315 11.072 -9.316 359 2HG LYS 29 2HG LYS 29 -5.872 11.314 -10.110 360 1HD LYS 29 1HD LYS 29 -4.139 12.106 -12.077 361 2HD LYS 29 2HD LYS 29 -3.211 10.827 -11.293 362 1HE LYS 29 1HE LYS 29 -5.700 9.687 -11.420 363 2HE LYS 29 2HE LYS 29 -5.678 10.644 -12.901 364 1HZ LYS 29 1HZ LYS 29 -3.486 9.632 -13.395 365 2HZ LYS 29 2HZ LYS 29 -3.690 8.609 -12.058 366 3HZ LYS 29 3HZ LYS 29 -4.763 8.513 -13.372 Start of MODEL 3 1 1H GLY 1 1H GLY 1 0.447 -0.151 0.741 2 2H GLY 1 2H GLY 1 1.087 0.136 2.285 3 3H GLY 1 3H GLY 1 0.146 1.327 1.522 4 1HA GLY 1 1HA GLY 1 2.287 2.107 1.208 5 2HA GLY 1 2HA GLY 1 2.907 0.480 0.918 6 H ILE 2 H ILE 2 0.660 2.888 -0.463 7 HA ILE 2 HA ILE 2 0.862 1.584 -3.102 8 HB ILE 2 HB ILE 2 -0.750 3.855 -1.957 9 1HG1 ILE 2 1HG1 ILE 2 -1.575 1.524 -1.810 10 2HG1 ILE 2 2HG1 ILE 2 -2.604 2.503 -2.855 11 1HG2 ILE 2 1HG2 ILE 2 0.158 3.569 -4.745 12 2HG2 ILE 2 2HG2 ILE 2 -1.591 3.705 -4.571 13 3HG2 ILE 2 3HG2 ILE 2 -0.539 4.967 -3.929 14 1HD1 ILE 2 1HD1 ILE 2 -1.145 1.658 -4.798 15 2HD1 ILE 2 2HD1 ILE 2 -0.545 0.450 -3.664 16 3HD1 ILE 2 3HD1 ILE 2 -2.260 0.499 -4.075 17 H VAL 3 H VAL 3 1.039 5.068 -2.372 18 HA VAL 3 HA VAL 3 3.221 5.301 -4.348 19 HB VAL 3 HB VAL 3 1.520 7.305 -2.849 20 1HG1 VAL 3 1HG1 VAL 3 4.105 7.667 -4.272 21 2HG1 VAL 3 2HG1 VAL 3 2.839 8.839 -4.631 22 3HG1 VAL 3 3HG1 VAL 3 3.395 8.620 -2.972 23 1HG2 VAL 3 1HG2 VAL 3 0.760 5.977 -4.955 24 2HG2 VAL 3 2HG2 VAL 3 0.533 7.725 -4.948 25 3HG2 VAL 3 3HG2 VAL 3 1.886 7.015 -5.828 26 H GLU 4 H GLU 4 3.186 4.471 -1.214 27 HA GLU 4 HA GLU 4 5.432 6.228 -0.386 28 1HB GLU 4 1HB GLU 4 4.301 3.967 1.247 29 2HB GLU 4 2HB GLU 4 5.083 5.436 1.808 30 1HG GLU 4 1HG GLU 4 2.689 5.975 0.221 31 2HG GLU 4 2HG GLU 4 2.360 5.039 1.675 32 H GLN 5 H GLN 5 4.682 2.783 -0.900 33 HA GLN 5 HA GLN 5 7.559 2.128 -0.651 34 1HB GLN 5 1HB GLN 5 5.030 0.657 -0.431 35 2HB GLN 5 2HB GLN 5 6.257 -0.205 -1.359 36 1HG GLN 5 1HG GLN 5 7.880 0.281 0.527 37 2HG GLN 5 2HG GLN 5 6.503 0.867 1.462 38 1HE2 GLN 5 2HE2 GLN 5 5.295 -0.694 2.574 39 2HE2 GLN 5 1HE2 GLN 5 5.433 -2.369 2.333 40 H CYS 6 H CYS 6 5.314 2.964 -3.078 41 HA CYS 6 HA CYS 6 6.771 1.447 -5.168 42 1HB CYS 6 1HB CYS 6 4.357 3.275 -5.318 43 2HB CYS 6 2HB CYS 6 5.042 2.403 -6.687 44 H CYS 7 H CYS 7 6.312 4.728 -3.970 45 HA CYS 7 HA CYS 7 8.007 5.819 -6.134 46 1HB CYS 7 1HB CYS 7 6.462 7.048 -3.855 47 2HB CYS 7 2HB CYS 7 7.639 7.982 -4.778 48 H HIS 8 H HIS 8 8.114 5.078 -2.678 49 HA HIS 8 HA HIS 8 10.857 6.165 -2.465 50 1HB HIS 8 1HB HIS 8 9.443 4.546 -0.348 51 2HB HIS 8 2HB HIS 8 10.673 5.791 -0.140 52 HD1 HIS 8 HD1 HIS 8 8.098 6.155 1.412 53 HD2 HIS 8 HD2 HIS 8 8.607 7.637 -2.451 54 HE1 HIS 8 HE1 HIS 8 6.414 8.026 1.136 55 H SER 9 H SER 9 9.584 3.449 -3.778 56 HA SER 9 HA SER 9 12.046 2.033 -3.903 57 1HB SER 9 1HB SER 9 11.628 0.153 -2.420 58 2HB SER 9 2HB SER 9 11.531 1.637 -1.476 59 HG SER 9 HG SER 9 9.483 1.271 -1.148 60 H ILE 10 H ILE 10 10.642 -0.641 -3.815 61 HA ILE 10 HA ILE 10 8.967 -0.264 -6.266 62 HB ILE 10 HB ILE 10 10.700 -2.666 -5.648 63 1HG1 ILE 10 1HG1 ILE 10 11.784 -1.301 -7.825 64 2HG1 ILE 10 2HG1 ILE 10 11.395 -0.023 -6.673 65 1HG2 ILE 10 1HG2 ILE 10 9.292 -1.691 -8.153 66 2HG2 ILE 10 2HG2 ILE 10 10.353 -3.098 -8.075 67 3HG2 ILE 10 3HG2 ILE 10 8.833 -3.088 -7.178 68 1HD1 ILE 10 1HD1 ILE 10 12.768 -2.509 -5.702 69 2HD1 ILE 10 2HD1 ILE 10 13.713 -1.257 -6.508 70 3HD1 ILE 10 3HD1 ILE 10 12.819 -0.876 -5.036 71 H CYS 11 H CYS 11 7.129 -1.596 -6.460 72 HA CYS 11 HA CYS 11 6.419 -3.144 -3.998 73 1HB CYS 11 1HB CYS 11 4.408 -1.863 -5.855 74 2HB CYS 11 2HB CYS 11 4.159 -2.445 -4.211 75 H SER 12 H SER 12 3.944 -4.034 -5.422 76 HA SER 12 HA SER 12 4.859 -5.516 -7.761 77 1HB SER 12 1HB SER 12 4.290 -7.754 -6.601 78 2HB SER 12 2HB SER 12 5.844 -7.020 -6.218 79 HG SER 12 HG SER 12 3.650 -6.261 -4.680 80 H LEU 13 H LEU 13 2.537 -7.264 -5.978 81 HA LEU 13 HA LEU 13 0.275 -5.631 -6.945 82 1HB LEU 13 1HB LEU 13 1.148 -8.197 -8.152 83 2HB LEU 13 2HB LEU 13 -0.582 -8.038 -7.842 84 HG LEU 13 HG LEU 13 0.561 -5.607 -8.985 85 1HD1 LEU 13 1HD1 LEU 13 1.846 -7.746 -9.984 86 2HD1 LEU 13 2HD1 LEU 13 0.392 -7.816 -10.980 87 3HD1 LEU 13 3HD1 LEU 13 1.400 -6.368 -10.991 88 1HD2 LEU 13 1HD2 LEU 13 -1.885 -6.926 -8.846 89 2HD2 LEU 13 2HD2 LEU 13 -1.544 -5.488 -9.809 90 3HD2 LEU 13 3HD2 LEU 13 -1.424 -7.090 -10.540 91 H TYR 14 H TYR 14 1.589 -7.122 -4.445 92 HA TYR 14 HA TYR 14 -0.896 -8.457 -3.501 93 1HB TYR 14 1HB TYR 14 1.865 -9.015 -3.155 94 2HB TYR 14 2HB TYR 14 1.249 -8.515 -1.579 95 HD1 TYR 14 HD1 TYR 14 -0.504 -10.264 -4.380 96 HD2 TYR 14 HD2 TYR 14 0.975 -10.513 -0.354 97 HE1 TYR 14 HE1 TYR 14 -1.608 -12.467 -4.112 98 HE2 TYR 14 HE2 TYR 14 -0.130 -12.718 -0.086 99 HH TYR 14 HH TYR 14 -0.967 -14.633 -2.288 100 H GLN 15 H GLN 15 1.413 -5.894 -2.647 101 HA GLN 15 HA GLN 15 0.054 -5.050 -0.264 102 1HB GLN 15 1HB GLN 15 1.955 -3.666 -2.167 103 2HB GLN 15 2HB GLN 15 1.286 -2.845 -0.755 104 1HG GLN 15 1HG GLN 15 2.131 -5.253 0.302 105 2HG GLN 15 2HG GLN 15 3.372 -4.907 -0.903 106 1HE2 GLN 15 2HE2 GLN 15 1.783 -3.592 2.010 107 2HE2 GLN 15 1HE2 GLN 15 3.010 -2.478 2.376 108 H LEU 16 H LEU 16 -0.468 -4.459 -3.673 109 HA LEU 16 HA LEU 16 -2.415 -2.303 -3.101 110 1HB LEU 16 1HB LEU 16 -2.132 -3.443 -5.842 111 2HB LEU 16 2HB LEU 16 -2.289 -1.762 -5.337 112 HG LEU 16 HG LEU 16 0.184 -3.501 -5.240 113 1HD1 LEU 16 1HD1 LEU 16 -0.857 -1.488 -7.012 114 2HD1 LEU 16 2HD1 LEU 16 0.621 -0.886 -6.263 115 3HD1 LEU 16 3HD1 LEU 16 0.641 -2.407 -7.154 116 1HD2 LEU 16 1HD2 LEU 16 -0.632 -1.408 -3.424 117 2HD2 LEU 16 2HD2 LEU 16 0.851 -2.363 -3.411 118 3HD2 LEU 16 3HD2 LEU 16 0.769 -0.875 -4.354 119 H GLU 17 H GLU 17 -2.308 -5.713 -3.695 120 HA GLU 17 HA GLU 17 -4.783 -6.296 -4.834 121 1HB GLU 17 1HB GLU 17 -2.925 -7.878 -3.867 122 2HB GLU 17 2HB GLU 17 -3.895 -7.817 -2.395 123 1HG GLU 17 1HG GLU 17 -5.328 -8.330 -4.962 124 2HG GLU 17 2HG GLU 17 -4.352 -9.641 -4.300 125 H ASN 18 H ASN 18 -4.115 -4.916 -1.709 126 HA ASN 18 HA ASN 18 -6.873 -5.363 -0.756 127 1HB ASN 18 1HB ASN 18 -5.145 -3.474 0.720 128 2HB ASN 18 2HB ASN 18 -6.081 -4.843 1.320 129 1HD2 ASN 18 2HD2 ASN 18 -3.024 -3.898 1.401 130 2HD2 ASN 18 1HD2 ASN 18 -2.202 -5.358 1.134 131 H TYR 19 H TYR 19 -6.512 -3.788 -3.181 132 HA TYR 19 HA TYR 19 -7.647 -1.207 -2.193 133 1HB TYR 19 1HB TYR 19 -5.604 -1.654 -4.381 134 2HB TYR 19 2HB TYR 19 -6.552 -0.171 -4.259 135 HD1 TYR 19 HD1 TYR 19 -4.563 -2.436 -2.006 136 HD2 TYR 19 HD2 TYR 19 -5.600 1.592 -3.085 137 HE1 TYR 19 HE1 TYR 19 -2.995 -1.572 -0.292 138 HE2 TYR 19 HE2 TYR 19 -4.031 2.454 -1.370 139 HH TYR 19 HH TYR 19 -2.995 1.655 0.740 140 H CYS 20 H CYS 20 -8.500 -3.948 -3.561 141 HA CYS 20 HA CYS 20 -9.892 -2.886 -5.939 142 1HB CYS 20 1HB CYS 20 -8.995 -5.107 -6.185 143 2HB CYS 20 2HB CYS 20 -9.745 -5.639 -4.682 144 H ASN 21 H ASN 21 -11.797 -1.843 -5.624 145 HA ASN 21 HA ASN 21 -13.279 -1.897 -3.186 146 1HB ASN 21 1HB ASN 21 -14.979 -0.667 -4.386 147 2HB ASN 21 2HB ASN 21 -13.408 -0.114 -4.969 148 1HD2 ASN 21 2HD2 ASN 21 -13.521 0.180 -7.183 149 2HD2 ASN 21 1HD2 ASN 21 -14.302 -0.862 -8.273 150 1H GLU 1 1H GLU 1 4.523 -1.640 -14.542 151 2H GLU 1 2H GLU 1 3.177 -1.947 -15.526 152 3H GLU 1 3H GLU 1 3.144 -2.380 -13.883 153 HA GLU 1 HA GLU 1 3.804 -4.398 -14.479 154 1HB GLU 1 1HB GLU 1 4.382 -4.936 -16.782 155 2HB GLU 1 2HB GLU 1 3.021 -3.814 -16.787 156 1HG GLU 1 1HG GLU 1 4.539 -1.934 -17.202 157 2HG GLU 1 2HG GLU 1 5.926 -3.021 -17.138 158 H VAL 2 H VAL 2 5.827 -5.646 -14.697 159 HA VAL 2 HA VAL 2 8.159 -5.933 -14.561 160 HB VAL 2 HB VAL 2 7.988 -3.647 -16.050 161 1HG1 VAL 2 1HG1 VAL 2 8.244 -2.491 -13.639 162 2HG1 VAL 2 2HG1 VAL 2 9.950 -2.784 -13.977 163 3HG1 VAL 2 3HG1 VAL 2 8.985 -1.811 -15.086 164 1HG2 VAL 2 1HG2 VAL 2 9.720 -5.651 -15.822 165 2HG2 VAL 2 2HG2 VAL 2 10.149 -4.168 -16.674 166 3HG2 VAL 2 3HG2 VAL 2 10.683 -4.416 -15.012 167 H ASN 3 H ASN 3 10.007 -5.041 -12.998 168 HA ASN 3 HA ASN 3 8.648 -4.392 -10.413 169 1HB ASN 3 1HB ASN 3 10.160 -6.612 -11.016 170 2HB ASN 3 2HB ASN 3 11.353 -5.545 -10.275 171 1HD2 ASN 3 2HD2 ASN 3 11.008 -7.562 -8.639 172 2HD2 ASN 3 1HD2 ASN 3 9.898 -7.259 -7.390 173 H GLN 4 H GLN 4 8.916 -2.188 -10.242 174 HA GLN 4 HA GLN 4 11.564 -1.166 -9.678 175 1HB GLN 4 1HB GLN 4 10.833 -1.168 -12.395 176 2HB GLN 4 2HB GLN 4 10.586 0.491 -11.849 177 1HG GLN 4 1HG GLN 4 13.062 -0.693 -10.819 178 2HG GLN 4 2HG GLN 4 13.020 -0.608 -12.581 179 1HE2 GLN 4 2HE2 GLN 4 14.865 1.063 -11.560 180 2HE2 GLN 4 1HE2 GLN 4 14.325 2.671 -11.513 181 H HIS 5 H HIS 5 11.392 1.327 -9.354 182 HA HIS 5 HA HIS 5 9.244 1.877 -7.571 183 1HB HIS 5 1HB HIS 5 10.683 4.085 -9.022 184 2HB HIS 5 2HB HIS 5 10.165 4.017 -7.337 185 HD1 HIS 5 HD1 HIS 5 11.654 2.670 -5.676 186 HD2 HIS 5 HD2 HIS 5 13.180 2.839 -9.552 187 HE1 HIS 5 HE1 HIS 5 14.052 1.866 -5.537 188 H LEU 6 H LEU 6 7.157 1.801 -8.328 189 HA LEU 6 HA LEU 6 6.502 2.917 -10.978 190 1HB LEU 6 1HB LEU 6 5.070 1.303 -8.908 191 2HB LEU 6 2HB LEU 6 4.096 2.286 -10.001 192 HG LEU 6 HG LEU 6 5.326 1.236 -11.929 193 1HD1 LEU 6 1HD1 LEU 6 6.560 -0.257 -9.627 194 2HD1 LEU 6 2HD1 LEU 6 6.392 -1.043 -11.196 195 3HD1 LEU 6 3HD1 LEU 6 7.343 0.434 -11.049 196 1HD2 LEU 6 1HD2 LEU 6 3.604 -0.289 -10.002 197 2HD2 LEU 6 2HD2 LEU 6 3.232 0.259 -11.636 198 3HD2 LEU 6 3HD2 LEU 6 4.274 -1.142 -11.393 199 H CYS 7 H CYS 7 7.231 5.132 -10.194 200 HA CYS 7 HA CYS 7 5.278 6.445 -8.387 201 1HB CYS 7 1HB CYS 7 7.934 6.716 -8.427 202 2HB CYS 7 2HB CYS 7 7.544 7.936 -9.640 203 H GLY 8 H GLY 8 3.804 7.947 -9.122 204 1HA GLY 8 1HA GLY 8 3.137 9.665 -10.763 205 2HA GLY 8 2HA GLY 8 3.957 8.717 -12.005 206 H SER 9 H SER 9 2.489 7.783 -13.335 207 HA SER 9 HA SER 9 -0.082 6.838 -12.138 208 1HB SER 9 1HB SER 9 -0.153 8.574 -13.997 209 2HB SER 9 2HB SER 9 0.494 7.336 -15.070 210 HG SER 9 HG SER 9 -1.981 7.447 -13.727 211 H GLU 10 H GLU 10 2.881 5.772 -13.352 212 HA GLU 10 HA GLU 10 2.193 3.440 -14.810 213 1HB GLU 10 1HB GLU 10 4.412 2.561 -13.973 214 2HB GLU 10 2HB GLU 10 4.497 4.158 -14.714 215 1HG GLU 10 1HG GLU 10 3.962 4.812 -12.113 216 2HG GLU 10 2HG GLU 10 4.949 3.365 -11.911 217 H LEU 11 H LEU 11 1.950 4.146 -11.410 218 HA LEU 11 HA LEU 11 1.807 1.361 -10.569 219 1HB LEU 11 1HB LEU 11 2.493 3.222 -9.043 220 2HB LEU 11 2HB LEU 11 0.838 3.831 -9.106 221 HG LEU 11 HG LEU 11 0.318 1.265 -8.486 222 1HD1 LEU 11 1HD1 LEU 11 3.040 1.877 -7.297 223 2HD1 LEU 11 2HD1 LEU 11 2.004 0.546 -6.782 224 3HD1 LEU 11 3HD1 LEU 11 2.653 0.574 -8.421 225 1HD2 LEU 11 1HD2 LEU 11 0.638 3.773 -7.015 226 2HD2 LEU 11 2HD2 LEU 11 -0.634 2.557 -6.891 227 3HD2 LEU 11 3HD2 LEU 11 0.866 2.359 -5.985 228 H VAL 12 H VAL 12 -0.551 3.899 -11.364 229 HA VAL 12 HA VAL 12 -2.881 2.520 -10.517 230 HB VAL 12 HB VAL 12 -2.663 4.941 -11.381 231 1HG1 VAL 12 1HG1 VAL 12 -1.855 3.729 -13.694 232 2HG1 VAL 12 2HG1 VAL 12 -3.564 3.995 -14.030 233 3HG1 VAL 12 3HG1 VAL 12 -2.523 5.357 -13.615 234 1HG2 VAL 12 1HG2 VAL 12 -4.800 3.189 -11.124 235 2HG2 VAL 12 2HG2 VAL 12 -4.925 4.936 -11.327 236 3HG2 VAL 12 3HG2 VAL 12 -5.031 3.876 -12.733 237 H GLU 13 H GLU 13 -0.897 2.159 -13.401 238 HA GLU 13 HA GLU 13 -2.739 0.580 -14.934 239 1HB GLU 13 1HB GLU 13 0.296 0.592 -14.904 240 2HB GLU 13 2HB GLU 13 -0.690 -0.212 -16.126 241 1HG GLU 13 1HG GLU 13 -1.394 2.614 -15.625 242 2HG GLU 13 2HG GLU 13 0.198 2.360 -16.341 243 H ALA 14 H ALA 14 -0.487 -0.161 -12.344 244 HA ALA 14 HA ALA 14 -0.933 -3.064 -12.620 245 1HB ALA 14 1HB ALA 14 1.201 -1.644 -11.700 246 2HB ALA 14 2HB ALA 14 0.372 -1.986 -10.180 247 3HB ALA 14 3HB ALA 14 0.872 -3.313 -11.228 248 H LEU 15 H LEU 15 -2.309 -0.366 -11.024 249 HA LEU 15 HA LEU 15 -3.477 -1.864 -8.801 250 1HB LEU 15 1HB LEU 15 -3.436 0.930 -9.749 251 2HB LEU 15 2HB LEU 15 -4.950 0.439 -8.992 252 HG LEU 15 HG LEU 15 -2.205 0.053 -7.764 253 1HD1 LEU 15 1HD1 LEU 15 -4.290 2.203 -7.517 254 2HD1 LEU 15 2HD1 LEU 15 -3.301 1.790 -6.116 255 3HD1 LEU 15 3HD1 LEU 15 -2.536 2.360 -7.600 256 1HD2 LEU 15 1HD2 LEU 15 -5.028 -0.582 -6.935 257 2HD2 LEU 15 2HD2 LEU 15 -3.589 -1.597 -6.830 258 3HD2 LEU 15 3HD2 LEU 15 -3.804 -0.251 -5.709 259 H GLU 16 H GLU 16 -4.356 -1.020 -12.079 260 HA GLU 16 HA GLU 16 -7.183 -1.719 -11.706 261 1HB GLU 16 1HB GLU 16 -7.332 -1.400 -14.153 262 2HB GLU 16 2HB GLU 16 -6.529 -0.029 -13.386 263 1HG GLU 16 1HG GLU 16 -4.334 -0.960 -13.976 264 2HG GLU 16 2HG GLU 16 -5.113 -2.365 -14.705 265 H LEU 17 H LEU 17 -4.251 -3.374 -12.265 266 HA LEU 17 HA LEU 17 -5.359 -5.612 -13.762 267 1HB LEU 17 1HB LEU 17 -2.762 -4.817 -12.672 268 2HB LEU 17 2HB LEU 17 -3.081 -6.538 -12.458 269 HG LEU 17 HG LEU 17 -3.610 -5.218 -15.110 270 1HD1 LEU 17 1HD1 LEU 17 -0.971 -6.064 -13.930 271 2HD1 LEU 17 2HD1 LEU 17 -1.250 -6.184 -15.668 272 3HD1 LEU 17 3HD1 LEU 17 -1.351 -4.617 -14.864 273 1HD2 LEU 17 1HD2 LEU 17 -2.935 -8.019 -14.164 274 2HD2 LEU 17 2HD2 LEU 17 -4.470 -7.463 -14.833 275 3HD2 LEU 17 3HD2 LEU 17 -3.042 -7.563 -15.864 276 H VAL 18 H VAL 18 -4.377 -5.127 -10.363 277 HA VAL 18 HA VAL 18 -5.120 -7.646 -9.375 278 HB VAL 18 HB VAL 18 -5.786 -6.050 -7.289 279 1HG1 VAL 18 1HG1 VAL 18 -3.587 -7.597 -8.122 280 2HG1 VAL 18 2HG1 VAL 18 -2.916 -6.081 -7.522 281 3HG1 VAL 18 3HG1 VAL 18 -3.951 -7.059 -6.482 282 1HG2 VAL 18 1HG2 VAL 18 -5.396 -4.048 -8.855 283 2HG2 VAL 18 2HG2 VAL 18 -4.592 -4.006 -7.286 284 3HG2 VAL 18 3HG2 VAL 18 -3.683 -4.447 -8.731 285 H CYS 19 H CYS 19 -7.128 -4.743 -8.812 286 HA CYS 19 HA CYS 19 -9.508 -6.293 -8.410 287 1HB CYS 19 1HB CYS 19 -9.010 -3.871 -7.667 288 2HB CYS 19 2HB CYS 19 -9.468 -3.410 -9.306 289 H GLY 20 H GLY 20 -8.943 -3.940 -11.030 290 1HA GLY 20 1HA GLY 20 -9.619 -3.959 -13.273 291 2HA GLY 20 2HA GLY 20 -9.330 -5.696 -13.213 292 H GLU 21 H GLU 21 -11.573 -3.851 -14.319 293 HA GLU 21 HA GLU 21 -13.811 -4.391 -14.869 294 1HB GLU 21 1HB GLU 21 -13.013 -6.758 -13.859 295 2HB GLU 21 2HB GLU 21 -14.156 -6.282 -12.602 296 1HG GLU 21 1HG GLU 21 -15.968 -6.394 -14.011 297 2HG GLU 21 2HG GLU 21 -15.031 -5.913 -15.424 298 H ARG 22 H ARG 22 -13.220 -4.495 -11.329 299 HA ARG 22 HA ARG 22 -15.658 -2.885 -10.909 300 1HB ARG 22 1HB ARG 22 -13.684 -3.688 -8.773 301 2HB ARG 22 2HB ARG 22 -15.410 -3.369 -8.607 302 1HG ARG 22 1HG ARG 22 -14.531 -5.598 -10.409 303 2HG ARG 22 2HG ARG 22 -14.512 -5.858 -8.666 304 1HD ARG 22 1HD ARG 22 -16.966 -4.545 -9.453 305 2HD ARG 22 2HD ARG 22 -16.743 -6.031 -10.378 306 HE ARG 22 HE ARG 22 -16.171 -6.775 -7.768 307 1HH1 ARG 22 1HH1 ARG 22 -18.775 -5.222 -9.424 308 2HH1 ARG 22 2HH1 ARG 22 -19.986 -5.806 -8.333 309 1HH2 ARG 22 1HH2 ARG 22 -17.740 -7.539 -6.340 310 2HH2 ARG 22 2HH2 ARG 22 -19.402 -7.117 -6.588 311 H GLY 23 H GLY 23 -12.259 -2.604 -9.802 312 1HA GLY 23 1HA GLY 23 -11.207 -0.375 -10.620 313 2HA GLY 23 2HA GLY 23 -12.618 0.358 -9.856 314 H PHE 24 H PHE 24 -10.508 1.340 -8.737 315 HA PHE 24 HA PHE 24 -10.365 0.010 -6.106 316 1HB PHE 24 1HB PHE 24 -7.806 0.307 -6.168 317 2HB PHE 24 2HB PHE 24 -8.474 -1.045 -7.085 318 HD1 PHE 24 HD1 PHE 24 -8.780 -0.848 -9.560 319 HD2 PHE 24 HD2 PHE 24 -6.726 2.147 -7.266 320 HE1 PHE 24 HE1 PHE 24 -7.790 0.069 -11.642 321 HE2 PHE 24 HE2 PHE 24 -5.739 3.065 -9.349 322 HZ PHE 24 HZ PHE 24 -6.270 2.025 -11.533 323 H PHE 25 H PHE 25 -8.653 1.521 -4.759 324 HA PHE 25 HA PHE 25 -9.562 4.321 -5.287 325 1HB PHE 25 1HB PHE 25 -8.741 3.045 -2.659 326 2HB PHE 25 2HB PHE 25 -9.329 4.694 -2.870 327 HD1 PHE 25 HD1 PHE 25 -11.657 4.961 -4.028 328 HD2 PHE 25 HD2 PHE 25 -10.267 1.313 -2.235 329 HE1 PHE 25 HE1 PHE 25 -13.995 4.154 -3.857 330 HE2 PHE 25 HE2 PHE 25 -12.605 0.506 -2.063 331 HZ PHE 25 HZ PHE 25 -14.469 1.927 -2.875 332 H TYR 26 H TYR 26 -7.952 5.648 -5.966 333 HA TYR 26 HA TYR 26 -5.143 4.933 -5.222 334 1HB TYR 26 1HB TYR 26 -5.864 5.036 -7.699 335 2HB TYR 26 2HB TYR 26 -5.920 6.785 -7.471 336 HD1 TYR 26 HD1 TYR 26 -3.840 7.933 -6.492 337 HD2 TYR 26 HD2 TYR 26 -3.805 3.948 -8.082 338 HE1 TYR 26 HE1 TYR 26 -1.376 8.058 -6.739 339 HE2 TYR 26 HE2 TYR 26 -1.338 4.069 -8.331 340 HH TYR 26 HH TYR 26 0.371 6.682 -8.454 341 H GLU 27 H GLU 27 -7.114 7.839 -5.968 342 HA GLU 27 HA GLU 27 -5.322 9.551 -4.440 343 1HB GLU 27 1HB GLU 27 -7.718 9.876 -6.117 344 2HB GLU 27 2HB GLU 27 -7.657 10.988 -4.749 345 1HG GLU 27 1HG GLU 27 -5.065 10.722 -6.071 346 2HG GLU 27 2HG GLU 27 -6.318 11.312 -7.163 347 HA PRO 28 HA PRO 28 -7.150 8.818 -0.474 348 1HB PRO 28 1HB PRO 28 -6.178 11.203 0.658 349 2HB PRO 28 2HB PRO 28 -5.341 9.643 0.643 350 1HG PRO 28 1HG PRO 28 -4.742 12.055 -0.892 351 2HG PRO 28 2HG PRO 28 -3.762 10.593 -0.696 352 1HD PRO 28 1HD PRO 28 -5.259 11.376 -3.001 353 2HD PRO 28 2HD PRO 28 -4.379 9.856 -2.756 354 H LYS 29 H LYS 29 -9.325 9.348 -1.564 355 HA LYS 29 HA LYS 29 -10.283 12.004 -0.583 356 1HB LYS 29 1HB LYS 29 -12.000 11.716 -2.534 357 2HB LYS 29 2HB LYS 29 -10.372 12.276 -2.911 358 1HG LYS 29 1HG LYS 29 -9.691 10.092 -3.630 359 2HG LYS 29 2HG LYS 29 -11.160 9.356 -2.988 360 1HD LYS 29 1HD LYS 29 -11.364 9.597 -5.413 361 2HD LYS 29 2HD LYS 29 -12.501 10.682 -4.613 362 1HE LYS 29 1HE LYS 29 -11.595 12.353 -5.829 363 2HE LYS 29 2HE LYS 29 -10.155 12.184 -4.824 364 1HZ LYS 29 1HZ LYS 29 -9.607 10.282 -6.466 365 2HZ LYS 29 2HZ LYS 29 -10.696 11.080 -7.496 366 3HZ LYS 29 3HZ LYS 29 -9.315 11.887 -6.925 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -0.115 0.175 2.631 2 2H GLY 1 2H GLY 1 1.440 -0.189 3.215 3 3H GLY 1 3H GLY 1 0.399 0.802 4.121 4 1HA GLY 1 1HA GLY 1 0.629 2.602 2.701 5 2HA GLY 1 2HA GLY 1 2.255 1.925 2.797 6 H ILE 2 H ILE 2 -0.660 2.061 0.802 7 HA ILE 2 HA ILE 2 0.238 0.492 -1.385 8 HB ILE 2 HB ILE 2 -2.082 1.392 -1.083 9 1HG1 ILE 2 1HG1 ILE 2 -1.136 0.538 -3.292 10 2HG1 ILE 2 2HG1 ILE 2 -2.523 1.615 -3.426 11 1HG2 ILE 2 1HG2 ILE 2 -0.748 3.960 -1.980 12 2HG2 ILE 2 2HG2 ILE 2 -2.493 3.711 -1.917 13 3HG2 ILE 2 3HG2 ILE 2 -1.541 3.669 -0.432 14 1HD1 ILE 2 1HD1 ILE 2 -0.316 3.333 -3.431 15 2HD1 ILE 2 2HD1 ILE 2 0.189 1.967 -4.422 16 3HD1 ILE 2 3HD1 ILE 2 -1.275 2.859 -4.831 17 H VAL 3 H VAL 3 0.830 3.894 -0.583 18 HA VAL 3 HA VAL 3 2.402 4.245 -3.059 19 HB VAL 3 HB VAL 3 1.889 6.163 -0.765 20 1HG1 VAL 3 1HG1 VAL 3 2.996 6.598 -3.555 21 2HG1 VAL 3 2HG1 VAL 3 2.640 7.873 -2.390 22 3HG1 VAL 3 3HG1 VAL 3 3.915 6.703 -2.053 23 1HG2 VAL 3 1HG2 VAL 3 0.495 5.647 -3.395 24 2HG2 VAL 3 2HG2 VAL 3 -0.213 5.747 -1.783 25 3HG2 VAL 3 3HG2 VAL 3 0.375 7.206 -2.580 26 H GLU 4 H GLU 4 2.928 3.581 0.325 27 HA GLU 4 HA GLU 4 5.762 4.342 0.204 28 1HB GLU 4 1HB GLU 4 4.712 2.551 2.345 29 2HB GLU 4 2HB GLU 4 5.821 3.914 2.472 30 1HG GLU 4 1HG GLU 4 3.843 5.415 1.893 31 2HG GLU 4 2HG GLU 4 2.816 4.003 2.146 32 H GLN 5 H GLN 5 3.895 1.683 -0.765 33 HA GLN 5 HA GLN 5 6.110 -0.253 -0.413 34 1HB GLN 5 1HB GLN 5 3.237 -0.423 -0.652 35 2HB GLN 5 2HB GLN 5 4.002 -1.432 -1.879 36 1HG GLN 5 1HG GLN 5 4.274 -2.973 -0.249 37 2HG GLN 5 2HG GLN 5 5.527 -1.911 0.397 38 1HE2 GLN 5 2HE2 GLN 5 3.717 -3.621 1.997 39 2HE2 GLN 5 1HE2 GLN 5 2.824 -2.575 2.992 40 H CYS 6 H CYS 6 4.477 1.583 -2.965 41 HA CYS 6 HA CYS 6 6.277 0.241 -4.942 42 1HB CYS 6 1HB CYS 6 3.542 1.395 -5.099 43 2HB CYS 6 2HB CYS 6 4.576 1.619 -6.511 44 H CYS 7 H CYS 7 5.541 3.276 -3.421 45 HA CYS 7 HA CYS 7 6.981 4.878 -5.398 46 1HB CYS 7 1HB CYS 7 5.133 5.696 -3.792 47 2HB CYS 7 2HB CYS 7 6.394 5.718 -2.561 48 H HIS 8 H HIS 8 7.671 3.330 -2.298 49 HA HIS 8 HA HIS 8 10.412 4.431 -2.279 50 1HB HIS 8 1HB HIS 8 9.133 2.413 -0.412 51 2HB HIS 8 2HB HIS 8 10.636 3.295 -0.137 52 HD1 HIS 8 HD1 HIS 8 8.021 3.532 1.685 53 HD2 HIS 8 HD2 HIS 8 9.189 6.229 -1.271 54 HE1 HIS 8 HE1 HIS 8 6.904 5.736 2.242 55 H SER 9 H SER 9 8.898 1.965 -3.892 56 HA SER 9 HA SER 9 11.305 0.774 -4.817 57 1HB SER 9 1HB SER 9 10.471 -1.546 -3.587 58 2HB SER 9 2HB SER 9 11.818 -0.549 -3.047 59 HG SER 9 HG SER 9 10.465 -0.753 -1.320 60 H ILE 10 H ILE 10 10.454 -1.805 -5.442 61 HA ILE 10 HA ILE 10 8.072 -1.192 -7.133 62 HB ILE 10 HB ILE 10 9.503 -3.662 -7.778 63 1HG1 ILE 10 1HG1 ILE 10 11.362 -2.059 -8.877 64 2HG1 ILE 10 2HG1 ILE 10 11.045 -1.128 -7.414 65 1HG2 ILE 10 1HG2 ILE 10 8.772 -1.124 -9.257 66 2HG2 ILE 10 2HG2 ILE 10 9.533 -2.516 -10.028 67 3HG2 ILE 10 3HG2 ILE 10 7.929 -2.672 -9.310 68 1HD1 ILE 10 1HD1 ILE 10 11.197 -3.681 -6.421 69 2HD1 ILE 10 2HD1 ILE 10 12.378 -3.737 -7.730 70 3HD1 ILE 10 3HD1 ILE 10 12.541 -2.539 -6.447 71 H CYS 11 H CYS 11 6.261 -2.525 -7.038 72 HA CYS 11 HA CYS 11 6.349 -4.679 -4.959 73 1HB CYS 11 1HB CYS 11 3.733 -3.528 -5.807 74 2HB CYS 11 2HB CYS 11 4.252 -4.078 -4.217 75 H SER 12 H SER 12 4.286 -6.208 -5.446 76 HA SER 12 HA SER 12 4.592 -7.029 -8.303 77 1HB SER 12 1HB SER 12 3.514 -9.215 -7.183 78 2HB SER 12 2HB SER 12 5.250 -8.920 -7.161 79 HG SER 12 HG SER 12 5.155 -8.539 -5.083 80 H LEU 13 H LEU 13 2.046 -8.327 -6.305 81 HA LEU 13 HA LEU 13 0.047 -6.429 -7.346 82 1HB LEU 13 1HB LEU 13 0.365 -9.235 -8.331 83 2HB LEU 13 2HB LEU 13 -1.273 -8.620 -8.099 84 HG LEU 13 HG LEU 13 0.817 -7.070 -9.633 85 1HD1 LEU 13 1HD1 LEU 13 -1.007 -9.290 -10.527 86 2HD1 LEU 13 2HD1 LEU 13 -0.576 -7.995 -11.643 87 3HD1 LEU 13 3HD1 LEU 13 0.683 -9.012 -10.943 88 1HD2 LEU 13 1HD2 LEU 13 -1.379 -6.056 -8.690 89 2HD2 LEU 13 2HD2 LEU 13 -1.011 -5.773 -10.391 90 3HD2 LEU 13 3HD2 LEU 13 -2.185 -7.010 -9.937 91 H TYR 14 H TYR 14 0.710 -9.428 -5.562 92 HA TYR 14 HA TYR 14 -1.686 -9.743 -4.158 93 1HB TYR 14 1HB TYR 14 0.690 -10.980 -4.020 94 2HB TYR 14 2HB TYR 14 0.840 -9.968 -2.584 95 HD1 TYR 14 HD1 TYR 14 -1.174 -9.968 -0.931 96 HD2 TYR 14 HD2 TYR 14 -0.524 -12.986 -3.919 97 HE1 TYR 14 HE1 TYR 14 -2.643 -11.524 0.321 98 HE2 TYR 14 HE2 TYR 14 -1.995 -14.542 -2.666 99 HH TYR 14 HH TYR 14 -4.142 -13.772 -0.594 100 H GLN 15 H GLN 15 0.914 -7.411 -3.596 101 HA GLN 15 HA GLN 15 -0.142 -6.401 -1.108 102 1HB GLN 15 1HB GLN 15 1.433 -4.652 -2.968 103 2HB GLN 15 2HB GLN 15 1.553 -4.814 -1.215 104 1HG GLN 15 1HG GLN 15 2.219 -7.336 -1.982 105 2HG GLN 15 2HG GLN 15 2.843 -6.413 -3.349 106 1HE2 GLN 15 2HE2 GLN 15 5.042 -7.078 -2.452 107 2HE2 GLN 15 1HE2 GLN 15 5.709 -6.154 -1.194 108 H LEU 16 H LEU 16 -0.569 -5.478 -4.516 109 HA LEU 16 HA LEU 16 -2.232 -3.179 -3.866 110 1HB LEU 16 1HB LEU 16 -2.285 -4.625 -6.511 111 2HB LEU 16 2HB LEU 16 -2.482 -2.901 -6.191 112 HG LEU 16 HG LEU 16 0.067 -4.525 -6.006 113 1HD1 LEU 16 1HD1 LEU 16 -0.864 -2.187 -7.691 114 2HD1 LEU 16 2HD1 LEU 16 0.820 -2.703 -7.604 115 3HD1 LEU 16 3HD1 LEU 16 -0.405 -3.794 -8.250 116 1HD2 LEU 16 1HD2 LEU 16 -0.750 -2.017 -4.675 117 2HD2 LEU 16 2HD2 LEU 16 0.564 -3.125 -4.278 118 3HD2 LEU 16 3HD2 LEU 16 0.781 -1.918 -5.545 119 H GLU 17 H GLU 17 -2.742 -6.514 -3.777 120 HA GLU 17 HA GLU 17 -5.487 -6.612 -4.675 121 1HB GLU 17 1HB GLU 17 -3.542 -8.458 -3.729 122 2HB GLU 17 2HB GLU 17 -4.952 -8.609 -2.680 123 1HG GLU 17 1HG GLU 17 -6.408 -8.999 -4.558 124 2HG GLU 17 2HG GLU 17 -5.127 -8.598 -5.702 125 H ASN 18 H ASN 18 -3.944 -5.564 -1.754 126 HA ASN 18 HA ASN 18 -6.369 -5.824 -0.121 127 1HB ASN 18 1HB ASN 18 -4.246 -3.984 0.805 128 2HB ASN 18 2HB ASN 18 -5.039 -5.306 1.659 129 1HD2 ASN 18 2HD2 ASN 18 -2.054 -4.593 1.195 130 2HD2 ASN 18 1HD2 ASN 18 -1.380 -6.048 0.634 131 H TYR 19 H TYR 19 -4.998 -3.511 -2.289 132 HA TYR 19 HA TYR 19 -6.623 -1.298 -1.198 133 1HB TYR 19 1HB TYR 19 -5.028 -1.218 -3.760 134 2HB TYR 19 2HB TYR 19 -5.433 0.111 -2.673 135 HD1 TYR 19 HD1 TYR 19 -4.838 -1.401 -0.068 136 HD2 TYR 19 HD2 TYR 19 -2.623 -0.954 -3.720 137 HE1 TYR 19 HE1 TYR 19 -2.721 -1.771 1.170 138 HE2 TYR 19 HE2 TYR 19 -0.508 -1.324 -2.483 139 HH TYR 19 HH TYR 19 -0.284 -1.177 0.860 140 H CYS 20 H CYS 20 -7.779 -3.798 -2.435 141 HA CYS 20 HA CYS 20 -9.209 -2.583 -4.756 142 1HB CYS 20 1HB CYS 20 -8.269 -4.677 -5.394 143 2HB CYS 20 2HB CYS 20 -8.745 -5.442 -3.880 144 H ASN 21 H ASN 21 -11.480 -2.448 -4.707 145 HA ASN 21 HA ASN 21 -12.718 -2.158 -2.139 146 1HB ASN 21 1HB ASN 21 -13.723 -2.231 -4.972 147 2HB ASN 21 2HB ASN 21 -14.875 -2.258 -3.636 148 1HD2 ASN 21 2HD2 ASN 21 -13.600 -0.118 -5.715 149 2HD2 ASN 21 1HD2 ASN 21 -13.487 1.260 -4.729 150 1H GLU 1 1H GLU 1 11.607 0.896 -17.029 151 2H GLU 1 2H GLU 1 13.119 1.626 -16.766 152 3H GLU 1 3H GLU 1 12.259 0.955 -15.463 153 HA GLU 1 HA GLU 1 12.057 3.338 -15.400 154 1HB GLU 1 1HB GLU 1 12.285 3.266 -18.073 155 2HB GLU 1 2HB GLU 1 10.527 3.348 -17.961 156 1HG GLU 1 1HG GLU 1 11.166 5.251 -16.157 157 2HG GLU 1 2HG GLU 1 12.568 5.379 -17.220 158 H VAL 2 H VAL 2 10.269 0.568 -15.746 159 HA VAL 2 HA VAL 2 7.856 1.919 -14.616 160 HB VAL 2 HB VAL 2 7.322 1.301 -16.916 161 1HG1 VAL 2 1HG1 VAL 2 9.055 -0.883 -16.331 162 2HG1 VAL 2 2HG1 VAL 2 7.476 -1.558 -16.734 163 3HG1 VAL 2 3HG1 VAL 2 8.296 -0.490 -17.873 164 1HG2 VAL 2 1HG2 VAL 2 5.865 0.599 -14.718 165 2HG2 VAL 2 2HG2 VAL 2 5.298 0.383 -16.374 166 3HG2 VAL 2 3HG2 VAL 2 6.034 -0.967 -15.510 167 H ASN 3 H ASN 3 10.324 -0.182 -14.041 168 HA ASN 3 HA ASN 3 8.699 -1.654 -12.016 169 1HB ASN 3 1HB ASN 3 10.363 -3.587 -12.449 170 2HB ASN 3 2HB ASN 3 9.090 -3.333 -13.645 171 1HD2 ASN 3 2HD2 ASN 3 9.773 -3.026 -15.780 172 2HD2 ASN 3 1HD2 ASN 3 11.367 -2.668 -16.240 173 H GLN 4 H GLN 4 9.759 0.441 -10.989 174 HA GLN 4 HA GLN 4 12.134 -0.507 -9.524 175 1HB GLN 4 1HB GLN 4 12.160 1.662 -11.517 176 2HB GLN 4 2HB GLN 4 12.886 2.078 -9.965 177 1HG GLN 4 1HG GLN 4 13.598 -0.559 -11.177 178 2HG GLN 4 2HG GLN 4 14.310 0.891 -11.884 179 1HE2 GLN 4 2HE2 GLN 4 14.630 2.481 -9.538 180 2HE2 GLN 4 1HE2 GLN 4 15.753 1.723 -8.518 181 H HIS 5 H HIS 5 9.792 2.056 -9.998 182 HA HIS 5 HA HIS 5 9.190 2.103 -7.140 183 1HB HIS 5 1HB HIS 5 10.436 4.523 -8.481 184 2HB HIS 5 2HB HIS 5 9.741 4.508 -6.858 185 HD1 HIS 5 HD1 HIS 5 12.821 3.775 -8.699 186 HD2 HIS 5 HD2 HIS 5 11.156 2.625 -5.060 187 HE1 HIS 5 HE1 HIS 5 14.682 2.704 -7.361 188 H LEU 6 H LEU 6 7.291 1.394 -8.716 189 HA LEU 6 HA LEU 6 5.891 3.181 -10.346 190 1HB LEU 6 1HB LEU 6 4.995 0.960 -8.529 191 2HB LEU 6 2HB LEU 6 3.795 1.954 -9.356 192 HG LEU 6 HG LEU 6 5.037 1.468 -11.514 193 1HD1 LEU 6 1HD1 LEU 6 6.478 -0.390 -9.616 194 2HD1 LEU 6 2HD1 LEU 6 6.400 -0.712 -11.348 195 3HD1 LEU 6 3HD1 LEU 6 7.174 0.758 -10.759 196 1HD2 LEU 6 1HD2 LEU 6 3.848 -0.853 -9.958 197 2HD2 LEU 6 2HD2 LEU 6 2.958 0.295 -10.958 198 3HD2 LEU 6 3HD2 LEU 6 4.087 -0.835 -11.705 199 H CYS 7 H CYS 7 6.017 5.322 -9.515 200 HA CYS 7 HA CYS 7 4.264 5.803 -7.141 201 1HB CYS 7 1HB CYS 7 6.815 6.150 -6.820 202 2HB CYS 7 2HB CYS 7 6.605 7.572 -7.842 203 H GLY 8 H GLY 8 2.434 6.629 -8.081 204 1HA GLY 8 1HA GLY 8 1.698 8.975 -8.857 205 2HA GLY 8 2HA GLY 8 2.786 8.691 -10.216 206 H SER 9 H SER 9 1.858 7.838 -12.008 207 HA SER 9 HA SER 9 -0.892 6.756 -11.787 208 1HB SER 9 1HB SER 9 0.722 8.051 -13.879 209 2HB SER 9 2HB SER 9 -0.221 6.683 -14.464 210 HG SER 9 HG SER 9 -1.447 8.505 -12.736 211 H GLU 10 H GLU 10 2.308 5.793 -13.035 212 HA GLU 10 HA GLU 10 1.806 3.313 -14.128 213 1HB GLU 10 1HB GLU 10 4.011 2.581 -13.034 214 2HB GLU 10 2HB GLU 10 4.074 4.028 -14.039 215 1HG GLU 10 1HG GLU 10 3.491 5.206 -11.707 216 2HG GLU 10 2HG GLU 10 4.294 3.769 -11.077 217 H LEU 11 H LEU 11 1.630 4.180 -10.722 218 HA LEU 11 HA LEU 11 1.414 1.469 -9.735 219 1HB LEU 11 1HB LEU 11 1.987 3.614 -8.414 220 2HB LEU 11 2HB LEU 11 0.251 3.917 -8.398 221 HG LEU 11 HG LEU 11 0.973 2.724 -6.356 222 1HD1 LEU 11 1HD1 LEU 11 -1.234 2.226 -7.785 223 2HD1 LEU 11 2HD1 LEU 11 -0.497 0.628 -7.887 224 3HD1 LEU 11 3HD1 LEU 11 -0.861 1.332 -6.312 225 1HD2 LEU 11 1HD2 LEU 11 2.885 1.538 -7.530 226 2HD2 LEU 11 2HD2 LEU 11 1.926 0.516 -6.460 227 3HD2 LEU 11 3HD2 LEU 11 1.688 0.433 -8.205 228 H VAL 12 H VAL 12 -0.996 4.021 -10.423 229 HA VAL 12 HA VAL 12 -3.298 2.500 -9.772 230 HB VAL 12 HB VAL 12 -3.253 4.971 -10.252 231 1HG1 VAL 12 1HG1 VAL 12 -2.586 3.905 -12.938 232 2HG1 VAL 12 2HG1 VAL 12 -3.747 5.229 -12.901 233 3HG1 VAL 12 3HG1 VAL 12 -2.146 5.438 -12.194 234 1HG2 VAL 12 1HG2 VAL 12 -5.211 3.085 -11.534 235 2HG2 VAL 12 2HG2 VAL 12 -5.427 4.115 -10.119 236 3HG2 VAL 12 3HG2 VAL 12 -5.417 4.824 -11.734 237 H GLU 13 H GLU 13 -1.200 2.401 -12.557 238 HA GLU 13 HA GLU 13 -3.016 1.020 -14.327 239 1HB GLU 13 1HB GLU 13 -0.897 2.201 -15.034 240 2HB GLU 13 2HB GLU 13 0.013 0.875 -14.309 241 1HG GLU 13 1HG GLU 13 -2.018 -0.261 -15.963 242 2HG GLU 13 2HG GLU 13 -1.184 0.979 -16.900 243 H ALA 14 H ALA 14 -0.753 0.015 -11.824 244 HA ALA 14 HA ALA 14 -1.200 -2.841 -12.429 245 1HB ALA 14 1HB ALA 14 0.858 -1.361 -11.174 246 2HB ALA 14 2HB ALA 14 0.128 -2.349 -9.906 247 3HB ALA 14 3HB ALA 14 0.768 -3.113 -11.362 248 H LEU 15 H LEU 15 -2.603 -0.361 -10.561 249 HA LEU 15 HA LEU 15 -3.676 -2.102 -8.466 250 1HB LEU 15 1HB LEU 15 -3.703 0.784 -9.107 251 2HB LEU 15 2HB LEU 15 -5.183 0.185 -8.357 252 HG LEU 15 HG LEU 15 -2.402 -0.318 -7.265 253 1HD1 LEU 15 1HD1 LEU 15 -3.102 2.097 -7.206 254 2HD1 LEU 15 2HD1 LEU 15 -4.505 1.613 -6.252 255 3HD1 LEU 15 3HD1 LEU 15 -2.879 1.381 -5.608 256 1HD2 LEU 15 1HD2 LEU 15 -4.165 -1.992 -6.684 257 2HD2 LEU 15 2HD2 LEU 15 -3.617 -1.083 -5.278 258 3HD2 LEU 15 3HD2 LEU 15 -5.155 -0.685 -6.040 259 H GLU 16 H GLU 16 -4.612 -1.000 -11.629 260 HA GLU 16 HA GLU 16 -7.444 -1.667 -11.276 261 1HB GLU 16 1HB GLU 16 -7.597 -1.205 -13.704 262 2HB GLU 16 2HB GLU 16 -6.771 0.102 -12.855 263 1HG GLU 16 1HG GLU 16 -4.615 -0.689 -13.565 264 2HG GLU 16 2HG GLU 16 -5.306 -2.184 -14.194 265 H LEU 17 H LEU 17 -4.547 -3.351 -12.083 266 HA LEU 17 HA LEU 17 -5.810 -5.468 -13.629 267 1HB LEU 17 1HB LEU 17 -3.168 -4.696 -13.014 268 2HB LEU 17 2HB LEU 17 -3.372 -6.299 -12.308 269 HG LEU 17 HG LEU 17 -4.443 -6.944 -14.572 270 1HD1 LEU 17 1HD1 LEU 17 -2.993 -4.381 -15.301 271 2HD1 LEU 17 2HD1 LEU 17 -3.562 -5.570 -16.473 272 3HD1 LEU 17 3HD1 LEU 17 -4.720 -4.697 -15.469 273 1HD2 LEU 17 1HD2 LEU 17 -1.632 -6.622 -13.778 274 2HD2 LEU 17 2HD2 LEU 17 -2.446 -8.021 -14.478 275 3HD2 LEU 17 3HD2 LEU 17 -1.856 -6.729 -15.525 276 H VAL 18 H VAL 18 -4.792 -5.073 -10.246 277 HA VAL 18 HA VAL 18 -5.575 -7.723 -9.444 278 HB VAL 18 HB VAL 18 -5.801 -6.294 -7.145 279 1HG1 VAL 18 1HG1 VAL 18 -4.229 -8.214 -7.894 280 2HG1 VAL 18 2HG1 VAL 18 -3.083 -6.925 -8.260 281 3HG1 VAL 18 3HG1 VAL 18 -3.673 -7.137 -6.612 282 1HG2 VAL 18 1HG2 VAL 18 -5.300 -4.199 -8.554 283 2HG2 VAL 18 2HG2 VAL 18 -4.344 -4.433 -7.091 284 3HG2 VAL 18 3HG2 VAL 18 -3.654 -4.826 -8.665 285 H CYS 19 H CYS 19 -7.130 -4.595 -8.653 286 HA CYS 19 HA CYS 19 -9.639 -5.937 -8.013 287 1HB CYS 19 1HB CYS 19 -8.565 -3.702 -7.083 288 2HB CYS 19 2HB CYS 19 -9.408 -2.984 -8.451 289 H GLY 20 H GLY 20 -8.851 -3.363 -10.365 290 1HA GLY 20 1HA GLY 20 -9.911 -2.808 -12.390 291 2HA GLY 20 2HA GLY 20 -9.707 -4.525 -12.718 292 H GLU 21 H GLU 21 -11.498 -5.856 -12.669 293 HA GLU 21 HA GLU 21 -14.006 -5.072 -13.332 294 1HB GLU 21 1HB GLU 21 -13.250 -7.449 -13.048 295 2HB GLU 21 2HB GLU 21 -13.543 -7.284 -11.316 296 1HG GLU 21 1HG GLU 21 -15.870 -6.304 -12.557 297 2HG GLU 21 2HG GLU 21 -15.449 -7.769 -13.445 298 H ARG 22 H ARG 22 -12.869 -5.208 -9.951 299 HA ARG 22 HA ARG 22 -15.468 -4.151 -9.037 300 1HB ARG 22 1HB ARG 22 -12.958 -5.079 -7.657 301 2HB ARG 22 2HB ARG 22 -14.203 -4.197 -6.772 302 1HG ARG 22 1HG ARG 22 -15.666 -5.947 -6.837 303 2HG ARG 22 2HG ARG 22 -15.191 -6.408 -8.472 304 1HD ARG 22 1HD ARG 22 -13.491 -6.895 -6.011 305 2HD ARG 22 2HD ARG 22 -14.547 -8.105 -6.741 306 HE ARG 22 HE ARG 22 -12.963 -7.266 -8.848 307 1HH1 ARG 22 1HH1 ARG 22 -12.424 -8.437 -5.643 308 2HH1 ARG 22 2HH1 ARG 22 -10.914 -9.188 -6.034 309 1HH2 ARG 22 1HH2 ARG 22 -10.995 -8.238 -9.367 310 2HH2 ARG 22 2HH2 ARG 22 -10.106 -9.075 -8.138 311 H GLY 23 H GLY 23 -12.045 -3.095 -9.021 312 1HA GLY 23 1HA GLY 23 -11.489 -0.776 -9.596 313 2HA GLY 23 2HA GLY 23 -13.062 -0.290 -8.962 314 H PHE 24 H PHE 24 -10.470 0.776 -8.162 315 HA PHE 24 HA PHE 24 -10.568 0.021 -5.271 316 1HB PHE 24 1HB PHE 24 -8.068 0.548 -5.259 317 2HB PHE 24 2HB PHE 24 -8.532 -0.950 -6.068 318 HD1 PHE 24 HD1 PHE 24 -9.023 -0.777 -8.634 319 HD2 PHE 24 HD2 PHE 24 -6.771 2.128 -6.410 320 HE1 PHE 24 HE1 PHE 24 -7.997 0.040 -10.739 321 HE2 PHE 24 HE2 PHE 24 -5.745 2.943 -8.516 322 HZ PHE 24 HZ PHE 24 -6.360 1.898 -10.679 323 H PHE 25 H PHE 25 -8.911 1.910 -4.228 324 HA PHE 25 HA PHE 25 -10.087 4.495 -5.174 325 1HB PHE 25 1HB PHE 25 -9.710 5.106 -2.637 326 2HB PHE 25 2HB PHE 25 -11.150 4.207 -3.117 327 HD1 PHE 25 HD1 PHE 25 -7.825 3.975 -1.530 328 HD2 PHE 25 HD2 PHE 25 -11.400 1.845 -2.597 329 HE1 PHE 25 HE1 PHE 25 -7.141 2.095 -0.066 330 HE2 PHE 25 HE2 PHE 25 -10.715 -0.036 -1.135 331 HZ PHE 25 HZ PHE 25 -8.586 0.088 0.131 332 H TYR 26 H TYR 26 -8.432 5.602 -6.105 333 HA TYR 26 HA TYR 26 -5.777 5.543 -4.724 334 1HB TYR 26 1HB TYR 26 -6.183 4.629 -7.211 335 2HB TYR 26 2HB TYR 26 -5.991 6.339 -7.593 336 HD1 TYR 26 HD1 TYR 26 -4.150 6.618 -4.940 337 HD2 TYR 26 HD2 TYR 26 -4.065 4.208 -8.496 338 HE1 TYR 26 HE1 TYR 26 -1.689 6.388 -4.727 339 HE2 TYR 26 HE2 TYR 26 -1.608 3.979 -8.284 340 HH TYR 26 HH TYR 26 0.247 5.909 -6.205 341 H GLU 27 H GLU 27 -4.936 7.734 -6.625 342 HA GLU 27 HA GLU 27 -6.508 9.962 -5.400 343 1HB GLU 27 1HB GLU 27 -3.514 9.772 -5.837 344 2HB GLU 27 2HB GLU 27 -4.352 11.252 -5.368 345 1HG GLU 27 1HG GLU 27 -4.630 8.689 -3.794 346 2HG GLU 27 2HG GLU 27 -3.353 9.860 -3.461 347 HA PRO 28 HA PRO 28 -7.185 11.351 -9.510 348 1HB PRO 28 1HB PRO 28 -7.239 14.111 -8.764 349 2HB PRO 28 2HB PRO 28 -8.620 13.033 -9.010 350 1HG PRO 28 1HG PRO 28 -7.588 14.070 -6.515 351 2HG PRO 28 2HG PRO 28 -9.016 13.057 -6.772 352 1HD PRO 28 1HD PRO 28 -6.505 12.279 -5.626 353 2HD PRO 28 2HD PRO 28 -7.917 11.255 -5.938 354 H LYS 29 H LYS 29 -5.044 13.541 -7.641 355 HA LYS 29 HA LYS 29 -3.393 13.909 -10.081 356 1HB LYS 29 1HB LYS 29 -2.291 15.708 -8.768 357 2HB LYS 29 2HB LYS 29 -4.035 15.944 -8.875 358 1HG LYS 29 1HG LYS 29 -4.126 15.999 -6.629 359 2HG LYS 29 2HG LYS 29 -3.596 14.317 -6.601 360 1HD LYS 29 1HD LYS 29 -2.064 15.664 -5.260 361 2HD LYS 29 2HD LYS 29 -1.228 15.103 -6.708 362 1HE LYS 29 1HE LYS 29 -1.660 17.269 -7.805 363 2HE LYS 29 2HE LYS 29 -2.505 17.833 -6.364 364 1HZ LYS 29 1HZ LYS 29 0.131 16.771 -5.864 365 2HZ LYS 29 2HZ LYS 29 0.119 18.172 -6.825 366 3HZ LYS 29 3HZ LYS 29 -0.596 18.194 -5.287 Start of MODEL 5 1 1H GLY 1 1H GLY 1 1.714 3.411 2.141 2 2H GLY 1 2H GLY 1 0.217 3.741 2.871 3 3H GLY 1 3H GLY 1 1.462 3.028 3.776 4 1HA GLY 1 1HA GLY 1 1.172 0.975 2.880 5 2HA GLY 1 2HA GLY 1 -0.480 1.591 2.803 6 H ILE 2 H ILE 2 -1.163 2.589 0.741 7 HA ILE 2 HA ILE 2 -0.451 0.992 -1.519 8 HB ILE 2 HB ILE 2 -2.626 2.061 -1.409 9 1HG1 ILE 2 1HG1 ILE 2 -0.916 3.285 -3.599 10 2HG1 ILE 2 2HG1 ILE 2 -1.677 1.695 -3.658 11 1HG2 ILE 2 1HG2 ILE 2 -1.302 4.185 -0.315 12 2HG2 ILE 2 2HG2 ILE 2 -1.605 4.784 -1.946 13 3HG2 ILE 2 3HG2 ILE 2 -2.952 4.266 -0.932 14 1HD1 ILE 2 1HD1 ILE 2 -3.420 4.044 -3.057 15 2HD1 ILE 2 2HD1 ILE 2 -2.862 3.840 -4.718 16 3HD1 ILE 2 3HD1 ILE 2 -3.797 2.563 -3.939 17 H VAL 3 H VAL 3 0.550 4.262 -0.532 18 HA VAL 3 HA VAL 3 2.310 4.462 -2.898 19 HB VAL 3 HB VAL 3 1.781 6.359 -0.592 20 1HG1 VAL 3 1HG1 VAL 3 4.098 6.526 -1.560 21 2HG1 VAL 3 2HG1 VAL 3 3.364 6.850 -3.130 22 3HG1 VAL 3 3HG1 VAL 3 3.125 7.978 -1.796 23 1HG2 VAL 3 1HG2 VAL 3 0.456 5.805 -3.100 24 2HG2 VAL 3 2HG2 VAL 3 -0.011 6.939 -1.832 25 3HG2 VAL 3 3HG2 VAL 3 1.092 7.449 -3.110 26 H GLU 4 H GLU 4 2.557 4.064 0.614 27 HA GLU 4 HA GLU 4 5.450 4.246 0.659 28 1HB GLU 4 1HB GLU 4 3.495 3.025 2.610 29 2HB GLU 4 2HB GLU 4 5.206 3.281 2.944 30 1HG GLU 4 1HG GLU 4 4.944 5.526 3.241 31 2HG GLU 4 2HG GLU 4 3.774 5.658 1.928 32 H GLN 5 H GLN 5 3.370 1.900 -0.546 33 HA GLN 5 HA GLN 5 5.320 -0.289 0.007 34 1HB GLN 5 1HB GLN 5 2.440 -0.350 -0.928 35 2HB GLN 5 2HB GLN 5 3.468 -1.780 -0.836 36 1HG GLN 5 1HG GLN 5 3.331 -0.044 1.584 37 2HG GLN 5 2HG GLN 5 1.913 -1.026 1.213 38 1HE2 GLN 5 2HE2 GLN 5 1.994 -3.055 2.172 39 2HE2 GLN 5 1HE2 GLN 5 3.414 -3.920 2.512 40 H CYS 6 H CYS 6 3.694 1.465 -2.613 41 HA CYS 6 HA CYS 6 5.344 -0.073 -4.568 42 1HB CYS 6 1HB CYS 6 2.758 1.441 -4.773 43 2HB CYS 6 2HB CYS 6 3.751 1.212 -6.212 44 H CYS 7 H CYS 7 4.496 3.240 -3.577 45 HA CYS 7 HA CYS 7 6.335 4.412 -5.520 46 1HB CYS 7 1HB CYS 7 4.410 5.723 -4.899 47 2HB CYS 7 2HB CYS 7 4.808 5.594 -3.188 48 H HIS 8 H HIS 8 6.474 3.487 -2.108 49 HA HIS 8 HA HIS 8 8.964 4.912 -1.616 50 1HB HIS 8 1HB HIS 8 7.319 2.897 -0.131 51 2HB HIS 8 2HB HIS 8 8.980 3.189 0.383 52 HD1 HIS 8 HD1 HIS 8 7.284 4.119 2.495 53 HD2 HIS 8 HD2 HIS 8 7.797 6.499 -0.889 54 HE1 HIS 8 HE1 HIS 8 6.637 6.473 3.171 55 H SER 9 H SER 9 8.195 2.002 -3.242 56 HA SER 9 HA SER 9 11.024 1.451 -3.679 57 1HB SER 9 1HB SER 9 10.349 -1.062 -2.826 58 2HB SER 9 2HB SER 9 11.242 0.108 -1.858 59 HG SER 9 HG SER 9 9.101 -0.944 -1.104 60 H ILE 10 H ILE 10 10.873 -1.131 -4.645 61 HA ILE 10 HA ILE 10 9.043 -0.752 -6.955 62 HB ILE 10 HB ILE 10 11.381 -2.634 -6.515 63 1HG1 ILE 10 1HG1 ILE 10 11.001 -0.224 -8.322 64 2HG1 ILE 10 2HG1 ILE 10 11.995 -0.267 -6.865 65 1HG2 ILE 10 1HG2 ILE 10 9.169 -2.753 -8.371 66 2HG2 ILE 10 2HG2 ILE 10 10.677 -2.477 -9.245 67 3HG2 ILE 10 3HG2 ILE 10 10.517 -3.875 -8.182 68 1HD1 ILE 10 1HD1 ILE 10 12.453 -2.253 -9.082 69 2HD1 ILE 10 2HD1 ILE 10 13.160 -0.640 -9.166 70 3HD1 ILE 10 3HD1 ILE 10 13.574 -1.715 -7.831 71 H CYS 11 H CYS 11 7.135 -1.383 -5.662 72 HA CYS 11 HA CYS 11 6.917 -3.947 -4.396 73 1HB CYS 11 1HB CYS 11 4.490 -3.554 -4.477 74 2HB CYS 11 2HB CYS 11 5.330 -2.083 -3.989 75 H SER 12 H SER 12 4.572 -5.020 -5.631 76 HA SER 12 HA SER 12 5.599 -5.821 -8.320 77 1HB SER 12 1HB SER 12 4.381 -8.098 -7.503 78 2HB SER 12 2HB SER 12 6.102 -7.797 -7.280 79 HG SER 12 HG SER 12 5.727 -7.205 -5.199 80 H LEU 13 H LEU 13 2.739 -6.637 -6.330 81 HA LEU 13 HA LEU 13 0.888 -5.012 -7.754 82 1HB LEU 13 1HB LEU 13 1.720 -7.420 -9.145 83 2HB LEU 13 2HB LEU 13 -0.007 -7.467 -8.789 84 HG LEU 13 HG LEU 13 0.842 -4.832 -9.706 85 1HD1 LEU 13 1HD1 LEU 13 1.937 -7.139 -11.072 86 2HD1 LEU 13 2HD1 LEU 13 0.815 -6.276 -12.124 87 3HD1 LEU 13 3HD1 LEU 13 2.187 -5.427 -11.412 88 1HD2 LEU 13 1HD2 LEU 13 -1.410 -6.566 -9.772 89 2HD2 LEU 13 2HD2 LEU 13 -1.323 -4.894 -10.325 90 3HD2 LEU 13 3HD2 LEU 13 -0.985 -6.212 -11.447 91 H TYR 14 H TYR 14 1.479 -8.047 -6.049 92 HA TYR 14 HA TYR 14 -1.147 -8.627 -5.183 93 1HB TYR 14 1HB TYR 14 1.375 -8.952 -3.532 94 2HB TYR 14 2HB TYR 14 -0.119 -9.877 -3.379 95 HD1 TYR 14 HD1 TYR 14 -0.854 -10.446 -6.146 96 HD2 TYR 14 HD2 TYR 14 3.021 -10.445 -4.292 97 HE1 TYR 14 HE1 TYR 14 -0.037 -12.049 -7.852 98 HE2 TYR 14 HE2 TYR 14 3.837 -12.050 -5.999 99 HH TYR 14 HH TYR 14 2.957 -12.563 -8.607 100 H GLN 15 H GLN 15 1.184 -6.263 -3.980 101 HA GLN 15 HA GLN 15 -0.194 -5.593 -1.562 102 1HB GLN 15 1HB GLN 15 1.483 -3.749 -3.291 103 2HB GLN 15 2HB GLN 15 1.150 -3.569 -1.568 104 1HG GLN 15 1HG GLN 15 2.786 -5.732 -2.914 105 2HG GLN 15 2HG GLN 15 3.340 -4.538 -1.738 106 1HE2 GLN 15 2HE2 GLN 15 3.084 -7.666 -1.715 107 2HE2 GLN 15 1HE2 GLN 15 2.333 -7.973 -0.224 108 H LEU 16 H LEU 16 -0.553 -4.497 -4.904 109 HA LEU 16 HA LEU 16 -2.446 -2.390 -4.240 110 1HB LEU 16 1HB LEU 16 -1.980 -3.771 -6.901 111 2HB LEU 16 2HB LEU 16 -2.775 -2.216 -6.651 112 HG LEU 16 HG LEU 16 0.092 -2.802 -5.864 113 1HD1 LEU 16 1HD1 LEU 16 -1.153 -1.727 -8.371 114 2HD1 LEU 16 2HD1 LEU 16 0.398 -1.075 -7.842 115 3HD1 LEU 16 3HD1 LEU 16 0.236 -2.797 -8.185 116 1HD2 LEU 16 1HD2 LEU 16 -1.685 -0.363 -5.832 117 2HD2 LEU 16 2HD2 LEU 16 -0.698 -1.020 -4.526 118 3HD2 LEU 16 3HD2 LEU 16 0.070 -0.207 -5.889 119 H GLU 17 H GLU 17 -2.645 -5.786 -4.474 120 HA GLU 17 HA GLU 17 -5.425 -5.920 -5.347 121 1HB GLU 17 1HB GLU 17 -3.465 -7.754 -5.325 122 2HB GLU 17 2HB GLU 17 -4.207 -8.143 -3.774 123 1HG GLU 17 1HG GLU 17 -6.400 -8.377 -4.863 124 2HG GLU 17 2HG GLU 17 -5.679 -7.959 -6.418 125 H ASN 18 H ASN 18 -3.887 -5.054 -2.458 126 HA ASN 18 HA ASN 18 -6.159 -5.939 -0.764 127 1HB ASN 18 1HB ASN 18 -4.037 -4.281 0.456 128 2HB ASN 18 2HB ASN 18 -4.739 -5.799 1.014 129 1HD2 ASN 18 2HD2 ASN 18 -4.099 -7.738 -0.621 130 2HD2 ASN 18 1HD2 ASN 18 -2.454 -7.785 -1.036 131 H TYR 19 H TYR 19 -5.359 -3.323 -2.688 132 HA TYR 19 HA TYR 19 -6.783 -1.378 -0.935 133 1HB TYR 19 1HB TYR 19 -5.439 -0.729 -3.554 134 2HB TYR 19 2HB TYR 19 -5.769 0.345 -2.195 135 HD1 TYR 19 HD1 TYR 19 -4.880 -1.840 -0.099 136 HD2 TYR 19 HD2 TYR 19 -3.054 -0.143 -3.597 137 HE1 TYR 19 HE1 TYR 19 -2.636 -2.338 0.832 138 HE2 TYR 19 HE2 TYR 19 -0.811 -0.640 -2.668 139 HH TYR 19 HH TYR 19 -0.441 -2.105 0.562 140 H CYS 20 H CYS 20 -8.186 -3.529 -2.352 141 HA CYS 20 HA CYS 20 -9.466 -2.243 -4.663 142 1HB CYS 20 1HB CYS 20 -9.130 -4.665 -4.703 143 2HB CYS 20 2HB CYS 20 -10.070 -4.841 -3.221 144 H ASN 21 H ASN 21 -11.741 -1.727 -4.728 145 HA ASN 21 HA ASN 21 -12.701 -0.333 -2.422 146 1HB ASN 21 1HB ASN 21 -14.733 0.010 -3.679 147 2HB ASN 21 2HB ASN 21 -13.397 0.072 -4.824 148 1HD2 ASN 21 2HD2 ASN 21 -16.017 -0.560 -5.656 149 2HD2 ASN 21 1HD2 ASN 21 -16.061 -2.180 -6.166 150 1H GLU 1 1H GLU 1 10.189 -2.147 -19.504 151 2H GLU 1 2H GLU 1 10.450 -0.482 -19.290 152 3H GLU 1 3H GLU 1 11.662 -1.447 -19.981 153 HA GLU 1 HA GLU 1 12.019 -2.606 -17.937 154 1HB GLU 1 1HB GLU 1 11.909 0.410 -17.748 155 2HB GLU 1 2HB GLU 1 12.591 -0.587 -16.462 156 1HG GLU 1 1HG GLU 1 14.183 -1.576 -18.062 157 2HG GLU 1 2HG GLU 1 13.496 -0.594 -19.357 158 H VAL 2 H VAL 2 10.928 -3.580 -16.298 159 HA VAL 2 HA VAL 2 8.387 -2.318 -15.377 160 HB VAL 2 HB VAL 2 9.363 -5.172 -15.040 161 1HG1 VAL 2 1HG1 VAL 2 7.731 -4.224 -13.325 162 2HG1 VAL 2 2HG1 VAL 2 6.582 -4.043 -14.650 163 3HG1 VAL 2 3HG1 VAL 2 7.168 -5.645 -14.204 164 1HG2 VAL 2 1HG2 VAL 2 8.117 -3.771 -17.259 165 2HG2 VAL 2 2HG2 VAL 2 8.713 -5.429 -17.187 166 3HG2 VAL 2 3HG2 VAL 2 7.069 -5.061 -16.664 167 H ASN 3 H ASN 3 11.600 -3.039 -14.402 168 HA ASN 3 HA ASN 3 11.016 -3.115 -11.532 169 1HB ASN 3 1HB ASN 3 13.677 -2.712 -12.931 170 2HB ASN 3 2HB ASN 3 13.431 -3.193 -11.252 171 1HD2 ASN 3 2HD2 ASN 3 12.190 -5.334 -10.959 172 2HD2 ASN 3 1HD2 ASN 3 12.442 -6.551 -12.114 173 H GLN 4 H GLN 4 10.105 -1.181 -10.852 174 HA GLN 4 HA GLN 4 11.839 1.115 -10.596 175 1HB GLN 4 1HB GLN 4 11.177 1.377 -12.978 176 2HB GLN 4 2HB GLN 4 9.483 1.393 -12.488 177 1HG GLN 4 1HG GLN 4 10.268 3.691 -12.758 178 2HG GLN 4 2HG GLN 4 9.953 3.376 -11.050 179 1HE2 GLN 4 2HE2 GLN 4 11.552 5.218 -10.695 180 2HE2 GLN 4 1HE2 GLN 4 13.211 4.857 -10.717 181 H HIS 5 H HIS 5 10.986 2.599 -9.082 182 HA HIS 5 HA HIS 5 8.924 1.586 -7.343 183 1HB HIS 5 1HB HIS 5 9.722 4.479 -7.323 184 2HB HIS 5 2HB HIS 5 9.422 3.396 -5.965 185 HD1 HIS 5 HD1 HIS 5 11.318 1.549 -5.510 186 HD2 HIS 5 HD2 HIS 5 12.392 4.601 -8.135 187 HE1 HIS 5 HE1 HIS 5 13.840 1.476 -5.694 188 H LEU 6 H LEU 6 6.961 1.380 -8.474 189 HA LEU 6 HA LEU 6 5.861 3.268 -10.278 190 1HB LEU 6 1HB LEU 6 4.579 1.240 -8.441 191 2HB LEU 6 2HB LEU 6 3.629 2.242 -9.534 192 HG LEU 6 HG LEU 6 5.751 1.244 -11.071 193 1HD1 LEU 6 1HD1 LEU 6 5.710 -0.423 -8.982 194 2HD1 LEU 6 2HD1 LEU 6 4.385 -1.136 -9.900 195 3HD1 LEU 6 3HD1 LEU 6 5.989 -1.008 -10.623 196 1HD2 LEU 6 1HD2 LEU 6 3.363 1.717 -11.719 197 2HD2 LEU 6 2HD2 LEU 6 3.972 0.177 -12.324 198 3HD2 LEU 6 3HD2 LEU 6 2.906 0.212 -10.920 199 H CYS 7 H CYS 7 5.844 5.412 -9.652 200 HA CYS 7 HA CYS 7 4.225 6.056 -7.226 201 1HB CYS 7 1HB CYS 7 6.791 6.333 -6.974 202 2HB CYS 7 2HB CYS 7 6.605 7.713 -8.056 203 H GLY 8 H GLY 8 2.583 7.436 -7.705 204 1HA GLY 8 1HA GLY 8 1.841 9.560 -8.725 205 2HA GLY 8 2HA GLY 8 2.888 9.200 -10.098 206 H SER 9 H SER 9 1.740 8.586 -11.855 207 HA SER 9 HA SER 9 -0.961 7.441 -11.501 208 1HB SER 9 1HB SER 9 -0.253 7.498 -14.242 209 2HB SER 9 2HB SER 9 -1.322 8.608 -13.390 210 HG SER 9 HG SER 9 0.464 9.662 -14.401 211 H GLU 10 H GLU 10 2.237 6.497 -12.678 212 HA GLU 10 HA GLU 10 1.669 4.075 -13.950 213 1HB GLU 10 1HB GLU 10 3.908 3.305 -12.945 214 2HB GLU 10 2HB GLU 10 3.941 4.787 -13.902 215 1HG GLU 10 1HG GLU 10 3.288 5.435 -11.175 216 2HG GLU 10 2HG GLU 10 4.757 4.459 -11.207 217 H LEU 11 H LEU 11 1.383 4.878 -10.571 218 HA LEU 11 HA LEU 11 1.316 2.136 -9.611 219 1HB LEU 11 1HB LEU 11 1.830 4.213 -8.221 220 2HB LEU 11 2HB LEU 11 0.102 4.559 -8.262 221 HG LEU 11 HG LEU 11 0.866 3.274 -6.221 222 1HD1 LEU 11 1HD1 LEU 11 -1.444 3.073 -7.685 223 2HD1 LEU 11 2HD1 LEU 11 -0.945 1.384 -7.584 224 3HD1 LEU 11 3HD1 LEU 11 -1.194 2.319 -6.110 225 1HD2 LEU 11 1HD2 LEU 11 2.515 1.879 -7.582 226 2HD2 LEU 11 2HD2 LEU 11 1.515 0.976 -6.445 227 3HD2 LEU 11 3HD2 LEU 11 1.124 0.964 -8.164 228 H VAL 12 H VAL 12 -1.171 4.574 -10.395 229 HA VAL 12 HA VAL 12 -3.404 2.905 -9.714 230 HB VAL 12 HB VAL 12 -3.296 5.478 -10.190 231 1HG1 VAL 12 1HG1 VAL 12 -2.563 4.749 -12.668 232 2HG1 VAL 12 2HG1 VAL 12 -4.312 4.757 -12.897 233 3HG1 VAL 12 3HG1 VAL 12 -3.487 6.220 -12.358 234 1HG2 VAL 12 1HG2 VAL 12 -5.317 3.952 -9.661 235 2HG2 VAL 12 2HG2 VAL 12 -5.649 5.499 -10.440 236 3HG2 VAL 12 3HG2 VAL 12 -5.647 4.014 -11.392 237 H GLU 13 H GLU 13 -1.453 3.234 -12.629 238 HA GLU 13 HA GLU 13 -3.164 1.868 -14.448 239 1HB GLU 13 1HB GLU 13 -0.808 3.081 -14.757 240 2HB GLU 13 2HB GLU 13 -0.209 1.430 -14.599 241 1HG GLU 13 1HG GLU 13 -2.494 1.426 -16.340 242 2HG GLU 13 2HG GLU 13 -1.350 2.646 -16.899 243 H ALA 14 H ALA 14 -1.040 0.683 -11.911 244 HA ALA 14 HA ALA 14 -1.458 -2.118 -12.789 245 1HB ALA 14 1HB ALA 14 0.544 -0.733 -11.253 246 2HB ALA 14 2HB ALA 14 -0.152 -2.023 -10.270 247 3HB ALA 14 3HB ALA 14 0.564 -2.397 -11.838 248 H LEU 15 H LEU 15 -2.623 0.201 -10.483 249 HA LEU 15 HA LEU 15 -3.747 -1.612 -8.565 250 1HB LEU 15 1HB LEU 15 -4.026 1.247 -9.263 251 2HB LEU 15 2HB LEU 15 -5.424 0.529 -8.475 252 HG LEU 15 HG LEU 15 -2.623 0.181 -7.405 253 1HD1 LEU 15 1HD1 LEU 15 -3.263 2.604 -7.549 254 2HD1 LEU 15 2HD1 LEU 15 -4.672 2.244 -6.550 255 3HD1 LEU 15 3HD1 LEU 15 -3.048 2.031 -5.894 256 1HD2 LEU 15 1HD2 LEU 15 -4.793 -1.234 -6.790 257 2HD2 LEU 15 2HD2 LEU 15 -3.655 -0.736 -5.538 258 3HD2 LEU 15 3HD2 LEU 15 -5.146 0.173 -5.789 259 H GLU 16 H GLU 16 -4.582 -0.863 -11.795 260 HA GLU 16 HA GLU 16 -7.404 -1.684 -11.466 261 1HB GLU 16 1HB GLU 16 -7.694 -1.076 -13.756 262 2HB GLU 16 2HB GLU 16 -6.624 0.149 -13.078 263 1HG GLU 16 1HG GLU 16 -4.676 -1.276 -13.904 264 2HG GLU 16 2HG GLU 16 -5.867 -2.214 -14.807 265 H LEU 17 H LEU 17 -4.335 -3.051 -12.239 266 HA LEU 17 HA LEU 17 -5.472 -5.387 -13.628 267 1HB LEU 17 1HB LEU 17 -2.832 -4.232 -13.226 268 2HB LEU 17 2HB LEU 17 -2.831 -5.965 -12.901 269 HG LEU 17 HG LEU 17 -2.400 -5.306 -15.326 270 1HD1 LEU 17 1HD1 LEU 17 -4.634 -7.143 -14.468 271 2HD1 LEU 17 2HD1 LEU 17 -4.151 -7.020 -16.160 272 3HD1 LEU 17 3HD1 LEU 17 -2.990 -7.563 -14.948 273 1HD2 LEU 17 1HD2 LEU 17 -4.522 -3.633 -14.974 274 2HD2 LEU 17 2HD2 LEU 17 -3.991 -4.213 -16.553 275 3HD2 LEU 17 3HD2 LEU 17 -5.324 -5.015 -15.721 276 H VAL 18 H VAL 18 -5.149 -4.411 -10.425 277 HA VAL 18 HA VAL 18 -4.675 -7.138 -9.399 278 HB VAL 18 HB VAL 18 -5.442 -5.458 -7.259 279 1HG1 VAL 18 1HG1 VAL 18 -2.763 -6.413 -8.298 280 2HG1 VAL 18 2HG1 VAL 18 -2.989 -5.672 -6.712 281 3HG1 VAL 18 3HG1 VAL 18 -3.780 -7.202 -7.090 282 1HG2 VAL 18 1HG2 VAL 18 -5.096 -3.524 -8.775 283 2HG2 VAL 18 2HG2 VAL 18 -3.892 -3.564 -7.489 284 3HG2 VAL 18 3HG2 VAL 18 -3.464 -4.095 -9.115 285 H CYS 19 H CYS 19 -7.105 -4.803 -8.228 286 HA CYS 19 HA CYS 19 -9.006 -6.956 -7.822 287 1HB CYS 19 1HB CYS 19 -8.808 -4.717 -6.533 288 2HB CYS 19 2HB CYS 19 -9.722 -4.031 -7.876 289 H GLY 20 H GLY 20 -9.245 -4.022 -9.853 290 1HA GLY 20 1HA GLY 20 -10.325 -3.674 -11.903 291 2HA GLY 20 2HA GLY 20 -9.855 -5.329 -12.281 292 H GLU 21 H GLU 21 -11.335 -7.040 -11.763 293 HA GLU 21 HA GLU 21 -13.889 -6.964 -12.541 294 1HB GLU 21 1HB GLU 21 -14.458 -8.753 -10.892 295 2HB GLU 21 2HB GLU 21 -12.923 -9.026 -11.716 296 1HG GLU 21 1HG GLU 21 -11.659 -8.394 -9.826 297 2HG GLU 21 2HG GLU 21 -13.031 -7.585 -9.069 298 H ARG 22 H ARG 22 -12.914 -5.746 -9.339 299 HA ARG 22 HA ARG 22 -15.748 -4.906 -8.918 300 1HB ARG 22 1HB ARG 22 -13.450 -5.003 -6.940 301 2HB ARG 22 2HB ARG 22 -15.121 -4.585 -6.562 302 1HG ARG 22 1HG ARG 22 -15.892 -6.775 -6.991 303 2HG ARG 22 2HG ARG 22 -14.432 -7.209 -7.882 304 1HD ARG 22 1HD ARG 22 -13.124 -7.306 -5.896 305 2HD ARG 22 2HD ARG 22 -14.362 -6.479 -4.950 306 HE ARG 22 HE ARG 22 -15.629 -8.780 -5.832 307 1HH1 ARG 22 1HH1 ARG 22 -12.701 -8.015 -4.167 308 2HH1 ARG 22 2HH1 ARG 22 -12.677 -9.493 -3.266 309 1HH2 ARG 22 1HH2 ARG 22 -15.606 -10.711 -4.661 310 2HH2 ARG 22 2HH2 ARG 22 -14.318 -11.018 -3.545 311 H GLY 23 H GLY 23 -12.443 -3.612 -8.407 312 1HA GLY 23 1HA GLY 23 -12.006 -1.421 -9.620 313 2HA GLY 23 2HA GLY 23 -13.574 -0.907 -9.000 314 H PHE 24 H PHE 24 -10.314 -0.732 -8.429 315 HA PHE 24 HA PHE 24 -10.466 -0.713 -5.488 316 1HB PHE 24 1HB PHE 24 -8.076 -0.233 -5.581 317 2HB PHE 24 2HB PHE 24 -8.447 -1.559 -6.690 318 HD1 PHE 24 HD1 PHE 24 -8.580 -1.164 -9.117 319 HD2 PHE 24 HD2 PHE 24 -7.384 1.929 -6.397 320 HE1 PHE 24 HE1 PHE 24 -7.673 0.154 -11.020 321 HE2 PHE 24 HE2 PHE 24 -6.478 3.254 -8.294 322 HZ PHE 24 HZ PHE 24 -6.625 2.365 -10.605 323 H PHE 25 H PHE 25 -9.017 1.383 -4.667 324 HA PHE 25 HA PHE 25 -10.208 3.814 -5.915 325 1HB PHE 25 1HB PHE 25 -11.689 3.359 -4.078 326 2HB PHE 25 2HB PHE 25 -10.339 3.015 -2.996 327 HD1 PHE 25 HD1 PHE 25 -11.405 5.774 -5.316 328 HD2 PHE 25 HD2 PHE 25 -9.793 4.691 -1.485 329 HE1 PHE 25 HE1 PHE 25 -11.301 8.169 -4.684 330 HE2 PHE 25 HE2 PHE 25 -9.690 7.087 -0.852 331 HZ PHE 25 HZ PHE 25 -10.443 8.826 -2.451 332 H TYR 26 H TYR 26 -8.705 5.426 -6.116 333 HA TYR 26 HA TYR 26 -6.488 5.674 -4.218 334 1HB TYR 26 1HB TYR 26 -5.620 3.919 -5.705 335 2HB TYR 26 2HB TYR 26 -5.958 4.927 -7.112 336 HD1 TYR 26 HD1 TYR 26 -4.776 6.365 -3.934 337 HD2 TYR 26 HD2 TYR 26 -3.626 5.005 -7.843 338 HE1 TYR 26 HE1 TYR 26 -2.573 7.473 -3.672 339 HE2 TYR 26 HE2 TYR 26 -1.423 6.112 -7.581 340 HH TYR 26 HH TYR 26 -0.192 7.474 -6.317 341 H GLU 27 H GLU 27 -6.752 7.848 -3.891 342 HA GLU 27 HA GLU 27 -7.764 9.703 -5.789 343 1HB GLU 27 1HB GLU 27 -5.917 10.190 -3.434 344 2HB GLU 27 2HB GLU 27 -6.822 11.440 -4.289 345 1HG GLU 27 1HG GLU 27 -8.823 10.819 -3.362 346 2HG GLU 27 2HG GLU 27 -8.395 9.109 -3.331 347 HA PRO 28 HA PRO 28 -4.073 9.670 -8.379 348 1HB PRO 28 1HB PRO 28 -5.314 11.347 -10.272 349 2HB PRO 28 2HB PRO 28 -5.243 9.579 -10.330 350 1HG PRO 28 1HG PRO 28 -7.525 11.301 -9.731 351 2HG PRO 28 2HG PRO 28 -7.505 9.563 -10.063 352 1HD PRO 28 1HD PRO 28 -7.875 10.827 -7.534 353 2HD PRO 28 2HD PRO 28 -7.702 9.092 -7.848 354 H LYS 29 H LYS 29 -2.456 11.067 -7.758 355 HA LYS 29 HA LYS 29 -2.955 13.970 -8.021 356 1HB LYS 29 1HB LYS 29 -1.897 14.378 -5.771 357 2HB LYS 29 2HB LYS 29 -3.477 13.597 -5.683 358 1HG LYS 29 1HG LYS 29 -2.577 11.842 -4.606 359 2HG LYS 29 2HG LYS 29 -1.461 11.571 -5.945 360 1HD LYS 29 1HD LYS 29 0.011 11.982 -4.176 361 2HD LYS 29 2HD LYS 29 -0.143 13.585 -4.900 362 1HE LYS 29 1HE LYS 29 -2.291 13.320 -3.069 363 2HE LYS 29 2HE LYS 29 -0.847 12.741 -2.237 364 1HZ LYS 29 1HZ LYS 29 -0.381 15.116 -3.773 365 2HZ LYS 29 2HZ LYS 29 -1.553 15.342 -2.567 366 3HZ LYS 29 3HZ LYS 29 -0.004 14.782 -2.150 Start of MODEL 6 1 1H GLY 1 1H GLY 1 0.095 -0.777 2.078 2 2H GLY 1 2H GLY 1 0.863 0.284 3.160 3 3H GLY 1 3H GLY 1 -0.514 -0.576 3.651 4 1HA GLY 1 1HA GLY 1 -1.907 0.915 2.799 5 2HA GLY 1 2HA GLY 1 -0.491 1.961 2.672 6 H ILE 2 H ILE 2 0.644 2.042 0.632 7 HA ILE 2 HA ILE 2 0.005 0.555 -1.681 8 HB ILE 2 HB ILE 2 -2.243 1.385 -1.597 9 1HG1 ILE 2 1HG1 ILE 2 -0.749 3.212 -3.501 10 2HG1 ILE 2 2HG1 ILE 2 -1.028 1.499 -3.815 11 1HG2 ILE 2 1HG2 ILE 2 -1.095 3.543 -0.252 12 2HG2 ILE 2 2HG2 ILE 2 -1.686 4.244 -1.758 13 3HG2 ILE 2 3HG2 ILE 2 -2.795 3.379 -0.694 14 1HD1 ILE 2 1HD1 ILE 2 -3.362 3.224 -3.066 15 2HD1 ILE 2 2HD1 ILE 2 -2.733 3.314 -4.711 16 3HD1 ILE 2 3HD1 ILE 2 -3.319 1.777 -4.074 17 H VAL 3 H VAL 3 0.818 3.747 -0.385 18 HA VAL 3 HA VAL 3 2.455 4.360 -2.767 19 HB VAL 3 HB VAL 3 1.840 5.884 -0.224 20 1HG1 VAL 3 1HG1 VAL 3 4.068 6.163 -2.068 21 2HG1 VAL 3 2HG1 VAL 3 3.056 7.606 -2.073 22 3HG1 VAL 3 3HG1 VAL 3 3.756 7.025 -0.562 23 1HG2 VAL 3 1HG2 VAL 3 0.999 6.026 -3.111 24 2HG2 VAL 3 2HG2 VAL 3 -0.004 6.077 -1.662 25 3HG2 VAL 3 3HG2 VAL 3 0.964 7.479 -2.114 26 H GLU 4 H GLU 4 2.877 3.416 0.614 27 HA GLU 4 HA GLU 4 5.791 3.718 0.454 28 1HB GLU 4 1HB GLU 4 4.065 2.357 2.540 29 2HB GLU 4 2HB GLU 4 5.779 2.733 2.712 30 1HG GLU 4 1HG GLU 4 5.288 4.827 3.372 31 2HG GLU 4 2HG GLU 4 4.377 5.104 1.887 32 H GLN 5 H GLN 5 3.552 1.440 -0.618 33 HA GLN 5 HA GLN 5 5.544 -0.769 -0.427 34 1HB GLN 5 1HB GLN 5 2.912 -0.843 0.224 35 2HB GLN 5 2HB GLN 5 2.827 -1.333 -1.467 36 1HG GLN 5 1HG GLN 5 3.128 -3.362 -0.269 37 2HG GLN 5 2HG GLN 5 4.725 -2.978 -0.911 38 1HE2 GLN 5 2HE2 GLN 5 3.767 -4.416 1.680 39 2HE2 GLN 5 1HE2 GLN 5 4.658 -3.652 2.904 40 H CYS 6 H CYS 6 4.091 1.447 -2.654 41 HA CYS 6 HA CYS 6 5.191 -0.193 -4.905 42 1HB CYS 6 1HB CYS 6 2.672 1.336 -4.623 43 2HB CYS 6 2HB CYS 6 3.512 1.539 -6.162 44 H CYS 7 H CYS 7 4.936 3.032 -3.491 45 HA CYS 7 HA CYS 7 6.641 4.180 -5.609 46 1HB CYS 7 1HB CYS 7 5.586 5.426 -3.051 47 2HB CYS 7 2HB CYS 7 6.401 6.286 -4.354 48 H HIS 8 H HIS 8 6.847 3.431 -2.129 49 HA HIS 8 HA HIS 8 9.534 4.379 -1.797 50 1HB HIS 8 1HB HIS 8 7.814 2.414 -0.290 51 2HB HIS 8 2HB HIS 8 9.489 2.704 0.176 52 HD1 HIS 8 HD1 HIS 8 8.291 3.719 2.412 53 HD2 HIS 8 HD2 HIS 8 7.831 5.920 -1.099 54 HE1 HIS 8 HE1 HIS 8 7.576 6.045 3.114 55 H SER 9 H SER 9 8.336 1.745 -3.555 56 HA SER 9 HA SER 9 11.039 0.790 -4.092 57 1HB SER 9 1HB SER 9 10.915 -1.358 -3.153 58 2HB SER 9 2HB SER 9 10.188 -0.353 -1.902 59 HG SER 9 HG SER 9 8.625 -1.768 -2.150 60 H ILE 10 H ILE 10 10.906 -1.130 -5.677 61 HA ILE 10 HA ILE 10 8.857 -0.470 -7.676 62 HB ILE 10 HB ILE 10 11.114 -2.497 -7.743 63 1HG1 ILE 10 1HG1 ILE 10 11.768 -0.517 -9.501 64 2HG1 ILE 10 2HG1 ILE 10 10.923 0.417 -8.264 65 1HG2 ILE 10 1HG2 ILE 10 8.860 -2.039 -9.475 66 2HG2 ILE 10 2HG2 ILE 10 10.349 -1.614 -10.320 67 3HG2 ILE 10 3HG2 ILE 10 10.151 -3.229 -9.638 68 1HD1 ILE 10 1HD1 ILE 10 12.624 -1.466 -6.946 69 2HD1 ILE 10 2HD1 ILE 10 13.579 -0.626 -8.167 70 3HD1 ILE 10 3HD1 ILE 10 12.727 0.295 -6.929 71 H CYS 11 H CYS 11 6.982 -1.276 -6.487 72 HA CYS 11 HA CYS 11 6.774 -4.005 -5.614 73 1HB CYS 11 1HB CYS 11 4.311 -3.571 -5.638 74 2HB CYS 11 2HB CYS 11 5.219 -2.325 -4.786 75 H SER 12 H SER 12 4.685 -5.224 -6.757 76 HA SER 12 HA SER 12 5.361 -5.356 -9.669 77 1HB SER 12 1HB SER 12 4.732 -7.853 -9.374 78 2HB SER 12 2HB SER 12 6.304 -7.330 -8.775 79 HG SER 12 HG SER 12 4.729 -8.614 -7.365 80 H LEU 13 H LEU 13 2.906 -6.783 -7.488 81 HA LEU 13 HA LEU 13 0.724 -5.239 -8.489 82 1HB LEU 13 1HB LEU 13 1.576 -7.467 -10.163 83 2HB LEU 13 2HB LEU 13 -0.092 -7.660 -9.622 84 HG LEU 13 HG LEU 13 0.872 -5.017 -10.696 85 1HD1 LEU 13 1HD1 LEU 13 0.585 -7.516 -12.165 86 2HD1 LEU 13 2HD1 LEU 13 -0.532 -6.286 -12.754 87 3HD1 LEU 13 3HD1 LEU 13 1.200 -5.959 -12.721 88 1HD2 LEU 13 1HD2 LEU 13 -1.478 -5.836 -9.527 89 2HD2 LEU 13 2HD2 LEU 13 -1.335 -4.461 -10.622 90 3HD2 LEU 13 3HD2 LEU 13 -1.843 -6.033 -11.241 91 H TYR 14 H TYR 14 1.830 -8.322 -7.159 92 HA TYR 14 HA TYR 14 -0.579 -9.234 -6.003 93 1HB TYR 14 1HB TYR 14 2.315 -9.593 -5.440 94 2HB TYR 14 2HB TYR 14 1.220 -9.956 -4.105 95 HD1 TYR 14 HD1 TYR 14 0.189 -10.274 -7.625 96 HD2 TYR 14 HD2 TYR 14 1.629 -12.365 -4.160 97 HE1 TYR 14 HE1 TYR 14 -0.395 -12.438 -8.687 98 HE2 TYR 14 HE2 TYR 14 1.045 -14.527 -5.222 99 HH TYR 14 HH TYR 14 0.330 -14.829 -8.501 100 H GLN 15 H GLN 15 1.583 -6.648 -5.006 101 HA GLN 15 HA GLN 15 0.390 -6.324 -2.377 102 1HB GLN 15 1HB GLN 15 1.841 -4.143 -3.869 103 2HB GLN 15 2HB GLN 15 1.812 -4.460 -2.134 104 1HG GLN 15 1HG GLN 15 2.947 -6.712 -2.733 105 2HG GLN 15 2HG GLN 15 3.296 -5.960 -4.289 106 1HE2 GLN 15 2HE2 GLN 15 4.637 -6.448 -1.277 107 2HE2 GLN 15 1HE2 GLN 15 5.685 -5.113 -1.220 108 H LEU 16 H LEU 16 -0.188 -5.019 -5.594 109 HA LEU 16 HA LEU 16 -1.976 -2.913 -4.727 110 1HB LEU 16 1HB LEU 16 -1.746 -4.298 -7.418 111 2HB LEU 16 2HB LEU 16 -2.609 -2.790 -7.112 112 HG LEU 16 HG LEU 16 0.324 -3.131 -6.460 113 1HD1 LEU 16 1HD1 LEU 16 -0.943 -2.943 -9.052 114 2HD1 LEU 16 2HD1 LEU 16 0.012 -1.494 -8.740 115 3HD1 LEU 16 3HD1 LEU 16 0.772 -3.083 -8.667 116 1HD2 LEU 16 1HD2 LEU 16 -1.701 -0.965 -6.388 117 2HD2 LEU 16 2HD2 LEU 16 -0.254 -1.186 -5.405 118 3HD2 LEU 16 3HD2 LEU 16 -0.122 -0.508 -7.027 119 H GLU 17 H GLU 17 -2.284 -6.274 -4.789 120 HA GLU 17 HA GLU 17 -5.129 -6.361 -5.460 121 1HB GLU 17 1HB GLU 17 -3.154 -8.243 -5.461 122 2HB GLU 17 2HB GLU 17 -3.966 -8.613 -3.939 123 1HG GLU 17 1HG GLU 17 -6.016 -9.058 -4.992 124 2HG GLU 17 2HG GLU 17 -5.574 -8.157 -6.442 125 H ASN 18 H ASN 18 -3.221 -5.865 -2.596 126 HA ASN 18 HA ASN 18 -5.359 -6.577 -0.737 127 1HB ASN 18 1HB ASN 18 -3.291 -4.684 0.209 128 2HB ASN 18 2HB ASN 18 -3.831 -6.205 0.916 129 1HD2 ASN 18 2HD2 ASN 18 -1.018 -5.127 0.246 130 2HD2 ASN 18 1HD2 ASN 18 -0.308 -6.380 -0.652 131 H TYR 19 H TYR 19 -4.583 -3.857 -2.682 132 HA TYR 19 HA TYR 19 -6.177 -1.997 -1.022 133 1HB TYR 19 1HB TYR 19 -5.063 -1.390 -3.756 134 2HB TYR 19 2HB TYR 19 -5.362 -0.280 -2.418 135 HD1 TYR 19 HD1 TYR 19 -4.176 -2.190 -0.266 136 HD2 TYR 19 HD2 TYR 19 -2.728 -0.773 -4.054 137 HE1 TYR 19 HE1 TYR 19 -1.840 -2.503 0.508 138 HE2 TYR 19 HE2 TYR 19 -0.394 -1.086 -3.280 139 HH TYR 19 HH TYR 19 0.387 -2.840 -0.460 140 H CYS 20 H CYS 20 -7.486 -4.325 -2.192 141 HA CYS 20 HA CYS 20 -9.036 -3.260 -4.465 142 1HB CYS 20 1HB CYS 20 -8.386 -5.634 -4.476 143 2HB CYS 20 2HB CYS 20 -9.258 -5.886 -2.963 144 H ASN 21 H ASN 21 -10.362 -1.634 -3.686 145 HA ASN 21 HA ASN 21 -11.751 -1.707 -1.184 146 1HB ASN 21 1HB ASN 21 -11.527 0.426 -2.199 147 2HB ASN 21 2HB ASN 21 -12.140 -0.154 -3.745 148 1HD2 ASN 21 2HD2 ASN 21 -14.226 0.524 -4.132 149 2HD2 ASN 21 1HD2 ASN 21 -15.416 0.780 -2.947 150 1H GLU 1 1H GLU 1 13.364 -5.108 -8.746 151 2H GLU 1 2H GLU 1 13.877 -5.048 -7.131 152 3H GLU 1 3H GLU 1 12.654 -4.000 -7.671 153 HA GLU 1 HA GLU 1 14.127 -2.481 -8.265 154 1HB GLU 1 1HB GLU 1 15.394 -4.026 -6.395 155 2HB GLU 1 2HB GLU 1 16.538 -4.110 -7.735 156 1HG GLU 1 1HG GLU 1 15.438 -1.590 -6.453 157 2HG GLU 1 2HG GLU 1 17.095 -2.187 -6.349 158 H VAL 2 H VAL 2 13.283 -3.503 -10.508 159 HA VAL 2 HA VAL 2 15.749 -3.918 -12.134 160 HB VAL 2 HB VAL 2 14.512 -6.092 -11.740 161 1HG1 VAL 2 1HG1 VAL 2 12.237 -5.063 -11.747 162 2HG1 VAL 2 2HG1 VAL 2 12.415 -4.754 -13.474 163 3HG1 VAL 2 3HG1 VAL 2 12.377 -6.412 -12.875 164 1HG2 VAL 2 1HG2 VAL 2 15.185 -4.866 -14.349 165 2HG2 VAL 2 2HG2 VAL 2 15.738 -6.383 -13.644 166 3HG2 VAL 2 3HG2 VAL 2 14.167 -6.302 -14.440 167 H ASN 3 H ASN 3 13.188 -1.958 -11.545 168 HA ASN 3 HA ASN 3 13.360 -0.784 -14.246 169 1HB ASN 3 1HB ASN 3 10.719 -0.587 -14.083 170 2HB ASN 3 2HB ASN 3 11.473 -2.019 -14.784 171 1HD2 ASN 3 2HD2 ASN 3 9.095 -1.154 -12.640 172 2HD2 ASN 3 1HD2 ASN 3 9.108 -2.526 -11.640 173 H GLN 4 H GLN 4 10.665 -0.068 -12.146 174 HA GLN 4 HA GLN 4 12.026 2.040 -10.666 175 1HB GLN 4 1HB GLN 4 11.736 2.969 -13.029 176 2HB GLN 4 2HB GLN 4 9.997 2.919 -12.734 177 1HG GLN 4 1HG GLN 4 11.253 4.139 -10.470 178 2HG GLN 4 2HG GLN 4 11.854 4.928 -11.929 179 1HE2 GLN 4 2HE2 GLN 4 9.763 5.784 -9.798 180 2HE2 GLN 4 1HE2 GLN 4 8.421 6.251 -10.725 181 H HIS 5 H HIS 5 10.567 3.038 -9.117 182 HA HIS 5 HA HIS 5 8.474 1.267 -8.216 183 1HB HIS 5 1HB HIS 5 8.430 4.079 -7.255 184 2HB HIS 5 2HB HIS 5 8.385 2.577 -6.335 185 HD1 HIS 5 HD1 HIS 5 10.854 1.202 -6.537 186 HD2 HIS 5 HD2 HIS 5 10.853 5.345 -6.986 187 HE1 HIS 5 HE1 HIS 5 13.235 1.966 -6.136 188 H LEU 6 H LEU 6 6.177 1.702 -8.174 189 HA LEU 6 HA LEU 6 5.310 3.301 -10.517 190 1HB LEU 6 1HB LEU 6 3.920 1.226 -8.810 191 2HB LEU 6 2HB LEU 6 3.081 2.169 -10.039 192 HG LEU 6 HG LEU 6 5.103 1.364 -11.548 193 1HD1 LEU 6 1HD1 LEU 6 5.807 0.097 -9.248 194 2HD1 LEU 6 2HD1 LEU 6 4.837 -1.158 -10.017 195 3HD1 LEU 6 3HD1 LEU 6 6.241 -0.492 -10.852 196 1HD2 LEU 6 1HD2 LEU 6 2.422 0.605 -11.161 197 2HD2 LEU 6 2HD2 LEU 6 3.420 0.264 -12.575 198 3HD2 LEU 6 3HD2 LEU 6 3.322 -0.909 -11.261 199 H CYS 7 H CYS 7 5.024 5.424 -9.946 200 HA CYS 7 HA CYS 7 3.150 5.963 -7.697 201 1HB CYS 7 1HB CYS 7 5.849 6.408 -7.427 202 2HB CYS 7 2HB CYS 7 5.282 7.973 -8.012 203 H GLY 8 H GLY 8 2.090 8.090 -7.917 204 1HA GLY 8 1HA GLY 8 1.359 9.981 -9.174 205 2HA GLY 8 2HA GLY 8 2.422 9.484 -10.492 206 H SER 9 H SER 9 1.528 8.355 -12.183 207 HA SER 9 HA SER 9 -1.317 7.489 -11.847 208 1HB SER 9 1HB SER 9 0.116 8.917 -14.018 209 2HB SER 9 2HB SER 9 -1.027 7.681 -14.537 210 HG SER 9 HG SER 9 -1.592 10.104 -13.808 211 H GLU 10 H GLU 10 1.897 6.515 -12.684 212 HA GLU 10 HA GLU 10 1.268 4.196 -14.257 213 1HB GLU 10 1HB GLU 10 3.536 3.409 -13.577 214 2HB GLU 10 2HB GLU 10 3.551 5.071 -14.163 215 1HG GLU 10 1HG GLU 10 3.192 5.679 -11.635 216 2HG GLU 10 2HG GLU 10 3.829 4.059 -11.351 217 H LEU 11 H LEU 11 0.761 4.912 -10.964 218 HA LEU 11 HA LEU 11 0.790 2.068 -10.143 219 1HB LEU 11 1HB LEU 11 1.673 3.804 -8.597 220 2HB LEU 11 2HB LEU 11 0.075 4.552 -8.553 221 HG LEU 11 HG LEU 11 -0.779 2.217 -7.838 222 1HD1 LEU 11 1HD1 LEU 11 2.203 1.929 -7.645 223 2HD1 LEU 11 2HD1 LEU 11 1.182 1.107 -6.465 224 3HD1 LEU 11 3HD1 LEU 11 1.003 0.756 -8.184 225 1HD2 LEU 11 1HD2 LEU 11 0.059 4.451 -6.427 226 2HD2 LEU 11 2HD2 LEU 11 -0.845 3.098 -5.749 227 3HD2 LEU 11 3HD2 LEU 11 0.914 3.135 -5.623 228 H VAL 12 H VAL 12 -1.500 4.743 -10.626 229 HA VAL 12 HA VAL 12 -3.817 3.288 -9.748 230 HB VAL 12 HB VAL 12 -3.591 5.822 -10.121 231 1HG1 VAL 12 1HG1 VAL 12 -2.898 5.135 -12.648 232 2HG1 VAL 12 2HG1 VAL 12 -4.625 5.400 -12.871 233 3HG1 VAL 12 3HG1 VAL 12 -3.608 6.693 -12.236 234 1HG2 VAL 12 1HG2 VAL 12 -5.975 4.352 -11.290 235 2HG2 VAL 12 2HG2 VAL 12 -5.726 4.706 -9.580 236 3HG2 VAL 12 3HG2 VAL 12 -5.981 6.023 -10.725 237 H GLU 13 H GLU 13 -2.089 3.466 -12.807 238 HA GLU 13 HA GLU 13 -4.134 2.224 -14.415 239 1HB GLU 13 1HB GLU 13 -1.749 3.408 -14.979 240 2HB GLU 13 2HB GLU 13 -1.299 1.708 -15.119 241 1HG GLU 13 1HG GLU 13 -3.843 2.615 -16.410 242 2HG GLU 13 2HG GLU 13 -2.315 3.016 -17.195 243 H ALA 14 H ALA 14 -1.646 1.025 -12.263 244 HA ALA 14 HA ALA 14 -2.161 -1.774 -13.086 245 1HB ALA 14 1HB ALA 14 0.017 -0.355 -11.803 246 2HB ALA 14 2HB ALA 14 -0.483 -1.731 -10.821 247 3HB ALA 14 3HB ALA 14 0.007 -1.976 -12.497 248 H LEU 15 H LEU 15 -3.249 0.535 -10.827 249 HA LEU 15 HA LEU 15 -4.013 -1.373 -8.741 250 1HB LEU 15 1HB LEU 15 -4.165 1.549 -9.172 251 2HB LEU 15 2HB LEU 15 -5.502 0.866 -8.249 252 HG LEU 15 HG LEU 15 -2.586 0.332 -7.629 253 1HD1 LEU 15 1HD1 LEU 15 -3.834 2.753 -7.318 254 2HD1 LEU 15 2HD1 LEU 15 -4.178 1.977 -5.772 255 3HD1 LEU 15 3HD1 LEU 15 -2.509 2.176 -6.307 256 1HD2 LEU 15 1HD2 LEU 15 -5.200 -0.565 -6.566 257 2HD2 LEU 15 2HD2 LEU 15 -3.624 -1.352 -6.485 258 3HD2 LEU 15 3HD2 LEU 15 -4.029 -0.069 -5.344 259 H GLU 16 H GLU 16 -5.390 -0.094 -11.665 260 HA GLU 16 HA GLU 16 -8.132 -0.881 -10.938 261 1HB GLU 16 1HB GLU 16 -8.719 -0.092 -13.184 262 2HB GLU 16 2HB GLU 16 -7.708 1.106 -12.374 263 1HG GLU 16 1HG GLU 16 -6.107 0.921 -13.947 264 2HG GLU 16 2HG GLU 16 -6.074 -0.834 -13.781 265 H LEU 17 H LEU 17 -5.411 -2.524 -11.934 266 HA LEU 17 HA LEU 17 -6.840 -4.416 -13.702 267 1HB LEU 17 1HB LEU 17 -4.015 -4.722 -12.683 268 2HB LEU 17 2HB LEU 17 -4.720 -5.358 -14.169 269 HG LEU 17 HG LEU 17 -4.353 -2.408 -13.583 270 1HD1 LEU 17 1HD1 LEU 17 -2.734 -4.279 -15.341 271 2HD1 LEU 17 2HD1 LEU 17 -2.510 -2.533 -15.227 272 3HD1 LEU 17 3HD1 LEU 17 -2.184 -3.557 -13.830 273 1HD2 LEU 17 1HD2 LEU 17 -6.061 -3.663 -15.352 274 2HD2 LEU 17 2HD2 LEU 17 -5.441 -2.022 -15.540 275 3HD2 LEU 17 3HD2 LEU 17 -4.637 -3.367 -16.351 276 H VAL 18 H VAL 18 -5.241 -4.408 -10.517 277 HA VAL 18 HA VAL 18 -5.812 -7.166 -9.953 278 HB VAL 18 HB VAL 18 -5.654 -6.067 -7.480 279 1HG1 VAL 18 1HG1 VAL 18 -3.353 -6.623 -9.363 280 2HG1 VAL 18 2HG1 VAL 18 -3.231 -6.560 -7.604 281 3HG1 VAL 18 3HG1 VAL 18 -4.198 -7.818 -8.378 282 1HG2 VAL 18 1HG2 VAL 18 -5.490 -3.778 -8.652 283 2HG2 VAL 18 2HG2 VAL 18 -4.287 -4.143 -7.416 284 3HG2 VAL 18 3HG2 VAL 18 -3.869 -4.284 -9.122 285 H CYS 19 H CYS 19 -7.135 -4.533 -7.977 286 HA CYS 19 HA CYS 19 -9.505 -5.963 -7.311 287 1HB CYS 19 1HB CYS 19 -8.522 -3.922 -6.131 288 2HB CYS 19 2HB CYS 19 -9.259 -2.948 -7.402 289 H GLY 20 H GLY 20 -9.397 -3.004 -9.312 290 1HA GLY 20 1HA GLY 20 -10.801 -2.322 -11.068 291 2HA GLY 20 2HA GLY 20 -10.550 -3.960 -11.661 292 H GLU 21 H GLU 21 -12.100 -5.585 -11.102 293 HA GLU 21 HA GLU 21 -14.732 -5.200 -11.436 294 1HB GLU 21 1HB GLU 21 -13.260 -7.115 -9.692 295 2HB GLU 21 2HB GLU 21 -15.014 -7.048 -9.519 296 1HG GLU 21 1HG GLU 21 -14.710 -7.035 -12.255 297 2HG GLU 21 2HG GLU 21 -13.391 -8.090 -11.741 298 H ARG 22 H ARG 22 -13.285 -4.918 -8.158 299 HA ARG 22 HA ARG 22 -15.822 -3.686 -7.235 300 1HB ARG 22 1HB ARG 22 -13.332 -4.522 -5.720 301 2HB ARG 22 2HB ARG 22 -14.774 -3.833 -4.976 302 1HG ARG 22 1HG ARG 22 -16.125 -5.697 -5.869 303 2HG ARG 22 2HG ARG 22 -14.679 -6.394 -6.598 304 1HD ARG 22 1HD ARG 22 -13.681 -6.790 -4.454 305 2HD ARG 22 2HD ARG 22 -14.910 -5.824 -3.635 306 HE ARG 22 HE ARG 22 -16.366 -7.822 -4.878 307 1HH1 ARG 22 1HH1 ARG 22 -13.650 -7.669 -2.748 308 2HH1 ARG 22 2HH1 ARG 22 -14.004 -9.183 -1.984 309 1HH2 ARG 22 1HH2 ARG 22 -16.834 -9.793 -3.889 310 2HH2 ARG 22 2HH2 ARG 22 -15.803 -10.383 -2.628 311 H GLY 23 H GLY 23 -12.462 -2.853 -7.880 312 1HA GLY 23 1HA GLY 23 -11.895 -0.551 -8.488 313 2HA GLY 23 2HA GLY 23 -13.197 0.003 -7.435 314 H PHE 24 H PHE 24 -10.478 0.929 -7.278 315 HA PHE 24 HA PHE 24 -9.785 -0.089 -4.553 316 1HB PHE 24 1HB PHE 24 -7.399 0.312 -5.109 317 2HB PHE 24 2HB PHE 24 -8.120 -0.903 -6.166 318 HD1 PHE 24 HD1 PHE 24 -8.839 -0.277 -8.481 319 HD2 PHE 24 HD2 PHE 24 -6.624 2.410 -5.966 320 HE1 PHE 24 HE1 PHE 24 -8.256 1.097 -10.462 321 HE2 PHE 24 HE2 PHE 24 -6.041 3.784 -7.946 322 HZ PHE 24 HZ PHE 24 -6.857 3.128 -10.194 323 H PHE 25 H PHE 25 -8.651 1.545 -3.214 324 HA PHE 25 HA PHE 25 -9.746 4.244 -3.750 325 1HB PHE 25 1HB PHE 25 -9.294 4.709 -1.435 326 2HB PHE 25 2HB PHE 25 -9.985 3.088 -1.498 327 HD1 PHE 25 HD1 PHE 25 -8.484 1.083 -1.368 328 HD2 PHE 25 HD2 PHE 25 -7.044 5.075 -0.706 329 HE1 PHE 25 HE1 PHE 25 -6.449 0.169 -0.282 330 HE2 PHE 25 HE2 PHE 25 -5.009 4.161 0.378 331 HZ PHE 25 HZ PHE 25 -4.712 1.708 0.590 332 H TYR 26 H TYR 26 -8.468 5.752 -4.682 333 HA TYR 26 HA TYR 26 -5.705 6.127 -3.914 334 1HB TYR 26 1HB TYR 26 -5.642 4.125 -5.511 335 2HB TYR 26 2HB TYR 26 -6.151 5.242 -6.775 336 HD1 TYR 26 HD1 TYR 26 -3.918 6.207 -3.964 337 HD2 TYR 26 HD2 TYR 26 -4.149 5.090 -8.108 338 HE1 TYR 26 HE1 TYR 26 -1.572 6.925 -4.289 339 HE2 TYR 26 HE2 TYR 26 -1.799 5.809 -8.429 340 HH TYR 26 HH TYR 26 0.286 6.505 -5.809 341 H GLU 27 H GLU 27 -4.857 8.112 -4.839 342 HA GLU 27 HA GLU 27 -6.803 10.124 -5.309 343 1HB GLU 27 1HB GLU 27 -3.847 10.063 -5.978 344 2HB GLU 27 2HB GLU 27 -4.852 11.511 -6.067 345 1HG GLU 27 1HG GLU 27 -5.068 11.676 -3.778 346 2HG GLU 27 2HG GLU 27 -4.929 9.935 -3.533 347 HA PRO 28 HA PRO 28 -7.828 9.045 -9.526 348 1HB PRO 28 1HB PRO 28 -9.296 11.486 -9.790 349 2HB PRO 28 2HB PRO 28 -9.942 9.865 -9.504 350 1HG PRO 28 1HG PRO 28 -9.800 12.068 -7.647 351 2HG PRO 28 2HG PRO 28 -10.481 10.458 -7.381 352 1HD PRO 28 1HD PRO 28 -8.024 11.525 -6.335 353 2HD PRO 28 2HD PRO 28 -8.707 9.911 -6.077 354 H LYS 29 H LYS 29 -7.339 12.539 -8.873 355 HA LYS 29 HA LYS 29 -5.869 12.791 -11.423 356 1HB LYS 29 1HB LYS 29 -5.789 15.242 -10.723 357 2HB LYS 29 2HB LYS 29 -7.405 14.578 -10.977 358 1HG LYS 29 1HG LYS 29 -7.974 14.936 -8.826 359 2HG LYS 29 2HG LYS 29 -6.513 14.133 -8.248 360 1HD LYS 29 1HD LYS 29 -5.396 16.410 -9.122 361 2HD LYS 29 2HD LYS 29 -7.009 17.028 -8.761 362 1HE LYS 29 1HE LYS 29 -6.360 15.379 -6.583 363 2HE LYS 29 2HE LYS 29 -4.885 16.283 -6.927 364 1HZ LYS 29 1HZ LYS 29 -7.509 17.631 -6.807 365 2HZ LYS 29 2HZ LYS 29 -6.611 17.339 -5.394 366 3HZ LYS 29 3HZ LYS 29 -5.960 18.302 -6.633 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -1.185 1.032 0.479 2 2H GLY 1 2H GLY 1 -0.351 0.751 1.932 3 3H GLY 1 3H GLY 1 -0.333 2.296 1.223 4 1HA GLY 1 1HA GLY 1 1.696 1.558 0.543 5 2HA GLY 1 2HA GLY 1 1.149 -0.118 0.480 6 H ILE 2 H ILE 2 -0.230 2.832 -0.994 7 HA ILE 2 HA ILE 2 -0.417 1.368 -3.558 8 HB ILE 2 HB ILE 2 -1.499 4.027 -2.600 9 1HG1 ILE 2 1HG1 ILE 2 -2.775 1.418 -3.474 10 2HG1 ILE 2 2HG1 ILE 2 -2.699 2.037 -1.824 11 1HG2 ILE 2 1HG2 ILE 2 -1.008 3.058 -5.320 12 2HG2 ILE 2 2HG2 ILE 2 -2.702 3.454 -5.035 13 3HG2 ILE 2 3HG2 ILE 2 -1.456 4.672 -4.770 14 1HD1 ILE 2 1HD1 ILE 2 -3.854 4.158 -2.937 15 2HD1 ILE 2 2HD1 ILE 2 -4.378 2.962 -4.122 16 3HD1 ILE 2 3HD1 ILE 2 -4.813 2.769 -2.424 17 H VAL 3 H VAL 3 0.310 4.814 -3.044 18 HA VAL 3 HA VAL 3 2.357 4.645 -5.156 19 HB VAL 3 HB VAL 3 1.413 7.026 -3.530 20 1HG1 VAL 3 1HG1 VAL 3 3.695 7.120 -4.688 21 2HG1 VAL 3 2HG1 VAL 3 2.811 7.002 -6.211 22 3HG1 VAL 3 3HG1 VAL 3 2.543 8.376 -5.139 23 1HG2 VAL 3 1HG2 VAL 3 0.144 5.521 -5.625 24 2HG2 VAL 3 2HG2 VAL 3 -0.440 6.974 -4.813 25 3HG2 VAL 3 3HG2 VAL 3 0.573 7.114 -6.250 26 H GLU 4 H GLU 4 2.183 4.823 -1.680 27 HA GLU 4 HA GLU 4 4.937 5.727 -1.337 28 1HB GLU 4 1HB GLU 4 3.525 4.216 0.812 29 2HB GLU 4 2HB GLU 4 4.507 5.674 0.930 30 1HG GLU 4 1HG GLU 4 2.627 6.862 -0.340 31 2HG GLU 4 2HG GLU 4 1.646 5.435 -0.007 32 H GLN 5 H GLN 5 3.473 2.769 -2.164 33 HA GLN 5 HA GLN 5 5.887 1.267 -1.239 34 1HB GLN 5 1HB GLN 5 3.289 0.671 -0.701 35 2HB GLN 5 2HB GLN 5 3.523 -0.246 -2.189 36 1HG GLN 5 1HG GLN 5 4.258 -1.797 -0.627 37 2HG GLN 5 2HG GLN 5 5.774 -0.976 -0.998 38 1HE2 GLN 5 2HE2 GLN 5 6.484 -1.607 1.242 39 2HE2 GLN 5 1HE2 GLN 5 5.959 -0.686 2.567 40 H CYS 6 H CYS 6 3.788 1.951 -4.003 41 HA CYS 6 HA CYS 6 5.539 0.305 -5.747 42 1HB CYS 6 1HB CYS 6 2.901 1.716 -6.204 43 2HB CYS 6 2HB CYS 6 3.825 0.982 -7.515 44 H CYS 7 H CYS 7 4.772 3.639 -4.993 45 HA CYS 7 HA CYS 7 6.317 4.635 -7.299 46 1HB CYS 7 1HB CYS 7 4.183 5.689 -6.093 47 2HB CYS 7 2HB CYS 7 5.427 6.436 -5.097 48 H HIS 8 H HIS 8 6.625 4.235 -3.806 49 HA HIS 8 HA HIS 8 9.244 5.615 -3.840 50 1HB HIS 8 1HB HIS 8 7.629 4.405 -1.582 51 2HB HIS 8 2HB HIS 8 9.174 5.228 -1.374 52 HD1 HIS 8 HD1 HIS 8 6.779 6.470 0.001 53 HD2 HIS 8 HD2 HIS 8 7.870 7.445 -3.903 54 HE1 HIS 8 HE1 HIS 8 5.785 8.750 -0.472 55 H SER 9 H SER 9 8.375 2.618 -4.768 56 HA SER 9 HA SER 9 11.007 1.549 -4.410 57 1HB SER 9 1HB SER 9 9.893 -0.425 -2.909 58 2HB SER 9 2HB SER 9 10.792 0.930 -2.232 59 HG SER 9 HG SER 9 8.282 0.300 -1.811 60 H ILE 10 H ILE 10 10.863 -1.015 -4.698 61 HA ILE 10 HA ILE 10 9.301 -1.394 -7.173 62 HB ILE 10 HB ILE 10 11.087 -3.497 -5.988 63 1HG1 ILE 10 1HG1 ILE 10 12.798 -2.052 -7.535 64 2HG1 ILE 10 2HG1 ILE 10 11.857 -0.762 -6.789 65 1HG2 ILE 10 1HG2 ILE 10 10.076 -2.644 -8.650 66 2HG2 ILE 10 2HG2 ILE 10 11.717 -3.283 -8.602 67 3HG2 ILE 10 3HG2 ILE 10 10.372 -4.268 -8.028 68 1HD1 ILE 10 1HD1 ILE 10 12.660 -2.902 -4.927 69 2HD1 ILE 10 2HD1 ILE 10 14.009 -1.992 -5.605 70 3HD1 ILE 10 3HD1 ILE 10 12.731 -1.152 -4.725 71 H CYS 11 H CYS 11 7.286 -1.365 -5.696 72 HA CYS 11 HA CYS 11 6.717 -3.492 -3.894 73 1HB CYS 11 1HB CYS 11 4.391 -2.885 -4.165 74 2HB CYS 11 2HB CYS 11 5.339 -1.400 -4.217 75 H SER 12 H SER 12 4.253 -4.491 -5.184 76 HA SER 12 HA SER 12 5.307 -6.059 -7.472 77 1HB SER 12 1HB SER 12 3.909 -7.931 -5.906 78 2HB SER 12 2HB SER 12 5.644 -7.892 -6.210 79 HG SER 12 HG SER 12 5.628 -7.656 -4.090 80 H LEU 13 H LEU 13 2.473 -6.775 -5.477 81 HA LEU 13 HA LEU 13 0.573 -5.294 -7.026 82 1HB LEU 13 1HB LEU 13 1.500 -7.801 -8.178 83 2HB LEU 13 2HB LEU 13 -0.235 -7.840 -7.865 84 HG LEU 13 HG LEU 13 1.093 -5.505 -9.251 85 1HD1 LEU 13 1HD1 LEU 13 1.324 -7.877 -10.369 86 2HD1 LEU 13 2HD1 LEU 13 -0.389 -7.661 -10.729 87 3HD1 LEU 13 3HD1 LEU 13 0.793 -6.504 -11.341 88 1HD2 LEU 13 1HD2 LEU 13 -1.482 -5.957 -8.225 89 2HD2 LEU 13 2HD2 LEU 13 -1.008 -4.673 -9.336 90 3HD2 LEU 13 3HD2 LEU 13 -1.644 -6.194 -9.965 91 H TYR 14 H TYR 14 1.215 -8.212 -5.111 92 HA TYR 14 HA TYR 14 -1.408 -8.745 -4.205 93 1HB TYR 14 1HB TYR 14 1.327 -9.331 -3.283 94 2HB TYR 14 2HB TYR 14 0.139 -9.259 -1.981 95 HD1 TYR 14 HD1 TYR 14 -2.310 -10.246 -3.161 96 HD2 TYR 14 HD2 TYR 14 1.725 -11.580 -3.790 97 HE1 TYR 14 HE1 TYR 14 -3.151 -12.489 -3.804 98 HE2 TYR 14 HE2 TYR 14 0.882 -13.823 -4.433 99 HH TYR 14 HH TYR 14 -1.904 -15.014 -3.715 100 H GLN 15 H GLN 15 0.698 -6.094 -3.497 101 HA GLN 15 HA GLN 15 -0.618 -5.334 -1.005 102 1HB GLN 15 1HB GLN 15 1.081 -3.585 -2.802 103 2HB GLN 15 2HB GLN 15 0.780 -3.379 -1.076 104 1HG GLN 15 1HG GLN 15 2.124 -5.840 -2.212 105 2HG GLN 15 2HG GLN 15 3.028 -4.420 -1.686 106 1HE2 GLN 15 2HE2 GLN 15 3.775 -4.666 0.417 107 2HE2 GLN 15 1HE2 GLN 15 2.956 -5.483 1.659 108 H LEU 16 H LEU 16 -0.896 -4.462 -4.426 109 HA LEU 16 HA LEU 16 -2.863 -2.359 -3.854 110 1HB LEU 16 1HB LEU 16 -2.232 -3.593 -6.545 111 2HB LEU 16 2HB LEU 16 -2.909 -1.996 -6.219 112 HG LEU 16 HG LEU 16 -0.135 -2.911 -5.405 113 1HD1 LEU 16 1HD1 LEU 16 -0.853 -2.362 -7.930 114 2HD1 LEU 16 2HD1 LEU 16 -0.621 -0.710 -7.358 115 3HD1 LEU 16 3HD1 LEU 16 0.708 -1.866 -7.276 116 1HD2 LEU 16 1HD2 LEU 16 -1.836 -0.633 -4.689 117 2HD2 LEU 16 2HD2 LEU 16 -0.349 -1.202 -3.932 118 3HD2 LEU 16 3HD2 LEU 16 -0.270 -0.140 -5.336 119 H GLU 17 H GLU 17 -3.039 -5.637 -3.729 120 HA GLU 17 HA GLU 17 -5.607 -5.959 -5.128 121 1HB GLU 17 1HB GLU 17 -3.575 -7.700 -4.496 122 2HB GLU 17 2HB GLU 17 -4.773 -8.075 -3.257 123 1HG GLU 17 1HG GLU 17 -5.300 -7.986 -6.243 124 2HG GLU 17 2HG GLU 17 -5.133 -9.451 -5.275 125 H ASN 18 H ASN 18 -4.611 -4.795 -2.123 126 HA ASN 18 HA ASN 18 -7.038 -5.720 -0.701 127 1HB ASN 18 1HB ASN 18 -5.307 -3.711 0.605 128 2HB ASN 18 2HB ASN 18 -5.937 -5.232 1.235 129 1HD2 ASN 18 2HD2 ASN 18 -3.063 -3.945 0.972 130 2HD2 ASN 18 1HD2 ASN 18 -2.135 -5.235 0.378 131 H TYR 19 H TYR 19 -5.991 -3.088 -2.603 132 HA TYR 19 HA TYR 19 -7.893 -1.183 -1.379 133 1HB TYR 19 1HB TYR 19 -6.327 -0.724 -3.913 134 2HB TYR 19 2HB TYR 19 -6.878 0.463 -2.729 135 HD1 TYR 19 HD1 TYR 19 -6.081 -1.117 -0.233 136 HD2 TYR 19 HD2 TYR 19 -3.977 -0.218 -3.867 137 HE1 TYR 19 HE1 TYR 19 -3.918 -1.318 0.969 138 HE2 TYR 19 HE2 TYR 19 -1.817 -0.418 -2.668 139 HH TYR 19 HH TYR 19 -1.070 -1.769 -0.442 140 H CYS 20 H CYS 20 -8.609 -3.745 -2.924 141 HA CYS 20 HA CYS 20 -10.071 -2.624 -5.237 142 1HB CYS 20 1HB CYS 20 -9.052 -4.729 -5.693 143 2HB CYS 20 2HB CYS 20 -9.625 -5.421 -4.179 144 H ASN 21 H ASN 21 -12.292 -2.344 -5.256 145 HA ASN 21 HA ASN 21 -13.656 -2.277 -2.687 146 1HB ASN 21 1HB ASN 21 -14.621 -1.820 -5.526 147 2HB ASN 21 2HB ASN 21 -15.638 -1.608 -4.099 148 1HD2 ASN 21 2HD2 ASN 21 -14.038 0.236 -6.209 149 2HD2 ASN 21 1HD2 ASN 21 -13.463 1.474 -5.200 150 1H GLU 1 1H GLU 1 11.968 -1.141 -13.790 151 2H GLU 1 2H GLU 1 12.187 0.544 -13.778 152 3H GLU 1 3H GLU 1 11.165 -0.174 -14.930 153 HA GLU 1 HA GLU 1 12.900 -1.039 -16.161 154 1HB GLU 1 1HB GLU 1 13.855 1.578 -14.959 155 2HB GLU 1 2HB GLU 1 14.506 0.852 -16.429 156 1HG GLU 1 1HG GLU 1 11.753 0.829 -16.846 157 2HG GLU 1 2HG GLU 1 12.044 2.378 -16.054 158 H VAL 2 H VAL 2 14.169 0.093 -13.017 159 HA VAL 2 HA VAL 2 16.114 -2.173 -13.145 160 HB VAL 2 HB VAL 2 17.544 -0.477 -11.677 161 1HG1 VAL 2 1HG1 VAL 2 17.259 -0.569 -14.684 162 2HG1 VAL 2 2HG1 VAL 2 18.525 0.376 -13.899 163 3HG1 VAL 2 3HG1 VAL 2 18.462 -1.373 -13.675 164 1HG2 VAL 2 1HG2 VAL 2 15.481 1.169 -12.056 165 2HG2 VAL 2 2HG2 VAL 2 17.135 1.779 -12.018 166 3HG2 VAL 2 3HG2 VAL 2 16.330 1.507 -13.564 167 H ASN 3 H ASN 3 15.981 0.119 -10.502 168 HA ASN 3 HA ASN 3 14.784 -2.038 -8.813 169 1HB ASN 3 1HB ASN 3 16.245 0.299 -7.639 170 2HB ASN 3 2HB ASN 3 16.129 -1.359 -7.048 171 1HD2 ASN 3 2HD2 ASN 3 18.437 0.632 -8.091 172 2HD2 ASN 3 1HD2 ASN 3 19.411 -0.427 -8.990 173 H GLN 4 H GLN 4 13.028 -0.447 -10.279 174 HA GLN 4 HA GLN 4 11.738 1.103 -8.086 175 1HB GLN 4 1HB GLN 4 12.810 2.155 -10.571 176 2HB GLN 4 2HB GLN 4 11.075 2.447 -10.454 177 1HG GLN 4 1HG GLN 4 11.906 3.049 -7.908 178 2HG GLN 4 2HG GLN 4 13.283 3.593 -8.870 179 1HE2 GLN 4 2HE2 GLN 4 9.706 3.906 -8.659 180 2HE2 GLN 4 1HE2 GLN 4 9.649 5.451 -9.360 181 H HIS 5 H HIS 5 9.500 1.929 -9.601 182 HA HIS 5 HA HIS 5 8.379 -0.264 -11.115 183 1HB HIS 5 1HB HIS 5 8.028 -0.206 -8.178 184 2HB HIS 5 2HB HIS 5 6.541 -0.427 -9.107 185 HD1 HIS 5 HD1 HIS 5 7.338 -2.840 -7.578 186 HD2 HIS 5 HD2 HIS 5 8.899 -2.075 -11.361 187 HE1 HIS 5 HE1 HIS 5 8.263 -5.033 -8.427 188 H LEU 6 H LEU 6 5.734 0.108 -10.892 189 HA LEU 6 HA LEU 6 5.113 2.436 -12.258 190 1HB LEU 6 1HB LEU 6 3.290 1.270 -10.143 191 2HB LEU 6 2HB LEU 6 2.823 2.109 -11.618 192 HG LEU 6 HG LEU 6 4.379 0.089 -12.598 193 1HD1 LEU 6 1HD1 LEU 6 3.423 -0.676 -9.939 194 2HD1 LEU 6 2HD1 LEU 6 2.904 -1.796 -11.198 195 3HD1 LEU 6 3HD1 LEU 6 4.620 -1.464 -10.968 196 1HD2 LEU 6 1HD2 LEU 6 1.397 0.204 -12.087 197 2HD2 LEU 6 2HD2 LEU 6 2.251 0.711 -13.545 198 3HD2 LEU 6 3HD2 LEU 6 2.154 -1.001 -13.130 199 H CYS 7 H CYS 7 5.494 4.529 -11.705 200 HA CYS 7 HA CYS 7 5.156 5.267 -8.832 201 1HB CYS 7 1HB CYS 7 7.548 5.271 -10.061 202 2HB CYS 7 2HB CYS 7 6.991 6.872 -10.544 203 H GLY 8 H GLY 8 2.937 5.892 -9.390 204 1HA GLY 8 1HA GLY 8 1.550 7.840 -9.589 205 2HA GLY 8 2HA GLY 8 2.847 8.642 -10.473 206 H SER 9 H SER 9 -0.175 7.468 -10.876 207 HA SER 9 HA SER 9 -1.445 7.128 -12.824 208 1HB SER 9 1HB SER 9 0.970 8.388 -13.753 209 2HB SER 9 2HB SER 9 0.501 7.131 -14.895 210 HG SER 9 HG SER 9 -1.181 8.278 -15.432 211 H GLU 10 H GLU 10 1.587 5.781 -14.098 212 HA GLU 10 HA GLU 10 0.624 3.404 -15.085 213 1HB GLU 10 1HB GLU 10 2.891 2.397 -14.396 214 2HB GLU 10 2HB GLU 10 2.935 3.840 -15.410 215 1HG GLU 10 1HG GLU 10 2.947 5.073 -13.050 216 2HG GLU 10 2HG GLU 10 3.624 3.537 -12.516 217 H LEU 11 H LEU 11 1.056 4.235 -11.711 218 HA LEU 11 HA LEU 11 0.820 1.583 -10.627 219 1HB LEU 11 1HB LEU 11 1.568 3.701 -9.399 220 2HB LEU 11 2HB LEU 11 -0.140 4.134 -9.306 221 HG LEU 11 HG LEU 11 0.713 2.931 -7.267 222 1HD1 LEU 11 1HD1 LEU 11 -1.704 2.788 -8.398 223 2HD1 LEU 11 2HD1 LEU 11 -1.256 1.088 -8.548 224 3HD1 LEU 11 3HD1 LEU 11 -1.301 1.852 -6.959 225 1HD2 LEU 11 1HD2 LEU 11 2.246 1.427 -8.622 226 2HD2 LEU 11 2HD2 LEU 11 1.278 0.599 -7.403 227 3HD2 LEU 11 3HD2 LEU 11 0.809 0.522 -9.101 228 H VAL 12 H VAL 12 -1.596 4.192 -11.022 229 HA VAL 12 HA VAL 12 -3.864 2.768 -10.165 230 HB VAL 12 HB VAL 12 -3.536 5.271 -10.961 231 1HG1 VAL 12 1HG1 VAL 12 -3.074 4.650 -13.328 232 2HG1 VAL 12 2HG1 VAL 12 -4.698 3.976 -13.446 233 3HG1 VAL 12 3HG1 VAL 12 -4.478 5.703 -13.173 234 1HG2 VAL 12 1HG2 VAL 12 -5.981 3.527 -11.079 235 2HG2 VAL 12 2HG2 VAL 12 -5.553 4.762 -9.895 236 3HG2 VAL 12 3HG2 VAL 12 -6.106 5.235 -11.502 237 H GLU 13 H GLU 13 -2.431 2.902 -13.430 238 HA GLU 13 HA GLU 13 -4.341 1.404 -14.837 239 1HB GLU 13 1HB GLU 13 -1.335 1.563 -15.085 240 2HB GLU 13 2HB GLU 13 -2.304 0.589 -16.191 241 1HG GLU 13 1HG GLU 13 -3.725 2.717 -16.528 242 2HG GLU 13 2HG GLU 13 -2.382 3.577 -15.774 243 H ALA 14 H ALA 14 -1.830 0.282 -12.623 244 HA ALA 14 HA ALA 14 -2.458 -2.541 -13.203 245 1HB ALA 14 1HB ALA 14 -0.382 -1.066 -11.676 246 2HB ALA 14 2HB ALA 14 -0.831 -2.647 -11.037 247 3HB ALA 14 3HB ALA 14 -0.228 -2.503 -12.687 248 H LEU 15 H LEU 15 -3.360 -0.063 -10.963 249 HA LEU 15 HA LEU 15 -4.232 -1.734 -8.792 250 1HB LEU 15 1HB LEU 15 -4.403 1.075 -9.559 251 2HB LEU 15 2HB LEU 15 -5.892 0.513 -8.802 252 HG LEU 15 HG LEU 15 -3.118 0.115 -7.645 253 1HD1 LEU 15 1HD1 LEU 15 -5.100 2.304 -7.459 254 2HD1 LEU 15 2HD1 LEU 15 -4.457 1.742 -5.915 255 3HD1 LEU 15 3HD1 LEU 15 -3.362 2.332 -7.166 256 1HD2 LEU 15 1HD2 LEU 15 -4.841 -1.595 -7.033 257 2HD2 LEU 15 2HD2 LEU 15 -4.326 -0.626 -5.654 258 3HD2 LEU 15 3HD2 LEU 15 -5.873 -0.296 -6.435 259 H GLU 16 H GLU 16 -5.552 -1.009 -11.908 260 HA GLU 16 HA GLU 16 -8.271 -1.881 -11.152 261 1HB GLU 16 1HB GLU 16 -7.600 -1.582 -14.021 262 2HB GLU 16 2HB GLU 16 -8.966 -0.936 -13.112 263 1HG GLU 16 1HG GLU 16 -7.059 0.563 -12.006 264 2HG GLU 16 2HG GLU 16 -6.244 0.230 -13.535 265 H LEU 17 H LEU 17 -5.357 -3.309 -12.174 266 HA LEU 17 HA LEU 17 -6.700 -5.581 -13.515 267 1HB LEU 17 1HB LEU 17 -3.945 -4.533 -13.325 268 2HB LEU 17 2HB LEU 17 -4.065 -6.293 -13.314 269 HG LEU 17 HG LEU 17 -3.859 -5.353 -15.620 270 1HD1 LEU 17 1HD1 LEU 17 -5.441 -7.392 -14.749 271 2HD1 LEU 17 2HD1 LEU 17 -6.630 -6.396 -15.589 272 3HD1 LEU 17 3HD1 LEU 17 -5.213 -6.992 -16.450 273 1HD2 LEU 17 1HD2 LEU 17 -5.310 -3.295 -14.879 274 2HD2 LEU 17 2HD2 LEU 17 -5.461 -3.903 -16.528 275 3HD2 LEU 17 3HD2 LEU 17 -6.672 -4.326 -15.318 276 H VAL 18 H VAL 18 -5.836 -4.663 -10.378 277 HA VAL 18 HA VAL 18 -5.484 -7.482 -9.494 278 HB VAL 18 HB VAL 18 -5.378 -5.692 -7.274 279 1HG1 VAL 18 1HG1 VAL 18 -4.163 -7.890 -7.768 280 2HG1 VAL 18 2HG1 VAL 18 -3.041 -6.932 -8.734 281 3HG1 VAL 18 3HG1 VAL 18 -3.202 -6.622 -7.005 282 1HG2 VAL 18 1HG2 VAL 18 -3.733 -4.796 -9.664 283 2HG2 VAL 18 2HG2 VAL 18 -4.975 -3.855 -8.840 284 3HG2 VAL 18 3HG2 VAL 18 -3.471 -4.250 -8.008 285 H CYS 19 H CYS 19 -7.649 -4.716 -9.191 286 HA CYS 19 HA CYS 19 -9.299 -5.857 -7.127 287 1HB CYS 19 1HB CYS 19 -9.299 -3.437 -7.735 288 2HB CYS 19 2HB CYS 19 -10.066 -3.850 -9.268 289 H GLY 20 H GLY 20 -10.446 -5.247 -10.452 290 1HA GLY 20 1HA GLY 20 -10.889 -7.579 -11.639 291 2HA GLY 20 2HA GLY 20 -11.975 -7.789 -10.266 292 H GLU 21 H GLU 21 -11.314 -4.852 -12.174 293 HA GLU 21 HA GLU 21 -12.765 -3.536 -13.471 294 1HB GLU 21 1HB GLU 21 -13.270 -5.845 -14.488 295 2HB GLU 21 2HB GLU 21 -14.696 -5.859 -13.449 296 1HG GLU 21 1HG GLU 21 -15.602 -3.915 -14.494 297 2HG GLU 21 2HG GLU 21 -14.079 -3.558 -15.310 298 H ARG 22 H ARG 22 -13.220 -4.414 -10.398 299 HA ARG 22 HA ARG 22 -15.962 -3.336 -10.092 300 1HB ARG 22 1HB ARG 22 -13.979 -4.630 -8.219 301 2HB ARG 22 2HB ARG 22 -15.391 -3.774 -7.599 302 1HG ARG 22 1HG ARG 22 -16.809 -5.209 -9.134 303 2HG ARG 22 2HG ARG 22 -15.362 -6.166 -9.453 304 1HD ARG 22 1HD ARG 22 -16.582 -7.251 -7.671 305 2HD ARG 22 2HD ARG 22 -15.140 -6.516 -6.967 306 HE ARG 22 HE ARG 22 -17.074 -4.559 -6.680 307 1HH1 ARG 22 1HH1 ARG 22 -16.790 -7.911 -5.897 308 2HH1 ARG 22 2HH1 ARG 22 -17.802 -7.802 -4.497 309 1HH2 ARG 22 1HH2 ARG 22 -18.393 -4.406 -4.854 310 2HH2 ARG 22 2HH2 ARG 22 -18.708 -5.821 -3.906 311 H GLY 23 H GLY 23 -12.676 -2.330 -9.940 312 1HA GLY 23 1HA GLY 23 -12.090 0.017 -9.921 313 2HA GLY 23 2HA GLY 23 -13.576 0.353 -9.030 314 H PHE 24 H PHE 24 -11.315 1.442 -8.013 315 HA PHE 24 HA PHE 24 -11.018 -0.029 -5.469 316 1HB PHE 24 1HB PHE 24 -8.464 0.407 -5.653 317 2HB PHE 24 2HB PHE 24 -9.131 -0.959 -6.548 318 HD1 PHE 24 HD1 PHE 24 -9.699 -0.670 -9.000 319 HD2 PHE 24 HD2 PHE 24 -7.443 2.236 -6.782 320 HE1 PHE 24 HE1 PHE 24 -8.890 0.322 -11.123 321 HE2 PHE 24 HE2 PHE 24 -6.633 3.228 -8.906 322 HZ PHE 24 HZ PHE 24 -7.359 2.271 -11.077 323 H PHE 25 H PHE 25 -9.074 1.529 -4.294 324 HA PHE 25 HA PHE 25 -10.295 4.254 -4.445 325 1HB PHE 25 1HB PHE 25 -9.271 2.582 -2.185 326 2HB PHE 25 2HB PHE 25 -9.094 4.334 -2.066 327 HD1 PHE 25 HD1 PHE 25 -11.451 5.373 -3.406 328 HD2 PHE 25 HD2 PHE 25 -11.076 1.966 -0.818 329 HE1 PHE 25 HE1 PHE 25 -13.844 5.578 -2.791 330 HE2 PHE 25 HE2 PHE 25 -13.470 2.171 -0.202 331 HZ PHE 25 HZ PHE 25 -14.854 3.977 -1.189 332 H TYR 26 H TYR 26 -8.912 6.040 -4.603 333 HA TYR 26 HA TYR 26 -5.989 5.596 -4.532 334 1HB TYR 26 1HB TYR 26 -7.075 5.217 -6.921 335 2HB TYR 26 2HB TYR 26 -7.085 6.980 -6.955 336 HD1 TYR 26 HD1 TYR 26 -4.717 7.873 -5.693 337 HD2 TYR 26 HD2 TYR 26 -5.258 4.350 -8.093 338 HE1 TYR 26 HE1 TYR 26 -2.300 7.878 -6.247 339 HE2 TYR 26 HE2 TYR 26 -2.843 4.356 -8.646 340 HH TYR 26 HH TYR 26 -0.844 6.991 -8.122 341 H GLU 27 H GLU 27 -6.847 7.023 -2.609 342 HA GLU 27 HA GLU 27 -7.593 9.753 -3.178 343 1HB GLU 27 1HB GLU 27 -7.461 8.148 -0.908 344 2HB GLU 27 2HB GLU 27 -6.214 9.364 -0.634 345 1HG GLU 27 1HG GLU 27 -8.070 11.037 -1.463 346 2HG GLU 27 2HG GLU 27 -9.169 9.736 -1.002 347 HA PRO 28 HA PRO 28 -3.491 10.980 -4.498 348 1HB PRO 28 1HB PRO 28 -4.340 13.715 -4.510 349 2HB PRO 28 2HB PRO 28 -4.133 12.641 -5.901 350 1HG PRO 28 1HG PRO 28 -6.600 13.591 -4.753 351 2HG PRO 28 2HG PRO 28 -6.387 12.536 -6.157 352 1HD PRO 28 1HD PRO 28 -7.330 11.815 -3.536 353 2HD PRO 28 2HD PRO 28 -7.115 10.762 -4.945 354 H LYS 29 H LYS 29 -5.284 13.069 -2.198 355 HA LYS 29 HA LYS 29 -2.748 13.701 -0.817 356 1HB LYS 29 1HB LYS 29 -4.229 15.176 0.585 357 2HB LYS 29 2HB LYS 29 -4.280 15.553 -1.137 358 1HG LYS 29 1HG LYS 29 -6.499 15.200 -1.154 359 2HG LYS 29 2HG LYS 29 -6.241 13.539 -0.621 360 1HD LYS 29 1HD LYS 29 -6.234 14.238 1.711 361 2HD LYS 29 2HD LYS 29 -6.348 15.934 1.236 362 1HE LYS 29 1HE LYS 29 -8.484 14.902 -0.099 363 2HE LYS 29 2HE LYS 29 -8.450 13.851 1.316 364 1HZ LYS 29 1HZ LYS 29 -8.065 16.667 1.863 365 2HZ LYS 29 2HZ LYS 29 -9.604 16.259 1.268 366 3HZ LYS 29 3HZ LYS 29 -9.013 15.521 2.679 Start of MODEL 8 1 1H GLY 1 1H GLY 1 3.293 1.166 1.169 2 2H GLY 1 2H GLY 1 2.942 1.137 2.828 3 3H GLY 1 3H GLY 1 2.886 -0.301 1.923 4 1HA GLY 1 1HA GLY 1 0.669 0.185 2.051 5 2HA GLY 1 2HA GLY 1 0.970 1.923 2.011 6 H ILE 2 H ILE 2 1.453 2.915 -0.034 7 HA ILE 2 HA ILE 2 1.167 1.200 -2.443 8 HB ILE 2 HB ILE 2 -0.466 3.725 -2.132 9 1HG1 ILE 2 1HG1 ILE 2 -1.253 0.857 -1.532 10 2HG1 ILE 2 2HG1 ILE 2 -1.232 2.204 -0.394 11 1HG2 ILE 2 1HG2 ILE 2 0.176 2.112 -4.313 12 2HG2 ILE 2 2HG2 ILE 2 -1.439 1.575 -3.850 13 3HG2 ILE 2 3HG2 ILE 2 -1.151 3.271 -4.235 14 1HD1 ILE 2 1HD1 ILE 2 -2.907 3.366 -1.911 15 2HD1 ILE 2 2HD1 ILE 2 -3.052 1.840 -2.785 16 3HD1 ILE 2 3HD1 ILE 2 -3.515 1.931 -1.086 17 H VAL 3 H VAL 3 1.300 4.671 -1.546 18 HA VAL 3 HA VAL 3 3.192 5.139 -3.764 19 HB VAL 3 HB VAL 3 1.801 6.963 -1.790 20 1HG1 VAL 3 1HG1 VAL 3 4.004 7.515 -3.770 21 2HG1 VAL 3 2HG1 VAL 3 2.829 8.764 -3.362 22 3HG1 VAL 3 3HG1 VAL 3 3.854 8.073 -2.105 23 1HG2 VAL 3 1HG2 VAL 3 0.777 5.854 -3.991 24 2HG2 VAL 3 2HG2 VAL 3 0.411 7.523 -3.552 25 3HG2 VAL 3 3HG2 VAL 3 1.642 7.180 -4.769 26 H GLU 4 H GLU 4 3.248 4.590 -0.354 27 HA GLU 4 HA GLU 4 5.856 5.878 0.048 28 1HB GLU 4 1HB GLU 4 4.753 3.883 1.987 29 2HB GLU 4 2HB GLU 4 5.574 5.411 2.297 30 1HG GLU 4 1HG GLU 4 3.473 6.491 1.205 31 2HG GLU 4 2HG GLU 4 2.703 4.941 1.539 32 H GLN 5 H GLN 5 4.637 2.737 -0.832 33 HA GLN 5 HA GLN 5 7.339 1.547 -0.423 34 1HB GLN 5 1HB GLN 5 4.887 0.514 0.179 35 2HB GLN 5 2HB GLN 5 5.141 -0.156 -1.433 36 1HG GLN 5 1HG GLN 5 6.047 -1.659 0.308 37 2HG GLN 5 2HG GLN 5 7.329 -1.043 -0.735 38 1HE2 GLN 5 2HE2 GLN 5 5.789 0.979 1.741 39 2HE2 GLN 5 1HE2 GLN 5 7.148 1.078 2.752 40 H CYS 6 H CYS 6 5.104 2.604 -2.874 41 HA CYS 6 HA CYS 6 6.665 1.248 -5.002 42 1HB CYS 6 1HB CYS 6 4.163 2.955 -5.134 43 2HB CYS 6 2HB CYS 6 4.900 2.133 -6.508 44 H CYS 7 H CYS 7 6.099 4.415 -3.608 45 HA CYS 7 HA CYS 7 7.599 5.742 -5.778 46 1HB CYS 7 1HB CYS 7 5.549 6.667 -4.384 47 2HB CYS 7 2HB CYS 7 6.818 7.148 -3.261 48 H HIS 8 H HIS 8 7.959 4.929 -2.343 49 HA HIS 8 HA HIS 8 10.643 6.116 -2.231 50 1HB HIS 8 1HB HIS 8 9.373 4.271 -0.195 51 2HB HIS 8 2HB HIS 8 10.655 5.453 0.068 52 HD1 HIS 8 HD1 HIS 8 8.392 5.914 1.878 53 HD2 HIS 8 HD2 HIS 8 8.327 7.404 -2.014 54 HE1 HIS 8 HE1 HIS 8 6.700 7.797 1.861 55 H SER 9 H SER 9 9.259 3.123 -3.162 56 HA SER 9 HA SER 9 11.932 2.006 -3.637 57 1HB SER 9 1HB SER 9 11.681 0.034 -2.304 58 2HB SER 9 2HB SER 9 11.296 1.385 -1.243 59 HG SER 9 HG SER 9 9.393 0.545 -1.023 60 H ILE 10 H ILE 10 10.765 -0.722 -3.868 61 HA ILE 10 HA ILE 10 9.150 -0.227 -6.335 62 HB ILE 10 HB ILE 10 10.806 -2.687 -5.729 63 1HG1 ILE 10 1HG1 ILE 10 12.104 -1.257 -7.723 64 2HG1 ILE 10 2HG1 ILE 10 11.621 -0.002 -6.581 65 1HG2 ILE 10 1HG2 ILE 10 9.017 -2.918 -7.419 66 2HG2 ILE 10 2HG2 ILE 10 9.668 -1.531 -8.293 67 3HG2 ILE 10 3HG2 ILE 10 10.613 -3.015 -8.166 68 1HD1 ILE 10 1HD1 ILE 10 12.534 -1.745 -4.799 69 2HD1 ILE 10 2HD1 ILE 10 13.468 -2.323 -6.178 70 3HD1 ILE 10 3HD1 ILE 10 13.636 -0.652 -5.638 71 H CYS 11 H CYS 11 7.512 -1.889 -6.822 72 HA CYS 11 HA CYS 11 6.539 -3.312 -4.380 73 1HB CYS 11 1HB CYS 11 4.855 -1.844 -6.437 74 2HB CYS 11 2HB CYS 11 4.231 -2.755 -5.060 75 H SER 12 H SER 12 4.210 -4.130 -6.283 76 HA SER 12 HA SER 12 5.509 -5.763 -8.313 77 1HB SER 12 1HB SER 12 4.572 -7.913 -7.164 78 2HB SER 12 2HB SER 12 6.111 -7.262 -6.609 79 HG SER 12 HG SER 12 5.204 -6.666 -4.783 80 H LEU 13 H LEU 13 2.714 -6.864 -6.494 81 HA LEU 13 HA LEU 13 0.717 -5.466 -8.008 82 1HB LEU 13 1HB LEU 13 1.907 -7.819 -9.259 83 2HB LEU 13 2HB LEU 13 0.169 -8.009 -9.021 84 HG LEU 13 HG LEU 13 1.263 -5.445 -10.153 85 1HD1 LEU 13 1HD1 LEU 13 0.694 -8.020 -11.650 86 2HD1 LEU 13 2HD1 LEU 13 0.828 -6.442 -12.427 87 3HD1 LEU 13 3HD1 LEU 13 2.221 -7.136 -11.596 88 1HD2 LEU 13 1HD2 LEU 13 -1.295 -6.523 -9.527 89 2HD2 LEU 13 2HD2 LEU 13 -0.936 -4.978 -10.300 90 3HD2 LEU 13 3HD2 LEU 13 -1.192 -6.417 -11.285 91 H TYR 14 H TYR 14 1.411 -8.653 -6.522 92 HA TYR 14 HA TYR 14 -1.200 -9.201 -5.598 93 1HB TYR 14 1HB TYR 14 0.139 -10.352 -3.632 94 2HB TYR 14 2HB TYR 14 0.254 -10.992 -5.271 95 HD1 TYR 14 HD1 TYR 14 1.937 -8.855 -2.748 96 HD2 TYR 14 HD2 TYR 14 2.303 -10.899 -6.507 97 HE1 TYR 14 HE1 TYR 14 4.385 -8.453 -2.727 98 HE2 TYR 14 HE2 TYR 14 4.751 -10.497 -6.487 99 HH TYR 14 HH TYR 14 6.409 -9.296 -5.495 100 H GLN 15 H GLN 15 1.112 -6.852 -4.501 101 HA GLN 15 HA GLN 15 -0.123 -6.440 -1.888 102 1HB GLN 15 1HB GLN 15 1.446 -4.256 -3.182 103 2HB GLN 15 2HB GLN 15 1.529 -4.870 -1.532 104 1HG GLN 15 1HG GLN 15 2.439 -7.046 -2.738 105 2HG GLN 15 2HG GLN 15 2.867 -5.897 -4.004 106 1HE2 GLN 15 2HE2 GLN 15 3.185 -6.305 -0.431 107 2HE2 GLN 15 1HE2 GLN 15 4.700 -5.548 -0.331 108 H LEU 16 H LEU 16 -0.342 -4.971 -5.100 109 HA LEU 16 HA LEU 16 -2.153 -2.863 -4.234 110 1HB LEU 16 1HB LEU 16 -1.595 -3.920 -7.022 111 2HB LEU 16 2HB LEU 16 -2.381 -2.390 -6.628 112 HG LEU 16 HG LEU 16 0.370 -3.043 -5.576 113 1HD1 LEU 16 1HD1 LEU 16 -0.452 -2.103 -8.304 114 2HD1 LEU 16 2HD1 LEU 16 1.021 -1.453 -7.586 115 3HD1 LEU 16 3HD1 LEU 16 0.860 -3.189 -7.846 116 1HD2 LEU 16 1HD2 LEU 16 -1.474 -0.928 -5.239 117 2HD2 LEU 16 2HD2 LEU 16 0.203 -0.975 -4.696 118 3HD2 LEU 16 3HD2 LEU 16 -0.193 -0.294 -6.273 119 H GLU 17 H GLU 17 -2.590 -6.121 -4.420 120 HA GLU 17 HA GLU 17 -5.248 -6.110 -5.675 121 1HB GLU 17 1HB GLU 17 -3.348 -8.065 -5.312 122 2HB GLU 17 2HB GLU 17 -4.509 -8.442 -4.038 123 1HG GLU 17 1HG GLU 17 -6.336 -8.472 -5.665 124 2HG GLU 17 2HG GLU 17 -5.222 -8.011 -6.953 125 H ASN 18 H ASN 18 -3.931 -5.532 -2.569 126 HA ASN 18 HA ASN 18 -6.499 -6.172 -1.226 127 1HB ASN 18 1HB ASN 18 -4.333 -4.930 0.360 128 2HB ASN 18 2HB ASN 18 -5.317 -6.348 0.716 129 1HD2 ASN 18 2HD2 ASN 18 -2.215 -5.321 -0.380 130 2HD2 ASN 18 1HD2 ASN 18 -1.633 -6.843 -0.856 131 H TYR 19 H TYR 19 -5.262 -3.643 -2.938 132 HA TYR 19 HA TYR 19 -6.372 -1.549 -1.145 133 1HB TYR 19 1HB TYR 19 -5.052 -1.149 -3.838 134 2HB TYR 19 2HB TYR 19 -5.301 0.050 -2.570 135 HD1 TYR 19 HD1 TYR 19 -4.590 -2.244 -0.396 136 HD2 TYR 19 HD2 TYR 19 -2.624 -0.526 -3.808 137 HE1 TYR 19 HE1 TYR 19 -2.385 -2.821 0.583 138 HE2 TYR 19 HE2 TYR 19 -0.423 -1.099 -2.829 139 HH TYR 19 HH TYR 19 0.252 -3.150 -0.902 140 H CYS 20 H CYS 20 -7.948 -3.611 -2.824 141 HA CYS 20 HA CYS 20 -9.397 -1.728 -4.611 142 1HB CYS 20 1HB CYS 20 -8.787 -3.929 -5.552 143 2HB CYS 20 2HB CYS 20 -9.717 -4.726 -4.280 144 H ASN 21 H ASN 21 -11.757 -1.648 -4.493 145 HA ASN 21 HA ASN 21 -12.718 -1.259 -1.817 146 1HB ASN 21 1HB ASN 21 -14.111 -1.433 -4.500 147 2HB ASN 21 2HB ASN 21 -14.979 -1.100 -2.999 148 1HD2 ASN 21 2HD2 ASN 21 -13.831 0.516 -5.565 149 2HD2 ASN 21 1HD2 ASN 21 -13.336 1.968 -4.837 150 1H GLU 1 1H GLU 1 8.621 -2.641 -16.091 151 2H GLU 1 2H GLU 1 7.464 -1.702 -16.906 152 3H GLU 1 3H GLU 1 8.382 -1.021 -15.648 153 HA GLU 1 HA GLU 1 6.836 -1.598 -14.191 154 1HB GLU 1 1HB GLU 1 4.797 -2.842 -15.038 155 2HB GLU 1 2HB GLU 1 5.184 -1.371 -15.933 156 1HG GLU 1 1HG GLU 1 5.684 -2.515 -17.831 157 2HG GLU 1 2HG GLU 1 6.532 -3.785 -16.949 158 H VAL 2 H VAL 2 9.167 -3.280 -14.415 159 HA VAL 2 HA VAL 2 8.024 -5.951 -13.715 160 HB VAL 2 HB VAL 2 10.534 -6.624 -13.998 161 1HG1 VAL 2 1HG1 VAL 2 8.372 -6.840 -15.589 162 2HG1 VAL 2 2HG1 VAL 2 9.370 -5.810 -16.616 163 3HG1 VAL 2 3HG1 VAL 2 9.972 -7.383 -16.093 164 1HG2 VAL 2 1HG2 VAL 2 11.037 -4.039 -14.193 165 2HG2 VAL 2 2HG2 VAL 2 11.923 -5.183 -15.202 166 3HG2 VAL 2 3HG2 VAL 2 10.567 -4.279 -15.877 167 H ASN 3 H ASN 3 10.176 -3.365 -12.636 168 HA ASN 3 HA ASN 3 9.717 -3.997 -9.864 169 1HB ASN 3 1HB ASN 3 12.306 -4.441 -9.524 170 2HB ASN 3 2HB ASN 3 11.216 -5.773 -9.914 171 1HD2 ASN 3 2HD2 ASN 3 12.297 -3.257 -12.218 172 2HD2 ASN 3 1HD2 ASN 3 13.148 -4.323 -13.227 173 H GLN 4 H GLN 4 9.242 -1.641 -10.512 174 HA GLN 4 HA GLN 4 11.624 -0.028 -9.786 175 1HB GLN 4 1HB GLN 4 10.305 -0.029 -12.404 176 2HB GLN 4 2HB GLN 4 10.371 1.573 -11.671 177 1HG GLN 4 1HG GLN 4 12.817 -0.179 -11.671 178 2HG GLN 4 2HG GLN 4 12.400 0.754 -13.109 179 1HE2 GLN 4 2HE2 GLN 4 11.409 3.131 -12.001 180 2HE2 GLN 4 1HE2 GLN 4 12.630 3.898 -11.107 181 H HIS 5 H HIS 5 10.986 2.169 -9.070 182 HA HIS 5 HA HIS 5 8.775 2.134 -7.283 183 1HB HIS 5 1HB HIS 5 9.935 4.669 -8.446 184 2HB HIS 5 2HB HIS 5 9.288 4.407 -6.827 185 HD1 HIS 5 HD1 HIS 5 10.843 3.374 -5.073 186 HD2 HIS 5 HD2 HIS 5 12.576 3.591 -8.858 187 HE1 HIS 5 HE1 HIS 5 13.300 2.848 -4.767 188 H LEU 6 H LEU 6 6.722 1.810 -8.130 189 HA LEU 6 HA LEU 6 5.919 3.087 -10.645 190 1HB LEU 6 1HB LEU 6 4.520 1.343 -8.625 191 2HB LEU 6 2HB LEU 6 3.619 2.149 -9.907 192 HG LEU 6 HG LEU 6 5.945 0.948 -11.037 193 1HD1 LEU 6 1HD1 LEU 6 4.568 -0.620 -8.944 194 2HD1 LEU 6 2HD1 LEU 6 4.790 -1.456 -10.480 195 3HD1 LEU 6 3HD1 LEU 6 6.187 -0.818 -9.614 196 1HD2 LEU 6 1HD2 LEU 6 3.641 1.526 -12.025 197 2HD2 LEU 6 2HD2 LEU 6 4.352 -0.007 -12.528 198 3HD2 LEU 6 3HD2 LEU 6 3.081 0.016 -11.304 199 H CYS 7 H CYS 7 6.418 5.304 -9.760 200 HA CYS 7 HA CYS 7 4.290 6.321 -7.938 201 1HB CYS 7 1HB CYS 7 6.932 6.744 -7.750 202 2HB CYS 7 2HB CYS 7 6.533 8.065 -8.847 203 H GLY 8 H GLY 8 2.665 7.545 -8.789 204 1HA GLY 8 1HA GLY 8 2.059 9.448 -10.294 205 2HA GLY 8 2HA GLY 8 3.090 8.701 -11.517 206 H SER 9 H SER 9 1.463 8.365 -13.066 207 HA SER 9 HA SER 9 -1.040 7.037 -12.341 208 1HB SER 9 1HB SER 9 -1.077 6.873 -14.999 209 2HB SER 9 2HB SER 9 -1.396 8.399 -14.178 210 HG SER 9 HG SER 9 0.196 9.017 -15.440 211 H GLU 10 H GLU 10 2.142 6.031 -13.147 212 HA GLU 10 HA GLU 10 1.555 3.546 -14.441 213 1HB GLU 10 1HB GLU 10 3.820 2.854 -13.619 214 2HB GLU 10 2HB GLU 10 3.825 4.414 -14.441 215 1HG GLU 10 1HG GLU 10 3.348 5.247 -11.916 216 2HG GLU 10 2HG GLU 10 4.279 3.786 -11.574 217 H LEU 11 H LEU 11 1.213 4.598 -11.167 218 HA LEU 11 HA LEU 11 1.220 1.895 -10.040 219 1HB LEU 11 1HB LEU 11 1.830 4.055 -8.788 220 2HB LEU 11 2HB LEU 11 0.098 4.378 -8.732 221 HG LEU 11 HG LEU 11 0.973 3.188 -6.694 222 1HD1 LEU 11 1HD1 LEU 11 -1.385 2.841 -8.051 223 2HD1 LEU 11 2HD1 LEU 11 -0.815 1.178 -7.904 224 3HD1 LEU 11 3HD1 LEU 11 -1.044 2.164 -6.460 225 1HD2 LEU 11 1HD2 LEU 11 2.435 1.726 -8.466 226 2HD2 LEU 11 2HD2 LEU 11 2.060 1.180 -6.832 227 3HD2 LEU 11 3HD2 LEU 11 1.080 0.631 -8.192 228 H VAL 12 H VAL 12 -1.232 4.365 -10.815 229 HA VAL 12 HA VAL 12 -3.478 2.814 -9.964 230 HB VAL 12 HB VAL 12 -3.315 5.345 -10.598 231 1HG1 VAL 12 1HG1 VAL 12 -2.653 4.551 -13.027 232 2HG1 VAL 12 2HG1 VAL 12 -4.397 4.407 -13.233 233 3HG1 VAL 12 3HG1 VAL 12 -3.684 5.963 -12.807 234 1HG2 VAL 12 1HG2 VAL 12 -5.616 3.480 -11.178 235 2HG2 VAL 12 2HG2 VAL 12 -5.372 4.515 -9.772 236 3HG2 VAL 12 3HG2 VAL 12 -5.794 5.229 -11.328 237 H GLU 13 H GLU 13 -1.713 2.958 -13.033 238 HA GLU 13 HA GLU 13 -3.567 1.422 -14.578 239 1HB GLU 13 1HB GLU 13 -1.027 2.577 -14.989 240 2HB GLU 13 2HB GLU 13 -0.818 0.853 -15.297 241 1HG GLU 13 1HG GLU 13 -3.222 1.373 -16.536 242 2HG GLU 13 2HG GLU 13 -2.317 2.856 -16.840 243 H ALA 14 H ALA 14 -1.107 0.548 -12.237 244 HA ALA 14 HA ALA 14 -1.398 -2.330 -12.856 245 1HB ALA 14 1HB ALA 14 0.769 -0.997 -12.031 246 2HB ALA 14 2HB ALA 14 0.081 -1.357 -10.447 247 3HB ALA 14 3HB ALA 14 0.481 -2.671 -11.551 248 H LEU 15 H LEU 15 -2.702 0.064 -10.755 249 HA LEU 15 HA LEU 15 -3.557 -1.760 -8.654 250 1HB LEU 15 1HB LEU 15 -3.817 1.114 -9.270 251 2HB LEU 15 2HB LEU 15 -5.216 0.423 -8.450 252 HG LEU 15 HG LEU 15 -2.360 0.065 -7.505 253 1HD1 LEU 15 1HD1 LEU 15 -3.095 2.440 -7.385 254 2HD1 LEU 15 2HD1 LEU 15 -4.500 1.935 -6.446 255 3HD1 LEU 15 3HD1 LEU 15 -2.878 1.725 -5.787 256 1HD2 LEU 15 1HD2 LEU 15 -4.160 -1.645 -6.889 257 2HD2 LEU 15 2HD2 LEU 15 -3.346 -0.869 -5.530 258 3HD2 LEU 15 3HD2 LEU 15 -4.960 -0.343 -6.007 259 H GLU 16 H GLU 16 -4.858 -0.567 -11.682 260 HA GLU 16 HA GLU 16 -7.533 -1.674 -11.155 261 1HB GLU 16 1HB GLU 16 -8.000 -0.959 -13.490 262 2HB GLU 16 2HB GLU 16 -7.326 0.356 -12.527 263 1HG GLU 16 1HG GLU 16 -5.723 0.579 -14.090 264 2HG GLU 16 2HG GLU 16 -5.101 -0.993 -13.588 265 H LEU 17 H LEU 17 -4.562 -2.947 -12.021 266 HA LEU 17 HA LEU 17 -5.695 -5.023 -13.810 267 1HB LEU 17 1HB LEU 17 -2.985 -4.001 -13.183 268 2HB LEU 17 2HB LEU 17 -3.091 -5.740 -13.455 269 HG LEU 17 HG LEU 17 -4.601 -4.089 -15.385 270 1HD1 LEU 17 1HD1 LEU 17 -1.872 -3.425 -14.743 271 2HD1 LEU 17 2HD1 LEU 17 -1.942 -4.110 -16.366 272 3HD1 LEU 17 3HD1 LEU 17 -2.924 -2.703 -15.960 273 1HD2 LEU 17 1HD2 LEU 17 -3.454 -6.689 -15.160 274 2HD2 LEU 17 2HD2 LEU 17 -4.417 -6.045 -16.489 275 3HD2 LEU 17 3HD2 LEU 17 -2.662 -5.880 -16.512 276 H VAL 18 H VAL 18 -4.931 -4.482 -10.514 277 HA VAL 18 HA VAL 18 -4.613 -7.347 -9.898 278 HB VAL 18 HB VAL 18 -5.097 -5.906 -7.503 279 1HG1 VAL 18 1HG1 VAL 18 -3.134 -7.596 -8.721 280 2HG1 VAL 18 2HG1 VAL 18 -2.306 -6.247 -7.943 281 3HG1 VAL 18 3HG1 VAL 18 -3.389 -7.275 -7.006 282 1HG2 VAL 18 1HG2 VAL 18 -4.673 -3.831 -8.808 283 2HG2 VAL 18 2HG2 VAL 18 -3.411 -4.128 -7.613 284 3HG2 VAL 18 3HG2 VAL 18 -3.118 -4.493 -9.311 285 H CYS 19 H CYS 19 -6.946 -4.803 -8.883 286 HA CYS 19 HA CYS 19 -8.830 -6.683 -7.828 287 1HB CYS 19 1HB CYS 19 -8.744 -4.157 -7.411 288 2HB CYS 19 2HB CYS 19 -9.551 -3.981 -8.969 289 H GLY 20 H GLY 20 -9.304 -4.676 -10.765 290 1HA GLY 20 1HA GLY 20 -9.595 -6.327 -12.824 291 2HA GLY 20 2HA GLY 20 -10.969 -6.877 -11.867 292 H GLU 21 H GLU 21 -12.756 -6.080 -12.883 293 HA GLU 21 HA GLU 21 -12.682 -3.266 -13.859 294 1HB GLU 21 1HB GLU 21 -14.601 -3.839 -15.219 295 2HB GLU 21 2HB GLU 21 -13.393 -5.105 -15.432 296 1HG GLU 21 1HG GLU 21 -15.045 -5.753 -13.168 297 2HG GLU 21 2HG GLU 21 -16.073 -5.412 -14.560 298 H ARG 22 H ARG 22 -12.939 -3.987 -11.017 299 HA ARG 22 HA ARG 22 -15.761 -3.190 -10.470 300 1HB ARG 22 1HB ARG 22 -13.616 -4.285 -8.622 301 2HB ARG 22 2HB ARG 22 -15.258 -3.870 -8.132 302 1HG ARG 22 1HG ARG 22 -16.104 -5.786 -8.981 303 2HG ARG 22 2HG ARG 22 -15.198 -5.608 -10.484 304 1HD ARG 22 1HD ARG 22 -13.997 -7.383 -9.731 305 2HD ARG 22 2HD ARG 22 -13.199 -6.196 -8.699 306 HE ARG 22 HE ARG 22 -15.431 -6.944 -7.240 307 1HH1 ARG 22 1HH1 ARG 22 -12.816 -8.566 -8.809 308 2HH1 ARG 22 2HH1 ARG 22 -12.791 -9.883 -7.687 309 1HH2 ARG 22 1HH2 ARG 22 -15.407 -8.656 -5.771 310 2HH2 ARG 22 2HH2 ARG 22 -14.254 -9.934 -5.967 311 H GLY 23 H GLY 23 -12.427 -2.406 -9.409 312 1HA GLY 23 1HA GLY 23 -11.885 0.073 -9.604 313 2HA GLY 23 2HA GLY 23 -13.424 0.347 -8.786 314 H PHE 24 H PHE 24 -10.495 0.871 -8.033 315 HA PHE 24 HA PHE 24 -10.589 -0.502 -5.376 316 1HB PHE 24 1HB PHE 24 -8.037 0.029 -5.427 317 2HB PHE 24 2HB PHE 24 -8.630 -1.328 -6.390 318 HD1 PHE 24 HD1 PHE 24 -9.066 -1.007 -8.847 319 HD2 PHE 24 HD2 PHE 24 -7.065 1.948 -6.458 320 HE1 PHE 24 HE1 PHE 24 -8.192 0.063 -10.905 321 HE2 PHE 24 HE2 PHE 24 -6.188 3.019 -8.519 322 HZ PHE 24 HZ PHE 24 -6.753 2.074 -10.742 323 H PHE 25 H PHE 25 -9.169 0.917 -3.744 324 HA PHE 25 HA PHE 25 -10.309 3.657 -3.914 325 1HB PHE 25 1HB PHE 25 -10.274 1.865 -1.843 326 2HB PHE 25 2HB PHE 25 -8.873 2.865 -1.459 327 HD1 PHE 25 HD1 PHE 25 -12.509 2.990 -2.265 328 HD2 PHE 25 HD2 PHE 25 -9.130 5.074 -0.627 329 HE1 PHE 25 HE1 PHE 25 -14.013 4.781 -1.441 330 HE2 PHE 25 HE2 PHE 25 -10.634 6.866 0.197 331 HZ PHE 25 HZ PHE 25 -13.075 6.720 -0.210 332 H TYR 26 H TYR 26 -8.817 4.724 -5.251 333 HA TYR 26 HA TYR 26 -6.351 5.574 -3.960 334 1HB TYR 26 1HB TYR 26 -5.730 3.345 -4.969 335 2HB TYR 26 2HB TYR 26 -6.094 4.028 -6.554 336 HD1 TYR 26 HD1 TYR 26 -4.345 5.312 -3.486 337 HD2 TYR 26 HD2 TYR 26 -4.160 4.589 -7.717 338 HE1 TYR 26 HE1 TYR 26 -2.091 6.344 -3.564 339 HE2 TYR 26 HE2 TYR 26 -1.907 5.621 -7.793 340 HH TYR 26 HH TYR 26 -0.692 7.504 -6.096 341 H GLU 27 H GLU 27 -8.880 6.571 -5.307 342 HA GLU 27 HA GLU 27 -7.792 8.086 -7.592 343 1HB GLU 27 1HB GLU 27 -10.512 7.557 -6.496 344 2HB GLU 27 2HB GLU 27 -10.265 9.024 -7.443 345 1HG GLU 27 1HG GLU 27 -8.964 7.201 -8.996 346 2HG GLU 27 2HG GLU 27 -10.242 6.195 -8.312 347 HA PRO 28 HA PRO 28 -9.074 11.590 -4.477 348 1HB PRO 28 1HB PRO 28 -8.582 10.784 -1.818 349 2HB PRO 28 2HB PRO 28 -10.166 11.061 -2.558 350 1HG PRO 28 1HG PRO 28 -8.907 8.538 -1.829 351 2HG PRO 28 2HG PRO 28 -10.578 8.835 -2.335 352 1HD PRO 28 1HD PRO 28 -8.497 7.627 -3.857 353 2HD PRO 28 2HD PRO 28 -10.125 8.044 -4.423 354 H LYS 29 H LYS 29 -7.313 12.896 -4.651 355 HA LYS 29 HA LYS 29 -4.895 12.230 -3.102 356 1HB LYS 29 1HB LYS 29 -3.699 12.957 -5.448 357 2HB LYS 29 2HB LYS 29 -3.939 11.284 -4.945 358 1HG LYS 29 1HG LYS 29 -5.815 10.999 -6.337 359 2HG LYS 29 2HG LYS 29 -6.105 12.735 -6.455 360 1HD LYS 29 1HD LYS 29 -4.090 13.020 -7.810 361 2HD LYS 29 2HD LYS 29 -3.704 11.308 -7.635 362 1HE LYS 29 1HE LYS 29 -4.858 11.036 -9.567 363 2HE LYS 29 2HE LYS 29 -6.297 11.227 -8.566 364 1HZ LYS 29 1HZ LYS 29 -6.022 13.685 -8.945 365 2HZ LYS 29 2HZ LYS 29 -4.887 13.294 -10.149 366 3HZ LYS 29 3HZ LYS 29 -6.500 12.779 -10.296 Start of MODEL 9 1 1H GLY 1 1H GLY 1 2.759 1.304 2.614 2 2H GLY 1 2H GLY 1 2.096 1.391 4.175 3 3H GLY 1 3H GLY 1 1.910 -0.021 3.255 4 1HA GLY 1 1HA GLY 1 -0.150 1.091 3.142 5 2HA GLY 1 2HA GLY 1 0.653 2.624 2.799 6 H ILE 2 H ILE 2 -0.372 2.928 0.776 7 HA ILE 2 HA ILE 2 0.145 0.849 -1.297 8 HB ILE 2 HB ILE 2 -2.175 1.507 -1.172 9 1HG1 ILE 2 1HG1 ILE 2 -0.842 2.953 -3.485 10 2HG1 ILE 2 2HG1 ILE 2 -1.212 1.229 -3.445 11 1HG2 ILE 2 1HG2 ILE 2 -1.086 4.328 -1.353 12 2HG2 ILE 2 2HG2 ILE 2 -2.795 3.920 -1.509 13 3HG2 ILE 2 3HG2 ILE 2 -1.949 3.610 0.006 14 1HD1 ILE 2 1HD1 ILE 2 -3.459 3.071 -2.819 15 2HD1 ILE 2 2HD1 ILE 2 -2.902 3.055 -4.493 16 3HD1 ILE 2 3HD1 ILE 2 -3.460 1.563 -3.736 17 H VAL 3 H VAL 3 0.626 4.283 -0.561 18 HA VAL 3 HA VAL 3 2.176 4.661 -3.048 19 HB VAL 3 HB VAL 3 1.300 6.480 -0.797 20 1HG1 VAL 3 1HG1 VAL 3 3.668 6.758 -2.416 21 2HG1 VAL 3 2HG1 VAL 3 2.508 8.011 -2.853 22 3HG1 VAL 3 3HG1 VAL 3 3.043 7.847 -1.181 23 1HG2 VAL 3 1HG2 VAL 3 0.690 6.129 -3.721 24 2HG2 VAL 3 2HG2 VAL 3 -0.427 6.278 -2.364 25 3HG2 VAL 3 3HG2 VAL 3 0.438 7.697 -2.955 26 H GLU 4 H GLU 4 2.681 4.150 0.379 27 HA GLU 4 HA GLU 4 5.527 4.850 0.251 28 1HB GLU 4 1HB GLU 4 4.284 3.244 2.462 29 2HB GLU 4 2HB GLU 4 5.566 4.451 2.552 30 1HG GLU 4 1HG GLU 4 3.710 6.088 1.696 31 2HG GLU 4 2HG GLU 4 2.605 4.861 2.313 32 H GLN 5 H GLN 5 3.660 2.172 -0.632 33 HA GLN 5 HA GLN 5 5.964 0.316 -0.234 34 1HB GLN 5 1HB GLN 5 3.788 -0.397 0.731 35 2HB GLN 5 2HB GLN 5 3.074 -0.334 -0.881 36 1HG GLN 5 1HG GLN 5 3.977 -2.321 -1.467 37 2HG GLN 5 2HG GLN 5 5.556 -1.882 -0.815 38 1HE2 GLN 5 2HE2 GLN 5 2.350 -2.242 0.805 39 2HE2 GLN 5 1HE2 GLN 5 2.891 -3.376 1.945 40 H CYS 6 H CYS 6 4.020 1.911 -2.662 41 HA CYS 6 HA CYS 6 5.446 0.314 -4.756 42 1HB CYS 6 1HB CYS 6 2.751 1.663 -4.735 43 2HB CYS 6 2HB CYS 6 3.567 1.290 -6.254 44 H CYS 7 H CYS 7 4.525 3.580 -3.731 45 HA CYS 7 HA CYS 7 5.997 4.792 -5.967 46 1HB CYS 7 1HB CYS 7 4.174 5.711 -3.855 47 2HB CYS 7 2HB CYS 7 5.466 6.842 -4.246 48 H HIS 8 H HIS 8 6.475 4.184 -2.518 49 HA HIS 8 HA HIS 8 8.922 5.776 -2.400 50 1HB HIS 8 1HB HIS 8 7.618 3.802 -0.520 51 2HB HIS 8 2HB HIS 8 9.188 4.528 -0.176 52 HD1 HIS 8 HD1 HIS 8 7.447 5.457 1.873 53 HD2 HIS 8 HD2 HIS 8 7.212 7.212 -1.900 54 HE1 HIS 8 HE1 HIS 8 6.309 7.697 2.195 55 H SER 9 H SER 9 8.284 2.996 -3.997 56 HA SER 9 HA SER 9 11.015 2.323 -4.423 57 1HB SER 9 1HB SER 9 10.555 -0.075 -3.233 58 2HB SER 9 2HB SER 9 11.397 1.254 -2.441 59 HG SER 9 HG SER 9 8.989 0.144 -1.885 60 H ILE 10 H ILE 10 10.857 -0.362 -5.057 61 HA ILE 10 HA ILE 10 8.807 -0.307 -7.213 62 HB ILE 10 HB ILE 10 11.204 -2.132 -6.856 63 1HG1 ILE 10 1HG1 ILE 10 11.467 -0.390 -9.087 64 2HG1 ILE 10 2HG1 ILE 10 11.004 0.610 -7.709 65 1HG2 ILE 10 1HG2 ILE 10 9.042 -2.692 -8.328 66 2HG2 ILE 10 2HG2 ILE 10 9.857 -1.627 -9.473 67 3HG2 ILE 10 3HG2 ILE 10 10.668 -3.080 -8.888 68 1HD1 ILE 10 1HD1 ILE 10 13.081 -1.471 -7.228 69 2HD1 ILE 10 2HD1 ILE 10 13.560 -0.065 -8.181 70 3HD1 ILE 10 3HD1 ILE 10 12.933 0.149 -6.546 71 H CYS 11 H CYS 11 6.941 -1.350 -6.693 72 HA CYS 11 HA CYS 11 7.110 -3.709 -4.874 73 1HB CYS 11 1HB CYS 11 4.719 -3.363 -4.473 74 2HB CYS 11 2HB CYS 11 5.593 -1.861 -4.184 75 H SER 12 H SER 12 4.497 -4.711 -5.737 76 HA SER 12 HA SER 12 5.033 -5.482 -8.560 77 1HB SER 12 1HB SER 12 4.338 -7.876 -7.780 78 2HB SER 12 2HB SER 12 5.994 -7.342 -7.504 79 HG SER 12 HG SER 12 4.187 -8.109 -5.722 80 H LEU 13 H LEU 13 2.729 -7.273 -6.674 81 HA LEU 13 HA LEU 13 0.502 -5.483 -7.434 82 1HB LEU 13 1HB LEU 13 1.032 -8.182 -8.635 83 2HB LEU 13 2HB LEU 13 -0.637 -7.682 -8.359 84 HG LEU 13 HG LEU 13 1.277 -5.813 -9.731 85 1HD1 LEU 13 1HD1 LEU 13 0.138 -8.347 -10.779 86 2HD1 LEU 13 2HD1 LEU 13 -0.025 -6.935 -11.824 87 3HD1 LEU 13 3HD1 LEU 13 1.574 -7.459 -11.294 88 1HD2 LEU 13 1HD2 LEU 13 -1.259 -5.474 -8.883 89 2HD2 LEU 13 2HD2 LEU 13 -0.637 -4.687 -10.334 90 3HD2 LEU 13 3HD2 LEU 13 -1.586 -6.165 -10.473 91 H TYR 14 H TYR 14 1.532 -8.550 -5.960 92 HA TYR 14 HA TYR 14 -0.733 -9.283 -4.532 93 1HB TYR 14 1HB TYR 14 2.191 -9.355 -3.803 94 2HB TYR 14 2HB TYR 14 0.971 -9.934 -2.671 95 HD1 TYR 14 HD1 TYR 14 0.059 -10.247 -6.150 96 HD2 TYR 14 HD2 TYR 14 2.162 -12.183 -2.942 97 HE1 TYR 14 HE1 TYR 14 -0.058 -12.402 -7.372 98 HE2 TYR 14 HE2 TYR 14 2.043 -14.337 -4.164 99 HH TYR 14 HH TYR 14 1.400 -14.607 -7.351 100 H GLN 15 H GLN 15 1.494 -6.627 -3.823 101 HA GLN 15 HA GLN 15 0.281 -5.989 -1.261 102 1HB GLN 15 1HB GLN 15 1.803 -4.014 -2.950 103 2HB GLN 15 2HB GLN 15 1.768 -4.170 -1.194 104 1HG GLN 15 1HG GLN 15 2.695 -6.652 -2.107 105 2HG GLN 15 2HG GLN 15 3.527 -5.464 -3.111 106 1HE2 GLN 15 2HE2 GLN 15 2.911 -6.360 0.302 107 2HE2 GLN 15 1HE2 GLN 15 4.279 -5.568 0.921 108 H LEU 16 H LEU 16 -0.101 -4.808 -4.589 109 HA LEU 16 HA LEU 16 -2.089 -2.810 -3.759 110 1HB LEU 16 1HB LEU 16 -1.384 -3.735 -6.557 111 2HB LEU 16 2HB LEU 16 -2.211 -2.243 -6.109 112 HG LEU 16 HG LEU 16 0.507 -2.830 -4.974 113 1HD1 LEU 16 1HD1 LEU 16 0.514 -3.108 -7.514 114 2HD1 LEU 16 2HD1 LEU 16 0.069 -1.405 -7.606 115 3HD1 LEU 16 3HD1 LEU 16 1.601 -1.877 -6.872 116 1HD2 LEU 16 1HD2 LEU 16 -1.335 -0.522 -5.321 117 2HD2 LEU 16 2HD2 LEU 16 -0.218 -0.880 -4.005 118 3HD2 LEU 16 3HD2 LEU 16 0.384 -0.177 -5.507 119 H GLU 17 H GLU 17 -2.269 -6.029 -3.823 120 HA GLU 17 HA GLU 17 -4.779 -6.311 -5.342 121 1HB GLU 17 1HB GLU 17 -2.720 -8.063 -4.530 122 2HB GLU 17 2HB GLU 17 -4.158 -8.567 -3.641 123 1HG GLU 17 1HG GLU 17 -4.784 -7.914 -6.410 124 2HG GLU 17 2HG GLU 17 -3.564 -9.184 -6.300 125 H ASN 18 H ASN 18 -3.787 -5.598 -2.118 126 HA ASN 18 HA ASN 18 -6.337 -6.474 -0.926 127 1HB ASN 18 1HB ASN 18 -4.582 -4.693 0.652 128 2HB ASN 18 2HB ASN 18 -5.302 -6.240 1.092 129 1HD2 ASN 18 2HD2 ASN 18 -2.412 -5.238 1.314 130 2HD2 ASN 18 1HD2 ASN 18 -1.495 -6.433 0.530 131 H TYR 19 H TYR 19 -5.146 -3.738 -2.552 132 HA TYR 19 HA TYR 19 -6.907 -1.827 -1.166 133 1HB TYR 19 1HB TYR 19 -5.342 -1.388 -3.719 134 2HB TYR 19 2HB TYR 19 -5.943 -0.165 -2.601 135 HD1 TYR 19 HD1 TYR 19 -5.228 -1.933 -0.091 136 HD2 TYR 19 HD2 TYR 19 -3.018 -0.599 -3.523 137 HE1 TYR 19 HE1 TYR 19 -3.122 -2.081 1.210 138 HE2 TYR 19 HE2 TYR 19 -0.910 -0.748 -2.224 139 HH TYR 19 HH TYR 19 -0.700 -2.351 0.755 140 H CYS 20 H CYS 20 -7.797 -4.260 -2.902 141 HA CYS 20 HA CYS 20 -9.401 -2.820 -4.942 142 1HB CYS 20 1HB CYS 20 -8.383 -4.831 -5.769 143 2HB CYS 20 2HB CYS 20 -8.932 -5.757 -4.373 144 H ASN 21 H ASN 21 -11.460 -2.222 -4.472 145 HA ASN 21 HA ASN 21 -12.678 -2.807 -1.939 146 1HB ASN 21 1HB ASN 21 -14.587 -1.601 -2.772 147 2HB ASN 21 2HB ASN 21 -13.153 -0.799 -3.418 148 1HD2 ASN 21 2HD2 ASN 21 -13.370 -0.315 -5.587 149 2HD2 ASN 21 1HD2 ASN 21 -14.240 -1.235 -6.719 150 1H GLU 1 1H GLU 1 13.950 -8.279 -16.210 151 2H GLU 1 2H GLU 1 15.302 -7.804 -17.122 152 3H GLU 1 3H GLU 1 15.440 -9.067 -15.999 153 HA GLU 1 HA GLU 1 15.340 -7.661 -14.175 154 1HB GLU 1 1HB GLU 1 17.113 -7.020 -16.354 155 2HB GLU 1 2HB GLU 1 16.712 -5.547 -15.471 156 1HG GLU 1 1HG GLU 1 18.371 -6.225 -14.065 157 2HG GLU 1 2HG GLU 1 17.123 -7.282 -13.406 158 H VAL 2 H VAL 2 12.826 -7.240 -14.744 159 HA VAL 2 HA VAL 2 12.425 -4.388 -15.471 160 HB VAL 2 HB VAL 2 10.433 -6.621 -14.963 161 1HG1 VAL 2 1HG1 VAL 2 9.612 -4.307 -14.410 162 2HG1 VAL 2 2HG1 VAL 2 9.963 -3.839 -16.074 163 3HG1 VAL 2 3HG1 VAL 2 8.742 -5.067 -15.742 164 1HG2 VAL 2 1HG2 VAL 2 11.877 -5.593 -17.336 165 2HG2 VAL 2 2HG2 VAL 2 11.168 -7.183 -17.053 166 3HG2 VAL 2 3HG2 VAL 2 10.146 -5.839 -17.561 167 H ASN 3 H ASN 3 12.378 -2.923 -13.847 168 HA ASN 3 HA ASN 3 10.828 -3.313 -11.446 169 1HB ASN 3 1HB ASN 3 12.650 -3.352 -9.813 170 2HB ASN 3 2HB ASN 3 12.797 -4.740 -10.892 171 1HD2 ASN 3 2HD2 ASN 3 14.231 -4.180 -12.960 172 2HD2 ASN 3 1HD2 ASN 3 15.653 -3.311 -12.638 173 H GLN 4 H GLN 4 10.042 -1.263 -11.317 174 HA GLN 4 HA GLN 4 11.970 0.975 -11.156 175 1HB GLN 4 1HB GLN 4 10.655 0.419 -13.561 176 2HB GLN 4 2HB GLN 4 9.710 1.720 -12.835 177 1HG GLN 4 1HG GLN 4 12.469 2.332 -12.442 178 2HG GLN 4 2HG GLN 4 12.250 1.900 -14.138 179 1HE2 GLN 4 2HE2 GLN 4 10.285 3.721 -11.705 180 2HE2 GLN 4 1HE2 GLN 4 9.977 5.037 -12.731 181 H HIS 5 H HIS 5 11.166 2.704 -9.918 182 HA HIS 5 HA HIS 5 9.113 2.140 -8.027 183 1HB HIS 5 1HB HIS 5 10.277 4.799 -8.912 184 2HB HIS 5 2HB HIS 5 9.252 4.581 -7.493 185 HD1 HIS 5 HD1 HIS 5 10.860 4.836 -5.581 186 HD2 HIS 5 HD2 HIS 5 12.331 2.268 -8.518 187 HE1 HIS 5 HE1 HIS 5 12.998 3.842 -4.658 188 H LEU 6 H LEU 6 6.945 2.056 -8.401 189 HA LEU 6 HA LEU 6 5.841 3.244 -10.846 190 1HB LEU 6 1HB LEU 6 4.833 1.425 -8.697 191 2HB LEU 6 2HB LEU 6 3.647 2.342 -9.627 192 HG LEU 6 HG LEU 6 4.651 1.474 -11.727 193 1HD1 LEU 6 1HD1 LEU 6 6.502 0.204 -9.737 194 2HD1 LEU 6 2HD1 LEU 6 6.146 -0.651 -11.239 195 3HD1 LEU 6 3HD1 LEU 6 6.876 0.954 -11.289 196 1HD2 LEU 6 1HD2 LEU 6 3.489 -0.291 -9.614 197 2HD2 LEU 6 2HD2 LEU 6 2.836 0.146 -11.193 198 3HD2 LEU 6 3HD2 LEU 6 4.109 -1.069 -11.070 199 H CYS 7 H CYS 7 5.821 5.493 -10.617 200 HA CYS 7 HA CYS 7 3.900 6.536 -8.617 201 1HB CYS 7 1HB CYS 7 6.589 6.673 -8.068 202 2HB CYS 7 2HB CYS 7 6.306 8.217 -8.874 203 H GLY 8 H GLY 8 2.789 8.343 -9.371 204 1HA GLY 8 1HA GLY 8 2.678 10.336 -10.825 205 2HA GLY 8 2HA GLY 8 3.673 9.469 -11.996 206 H SER 9 H SER 9 2.131 6.956 -11.532 207 HA SER 9 HA SER 9 -0.597 7.055 -11.943 208 1HB SER 9 1HB SER 9 -0.827 8.334 -13.812 209 2HB SER 9 2HB SER 9 0.875 8.179 -14.233 210 HG SER 9 HG SER 9 0.214 6.807 -15.672 211 H GLU 10 H GLU 10 2.387 5.796 -13.386 212 HA GLU 10 HA GLU 10 1.586 3.370 -14.435 213 1HB GLU 10 1HB GLU 10 3.786 2.449 -13.501 214 2HB GLU 10 2HB GLU 10 3.909 3.897 -14.500 215 1HG GLU 10 1HG GLU 10 3.667 5.168 -12.220 216 2HG GLU 10 2HG GLU 10 4.171 3.632 -11.519 217 H LEU 11 H LEU 11 1.502 4.317 -11.071 218 HA LEU 11 HA LEU 11 1.191 1.591 -10.075 219 1HB LEU 11 1HB LEU 11 2.131 3.186 -8.548 220 2HB LEU 11 2HB LEU 11 0.797 4.311 -8.807 221 HG LEU 11 HG LEU 11 -0.767 2.631 -7.838 222 1HD1 LEU 11 1HD1 LEU 11 1.218 0.825 -8.370 223 2HD1 LEU 11 2HD1 LEU 11 1.442 1.077 -6.639 224 3HD1 LEU 11 3HD1 LEU 11 -0.117 0.529 -7.254 225 1HD2 LEU 11 1HD2 LEU 11 0.653 4.410 -6.505 226 2HD2 LEU 11 2HD2 LEU 11 -0.285 3.202 -5.628 227 3HD2 LEU 11 3HD2 LEU 11 1.452 2.984 -5.843 228 H VAL 12 H VAL 12 -1.012 4.372 -10.563 229 HA VAL 12 HA VAL 12 -3.364 3.040 -9.670 230 HB VAL 12 HB VAL 12 -3.001 5.551 -10.229 231 1HG1 VAL 12 1HG1 VAL 12 -3.832 4.450 -12.929 232 2HG1 VAL 12 2HG1 VAL 12 -3.865 6.157 -12.494 233 3HG1 VAL 12 3HG1 VAL 12 -2.330 5.293 -12.559 234 1HG2 VAL 12 1HG2 VAL 12 -5.128 4.466 -9.455 235 2HG2 VAL 12 2HG2 VAL 12 -5.396 5.843 -10.527 236 3HG2 VAL 12 3HG2 VAL 12 -5.556 4.198 -11.146 237 H GLU 13 H GLU 13 -1.925 3.258 -12.930 238 HA GLU 13 HA GLU 13 -4.006 1.841 -14.279 239 1HB GLU 13 1HB GLU 13 -2.429 1.532 -16.070 240 2HB GLU 13 2HB GLU 13 -2.093 3.114 -15.366 241 1HG GLU 13 1HG GLU 13 -0.342 1.994 -13.923 242 2HG GLU 13 2HG GLU 13 -0.582 0.535 -14.885 243 H ALA 14 H ALA 14 -1.283 0.778 -12.333 244 HA ALA 14 HA ALA 14 -1.746 -2.055 -13.034 245 1HB ALA 14 1HB ALA 14 0.362 -0.505 -11.685 246 2HB ALA 14 2HB ALA 14 0.002 -2.041 -10.896 247 3HB ALA 14 3HB ALA 14 0.483 -2.013 -12.592 248 H LEU 15 H LEU 15 -2.928 0.245 -10.843 249 HA LEU 15 HA LEU 15 -3.537 -1.649 -8.684 250 1HB LEU 15 1HB LEU 15 -3.697 1.256 -9.124 251 2HB LEU 15 2HB LEU 15 -5.062 0.602 -8.219 252 HG LEU 15 HG LEU 15 -2.200 -0.076 -7.526 253 1HD1 LEU 15 1HD1 LEU 15 -3.224 2.477 -7.394 254 2HD1 LEU 15 2HD1 LEU 15 -3.616 1.839 -5.797 255 3HD1 LEU 15 3HD1 LEU 15 -1.943 1.852 -6.355 256 1HD2 LEU 15 1HD2 LEU 15 -4.055 -1.533 -6.688 257 2HD2 LEU 15 2HD2 LEU 15 -3.192 -0.713 -5.386 258 3HD2 LEU 15 3HD2 LEU 15 -4.769 -0.121 -5.910 259 H GLU 16 H GLU 16 -5.097 -0.318 -11.519 260 HA GLU 16 HA GLU 16 -7.781 -1.142 -10.699 261 1HB GLU 16 1HB GLU 16 -8.402 -0.511 -13.020 262 2HB GLU 16 2HB GLU 16 -7.491 0.767 -12.215 263 1HG GLU 16 1HG GLU 16 -5.798 0.622 -13.701 264 2HG GLU 16 2HG GLU 16 -5.736 -1.135 -13.559 265 H LEU 17 H LEU 17 -5.067 -2.756 -11.928 266 HA LEU 17 HA LEU 17 -6.583 -4.749 -13.470 267 1HB LEU 17 1HB LEU 17 -3.862 -3.944 -13.294 268 2HB LEU 17 2HB LEU 17 -3.932 -5.636 -12.803 269 HG LEU 17 HG LEU 17 -4.960 -4.430 -15.382 270 1HD1 LEU 17 1HD1 LEU 17 -2.828 -6.457 -14.667 271 2HD1 LEU 17 2HD1 LEU 17 -3.427 -6.236 -16.311 272 3HD1 LEU 17 3HD1 LEU 17 -2.610 -4.910 -15.484 273 1HD2 LEU 17 1HD2 LEU 17 -5.596 -6.998 -13.985 274 2HD2 LEU 17 2HD2 LEU 17 -6.625 -5.995 -15.005 275 3HD2 LEU 17 3HD2 LEU 17 -5.406 -7.037 -15.738 276 H VAL 18 H VAL 18 -4.432 -4.984 -10.609 277 HA VAL 18 HA VAL 18 -5.037 -7.534 -9.766 278 HB VAL 18 HB VAL 18 -5.024 -6.252 -7.371 279 1HG1 VAL 18 1HG1 VAL 18 -2.752 -6.930 -9.234 280 2HG1 VAL 18 2HG1 VAL 18 -2.486 -6.438 -7.562 281 3HG1 VAL 18 3HG1 VAL 18 -3.398 -7.906 -7.914 282 1HG2 VAL 18 1HG2 VAL 18 -4.959 -4.080 -8.878 283 2HG2 VAL 18 2HG2 VAL 18 -3.981 -4.182 -7.414 284 3HG2 VAL 18 3HG2 VAL 18 -3.244 -4.477 -8.990 285 H CYS 19 H CYS 19 -6.944 -4.597 -9.078 286 HA CYS 19 HA CYS 19 -8.983 -6.004 -7.602 287 1HB CYS 19 1HB CYS 19 -8.522 -3.501 -7.540 288 2HB CYS 19 2HB CYS 19 -9.326 -3.398 -9.106 289 H GLY 20 H GLY 20 -9.274 -4.438 -10.817 290 1HA GLY 20 1HA GLY 20 -9.966 -6.083 -12.669 291 2HA GLY 20 2HA GLY 20 -11.211 -6.602 -11.532 292 H GLU 21 H GLU 21 -13.048 -5.905 -12.599 293 HA GLU 21 HA GLU 21 -13.153 -3.164 -13.690 294 1HB GLU 21 1HB GLU 21 -15.378 -3.805 -14.496 295 2HB GLU 21 2HB GLU 21 -14.208 -5.057 -14.916 296 1HG GLU 21 1HG GLU 21 -15.422 -5.445 -12.272 297 2HG GLU 21 2HG GLU 21 -16.590 -5.497 -13.593 298 H ARG 22 H ARG 22 -13.106 -4.037 -10.681 299 HA ARG 22 HA ARG 22 -15.640 -2.783 -9.790 300 1HB ARG 22 1HB ARG 22 -13.392 -3.864 -8.071 301 2HB ARG 22 2HB ARG 22 -15.059 -3.552 -7.587 302 1HG ARG 22 1HG ARG 22 -14.698 -5.393 -9.889 303 2HG ARG 22 2HG ARG 22 -14.174 -6.005 -8.320 304 1HD ARG 22 1HD ARG 22 -16.763 -4.621 -8.225 305 2HD ARG 22 2HD ARG 22 -16.772 -6.056 -9.249 306 HE ARG 22 HE ARG 22 -15.509 -6.905 -6.935 307 1HH1 ARG 22 1HH1 ARG 22 -18.473 -5.316 -7.723 308 2HH1 ARG 22 2HH1 ARG 22 -19.340 -5.994 -6.387 309 1HH2 ARG 22 1HH2 ARG 22 -16.632 -7.795 -5.188 310 2HH2 ARG 22 2HH2 ARG 22 -18.301 -7.394 -4.954 311 H GLY 23 H GLY 23 -12.178 -2.400 -8.920 312 1HA GLY 23 1HA GLY 23 -11.269 -0.053 -9.365 313 2HA GLY 23 2HA GLY 23 -12.742 0.518 -8.577 314 H PHE 24 H PHE 24 -10.315 1.296 -7.528 315 HA PHE 24 HA PHE 24 -10.242 -0.258 -4.978 316 1HB PHE 24 1HB PHE 24 -7.737 0.501 -4.963 317 2HB PHE 24 2HB PHE 24 -8.198 -0.899 -5.931 318 HD1 PHE 24 HD1 PHE 24 -8.913 -0.409 -8.406 319 HD2 PHE 24 HD2 PHE 24 -6.608 2.289 -5.982 320 HE1 PHE 24 HE1 PHE 24 -8.099 0.734 -10.450 321 HE2 PHE 24 HE2 PHE 24 -5.793 3.431 -8.029 322 HZ PHE 24 HZ PHE 24 -6.540 2.654 -10.262 323 H PHE 25 H PHE 25 -9.211 1.135 -3.190 324 HA PHE 25 HA PHE 25 -10.480 3.792 -3.291 325 1HB PHE 25 1HB PHE 25 -10.669 2.319 -1.273 326 2HB PHE 25 2HB PHE 25 -8.931 2.482 -1.035 327 HD1 PHE 25 HD1 PHE 25 -10.243 5.455 -2.473 328 HD2 PHE 25 HD2 PHE 25 -9.885 3.365 1.265 329 HE1 PHE 25 HE1 PHE 25 -10.609 7.579 -1.250 330 HE2 PHE 25 HE2 PHE 25 -10.251 5.492 2.487 331 HZ PHE 25 HZ PHE 25 -10.614 7.599 1.230 332 H TYR 26 H TYR 26 -8.863 4.460 -5.016 333 HA TYR 26 HA TYR 26 -6.530 5.720 -3.679 334 1HB TYR 26 1HB TYR 26 -5.774 3.571 -4.736 335 2HB TYR 26 2HB TYR 26 -6.309 4.199 -6.293 336 HD1 TYR 26 HD1 TYR 26 -4.716 6.118 -3.523 337 HD2 TYR 26 HD2 TYR 26 -4.248 4.444 -7.451 338 HE1 TYR 26 HE1 TYR 26 -2.563 7.320 -3.779 339 HE2 TYR 26 HE2 TYR 26 -2.096 5.648 -7.707 340 HH TYR 26 HH TYR 26 -0.586 7.299 -5.036 341 H GLU 27 H GLU 27 -8.321 7.441 -4.043 342 HA GLU 27 HA GLU 27 -8.413 8.412 -6.841 343 1HB GLU 27 1HB GLU 27 -10.146 8.590 -4.536 344 2HB GLU 27 2HB GLU 27 -9.777 10.207 -5.137 345 1HG GLU 27 1HG GLU 27 -10.370 9.402 -7.449 346 2HG GLU 27 2HG GLU 27 -10.920 7.892 -6.723 347 HA PRO 28 HA PRO 28 -5.209 11.361 -6.250 348 1HB PRO 28 1HB PRO 28 -6.341 13.248 -8.064 349 2HB PRO 28 2HB PRO 28 -5.091 12.044 -8.410 350 1HG PRO 28 1HG PRO 28 -7.858 12.045 -9.259 351 2HG PRO 28 2HG PRO 28 -6.580 10.897 -9.685 352 1HD PRO 28 1HD PRO 28 -8.796 10.471 -7.912 353 2HD PRO 28 2HD PRO 28 -7.488 9.341 -8.306 354 H LYS 29 H LYS 29 -8.380 12.968 -6.745 355 HA LYS 29 HA LYS 29 -7.704 14.757 -4.453 356 1HB LYS 29 1HB LYS 29 -9.669 16.121 -5.464 357 2HB LYS 29 2HB LYS 29 -8.132 16.122 -6.330 358 1HG LYS 29 1HG LYS 29 -8.927 14.424 -7.865 359 2HG LYS 29 2HG LYS 29 -10.411 14.218 -6.935 360 1HD LYS 29 1HD LYS 29 -11.330 15.765 -8.298 361 2HD LYS 29 2HD LYS 29 -10.334 16.952 -7.456 362 1HE LYS 29 1HE LYS 29 -9.039 17.261 -9.273 363 2HE LYS 29 2HE LYS 29 -8.781 15.526 -9.451 364 1HZ LYS 29 1HZ LYS 29 -11.157 15.529 -10.372 365 2HZ LYS 29 2HZ LYS 29 -10.934 17.201 -10.573 366 3HZ LYS 29 3HZ LYS 29 -9.910 16.103 -11.368 Start of MODEL 10 1 1H GLY 1 1H GLY 1 1.488 1.226 1.983 2 2H GLY 1 2H GLY 1 0.490 1.615 3.301 3 3H GLY 1 3H GLY 1 -0.021 0.465 2.164 4 1HA GLY 1 1HA GLY 1 -1.172 2.532 1.784 5 2HA GLY 1 2HA GLY 1 0.379 3.365 1.666 6 H ILE 2 H ILE 2 0.309 3.967 -0.501 7 HA ILE 2 HA ILE 2 0.594 1.752 -2.446 8 HB ILE 2 HB ILE 2 -1.372 4.023 -2.866 9 1HG1 ILE 2 1HG1 ILE 2 -1.935 1.078 -2.403 10 2HG1 ILE 2 2HG1 ILE 2 -2.080 2.313 -1.151 11 1HG2 ILE 2 1HG2 ILE 2 -0.019 2.336 -4.679 12 2HG2 ILE 2 2HG2 ILE 2 -1.661 1.704 -4.567 13 3HG2 ILE 2 3HG2 ILE 2 -1.392 3.386 -5.025 14 1HD1 ILE 2 1HD1 ILE 2 -3.461 3.258 -3.462 15 2HD1 ILE 2 2HD1 ILE 2 -3.988 1.601 -3.163 16 3HD1 ILE 2 3HD1 ILE 2 -4.141 2.818 -1.896 17 H VAL 3 H VAL 3 0.500 5.302 -2.024 18 HA VAL 3 HA VAL 3 2.381 5.681 -4.244 19 HB VAL 3 HB VAL 3 1.104 7.559 -2.246 20 1HG1 VAL 3 1HG1 VAL 3 3.407 8.328 -2.775 21 2HG1 VAL 3 2HG1 VAL 3 3.023 8.244 -4.495 22 3HG1 VAL 3 3HG1 VAL 3 2.183 9.399 -3.460 23 1HG2 VAL 3 1HG2 VAL 3 -0.289 6.683 -4.108 24 2HG2 VAL 3 2HG2 VAL 3 -0.013 8.418 -4.258 25 3HG2 VAL 3 3HG2 VAL 3 0.898 7.291 -5.262 26 H GLU 4 H GLU 4 2.518 5.322 -0.780 27 HA GLU 4 HA GLU 4 5.243 6.406 -0.598 28 1HB GLU 4 1HB GLU 4 4.037 4.717 1.557 29 2HB GLU 4 2HB GLU 4 5.032 6.165 1.699 30 1HG GLU 4 1HG GLU 4 3.061 7.436 0.666 31 2HG GLU 4 2HG GLU 4 2.104 5.988 0.982 32 H GLN 5 H GLN 5 3.763 3.422 -1.387 33 HA GLN 5 HA GLN 5 6.284 1.934 -0.802 34 1HB GLN 5 1HB GLN 5 3.414 1.120 -1.145 35 2HB GLN 5 2HB GLN 5 4.686 -0.047 -1.511 36 1HG GLN 5 1HG GLN 5 4.332 -0.455 0.757 37 2HG GLN 5 2HG GLN 5 5.653 0.711 0.816 38 1HE2 GLN 5 2HE2 GLN 5 4.245 0.737 3.103 39 2HE2 GLN 5 1HE2 GLN 5 3.149 2.031 3.176 40 H CYS 6 H CYS 6 4.553 3.431 -3.309 41 HA CYS 6 HA CYS 6 5.876 1.722 -5.371 42 1HB CYS 6 1HB CYS 6 3.507 3.599 -5.484 43 2HB CYS 6 2HB CYS 6 4.301 3.002 -6.940 44 H CYS 7 H CYS 7 5.396 5.099 -4.352 45 HA CYS 7 HA CYS 7 7.266 6.091 -6.379 46 1HB CYS 7 1HB CYS 7 5.868 7.405 -4.037 47 2HB CYS 7 2HB CYS 7 6.993 8.262 -5.087 48 H HIS 8 H HIS 8 7.291 5.601 -2.842 49 HA HIS 8 HA HIS 8 10.040 6.520 -2.585 50 1HB HIS 8 1HB HIS 8 8.448 4.815 -0.651 51 2HB HIS 8 2HB HIS 8 9.861 5.804 -0.279 52 HD1 HIS 8 HD1 HIS 8 7.876 6.810 1.444 53 HD2 HIS 8 HD2 HIS 8 7.676 7.839 -2.591 54 HE1 HIS 8 HE1 HIS 8 6.405 8.867 1.301 55 H SER 9 H SER 9 8.639 3.674 -3.758 56 HA SER 9 HA SER 9 11.169 2.401 -4.176 57 1HB SER 9 1HB SER 9 11.225 0.708 -2.558 58 2HB SER 9 2HB SER 9 10.673 2.094 -1.624 59 HG SER 9 HG SER 9 8.500 1.331 -2.136 60 H ILE 10 H ILE 10 10.545 -0.188 -4.550 61 HA ILE 10 HA ILE 10 8.495 -0.053 -6.656 62 HB ILE 10 HB ILE 10 10.096 -2.466 -5.760 63 1HG1 ILE 10 1HG1 ILE 10 10.905 -0.846 -8.131 64 2HG1 ILE 10 2HG1 ILE 10 11.287 -0.182 -6.543 65 1HG2 ILE 10 1HG2 ILE 10 8.084 -2.765 -7.268 66 2HG2 ILE 10 2HG2 ILE 10 8.914 -1.766 -8.461 67 3HG2 ILE 10 3HG2 ILE 10 9.610 -3.310 -7.966 68 1HD1 ILE 10 1HD1 ILE 10 11.933 -3.046 -7.229 69 2HD1 ILE 10 2HD1 ILE 10 13.041 -1.737 -7.640 70 3HD1 ILE 10 3HD1 ILE 10 12.622 -2.041 -5.954 71 H CYS 11 H CYS 11 6.621 -1.441 -6.690 72 HA CYS 11 HA CYS 11 5.808 -2.363 -3.962 73 1HB CYS 11 1HB CYS 11 3.501 -2.201 -5.570 74 2HB CYS 11 2HB CYS 11 3.948 -1.123 -4.249 75 H SER 12 H SER 12 3.684 -3.909 -4.540 76 HA SER 12 HA SER 12 4.544 -5.893 -6.573 77 1HB SER 12 1HB SER 12 3.735 -7.536 -4.544 78 2HB SER 12 2HB SER 12 5.419 -7.147 -4.881 79 HG SER 12 HG SER 12 5.481 -6.032 -3.104 80 H LEU 13 H LEU 13 2.783 -6.887 -7.545 81 HA LEU 13 HA LEU 13 0.226 -5.675 -7.364 82 1HB LEU 13 1HB LEU 13 1.277 -8.209 -8.561 83 2HB LEU 13 2HB LEU 13 -0.471 -8.012 -8.424 84 HG LEU 13 HG LEU 13 1.309 -5.890 -9.638 85 1HD1 LEU 13 1HD1 LEU 13 0.654 -8.468 -10.708 86 2HD1 LEU 13 2HD1 LEU 13 -0.227 -7.243 -11.622 87 3HD1 LEU 13 3HD1 LEU 13 1.529 -7.150 -11.488 88 1HD2 LEU 13 1HD2 LEU 13 -1.186 -5.609 -8.755 89 2HD2 LEU 13 2HD2 LEU 13 -0.670 -4.850 -10.260 90 3HD2 LEU 13 3HD2 LEU 13 -1.575 -6.363 -10.300 91 H TYR 14 H TYR 14 1.739 -7.979 -5.322 92 HA TYR 14 HA TYR 14 -0.604 -9.312 -4.307 93 1HB TYR 14 1HB TYR 14 2.177 -8.834 -3.241 94 2HB TYR 14 2HB TYR 14 0.945 -9.586 -2.229 95 HD1 TYR 14 HD1 TYR 14 0.744 -10.091 -5.834 96 HD2 TYR 14 HD2 TYR 14 2.333 -11.669 -2.167 97 HE1 TYR 14 HE1 TYR 14 1.156 -12.266 -6.949 98 HE2 TYR 14 HE2 TYR 14 2.744 -13.845 -3.284 99 HH TYR 14 HH TYR 14 2.738 -14.244 -6.592 100 H GLN 15 H GLN 15 1.159 -6.380 -3.362 101 HA GLN 15 HA GLN 15 -0.561 -5.795 -1.100 102 1HB GLN 15 1HB GLN 15 1.018 -3.726 -2.624 103 2HB GLN 15 2HB GLN 15 0.679 -3.796 -0.895 104 1HG GLN 15 1HG GLN 15 2.012 -6.165 -1.298 105 2HG GLN 15 2HG GLN 15 2.824 -5.095 -2.441 106 1HE2 GLN 15 2HE2 GLN 15 4.580 -5.660 -0.592 107 2HE2 GLN 15 1HE2 GLN 15 4.684 -4.508 0.649 108 H LEU 16 H LEU 16 -0.596 -5.090 -4.535 109 HA LEU 16 HA LEU 16 -2.698 -3.072 -4.335 110 1HB LEU 16 1HB LEU 16 -1.756 -4.628 -6.761 111 2HB LEU 16 2HB LEU 16 -2.694 -3.135 -6.772 112 HG LEU 16 HG LEU 16 0.039 -3.349 -5.490 113 1HD1 LEU 16 1HD1 LEU 16 0.109 -3.835 -7.951 114 2HD1 LEU 16 2HD1 LEU 16 -0.650 -2.269 -8.239 115 3HD1 LEU 16 3HD1 LEU 16 0.954 -2.352 -7.510 116 1HD2 LEU 16 1HD2 LEU 16 -1.595 -1.502 -4.840 117 2HD2 LEU 16 2HD2 LEU 16 -0.043 -0.949 -5.471 118 3HD2 LEU 16 3HD2 LEU 16 -1.474 -0.928 -6.503 119 H GLU 17 H GLU 17 -2.736 -6.335 -3.833 120 HA GLU 17 HA GLU 17 -5.250 -6.903 -5.258 121 1HB GLU 17 1HB GLU 17 -3.134 -8.452 -4.123 122 2HB GLU 17 2HB GLU 17 -4.634 -8.909 -3.316 123 1HG GLU 17 1HG GLU 17 -4.634 -8.610 -6.299 124 2HG GLU 17 2HG GLU 17 -3.941 -10.068 -5.589 125 H ASN 18 H ASN 18 -4.229 -5.739 -2.175 126 HA ASN 18 HA ASN 18 -6.743 -6.485 -0.833 127 1HB ASN 18 1HB ASN 18 -5.020 -4.451 0.444 128 2HB ASN 18 2HB ASN 18 -5.685 -5.941 1.112 129 1HD2 ASN 18 1HD2 ASN 18 -2.797 -4.711 0.923 130 2HD2 ASN 18 2HD2 ASN 18 -1.863 -6.024 0.389 131 H TYR 19 H TYR 19 -5.639 -3.988 -2.859 132 HA TYR 19 HA TYR 19 -7.548 -2.003 -1.757 133 1HB TYR 19 1HB TYR 19 -5.845 -1.635 -4.217 134 2HB TYR 19 2HB TYR 19 -6.478 -0.402 -3.124 135 HD1 TYR 19 HD1 TYR 19 -5.789 -2.082 -0.565 136 HD2 TYR 19 HD2 TYR 19 -3.533 -0.868 -4.012 137 HE1 TYR 19 HE1 TYR 19 -3.697 -2.190 0.764 138 HE2 TYR 19 HE2 TYR 19 -1.443 -0.975 -2.687 139 HH TYR 19 HH TYR 19 -1.447 -1.259 0.725 140 H CYS 20 H CYS 20 -8.494 -4.502 -3.046 141 HA CYS 20 HA CYS 20 -9.632 -3.496 -5.596 142 1HB CYS 20 1HB CYS 20 -8.771 -5.743 -5.723 143 2HB CYS 20 2HB CYS 20 -9.654 -6.221 -4.273 144 H ASN 21 H ASN 21 -11.503 -2.367 -5.407 145 HA ASN 21 HA ASN 21 -13.161 -2.406 -3.066 146 1HB ASN 21 1HB ASN 21 -13.675 -1.441 -5.893 147 2HB ASN 21 2HB ASN 21 -14.813 -1.205 -4.564 148 1HD2 ASN 21 2HD2 ASN 21 -12.627 0.514 -6.213 149 2HD2 ASN 21 1HD2 ASN 21 -11.981 1.490 -4.983 150 1H GLU 1 1H GLU 1 9.608 -8.022 -13.491 151 2H GLU 1 2H GLU 1 10.292 -9.430 -14.141 152 3H GLU 1 3H GLU 1 11.224 -8.416 -13.146 153 HA GLU 1 HA GLU 1 11.975 -7.846 -15.236 154 1HB GLU 1 1HB GLU 1 9.512 -8.981 -16.025 155 2HB GLU 1 2HB GLU 1 9.507 -7.329 -16.645 156 1HG GLU 1 1HG GLU 1 12.014 -8.919 -16.965 157 2HG GLU 1 2HG GLU 1 10.650 -9.319 -18.009 158 H VAL 2 H VAL 2 12.190 -5.681 -16.019 159 HA VAL 2 HA VAL 2 12.228 -3.372 -15.512 160 HB VAL 2 HB VAL 2 9.905 -2.362 -15.889 161 1HG1 VAL 2 1HG1 VAL 2 11.445 -4.100 -17.768 162 2HG1 VAL 2 2HG1 VAL 2 9.879 -3.494 -18.310 163 3HG1 VAL 2 3HG1 VAL 2 11.146 -2.363 -17.834 164 1HG2 VAL 2 1HG2 VAL 2 8.640 -4.345 -15.080 165 2HG2 VAL 2 2HG2 VAL 2 8.184 -3.900 -16.723 166 3HG2 VAL 2 3HG2 VAL 2 9.253 -5.275 -16.447 167 H ASN 3 H ASN 3 12.684 -4.241 -13.148 168 HA ASN 3 HA ASN 3 10.489 -3.784 -11.258 169 1HB ASN 3 1HB ASN 3 12.165 -4.280 -9.537 170 2HB ASN 3 2HB ASN 3 12.247 -5.486 -10.821 171 1HD2 ASN 3 2HD2 ASN 3 14.201 -3.551 -8.929 172 2HD2 ASN 3 1HD2 ASN 3 15.547 -3.433 -9.957 173 H GLN 4 H GLN 4 9.947 -1.569 -11.606 174 HA GLN 4 HA GLN 4 12.035 0.347 -10.642 175 1HB GLN 4 1HB GLN 4 10.725 0.331 -13.141 176 2HB GLN 4 2HB GLN 4 9.972 1.630 -12.215 177 1HG GLN 4 1HG GLN 4 12.568 2.072 -11.593 178 2HG GLN 4 2HG GLN 4 12.761 1.383 -13.205 179 1HE2 GLN 4 2HE2 GLN 4 10.353 3.635 -11.713 180 2HE2 GLN 4 1HE2 GLN 4 10.464 4.795 -12.947 181 H HIS 5 H HIS 5 10.998 2.358 -9.663 182 HA HIS 5 HA HIS 5 8.881 1.485 -7.811 183 1HB HIS 5 1HB HIS 5 9.892 4.295 -7.811 184 2HB HIS 5 2HB HIS 5 9.543 3.229 -6.452 185 HD1 HIS 5 HD1 HIS 5 11.391 1.500 -5.780 186 HD2 HIS 5 HD2 HIS 5 12.527 4.093 -8.837 187 HE1 HIS 5 HE1 HIS 5 13.898 1.258 -6.025 188 H LEU 6 H LEU 6 6.989 1.406 -9.103 189 HA LEU 6 HA LEU 6 6.126 3.248 -11.024 190 1HB LEU 6 1HB LEU 6 4.668 1.517 -9.047 191 2HB LEU 6 2HB LEU 6 3.756 2.665 -10.029 192 HG LEU 6 HG LEU 6 4.511 1.660 -12.067 193 1HD1 LEU 6 1HD1 LEU 6 6.859 1.300 -11.314 194 2HD1 LEU 6 2HD1 LEU 6 6.317 -0.084 -10.364 195 3HD1 LEU 6 3HD1 LEU 6 6.190 -0.117 -12.123 196 1HD2 LEU 6 1HD2 LEU 6 3.560 -0.183 -9.911 197 2HD2 LEU 6 2HD2 LEU 6 2.753 0.305 -11.401 198 3HD2 LEU 6 3HD2 LEU 6 4.045 -0.895 -11.449 199 H CYS 7 H CYS 7 5.283 5.321 -10.944 200 HA CYS 7 HA CYS 7 4.405 6.442 -8.365 201 1HB CYS 7 1HB CYS 7 6.955 6.729 -8.585 202 2HB CYS 7 2HB CYS 7 6.591 7.871 -9.879 203 H GLY 8 H GLY 8 2.384 6.869 -9.302 204 1HA GLY 8 1HA GLY 8 0.904 8.422 -10.315 205 2HA GLY 8 2HA GLY 8 2.293 9.225 -11.045 206 H SER 9 H SER 9 -0.396 7.499 -11.800 207 HA SER 9 HA SER 9 -1.122 6.580 -13.831 208 1HB SER 9 1HB SER 9 1.193 8.149 -14.516 209 2HB SER 9 2HB SER 9 1.193 6.668 -15.471 210 HG SER 9 HG SER 9 -0.286 7.616 -16.613 211 H GLU 10 H GLU 10 2.282 5.700 -14.297 212 HA GLU 10 HA GLU 10 1.985 3.069 -14.991 213 1HB GLU 10 1HB GLU 10 4.192 2.639 -13.769 214 2HB GLU 10 2HB GLU 10 4.195 3.960 -14.937 215 1HG GLU 10 1HG GLU 10 3.436 5.331 -12.746 216 2HG GLU 10 2HG GLU 10 4.374 4.055 -11.971 217 H LEU 11 H LEU 11 1.517 4.380 -11.772 218 HA LEU 11 HA LEU 11 1.436 1.764 -10.473 219 1HB LEU 11 1HB LEU 11 2.048 3.529 -9.028 220 2HB LEU 11 2HB LEU 11 0.776 4.584 -9.638 221 HG LEU 11 HG LEU 11 -0.933 3.292 -8.538 222 1HD1 LEU 11 1HD1 LEU 11 1.008 1.208 -8.740 223 2HD1 LEU 11 2HD1 LEU 11 0.598 1.401 -7.036 224 3HD1 LEU 11 3HD1 LEU 11 -0.672 1.084 -8.217 225 1HD2 LEU 11 1HD2 LEU 11 1.029 4.695 -7.189 226 2HD2 LEU 11 2HD2 LEU 11 -0.487 4.140 -6.482 227 3HD2 LEU 11 3HD2 LEU 11 0.976 3.170 -6.305 228 H VAL 12 H VAL 12 -0.994 4.192 -11.443 229 HA VAL 12 HA VAL 12 -3.271 2.689 -10.614 230 HB VAL 12 HB VAL 12 -3.003 5.196 -11.435 231 1HG1 VAL 12 1HG1 VAL 12 -2.475 4.171 -13.812 232 2HG1 VAL 12 2HG1 VAL 12 -4.232 4.077 -13.927 233 3HG1 VAL 12 3HG1 VAL 12 -3.447 5.635 -13.670 234 1HG2 VAL 12 1HG2 VAL 12 -5.124 3.500 -10.843 235 2HG2 VAL 12 2HG2 VAL 12 -5.223 5.253 -11.013 236 3HG2 VAL 12 3HG2 VAL 12 -5.585 4.211 -12.389 237 H GLU 13 H GLU 13 -1.203 2.411 -13.398 238 HA GLU 13 HA GLU 13 -3.054 0.966 -15.080 239 1HB GLU 13 1HB GLU 13 -1.008 2.075 -15.956 240 2HB GLU 13 2HB GLU 13 -0.019 0.910 -15.075 241 1HG GLU 13 1HG GLU 13 -1.119 -0.933 -16.334 242 2HG GLU 13 2HG GLU 13 -2.021 0.267 -17.259 243 H ALA 14 H ALA 14 -0.986 0.131 -12.410 244 HA ALA 14 HA ALA 14 -1.422 -2.771 -12.924 245 1HB ALA 14 1HB ALA 14 0.719 -1.259 -11.770 246 2HB ALA 14 2HB ALA 14 0.056 -2.316 -10.523 247 3HB ALA 14 3HB ALA 14 0.636 -2.999 -12.041 248 H LEU 15 H LEU 15 -2.616 -0.142 -11.106 249 HA LEU 15 HA LEU 15 -3.606 -1.721 -8.856 250 1HB LEU 15 1HB LEU 15 -3.663 1.110 -9.713 251 2HB LEU 15 2HB LEU 15 -5.074 0.578 -8.800 252 HG LEU 15 HG LEU 15 -2.223 0.093 -7.909 253 1HD1 LEU 15 1HD1 LEU 15 -4.083 2.398 -7.496 254 2HD1 LEU 15 2HD1 LEU 15 -3.083 1.881 -6.136 255 3HD1 LEU 15 3HD1 LEU 15 -2.324 2.388 -7.646 256 1HD2 LEU 15 1HD2 LEU 15 -4.957 -0.466 -6.838 257 2HD2 LEU 15 2HD2 LEU 15 -3.496 -1.448 -6.739 258 3HD2 LEU 15 3HD2 LEU 15 -3.691 -0.048 -5.684 259 H GLU 16 H GLU 16 -4.749 -0.747 -12.012 260 HA GLU 16 HA GLU 16 -7.513 -1.597 -11.400 261 1HB GLU 16 1HB GLU 16 -8.067 -0.806 -13.600 262 2HB GLU 16 2HB GLU 16 -6.963 0.382 -12.904 263 1HG GLU 16 1HG GLU 16 -5.071 -0.870 -14.050 264 2HG GLU 16 2HG GLU 16 -6.310 -1.783 -14.915 265 H LEU 17 H LEU 17 -4.608 -3.026 -12.379 266 HA LEU 17 HA LEU 17 -5.847 -5.084 -14.081 267 1HB LEU 17 1HB LEU 17 -3.100 -4.291 -13.306 268 2HB LEU 17 2HB LEU 17 -3.343 -6.023 -13.542 269 HG LEU 17 HG LEU 17 -4.089 -3.862 -15.535 270 1HD1 LEU 17 1HD1 LEU 17 -1.807 -5.849 -15.411 271 2HD1 LEU 17 2HD1 LEU 17 -2.257 -4.982 -16.880 272 3HD1 LEU 17 3HD1 LEU 17 -1.693 -4.090 -15.466 273 1HD2 LEU 17 1HD2 LEU 17 -5.156 -6.413 -15.218 274 2HD2 LEU 17 2HD2 LEU 17 -5.199 -5.457 -16.700 275 3HD2 LEU 17 3HD2 LEU 17 -3.912 -6.637 -16.449 276 H VAL 18 H VAL 18 -5.089 -4.579 -10.748 277 HA VAL 18 HA VAL 18 -5.160 -7.437 -10.078 278 HB VAL 18 HB VAL 18 -5.597 -5.976 -7.716 279 1HG1 VAL 18 1HG1 VAL 18 -4.161 -7.961 -8.020 280 2HG1 VAL 18 2HG1 VAL 18 -3.007 -6.979 -8.924 281 3HG1 VAL 18 3HG1 VAL 18 -3.288 -6.657 -7.214 282 1HG2 VAL 18 1HG2 VAL 18 -5.025 -3.915 -9.031 283 2HG2 VAL 18 2HG2 VAL 18 -3.891 -4.247 -7.723 284 3HG2 VAL 18 3HG2 VAL 18 -3.455 -4.634 -9.386 285 H CYS 19 H CYS 19 -7.151 -4.746 -8.816 286 HA CYS 19 HA CYS 19 -9.361 -6.450 -8.181 287 1HB CYS 19 1HB CYS 19 -8.913 -4.088 -7.307 288 2HB CYS 19 2HB CYS 19 -9.557 -3.503 -8.841 289 H GLY 20 H GLY 20 -9.369 -3.893 -10.674 290 1HA GLY 20 1HA GLY 20 -10.373 -3.830 -12.789 291 2HA GLY 20 2HA GLY 20 -10.010 -5.551 -12.883 292 H GLU 21 H GLU 21 -12.474 -3.736 -13.478 293 HA GLU 21 HA GLU 21 -14.751 -4.333 -13.694 294 1HB GLU 21 1HB GLU 21 -13.630 -6.728 -12.897 295 2HB GLU 21 2HB GLU 21 -14.818 -6.413 -11.631 296 1HG GLU 21 1HG GLU 21 -16.528 -5.993 -13.414 297 2HG GLU 21 2HG GLU 21 -15.333 -6.485 -14.616 298 H ARG 22 H ARG 22 -13.145 -3.766 -10.669 299 HA ARG 22 HA ARG 22 -15.688 -2.586 -9.644 300 1HB ARG 22 1HB ARG 22 -13.634 -3.747 -7.777 301 2HB ARG 22 2HB ARG 22 -15.347 -3.447 -7.491 302 1HG ARG 22 1HG ARG 22 -15.222 -5.237 -9.676 303 2HG ARG 22 2HG ARG 22 -14.078 -5.842 -8.478 304 1HD ARG 22 1HD ARG 22 -16.757 -4.925 -7.519 305 2HD ARG 22 2HD ARG 22 -16.662 -6.477 -8.354 306 HE ARG 22 HE ARG 22 -14.621 -6.607 -6.487 307 1HH1 ARG 22 1HH1 ARG 22 -18.003 -5.904 -6.445 308 2HH1 ARG 22 2HH1 ARG 22 -18.241 -6.517 -4.843 309 1HH2 ARG 22 1HH2 ARG 22 -14.921 -7.408 -4.400 310 2HH2 ARG 22 2HH2 ARG 22 -16.499 -7.367 -3.687 311 H GLY 23 H GLY 23 -12.163 -2.464 -9.774 312 1HA GLY 23 1HA GLY 23 -11.074 -0.275 -10.014 313 2HA GLY 23 2HA GLY 23 -12.342 0.412 -8.997 314 H PHE 24 H PHE 24 -10.322 1.217 -7.816 315 HA PHE 24 HA PHE 24 -9.800 -0.627 -5.578 316 1HB PHE 24 1HB PHE 24 -7.269 0.016 -5.834 317 2HB PHE 24 2HB PHE 24 -7.925 -1.302 -6.807 318 HD1 PHE 24 HD1 PHE 24 -8.508 -0.934 -9.194 319 HD2 PHE 24 HD2 PHE 24 -6.592 2.104 -6.838 320 HE1 PHE 24 HE1 PHE 24 -7.889 0.283 -11.266 321 HE2 PHE 24 HE2 PHE 24 -5.973 3.321 -8.912 322 HZ PHE 24 HZ PHE 24 -6.622 2.409 -11.122 323 H PHE 25 H PHE 25 -8.342 0.608 -3.911 324 HA PHE 25 HA PHE 25 -9.481 3.337 -3.685 325 1HB PHE 25 1HB PHE 25 -8.308 1.350 -1.779 326 2HB PHE 25 2HB PHE 25 -8.232 3.060 -1.355 327 HD1 PHE 25 HD1 PHE 25 -10.522 4.388 -1.845 328 HD2 PHE 25 HD2 PHE 25 -10.195 0.168 -1.109 329 HE1 PHE 25 HE1 PHE 25 -12.905 4.324 -1.158 330 HE2 PHE 25 HE2 PHE 25 -12.578 0.104 -0.422 331 HZ PHE 25 HZ PHE 25 -13.932 2.181 -0.446 332 H TYR 26 H TYR 26 -8.111 4.437 -5.189 333 HA TYR 26 HA TYR 26 -5.353 4.884 -4.146 334 1HB TYR 26 1HB TYR 26 -5.125 3.380 -6.058 335 2HB TYR 26 2HB TYR 26 -6.131 4.439 -7.045 336 HD1 TYR 26 HD1 TYR 26 -3.871 5.981 -4.635 337 HD2 TYR 26 HD2 TYR 26 -4.253 4.615 -8.690 338 HE1 TYR 26 HE1 TYR 26 -1.870 7.302 -5.270 339 HE2 TYR 26 HE2 TYR 26 -2.253 5.938 -9.323 340 HH TYR 26 HH TYR 26 -0.165 7.337 -6.997 341 H GLU 27 H GLU 27 -6.665 6.770 -3.255 342 HA GLU 27 HA GLU 27 -6.611 8.984 -5.249 343 1HB GLU 27 1HB GLU 27 -8.963 7.873 -4.077 344 2HB GLU 27 2HB GLU 27 -8.717 9.472 -3.373 345 1HG GLU 27 1HG GLU 27 -8.323 10.291 -5.776 346 2HG GLU 27 2HG GLU 27 -8.997 8.745 -6.292 347 HA PRO 28 HA PRO 28 -4.148 10.239 -1.635 348 1HB PRO 28 1HB PRO 28 -2.880 12.216 -3.198 349 2HB PRO 28 2HB PRO 28 -2.236 10.613 -2.813 350 1HG PRO 28 1HG PRO 28 -3.304 11.600 -5.349 351 2HG PRO 28 2HG PRO 28 -2.393 10.116 -5.031 352 1HD PRO 28 1HD PRO 28 -5.177 10.325 -5.570 353 2HD PRO 28 2HD PRO 28 -4.300 8.875 -5.049 354 H LYS 29 H LYS 29 -5.385 11.530 -0.297 355 HA LYS 29 HA LYS 29 -6.075 14.239 -1.305 356 1HB LYS 29 1HB LYS 29 -8.286 13.848 0.107 357 2HB LYS 29 2HB LYS 29 -8.192 13.328 -1.576 358 1HG LYS 29 1HG LYS 29 -7.400 11.070 -0.713 359 2HG LYS 29 2HG LYS 29 -7.836 11.627 0.902 360 1HD LYS 29 1HD LYS 29 -9.989 12.168 -0.951 361 2HD LYS 29 2HD LYS 29 -9.549 10.462 -1.010 362 1HE LYS 29 1HE LYS 29 -9.501 10.880 1.675 363 2HE LYS 29 2HE LYS 29 -10.756 12.025 1.198 364 1HZ LYS 29 1HZ LYS 29 -10.796 9.287 0.126 365 2HZ LYS 29 2HZ LYS 29 -11.376 9.578 1.693 366 3HZ LYS 29 3HZ LYS 29 -12.085 10.367 0.367 Start of MODEL 11 1 1H GLY 1 1H GLY 1 1.120 2.949 2.746 2 2H GLY 1 2H GLY 1 1.557 1.995 4.078 3 3H GLY 1 3H GLY 1 2.435 1.880 2.628 4 1HA GLY 1 1HA GLY 1 1.090 -0.001 2.596 5 2HA GLY 1 2HA GLY 1 -0.291 0.904 3.214 6 H ILE 2 H ILE 2 1.954 1.798 0.602 7 HA ILE 2 HA ILE 2 0.590 1.071 -1.675 8 HB ILE 2 HB ILE 2 -0.978 3.001 -0.140 9 1HG1 ILE 2 1HG1 ILE 2 -1.770 0.855 -1.131 10 2HG1 ILE 2 2HG1 ILE 2 -2.731 2.236 -1.657 11 1HG2 ILE 2 1HG2 ILE 2 -0.056 3.775 -2.903 12 2HG2 ILE 2 2HG2 ILE 2 -1.659 4.236 -2.330 13 3HG2 ILE 2 3HG2 ILE 2 -0.223 4.791 -1.470 14 1HD1 ILE 2 1HD1 ILE 2 -0.986 2.310 -3.635 15 2HD1 ILE 2 2HD1 ILE 2 -0.735 0.619 -3.204 16 3HD1 ILE 2 3HD1 ILE 2 -2.335 1.177 -3.690 17 H VAL 3 H VAL 3 1.639 4.188 -0.253 18 HA VAL 3 HA VAL 3 3.173 4.776 -2.708 19 HB VAL 3 HB VAL 3 2.568 6.320 -0.177 20 1HG1 VAL 3 1HG1 VAL 3 4.951 6.704 -0.996 21 2HG1 VAL 3 2HG1 VAL 3 4.246 7.324 -2.489 22 3HG1 VAL 3 3HG1 VAL 3 3.926 8.138 -0.959 23 1HG2 VAL 3 1HG2 VAL 3 1.007 6.028 -2.290 24 2HG2 VAL 3 2HG2 VAL 3 1.176 7.608 -1.526 25 3HG2 VAL 3 3HG2 VAL 3 2.082 7.235 -2.993 26 H GLU 4 H GLU 4 3.803 4.287 0.772 27 HA GLU 4 HA GLU 4 6.659 4.518 0.492 28 1HB GLU 4 1HB GLU 4 4.884 3.320 2.602 29 2HB GLU 4 2HB GLU 4 6.638 3.331 2.753 30 1HG GLU 4 1HG GLU 4 6.570 5.828 2.405 31 2HG GLU 4 2HG GLU 4 4.810 5.734 2.496 32 H GLN 5 H GLN 5 4.495 2.060 -0.427 33 HA GLN 5 HA GLN 5 6.570 -0.045 -0.166 34 1HB GLN 5 1HB GLN 5 4.778 -1.588 -0.921 35 2HB GLN 5 2HB GLN 5 4.303 -0.673 0.509 36 1HG GLN 5 1HG GLN 5 2.722 0.544 -0.627 37 2HG GLN 5 2HG GLN 5 3.647 0.540 -2.129 38 1HE2 GLN 5 2HE2 GLN 5 0.869 -0.731 -0.763 39 2HE2 GLN 5 1HE2 GLN 5 0.704 -2.118 -1.728 40 H CYS 6 H CYS 6 4.861 1.858 -2.608 41 HA CYS 6 HA CYS 6 6.580 0.536 -4.674 42 1HB CYS 6 1HB CYS 6 3.745 1.321 -4.653 43 2HB CYS 6 2HB CYS 6 4.621 1.862 -6.084 44 H CYS 7 H CYS 7 5.147 3.655 -3.691 45 HA CYS 7 HA CYS 7 6.671 5.199 -5.563 46 1HB CYS 7 1HB CYS 7 4.634 5.891 -4.077 47 2HB CYS 7 2HB CYS 7 5.871 6.297 -2.888 48 H HIS 8 H HIS 8 7.409 3.859 -2.393 49 HA HIS 8 HA HIS 8 9.987 5.340 -2.358 50 1HB HIS 8 1HB HIS 8 8.663 3.544 -0.303 51 2HB HIS 8 2HB HIS 8 10.235 4.311 -0.087 52 HD1 HIS 8 HD1 HIS 8 6.999 5.776 -1.491 53 HD2 HIS 8 HD2 HIS 8 9.691 6.417 1.619 54 HE1 HIS 8 HE1 HIS 8 6.225 7.864 -0.290 55 H SER 9 H SER 9 8.684 2.282 -3.249 56 HA SER 9 HA SER 9 11.376 1.321 -3.928 57 1HB SER 9 1HB SER 9 10.504 -0.946 -2.698 58 2HB SER 9 2HB SER 9 11.580 0.223 -1.938 59 HG SER 9 HG SER 9 9.811 1.170 -0.961 60 H ILE 10 H ILE 10 10.928 -1.209 -4.697 61 HA ILE 10 HA ILE 10 8.774 -0.889 -6.722 62 HB ILE 10 HB ILE 10 10.880 -3.055 -6.655 63 1HG1 ILE 10 1HG1 ILE 10 11.575 -1.015 -8.509 64 2HG1 ILE 10 2HG1 ILE 10 11.260 -0.215 -6.968 65 1HG2 ILE 10 1HG2 ILE 10 8.668 -2.503 -8.311 66 2HG2 ILE 10 2HG2 ILE 10 10.085 -1.998 -9.233 67 3HG2 ILE 10 3HG2 ILE 10 9.970 -3.651 -8.628 68 1HD1 ILE 10 1HD1 ILE 10 13.032 -2.656 -7.239 69 2HD1 ILE 10 2HD1 ILE 10 13.646 -1.004 -7.281 70 3HD1 ILE 10 3HD1 ILE 10 12.854 -1.612 -5.828 71 H CYS 11 H CYS 11 7.097 -2.378 -6.922 72 HA CYS 11 HA CYS 11 6.970 -4.518 -4.831 73 1HB CYS 11 1HB CYS 11 4.426 -3.370 -5.876 74 2HB CYS 11 2HB CYS 11 4.807 -3.965 -4.264 75 H SER 12 H SER 12 4.350 -5.354 -5.984 76 HA SER 12 HA SER 12 5.102 -6.247 -8.707 77 1HB SER 12 1HB SER 12 4.266 -8.611 -7.888 78 2HB SER 12 2HB SER 12 5.939 -8.132 -7.620 79 HG SER 12 HG SER 12 5.281 -7.418 -5.529 80 H LEU 13 H LEU 13 2.650 -7.471 -6.441 81 HA LEU 13 HA LEU 13 0.510 -5.868 -7.573 82 1HB LEU 13 1HB LEU 13 1.158 -8.477 -8.763 83 2HB LEU 13 2HB LEU 13 -0.521 -8.343 -8.241 84 HG LEU 13 HG LEU 13 0.918 -6.353 -10.021 85 1HD1 LEU 13 1HD1 LEU 13 -0.263 -8.866 -10.622 86 2HD1 LEU 13 2HD1 LEU 13 -1.370 -7.625 -11.209 87 3HD1 LEU 13 3HD1 LEU 13 0.306 -7.644 -11.759 88 1HD2 LEU 13 1HD2 LEU 13 -1.441 -6.143 -8.414 89 2HD2 LEU 13 2HD2 LEU 13 -0.782 -4.957 -9.540 90 3HD2 LEU 13 3HD2 LEU 13 -1.931 -6.167 -10.108 91 H TYR 14 H TYR 14 1.454 -8.788 -5.792 92 HA TYR 14 HA TYR 14 -0.927 -9.311 -4.396 93 1HB TYR 14 1HB TYR 14 1.789 -9.400 -3.074 94 2HB TYR 14 2HB TYR 14 0.403 -10.453 -2.790 95 HD1 TYR 14 HD1 TYR 14 -0.449 -10.987 -5.600 96 HD2 TYR 14 HD2 TYR 14 3.460 -10.909 -3.822 97 HE1 TYR 14 HE1 TYR 14 0.375 -12.546 -7.344 98 HE2 TYR 14 HE2 TYR 14 4.285 -12.468 -5.566 99 HH TYR 14 HH TYR 14 2.083 -13.784 -8.041 100 H GLN 15 H GLN 15 1.188 -6.583 -4.149 101 HA GLN 15 HA GLN 15 0.239 -5.794 -1.488 102 1HB GLN 15 1HB GLN 15 1.693 -4.029 -3.465 103 2HB GLN 15 2HB GLN 15 1.683 -3.919 -1.704 104 1HG GLN 15 1HG GLN 15 2.878 -6.202 -3.305 105 2HG GLN 15 2HG GLN 15 3.797 -4.910 -2.531 106 1HE2 GLN 15 2HE2 GLN 15 4.278 -7.575 -1.737 107 2HE2 GLN 15 1HE2 GLN 15 3.677 -7.811 -0.168 108 H LEU 16 H LEU 16 -0.372 -4.890 -4.865 109 HA LEU 16 HA LEU 16 -2.306 -2.826 -4.058 110 1HB LEU 16 1HB LEU 16 -1.725 -3.947 -6.816 111 2HB LEU 16 2HB LEU 16 -2.588 -2.452 -6.448 112 HG LEU 16 HG LEU 16 0.255 -2.949 -5.541 113 1HD1 LEU 16 1HD1 LEU 16 -0.125 -3.005 -8.097 114 2HD1 LEU 16 2HD1 LEU 16 -0.534 -1.296 -7.940 115 3HD1 LEU 16 3HD1 LEU 16 1.071 -1.864 -7.480 116 1HD2 LEU 16 1HD2 LEU 16 -1.678 -0.982 -4.957 117 2HD2 LEU 16 2HD2 LEU 16 0.043 -0.923 -4.575 118 3HD2 LEU 16 3HD2 LEU 16 -0.551 -0.217 -6.078 119 H GLU 17 H GLU 17 -2.519 -5.980 -3.753 120 HA GLU 17 HA GLU 17 -5.083 -6.420 -5.153 121 1HB GLU 17 1HB GLU 17 -3.005 -8.099 -4.454 122 2HB GLU 17 2HB GLU 17 -4.214 -8.454 -3.219 123 1HG GLU 17 1HG GLU 17 -5.907 -8.822 -4.977 124 2HG GLU 17 2HG GLU 17 -4.696 -8.476 -6.213 125 H ASN 18 H ASN 18 -3.901 -5.555 -1.999 126 HA ASN 18 HA ASN 18 -6.463 -6.216 -0.693 127 1HB ASN 18 1HB ASN 18 -4.520 -4.544 0.779 128 2HB ASN 18 2HB ASN 18 -5.343 -6.020 1.281 129 1HD2 ASN 18 2HD2 ASN 18 -4.290 -8.063 0.857 130 2HD2 ASN 18 1HD2 ASN 18 -2.692 -8.155 0.291 131 H TYR 19 H TYR 19 -5.306 -3.695 -2.568 132 HA TYR 19 HA TYR 19 -6.876 -1.630 -1.113 133 1HB TYR 19 1HB TYR 19 -5.305 -1.183 -3.646 134 2HB TYR 19 2HB TYR 19 -5.712 -0.018 -2.384 135 HD1 TYR 19 HD1 TYR 19 -5.067 -2.114 -0.106 136 HD2 TYR 19 HD2 TYR 19 -2.899 -0.635 -3.508 137 HE1 TYR 19 HE1 TYR 19 -2.928 -2.618 1.038 138 HE2 TYR 19 HE2 TYR 19 -0.760 -1.143 -2.363 139 HH TYR 19 HH TYR 19 -0.302 -1.454 0.618 140 H CYS 20 H CYS 20 -8.013 -3.949 -2.700 141 HA CYS 20 HA CYS 20 -9.420 -2.417 -4.837 142 1HB CYS 20 1HB CYS 20 -8.449 -4.426 -5.710 143 2HB CYS 20 2HB CYS 20 -9.046 -5.383 -4.356 144 H ASN 21 H ASN 21 -11.732 -2.503 -4.928 145 HA ASN 21 HA ASN 21 -12.974 -2.798 -2.264 146 1HB ASN 21 1HB ASN 21 -13.988 -0.922 -3.032 147 2HB ASN 21 2HB ASN 21 -13.466 -1.231 -4.683 148 1HD2 ASN 21 2HD2 ASN 21 -15.183 -1.482 -6.082 149 2HD2 ASN 21 1HD2 ASN 21 -16.700 -2.130 -5.676 150 1H GLU 1 1H GLU 1 14.629 -0.493 -13.370 151 2H GLU 1 2H GLU 1 15.472 -1.434 -14.501 152 3H GLU 1 3H GLU 1 15.934 0.179 -14.226 153 HA GLU 1 HA GLU 1 13.892 0.992 -15.160 154 1HB GLU 1 1HB GLU 1 15.930 0.196 -16.595 155 2HB GLU 1 2HB GLU 1 14.857 -1.116 -17.079 156 1HG GLU 1 1HG GLU 1 13.262 0.389 -18.007 157 2HG GLU 1 2HG GLU 1 14.013 1.782 -17.227 158 H VAL 2 H VAL 2 14.007 -2.479 -16.038 159 HA VAL 2 HA VAL 2 11.237 -2.742 -16.520 160 HB VAL 2 HB VAL 2 11.577 -5.119 -16.387 161 1HG1 VAL 2 1HG1 VAL 2 13.003 -3.564 -18.032 162 2HG1 VAL 2 2HG1 VAL 2 14.344 -4.275 -17.134 163 3HG1 VAL 2 3HG1 VAL 2 13.216 -5.315 -18.003 164 1HG2 VAL 2 1HG2 VAL 2 14.052 -4.420 -14.773 165 2HG2 VAL 2 2HG2 VAL 2 12.602 -5.222 -14.169 166 3HG2 VAL 2 3HG2 VAL 2 13.647 -6.044 -15.329 167 H ASN 3 H ASN 3 13.070 -3.199 -13.502 168 HA ASN 3 HA ASN 3 10.463 -3.424 -12.060 169 1HB ASN 3 1HB ASN 3 12.996 -4.787 -11.794 170 2HB ASN 3 2HB ASN 3 12.603 -3.953 -10.290 171 1HD2 ASN 3 2HD2 ASN 3 10.204 -5.248 -12.599 172 2HD2 ASN 3 1HD2 ASN 3 9.571 -6.413 -11.539 173 H GLN 4 H GLN 4 10.597 -0.938 -12.593 174 HA GLN 4 HA GLN 4 12.302 0.504 -10.637 175 1HB GLN 4 1HB GLN 4 12.030 1.210 -13.097 176 2HB GLN 4 2HB GLN 4 10.410 1.739 -12.642 177 1HG GLN 4 1HG GLN 4 11.314 3.260 -10.977 178 2HG GLN 4 2HG GLN 4 12.948 2.658 -11.264 179 1HE2 GLN 4 2HE2 GLN 4 10.730 5.071 -12.194 180 2HE2 GLN 4 1HE2 GLN 4 11.511 5.582 -13.612 181 H HIS 5 H HIS 5 11.194 2.289 -9.378 182 HA HIS 5 HA HIS 5 9.065 1.258 -7.798 183 1HB HIS 5 1HB HIS 5 9.504 4.219 -8.109 184 2HB HIS 5 2HB HIS 5 9.117 3.303 -6.652 185 HD1 HIS 5 HD1 HIS 5 11.150 1.491 -5.990 186 HD2 HIS 5 HD2 HIS 5 12.186 4.821 -8.271 187 HE1 HIS 5 HE1 HIS 5 13.658 1.760 -5.767 188 H LEU 6 H LEU 6 6.819 1.626 -7.871 189 HA LEU 6 HA LEU 6 5.824 2.619 -10.491 190 1HB LEU 6 1HB LEU 6 4.826 0.706 -8.441 191 2HB LEU 6 2HB LEU 6 3.610 1.641 -9.312 192 HG LEU 6 HG LEU 6 4.788 0.944 -11.457 193 1HD1 LEU 6 1HD1 LEU 6 6.291 -0.655 -9.408 194 2HD1 LEU 6 2HD1 LEU 6 6.025 -1.341 -11.010 195 3HD1 LEU 6 3HD1 LEU 6 6.901 0.179 -10.837 196 1HD2 LEU 6 1HD2 LEU 6 3.464 -1.074 -9.627 197 2HD2 LEU 6 2HD2 LEU 6 2.711 -0.123 -10.908 198 3HD2 LEU 6 3HD2 LEU 6 3.830 -1.424 -11.317 199 H CYS 7 H CYS 7 6.102 4.906 -9.906 200 HA CYS 7 HA CYS 7 3.856 5.848 -8.180 201 1HB CYS 7 1HB CYS 7 6.336 5.972 -7.206 202 2HB CYS 7 2HB CYS 7 6.395 7.424 -8.204 203 H GLY 8 H GLY 8 2.641 7.386 -9.183 204 1HA GLY 8 1HA GLY 8 2.492 9.450 -10.514 205 2HA GLY 8 2HA GLY 8 3.871 8.880 -11.457 206 H SER 9 H SER 9 0.679 7.565 -10.518 207 HA SER 9 HA SER 9 -1.088 6.867 -11.929 208 1HB SER 9 1HB SER 9 0.341 8.464 -13.652 209 2HB SER 9 2HB SER 9 0.437 6.896 -14.448 210 HG SER 9 HG SER 9 -1.961 8.051 -13.459 211 H GLU 10 H GLU 10 2.177 5.752 -12.878 212 HA GLU 10 HA GLU 10 1.561 3.251 -13.928 213 1HB GLU 10 1HB GLU 10 3.756 2.510 -12.790 214 2HB GLU 10 2HB GLU 10 3.847 3.873 -13.905 215 1HG GLU 10 1HG GLU 10 3.165 4.820 -11.267 216 2HG GLU 10 2HG GLU 10 4.625 3.837 -11.190 217 H LEU 11 H LEU 11 1.178 4.328 -10.640 218 HA LEU 11 HA LEU 11 1.000 1.618 -9.544 219 1HB LEU 11 1HB LEU 11 1.737 3.729 -8.275 220 2HB LEU 11 2HB LEU 11 0.025 4.147 -8.210 221 HG LEU 11 HG LEU 11 0.831 2.891 -6.187 222 1HD1 LEU 11 1HD1 LEU 11 -1.543 2.702 -7.503 223 2HD1 LEU 11 2HD1 LEU 11 -1.056 1.007 -7.479 224 3HD1 LEU 11 3HD1 LEU 11 -1.215 1.900 -5.967 225 1HD2 LEU 11 1HD2 LEU 11 2.252 1.388 -7.929 226 2HD2 LEU 11 2HD2 LEU 11 1.773 0.801 -6.336 227 3HD2 LEU 11 3HD2 LEU 11 0.826 0.364 -7.758 228 H VAL 12 H VAL 12 -1.287 4.194 -10.457 229 HA VAL 12 HA VAL 12 -3.620 2.763 -9.555 230 HB VAL 12 HB VAL 12 -3.354 5.288 -10.137 231 1HG1 VAL 12 1HG1 VAL 12 -4.082 4.134 -12.846 232 2HG1 VAL 12 2HG1 VAL 12 -4.111 5.847 -12.428 233 3HG1 VAL 12 3HG1 VAL 12 -2.582 4.971 -12.449 234 1HG2 VAL 12 1HG2 VAL 12 -5.702 3.497 -10.687 235 2HG2 VAL 12 2HG2 VAL 12 -5.467 4.654 -9.377 236 3HG2 VAL 12 3HG2 VAL 12 -5.840 5.226 -11.004 237 H GLU 13 H GLU 13 -2.122 3.126 -12.782 238 HA GLU 13 HA GLU 13 -3.963 1.596 -14.261 239 1HB GLU 13 1HB GLU 13 -1.934 1.011 -15.707 240 2HB GLU 13 2HB GLU 13 -2.236 2.732 -15.461 241 1HG GLU 13 1HG GLU 13 -0.266 3.008 -14.400 242 2HG GLU 13 2HG GLU 13 -0.574 1.630 -13.341 243 H ALA 14 H ALA 14 -1.402 0.544 -12.074 244 HA ALA 14 HA ALA 14 -1.826 -2.286 -12.801 245 1HB ALA 14 1HB ALA 14 0.131 -0.759 -11.169 246 2HB ALA 14 2HB ALA 14 -0.240 -2.387 -10.601 247 3HB ALA 14 3HB ALA 14 0.388 -2.143 -12.231 248 H LEU 15 H LEU 15 -2.901 0.033 -10.465 249 HA LEU 15 HA LEU 15 -3.737 -1.833 -8.428 250 1HB LEU 15 1HB LEU 15 -4.004 1.037 -8.972 251 2HB LEU 15 2HB LEU 15 -5.436 0.347 -8.209 252 HG LEU 15 HG LEU 15 -2.611 -0.067 -7.194 253 1HD1 LEU 15 1HD1 LEU 15 -3.366 2.313 -7.033 254 2HD1 LEU 15 2HD1 LEU 15 -4.769 1.770 -6.114 255 3HD1 LEU 15 3HD1 LEU 15 -3.147 1.553 -5.456 256 1HD2 LEU 15 1HD2 LEU 15 -4.373 -1.804 -6.667 257 2HD2 LEU 15 2HD2 LEU 15 -3.695 -1.006 -5.247 258 3HD2 LEU 15 3HD2 LEU 15 -5.287 -0.537 -5.847 259 H GLU 16 H GLU 16 -5.154 -0.634 -11.407 260 HA GLU 16 HA GLU 16 -7.790 -1.785 -10.804 261 1HB GLU 16 1HB GLU 16 -8.402 -1.024 -13.043 262 2HB GLU 16 2HB GLU 16 -7.540 0.269 -12.209 263 1HG GLU 16 1HG GLU 16 -5.424 -0.871 -13.333 264 2HG GLU 16 2HG GLU 16 -6.630 -1.456 -14.479 265 H LEU 17 H LEU 17 -4.806 -2.928 -11.939 266 HA LEU 17 HA LEU 17 -5.883 -4.996 -13.711 267 1HB LEU 17 1HB LEU 17 -3.166 -4.304 -12.621 268 2HB LEU 17 2HB LEU 17 -3.436 -5.886 -13.353 269 HG LEU 17 HG LEU 17 -4.150 -3.281 -14.721 270 1HD1 LEU 17 1HD1 LEU 17 -1.654 -3.649 -14.206 271 2HD1 LEU 17 2HD1 LEU 17 -1.747 -5.009 -15.325 272 3HD1 LEU 17 3HD1 LEU 17 -2.087 -3.374 -15.893 273 1HD2 LEU 17 1HD2 LEU 17 -4.762 -6.006 -15.230 274 2HD2 LEU 17 2HD2 LEU 17 -5.063 -4.625 -16.284 275 3HD2 LEU 17 3HD2 LEU 17 -3.555 -5.529 -16.426 276 H VAL 18 H VAL 18 -5.258 -4.592 -10.332 277 HA VAL 18 HA VAL 18 -5.491 -7.519 -9.870 278 HB VAL 18 HB VAL 18 -5.246 -6.298 -7.385 279 1HG1 VAL 18 1HG1 VAL 18 -4.111 -8.340 -8.221 280 2HG1 VAL 18 2HG1 VAL 18 -3.041 -7.327 -9.188 281 3HG1 VAL 18 3HG1 VAL 18 -2.985 -7.238 -7.428 282 1HG2 VAL 18 1HG2 VAL 18 -4.748 -4.144 -8.573 283 2HG2 VAL 18 2HG2 VAL 18 -3.415 -4.711 -7.568 284 3HG2 VAL 18 3HG2 VAL 18 -3.355 -4.926 -9.317 285 H CYS 19 H CYS 19 -7.177 -4.479 -9.428 286 HA CYS 19 HA CYS 19 -9.242 -5.683 -7.721 287 1HB CYS 19 1HB CYS 19 -8.501 -3.241 -7.622 288 2HB CYS 19 2HB CYS 19 -9.364 -3.013 -9.142 289 H GLY 20 H GLY 20 -9.334 -4.090 -10.934 290 1HA GLY 20 1HA GLY 20 -10.288 -5.430 -12.830 291 2HA GLY 20 2HA GLY 20 -11.472 -6.047 -11.677 292 H GLU 21 H GLU 21 -13.317 -5.231 -12.700 293 HA GLU 21 HA GLU 21 -13.436 -2.357 -13.367 294 1HB GLU 21 1HB GLU 21 -14.638 -4.608 -14.441 295 2HB GLU 21 2HB GLU 21 -15.942 -3.879 -13.501 296 1HG GLU 21 1HG GLU 21 -14.527 -1.797 -14.878 297 2HG GLU 21 2HG GLU 21 -14.955 -3.054 -16.039 298 H ARG 22 H ARG 22 -13.304 -3.547 -10.525 299 HA ARG 22 HA ARG 22 -15.891 -2.624 -9.423 300 1HB ARG 22 1HB ARG 22 -13.472 -4.005 -8.267 301 2HB ARG 22 2HB ARG 22 -14.700 -3.294 -7.220 302 1HG ARG 22 1HG ARG 22 -16.411 -4.625 -8.603 303 2HG ARG 22 2HG ARG 22 -15.028 -5.523 -9.231 304 1HD ARG 22 1HD ARG 22 -14.660 -6.600 -7.250 305 2HD ARG 22 2HD ARG 22 -15.102 -5.190 -6.288 306 HE ARG 22 HE ARG 22 -17.506 -6.019 -7.383 307 1HH1 ARG 22 1HH1 ARG 22 -14.947 -7.474 -5.576 308 2HH1 ARG 22 2HH1 ARG 22 -15.981 -8.618 -4.790 309 1HH2 ARG 22 1HH2 ARG 22 -18.862 -7.506 -6.362 310 2HH2 ARG 22 2HH2 ARG 22 -18.194 -8.636 -5.232 311 H GLY 23 H GLY 23 -12.430 -1.791 -9.254 312 1HA GLY 23 1HA GLY 23 -11.752 0.562 -9.225 313 2HA GLY 23 2HA GLY 23 -13.258 0.942 -8.388 314 H PHE 24 H PHE 24 -10.644 1.682 -7.440 315 HA PHE 24 HA PHE 24 -10.659 0.164 -4.873 316 1HB PHE 24 1HB PHE 24 -8.055 0.713 -4.983 317 2HB PHE 24 2HB PHE 24 -8.710 -0.750 -5.717 318 HD1 PHE 24 HD1 PHE 24 -9.214 -0.789 -8.182 319 HD2 PHE 24 HD2 PHE 24 -7.104 2.452 -6.314 320 HE1 PHE 24 HE1 PHE 24 -8.394 -0.044 -10.401 321 HE2 PHE 24 HE2 PHE 24 -6.285 3.198 -8.533 322 HZ PHE 24 HZ PHE 24 -6.929 1.948 -10.575 323 H PHE 25 H PHE 25 -9.126 1.506 -3.269 324 HA PHE 25 HA PHE 25 -10.151 4.296 -3.399 325 1HB PHE 25 1HB PHE 25 -10.128 2.459 -1.339 326 2HB PHE 25 2HB PHE 25 -8.732 3.468 -0.963 327 HD1 PHE 25 HD1 PHE 25 -12.386 3.453 -1.530 328 HD2 PHE 25 HD2 PHE 25 -8.980 5.798 -0.367 329 HE1 PHE 25 HE1 PHE 25 -13.897 5.242 -0.712 330 HE2 PHE 25 HE2 PHE 25 -10.491 7.587 0.451 331 HZ PHE 25 HZ PHE 25 -12.950 7.308 0.280 332 H TYR 26 H TYR 26 -8.348 4.529 -5.128 333 HA TYR 26 HA TYR 26 -6.045 5.785 -3.799 334 1HB TYR 26 1HB TYR 26 -5.291 3.449 -4.075 335 2HB TYR 26 2HB TYR 26 -5.666 3.530 -5.795 336 HD1 TYR 26 HD1 TYR 26 -3.555 5.052 -3.123 337 HD2 TYR 26 HD2 TYR 26 -4.146 4.487 -7.340 338 HE1 TYR 26 HE1 TYR 26 -1.328 6.047 -3.571 339 HE2 TYR 26 HE2 TYR 26 -1.920 5.481 -7.787 340 HH TYR 26 HH TYR 26 0.427 5.760 -5.660 341 H GLU 27 H GLU 27 -7.352 7.557 -4.826 342 HA GLU 27 HA GLU 27 -6.180 8.326 -7.359 343 1HB GLU 27 1HB GLU 27 -8.396 8.478 -8.575 344 2HB GLU 27 2HB GLU 27 -7.814 6.832 -8.319 345 1HG GLU 27 1HG GLU 27 -9.476 7.915 -6.128 346 2HG GLU 27 2HG GLU 27 -10.324 7.676 -7.656 347 HA PRO 28 HA PRO 28 -7.267 11.836 -4.670 348 1HB PRO 28 1HB PRO 28 -5.390 13.383 -6.189 349 2HB PRO 28 2HB PRO 28 -5.208 12.776 -4.537 350 1HG PRO 28 1HG PRO 28 -3.886 11.840 -6.923 351 2HG PRO 28 2HG PRO 28 -3.683 11.260 -5.264 352 1HD PRO 28 1HD PRO 28 -5.010 9.930 -7.436 353 2HD PRO 28 2HD PRO 28 -4.838 9.371 -5.762 354 H LYS 29 H LYS 29 -7.120 11.493 -8.151 355 HA LYS 29 HA LYS 29 -8.704 13.967 -8.549 356 1HB LYS 29 1HB LYS 29 -8.401 13.499 -10.955 357 2HB LYS 29 2HB LYS 29 -6.850 13.504 -10.114 358 1HG LYS 29 1HG LYS 29 -6.475 11.431 -10.907 359 2HG LYS 29 2HG LYS 29 -7.825 10.860 -9.924 360 1HD LYS 29 1HD LYS 29 -9.317 11.721 -11.870 361 2HD LYS 29 2HD LYS 29 -7.829 11.703 -12.817 362 1HE LYS 29 1HE LYS 29 -9.311 9.403 -11.579 363 2HE LYS 29 2HE LYS 29 -8.652 9.555 -13.208 364 1HZ LYS 29 1HZ LYS 29 -6.419 9.728 -11.857 365 2HZ LYS 29 2HZ LYS 29 -7.304 8.842 -10.713 366 3HZ LYS 29 3HZ LYS 29 -7.085 8.225 -12.281 Start of MODEL 12 1 1H GLY 1 1H GLY 1 0.314 0.109 1.950 2 2H GLY 1 2H GLY 1 1.155 0.244 3.420 3 3H GLY 1 3H GLY 1 0.178 1.522 2.883 4 1HA GLY 1 1HA GLY 1 2.074 2.395 2.117 5 2HA GLY 1 2HA GLY 1 2.885 0.829 2.150 6 H ILE 2 H ILE 2 -0.097 1.846 0.471 7 HA ILE 2 HA ILE 2 0.396 0.371 -1.881 8 HB ILE 2 HB ILE 2 -1.791 1.347 -1.427 9 1HG1 ILE 2 1HG1 ILE 2 -0.510 2.562 -3.898 10 2HG1 ILE 2 2HG1 ILE 2 -1.185 0.936 -3.788 11 1HG2 ILE 2 1HG2 ILE 2 -0.753 3.442 -0.384 12 2HG2 ILE 2 2HG2 ILE 2 -0.584 4.052 -2.030 13 3HG2 ILE 2 3HG2 ILE 2 -2.186 3.696 -1.381 14 1HD1 ILE 2 1HD1 ILE 2 -3.110 2.866 -2.834 15 2HD1 ILE 2 2HD1 ILE 2 -2.564 3.308 -4.453 16 3HD1 ILE 2 3HD1 ILE 2 -3.262 1.714 -4.161 17 H VAL 3 H VAL 3 1.193 3.785 -1.181 18 HA VAL 3 HA VAL 3 2.705 3.946 -3.714 19 HB VAL 3 HB VAL 3 2.143 5.973 -1.530 20 1HG1 VAL 3 1HG1 VAL 3 4.382 6.259 -2.685 21 2HG1 VAL 3 2HG1 VAL 3 3.497 6.447 -4.198 22 3HG1 VAL 3 3HG1 VAL 3 3.268 7.609 -2.891 23 1HG2 VAL 3 1HG2 VAL 3 1.075 5.440 -4.304 24 2HG2 VAL 3 2HG2 VAL 3 0.174 5.654 -2.803 25 3HG2 VAL 3 3HG2 VAL 3 0.947 7.040 -3.573 26 H GLU 4 H GLU 4 3.317 3.952 -0.212 27 HA GLU 4 HA GLU 4 6.146 4.429 -0.434 28 1HB GLU 4 1HB GLU 4 4.879 2.798 1.753 29 2HB GLU 4 2HB GLU 4 6.255 3.893 1.862 30 1HG GLU 4 1HG GLU 4 4.621 5.758 1.210 31 2HG GLU 4 2HG GLU 4 3.336 4.599 1.551 32 H GLN 5 H GLN 5 4.273 1.779 -1.363 33 HA GLN 5 HA GLN 5 6.538 -0.120 -0.972 34 1HB GLN 5 1HB GLN 5 3.617 -0.572 -1.632 35 2HB GLN 5 2HB GLN 5 4.822 -1.857 -1.589 36 1HG GLN 5 1HG GLN 5 5.259 -1.488 0.744 37 2HG GLN 5 2HG GLN 5 4.312 0.001 0.746 38 1HE2 GLN 5 2HE2 GLN 5 3.578 -3.277 -0.578 39 2HE2 GLN 5 1HE2 GLN 5 2.122 -3.454 0.275 40 H CYS 6 H CYS 6 4.281 1.032 -3.516 41 HA CYS 6 HA CYS 6 6.019 -0.289 -5.526 42 1HB CYS 6 1HB CYS 6 3.307 -0.101 -5.395 43 2HB CYS 6 2HB CYS 6 3.681 1.258 -6.458 44 H CYS 7 H CYS 7 4.963 2.956 -4.547 45 HA CYS 7 HA CYS 7 6.361 4.222 -6.775 46 1HB CYS 7 1HB CYS 7 4.486 5.425 -5.855 47 2HB CYS 7 2HB CYS 7 5.162 5.348 -4.229 48 H HIS 8 H HIS 8 7.036 3.698 -3.302 49 HA HIS 8 HA HIS 8 9.623 5.043 -3.483 50 1HB HIS 8 1HB HIS 8 8.489 3.205 -1.349 51 2HB HIS 8 2HB HIS 8 9.964 4.160 -1.191 52 HD1 HIS 8 HD1 HIS 8 8.606 5.335 0.848 53 HD2 HIS 8 HD2 HIS 8 7.178 6.105 -2.993 54 HE1 HIS 8 HE1 HIS 8 7.095 7.361 1.037 55 H SER 9 H SER 9 8.406 1.749 -3.692 56 HA SER 9 HA SER 9 11.112 0.900 -4.613 57 1HB SER 9 1HB SER 9 10.269 -1.378 -3.434 58 2HB SER 9 2HB SER 9 11.245 -0.178 -2.590 59 HG SER 9 HG SER 9 8.820 -1.011 -1.989 60 H ILE 10 H ILE 10 10.871 -1.339 -5.754 61 HA ILE 10 HA ILE 10 8.669 -1.059 -7.679 62 HB ILE 10 HB ILE 10 10.888 -3.120 -7.505 63 1HG1 ILE 10 1HG1 ILE 10 11.188 -1.320 -9.686 64 2HG1 ILE 10 2HG1 ILE 10 10.893 -0.344 -8.249 65 1HG2 ILE 10 1HG2 ILE 10 8.651 -3.500 -8.874 66 2HG2 ILE 10 2HG2 ILE 10 9.418 -2.392 -10.012 67 3HG2 ILE 10 3HG2 ILE 10 10.215 -3.906 -9.581 68 1HD1 ILE 10 1HD1 ILE 10 12.685 -2.471 -7.553 69 2HD1 ILE 10 2HD1 ILE 10 13.302 -1.664 -8.995 70 3HD1 ILE 10 3HD1 ILE 10 12.987 -0.734 -7.529 71 H CYS 11 H CYS 11 6.734 -2.032 -7.344 72 HA CYS 11 HA CYS 11 6.679 -4.449 -5.592 73 1HB CYS 11 1HB CYS 11 4.546 -3.827 -4.852 74 2HB CYS 11 2HB CYS 11 5.342 -2.268 -5.030 75 H SER 12 H SER 12 3.999 -5.187 -6.454 76 HA SER 12 HA SER 12 4.332 -5.784 -9.338 77 1HB SER 12 1HB SER 12 3.628 -8.237 -8.627 78 2HB SER 12 2HB SER 12 5.322 -7.756 -8.618 79 HG SER 12 HG SER 12 4.989 -8.601 -6.638 80 H LEU 13 H LEU 13 2.224 -7.590 -7.197 81 HA LEU 13 HA LEU 13 -0.064 -5.814 -7.760 82 1HB LEU 13 1HB LEU 13 0.316 -8.530 -8.984 83 2HB LEU 13 2HB LEU 13 -1.311 -7.990 -8.567 84 HG LEU 13 HG LEU 13 0.603 -6.344 -10.237 85 1HD1 LEU 13 1HD1 LEU 13 -0.232 -8.673 -11.149 86 2HD1 LEU 13 2HD1 LEU 13 -1.756 -7.814 -11.370 87 3HD1 LEU 13 3HD1 LEU 13 -0.299 -7.249 -12.186 88 1HD2 LEU 13 1HD2 LEU 13 -1.954 -5.872 -9.000 89 2HD2 LEU 13 2HD2 LEU 13 -0.978 -4.761 -9.961 90 3HD2 LEU 13 3HD2 LEU 13 -2.143 -5.824 -10.753 91 H TYR 14 H TYR 14 1.140 -8.832 -6.327 92 HA TYR 14 HA TYR 14 -0.969 -9.606 -4.711 93 1HB TYR 14 1HB TYR 14 1.998 -9.567 -4.282 94 2HB TYR 14 2HB TYR 14 0.951 -10.016 -2.936 95 HD1 TYR 14 HD1 TYR 14 1.091 -10.674 -6.635 96 HD2 TYR 14 HD2 TYR 14 0.596 -12.295 -2.688 97 HE1 TYR 14 HE1 TYR 14 0.817 -12.941 -7.601 98 HE2 TYR 14 HE2 TYR 14 0.322 -14.561 -3.654 99 HH TYR 14 HH TYR 14 1.093 -15.719 -5.870 100 H GLN 15 H GLN 15 1.025 -6.737 -4.380 101 HA GLN 15 HA GLN 15 -0.026 -6.087 -1.723 102 1HB GLN 15 1HB GLN 15 1.448 -4.256 -3.635 103 2HB GLN 15 2HB GLN 15 1.310 -4.094 -1.883 104 1HG GLN 15 1HG GLN 15 2.583 -6.512 -3.176 105 2HG GLN 15 2HG GLN 15 3.512 -5.071 -2.757 106 1HE2 GLN 15 2HE2 GLN 15 1.766 -7.835 -1.420 107 2HE2 GLN 15 1HE2 GLN 15 2.255 -7.595 0.188 108 H LEU 16 H LEU 16 -0.563 -5.018 -5.071 109 HA LEU 16 HA LEU 16 -2.471 -2.964 -4.341 110 1HB LEU 16 1HB LEU 16 -2.182 -4.398 -6.997 111 2HB LEU 16 2HB LEU 16 -2.943 -2.831 -6.719 112 HG LEU 16 HG LEU 16 -0.015 -3.525 -6.367 113 1HD1 LEU 16 1HD1 LEU 16 -1.256 -2.866 -8.650 114 2HD1 LEU 16 2HD1 LEU 16 -1.030 -1.243 -8.001 115 3HD1 LEU 16 3HD1 LEU 16 0.366 -2.286 -8.273 116 1HD2 LEU 16 1HD2 LEU 16 -1.692 -1.335 -5.269 117 2HD2 LEU 16 2HD2 LEU 16 -0.170 -1.996 -4.669 118 3HD2 LEU 16 3HD2 LEU 16 -0.166 -0.837 -5.999 119 H GLU 17 H GLU 17 -2.671 -6.278 -4.117 120 HA GLU 17 HA GLU 17 -5.451 -6.564 -5.008 121 1HB GLU 17 1HB GLU 17 -3.457 -8.357 -4.791 122 2HB GLU 17 2HB GLU 17 -4.209 -8.590 -3.213 123 1HG GLU 17 1HG GLU 17 -6.184 -8.393 -5.356 124 2HG GLU 17 2HG GLU 17 -5.061 -9.730 -5.605 125 H ASN 18 H ASN 18 -3.753 -5.813 -2.052 126 HA ASN 18 HA ASN 18 -6.054 -6.384 -0.332 127 1HB ASN 18 1HB ASN 18 -3.980 -4.540 0.692 128 2HB ASN 18 2HB ASN 18 -4.642 -6.003 1.418 129 1HD2 ASN 18 2HD2 ASN 18 -3.704 -8.097 0.707 130 2HD2 ASN 18 1HD2 ASN 18 -2.160 -8.145 0.003 131 H TYR 19 H TYR 19 -5.234 -3.901 -2.468 132 HA TYR 19 HA TYR 19 -6.769 -1.860 -0.943 133 1HB TYR 19 1HB TYR 19 -5.456 -1.429 -3.620 134 2HB TYR 19 2HB TYR 19 -5.805 -0.241 -2.362 135 HD1 TYR 19 HD1 TYR 19 -4.837 -2.175 -0.076 136 HD2 TYR 19 HD2 TYR 19 -3.088 -0.803 -3.751 137 HE1 TYR 19 HE1 TYR 19 -2.572 -2.522 0.872 138 HE2 TYR 19 HE2 TYR 19 -0.823 -1.149 -2.804 139 HH TYR 19 HH TYR 19 0.331 -2.110 -1.106 140 H CYS 20 H CYS 20 -7.770 -4.337 -2.545 141 HA CYS 20 HA CYS 20 -9.373 -3.032 -4.647 142 1HB CYS 20 1HB CYS 20 -8.518 -5.248 -5.141 143 2HB CYS 20 2HB CYS 20 -9.237 -5.898 -3.668 144 H ASN 21 H ASN 21 -11.084 -1.866 -3.895 145 HA ASN 21 HA ASN 21 -12.427 -2.393 -1.407 146 1HB ASN 21 1HB ASN 21 -12.632 -0.176 -2.189 147 2HB ASN 21 2HB ASN 21 -13.045 -0.692 -3.821 148 1HD2 ASN 21 2HD2 ASN 21 -15.208 -0.455 -4.295 149 2HD2 ASN 21 1HD2 ASN 21 -16.478 -0.533 -3.170 150 1H GLU 1 1H GLU 1 18.273 0.344 -11.030 151 2H GLU 1 2H GLU 1 17.663 1.202 -9.700 152 3H GLU 1 3H GLU 1 19.200 1.578 -10.321 153 HA GLU 1 HA GLU 1 20.214 -0.134 -9.296 154 1HB GLU 1 1HB GLU 1 18.711 1.211 -7.632 155 2HB GLU 1 2HB GLU 1 17.745 -0.264 -7.580 156 1HG GLU 1 1HG GLU 1 19.409 -1.488 -6.548 157 2HG GLU 1 2HG GLU 1 20.704 -0.528 -7.266 158 H VAL 2 H VAL 2 16.997 -0.888 -10.405 159 HA VAL 2 HA VAL 2 17.747 -3.559 -11.144 160 HB VAL 2 HB VAL 2 17.574 -4.325 -8.953 161 1HG1 VAL 2 1HG1 VAL 2 15.774 -1.989 -8.666 162 2HG1 VAL 2 2HG1 VAL 2 15.407 -3.366 -7.628 163 3HG1 VAL 2 3HG1 VAL 2 16.999 -2.612 -7.561 164 1HG2 VAL 2 1HG2 VAL 2 15.533 -5.059 -10.647 165 2HG2 VAL 2 2HG2 VAL 2 15.851 -5.809 -9.082 166 3HG2 VAL 2 3HG2 VAL 2 14.640 -4.534 -9.220 167 H ASN 3 H ASN 3 14.558 -2.782 -9.841 168 HA ASN 3 HA ASN 3 13.504 -2.877 -12.620 169 1HB ASN 3 1HB ASN 3 12.641 -3.977 -10.107 170 2HB ASN 3 2HB ASN 3 11.399 -2.879 -10.706 171 1HD2 ASN 3 2HD2 ASN 3 11.904 -3.278 -13.544 172 2HD2 ASN 3 1HD2 ASN 3 11.427 -4.861 -13.927 173 H GLN 4 H GLN 4 11.025 -1.605 -11.992 174 HA GLN 4 HA GLN 4 11.937 1.181 -11.403 175 1HB GLN 4 1HB GLN 4 11.200 0.373 -13.873 176 2HB GLN 4 2HB GLN 4 9.615 0.791 -13.220 177 1HG GLN 4 1HG GLN 4 11.534 2.819 -12.490 178 2HG GLN 4 2HG GLN 4 11.564 2.566 -14.235 179 1HE2 GLN 4 2HE2 GLN 4 9.798 4.037 -11.671 180 2HE2 GLN 4 1HE2 GLN 4 8.422 4.468 -12.566 181 H HIS 5 H HIS 5 10.692 2.283 -9.935 182 HA HIS 5 HA HIS 5 8.551 0.802 -8.579 183 1HB HIS 5 1HB HIS 5 8.969 3.654 -7.892 184 2HB HIS 5 2HB HIS 5 8.876 2.247 -6.836 185 HD1 HIS 5 HD1 HIS 5 11.100 0.727 -6.736 186 HD2 HIS 5 HD2 HIS 5 11.563 4.502 -8.442 187 HE1 HIS 5 HE1 HIS 5 13.588 1.196 -6.772 188 H LEU 6 H LEU 6 6.376 1.110 -8.916 189 HA LEU 6 HA LEU 6 5.516 2.767 -11.136 190 1HB LEU 6 1HB LEU 6 4.146 1.009 -9.132 191 2HB LEU 6 2HB LEU 6 3.180 2.157 -10.056 192 HG LEU 6 HG LEU 6 4.593 1.148 -12.072 193 1HD1 LEU 6 1HD1 LEU 6 5.343 -0.505 -9.909 194 2HD1 LEU 6 2HD1 LEU 6 4.243 -1.467 -10.897 195 3HD1 LEU 6 3HD1 LEU 6 5.692 -0.765 -11.617 196 1HD2 LEU 6 1HD2 LEU 6 2.056 0.316 -10.746 197 2HD2 LEU 6 2HD2 LEU 6 2.316 0.961 -12.366 198 3HD2 LEU 6 3HD2 LEU 6 2.670 -0.733 -12.023 199 H CYS 7 H CYS 7 5.414 4.955 -10.938 200 HA CYS 7 HA CYS 7 3.917 6.099 -8.674 201 1HB CYS 7 1HB CYS 7 6.524 5.923 -8.205 202 2HB CYS 7 2HB CYS 7 6.576 7.358 -9.229 203 H GLY 8 H GLY 8 3.078 8.174 -9.177 204 1HA GLY 8 1HA GLY 8 2.979 10.170 -10.583 205 2HA GLY 8 2HA GLY 8 3.738 9.245 -11.880 206 H SER 9 H SER 9 1.094 8.048 -9.882 207 HA SER 9 HA SER 9 -1.174 7.661 -10.421 208 1HB SER 9 1HB SER 9 -0.846 9.928 -11.705 209 2HB SER 9 2HB SER 9 -0.767 8.897 -13.132 210 HG SER 9 HG SER 9 -2.811 8.419 -11.297 211 H GLU 10 H GLU 10 1.506 6.374 -11.756 212 HA GLU 10 HA GLU 10 0.193 4.806 -13.869 213 1HB GLU 10 1HB GLU 10 2.313 3.995 -14.417 214 2HB GLU 10 2HB GLU 10 2.700 5.582 -13.764 215 1HG GLU 10 1HG GLU 10 3.296 4.623 -11.619 216 2HG GLU 10 2HG GLU 10 2.747 3.028 -12.136 217 H LEU 11 H LEU 11 1.023 4.510 -10.493 218 HA LEU 11 HA LEU 11 0.695 1.639 -10.323 219 1HB LEU 11 1HB LEU 11 1.882 2.903 -8.569 220 2HB LEU 11 2HB LEU 11 0.396 3.775 -8.187 221 HG LEU 11 HG LEU 11 -0.618 1.376 -7.895 222 1HD1 LEU 11 1HD1 LEU 11 2.275 0.897 -8.185 223 2HD1 LEU 11 2HD1 LEU 11 1.551 0.127 -6.772 224 3HD1 LEU 11 3HD1 LEU 11 0.923 -0.218 -8.384 225 1HD2 LEU 11 1HD2 LEU 11 0.753 3.213 -6.135 226 2HD2 LEU 11 2HD2 LEU 11 -0.656 2.205 -5.800 227 3HD2 LEU 11 3HD2 LEU 11 0.968 1.559 -5.562 228 H VAL 12 H VAL 12 -1.453 4.398 -10.310 229 HA VAL 12 HA VAL 12 -3.750 3.012 -9.225 230 HB VAL 12 HB VAL 12 -3.486 5.525 -9.332 231 1HG1 VAL 12 1HG1 VAL 12 -3.033 4.961 -12.054 232 2HG1 VAL 12 2HG1 VAL 12 -4.592 5.782 -11.995 233 3HG1 VAL 12 3HG1 VAL 12 -3.162 6.553 -11.309 234 1HG2 VAL 12 1HG2 VAL 12 -5.849 3.946 -10.190 235 2HG2 VAL 12 2HG2 VAL 12 -5.681 5.076 -8.846 236 3HG2 VAL 12 3HG2 VAL 12 -5.943 5.684 -10.482 237 H GLU 13 H GLU 13 -2.291 3.286 -12.392 238 HA GLU 13 HA GLU 13 -4.585 2.362 -13.891 239 1HB GLU 13 1HB GLU 13 -1.677 2.768 -14.411 240 2HB GLU 13 2HB GLU 13 -2.519 1.629 -15.463 241 1HG GLU 13 1HG GLU 13 -3.531 4.427 -14.894 242 2HG GLU 13 2HG GLU 13 -2.532 4.020 -16.291 243 H ALA 14 H ALA 14 -1.891 0.811 -12.231 244 HA ALA 14 HA ALA 14 -2.673 -1.864 -13.177 245 1HB ALA 14 1HB ALA 14 -0.305 -0.780 -12.201 246 2HB ALA 14 2HB ALA 14 -0.892 -1.750 -10.850 247 3HB ALA 14 3HB ALA 14 -0.628 -2.500 -12.423 248 H LEU 15 H LEU 15 -3.326 0.281 -10.551 249 HA LEU 15 HA LEU 15 -4.183 -1.638 -8.595 250 1HB LEU 15 1HB LEU 15 -4.386 1.278 -9.007 251 2HB LEU 15 2HB LEU 15 -5.727 0.581 -8.100 252 HG LEU 15 HG LEU 15 -2.860 -0.088 -7.431 253 1HD1 LEU 15 1HD1 LEU 15 -3.621 2.472 -7.374 254 2HD1 LEU 15 2HD1 LEU 15 -4.364 1.960 -5.859 255 3HD1 LEU 15 3HD1 LEU 15 -2.625 1.780 -6.094 256 1HD2 LEU 15 1HD2 LEU 15 -5.335 -1.048 -6.568 257 2HD2 LEU 15 2HD2 LEU 15 -3.794 -1.263 -5.737 258 3HD2 LEU 15 3HD2 LEU 15 -4.851 0.080 -5.300 259 H GLU 16 H GLU 16 -5.610 -0.355 -11.489 260 HA GLU 16 HA GLU 16 -8.306 -1.332 -10.774 261 1HB GLU 16 1HB GLU 16 -8.868 -0.518 -13.102 262 2HB GLU 16 2HB GLU 16 -8.249 0.735 -12.026 263 1HG GLU 16 1HG GLU 16 -6.099 0.695 -13.041 264 2HG GLU 16 2HG GLU 16 -6.433 -0.828 -13.868 265 H LEU 17 H LEU 17 -5.442 -2.465 -12.267 266 HA LEU 17 HA LEU 17 -6.656 -4.372 -14.084 267 1HB LEU 17 1HB LEU 17 -3.938 -3.745 -13.096 268 2HB LEU 17 2HB LEU 17 -4.203 -5.441 -13.501 269 HG LEU 17 HG LEU 17 -5.146 -4.689 -15.712 270 1HD1 LEU 17 1HD1 LEU 17 -5.594 -2.329 -14.790 271 2HD1 LEU 17 2HD1 LEU 17 -3.877 -2.028 -15.053 272 3HD1 LEU 17 3HD1 LEU 17 -4.921 -2.430 -16.417 273 1HD2 LEU 17 1HD2 LEU 17 -2.694 -5.354 -15.228 274 2HD2 LEU 17 2HD2 LEU 17 -3.009 -4.466 -16.720 275 3HD2 LEU 17 3HD2 LEU 17 -2.345 -3.628 -15.317 276 H VAL 18 H VAL 18 -6.023 -4.248 -10.687 277 HA VAL 18 HA VAL 18 -6.485 -7.163 -10.408 278 HB VAL 18 HB VAL 18 -6.229 -6.172 -7.852 279 1HG1 VAL 18 1HG1 VAL 18 -5.103 -8.142 -8.842 280 2HG1 VAL 18 2HG1 VAL 18 -4.010 -7.064 -9.710 281 3HG1 VAL 18 3HG1 VAL 18 -3.969 -7.129 -7.948 282 1HG2 VAL 18 1HG2 VAL 18 -5.670 -3.922 -8.851 283 2HG2 VAL 18 2HG2 VAL 18 -4.404 -4.590 -7.820 284 3HG2 VAL 18 3HG2 VAL 18 -4.245 -4.668 -9.575 285 H CYS 19 H CYS 19 -7.686 -4.164 -8.851 286 HA CYS 19 HA CYS 19 -10.178 -5.549 -8.129 287 1HB CYS 19 1HB CYS 19 -8.863 -3.705 -6.784 288 2HB CYS 19 2HB CYS 19 -9.732 -2.592 -7.839 289 H GLY 20 H GLY 20 -9.455 -2.497 -9.832 290 1HA GLY 20 1HA GLY 20 -10.814 -1.336 -11.397 291 2HA GLY 20 2HA GLY 20 -10.537 -2.825 -12.294 292 H GLU 21 H GLU 21 -12.185 -4.388 -12.375 293 HA GLU 21 HA GLU 21 -14.779 -3.738 -12.752 294 1HB GLU 21 1HB GLU 21 -13.625 -6.072 -12.791 295 2HB GLU 21 2HB GLU 21 -14.241 -6.222 -11.144 296 1HG GLU 21 1HG GLU 21 -16.460 -5.298 -12.425 297 2HG GLU 21 2HG GLU 21 -15.708 -6.240 -13.713 298 H ARG 22 H ARG 22 -13.457 -4.439 -9.502 299 HA ARG 22 HA ARG 22 -16.062 -3.746 -8.301 300 1HB ARG 22 1HB ARG 22 -13.427 -4.683 -7.147 301 2HB ARG 22 2HB ARG 22 -14.795 -4.213 -6.138 302 1HG ARG 22 1HG ARG 22 -15.778 -5.965 -8.164 303 2HG ARG 22 2HG ARG 22 -14.348 -6.715 -7.456 304 1HD ARG 22 1HD ARG 22 -16.205 -7.413 -6.113 305 2HD ARG 22 2HD ARG 22 -15.349 -6.189 -5.175 306 HE ARG 22 HE ARG 22 -17.261 -4.740 -6.557 307 1HH1 ARG 22 1HH1 ARG 22 -17.240 -7.527 -4.516 308 2HH1 ARG 22 2HH1 ARG 22 -18.820 -7.229 -3.876 309 1HH2 ARG 22 1HH2 ARG 22 -19.324 -4.343 -5.724 310 2HH2 ARG 22 2HH2 ARG 22 -19.998 -5.432 -4.558 311 H GLY 23 H GLY 23 -12.729 -2.470 -8.355 312 1HA GLY 23 1HA GLY 23 -12.454 -0.014 -8.520 313 2HA GLY 23 2HA GLY 23 -13.873 0.153 -7.488 314 H PHE 24 H PHE 24 -11.198 1.245 -7.005 315 HA PHE 24 HA PHE 24 -10.727 -0.046 -4.360 316 1HB PHE 24 1HB PHE 24 -8.235 0.482 -4.769 317 2HB PHE 24 2HB PHE 24 -8.910 -0.908 -5.619 318 HD1 PHE 24 HD1 PHE 24 -9.618 -0.672 -8.023 319 HD2 PHE 24 HD2 PHE 24 -7.428 2.390 -5.955 320 HE1 PHE 24 HE1 PHE 24 -8.999 0.350 -10.195 321 HE2 PHE 24 HE2 PHE 24 -6.808 3.412 -8.128 322 HZ PHE 24 HZ PHE 24 -7.593 2.392 -10.247 323 H PHE 25 H PHE 25 -9.352 1.494 -2.951 324 HA PHE 25 HA PHE 25 -10.249 4.294 -3.496 325 1HB PHE 25 1HB PHE 25 -11.255 3.277 -1.480 326 2HB PHE 25 2HB PHE 25 -9.642 2.957 -0.841 327 HD1 PHE 25 HD1 PHE 25 -11.805 5.742 -2.100 328 HD2 PHE 25 HD2 PHE 25 -8.536 4.589 0.437 329 HE1 PHE 25 HE1 PHE 25 -11.717 8.040 -1.169 330 HE2 PHE 25 HE2 PHE 25 -8.448 6.886 1.368 331 HZ PHE 25 HZ PHE 25 -10.039 8.611 0.565 332 H TYR 26 H TYR 26 -8.283 4.679 -4.750 333 HA TYR 26 HA TYR 26 -5.816 4.809 -3.065 334 1HB TYR 26 1HB TYR 26 -5.422 3.399 -4.969 335 2HB TYR 26 2HB TYR 26 -6.183 4.557 -6.060 336 HD1 TYR 26 HD1 TYR 26 -4.045 5.701 -3.306 337 HD2 TYR 26 HD2 TYR 26 -4.178 4.710 -7.483 338 HE1 TYR 26 HE1 TYR 26 -1.862 6.827 -3.641 339 HE2 TYR 26 HE2 TYR 26 -1.993 5.835 -7.819 340 HH TYR 26 HH TYR 26 0.123 6.405 -5.720 341 H GLU 27 H GLU 27 -6.166 6.498 -6.109 342 HA GLU 27 HA GLU 27 -6.734 9.058 -4.741 343 1HB GLU 27 1HB GLU 27 -4.140 8.430 -4.942 344 2HB GLU 27 2HB GLU 27 -4.376 9.057 -6.575 345 1HG GLU 27 1HG GLU 27 -3.836 11.012 -5.439 346 2HG GLU 27 2HG GLU 27 -5.595 11.029 -5.304 347 HA PRO 28 HA PRO 28 -8.686 8.361 -8.927 348 1HB PRO 28 1HB PRO 28 -11.046 9.575 -7.827 349 2HB PRO 28 2HB PRO 28 -10.822 7.894 -8.329 350 1HG PRO 28 1HG PRO 28 -11.015 8.925 -5.644 351 2HG PRO 28 2HG PRO 28 -10.812 7.243 -6.153 352 1HD PRO 28 1HD PRO 28 -8.857 8.952 -4.927 353 2HD PRO 28 2HD PRO 28 -8.647 7.278 -5.473 354 H LYS 29 H LYS 29 -8.298 11.009 -6.699 355 HA LYS 29 HA LYS 29 -9.029 13.021 -8.736 356 1HB LYS 29 1HB LYS 29 -8.637 14.656 -6.969 357 2HB LYS 29 2HB LYS 29 -9.630 13.345 -6.329 358 1HG LYS 29 1HG LYS 29 -6.934 12.558 -5.962 359 2HG LYS 29 2HG LYS 29 -7.043 14.237 -5.433 360 1HD LYS 29 1HD LYS 29 -9.322 12.614 -4.560 361 2HD LYS 29 2HD LYS 29 -7.782 12.035 -3.926 362 1HE LYS 29 1HE LYS 29 -7.271 14.377 -3.186 363 2HE LYS 29 2HE LYS 29 -8.896 14.844 -3.689 364 1HZ LYS 29 1HZ LYS 29 -8.997 12.524 -2.077 365 2HZ LYS 29 2HZ LYS 29 -8.142 13.748 -1.266 366 3HZ LYS 29 3HZ LYS 29 -9.720 14.038 -1.815 Start of MODEL 13 1 1H GLY 1 1H GLY 1 1.620 -0.107 2.522 2 2H GLY 1 2H GLY 1 1.373 0.600 4.048 3 3H GLY 1 3H GLY 1 0.118 -0.262 3.295 4 1HA GLY 1 1HA GLY 1 -0.456 1.954 2.946 5 2HA GLY 1 2HA GLY 1 1.216 2.387 2.586 6 H ILE 2 H ILE 2 1.741 2.511 0.453 7 HA ILE 2 HA ILE 2 0.938 0.668 -1.550 8 HB ILE 2 HB ILE 2 -1.316 1.645 -1.124 9 1HG1 ILE 2 1HG1 ILE 2 -0.124 2.399 -3.813 10 2HG1 ILE 2 2HG1 ILE 2 -0.682 0.785 -3.371 11 1HG2 ILE 2 1HG2 ILE 2 -0.310 3.932 -0.546 12 2HG2 ILE 2 2HG2 ILE 2 -0.193 4.198 -2.284 13 3HG2 ILE 2 3HG2 ILE 2 -1.770 3.944 -1.535 14 1HD1 ILE 2 1HD1 ILE 2 -2.785 2.564 -2.713 15 2HD1 ILE 2 2HD1 ILE 2 -2.227 3.023 -4.322 16 3HD1 ILE 2 3HD1 ILE 2 -2.757 1.370 -4.011 17 H VAL 3 H VAL 3 1.642 4.110 -0.938 18 HA VAL 3 HA VAL 3 3.096 4.327 -3.492 19 HB VAL 3 HB VAL 3 2.495 6.227 -1.222 20 1HG1 VAL 3 1HG1 VAL 3 4.862 6.582 -1.965 21 2HG1 VAL 3 2HG1 VAL 3 4.273 6.809 -3.614 22 3HG1 VAL 3 3HG1 VAL 3 3.811 7.947 -2.348 23 1HG2 VAL 3 1HG2 VAL 3 1.045 5.576 -3.397 24 2HG2 VAL 3 2HG2 VAL 3 1.035 7.200 -2.710 25 3HG2 VAL 3 3HG2 VAL 3 2.053 6.839 -4.104 26 H GLU 4 H GLU 4 3.907 4.560 -0.018 27 HA GLU 4 HA GLU 4 6.728 4.728 -0.419 28 1HB GLU 4 1HB GLU 4 4.920 4.082 1.849 29 2HB GLU 4 2HB GLU 4 6.616 3.638 2.019 30 1HG GLU 4 1HG GLU 4 7.306 5.816 2.123 31 2HG GLU 4 2HG GLU 4 6.095 6.358 0.961 32 H GLN 5 H GLN 5 4.567 2.140 -0.843 33 HA GLN 5 HA GLN 5 6.619 0.070 -0.347 34 1HB GLN 5 1HB GLN 5 3.757 -0.167 -1.323 35 2HB GLN 5 2HB GLN 5 4.808 -1.518 -0.897 36 1HG GLN 5 1HG GLN 5 4.629 0.564 1.179 37 2HG GLN 5 2HG GLN 5 3.106 -0.263 0.854 38 1HE2 GLN 5 2HE2 GLN 5 5.368 -0.465 3.075 39 2HE2 GLN 5 1HE2 GLN 5 5.567 -2.142 3.234 40 H CYS 6 H CYS 6 4.944 1.613 -3.063 41 HA CYS 6 HA CYS 6 6.613 -0.039 -4.914 42 1HB CYS 6 1HB CYS 6 4.010 1.444 -5.357 43 2HB CYS 6 2HB CYS 6 4.924 0.651 -6.642 44 H CYS 7 H CYS 7 5.283 3.263 -4.552 45 HA CYS 7 HA CYS 7 6.883 4.474 -6.557 46 1HB CYS 7 1HB CYS 7 5.011 5.687 -5.671 47 2HB CYS 7 2HB CYS 7 5.650 5.596 -4.031 48 H HIS 8 H HIS 8 7.525 4.064 -3.058 49 HA HIS 8 HA HIS 8 10.065 5.455 -3.207 50 1HB HIS 8 1HB HIS 8 8.885 3.592 -1.132 51 2HB HIS 8 2HB HIS 8 10.431 4.417 -0.935 52 HD1 HIS 8 HD1 HIS 8 7.740 6.272 -2.718 53 HD2 HIS 8 HD2 HIS 8 9.215 5.997 1.167 54 HE1 HIS 8 HE1 HIS 8 6.723 8.196 -1.425 55 H SER 9 H SER 9 9.332 1.968 -2.696 56 HA SER 9 HA SER 9 11.989 1.399 -3.957 57 1HB SER 9 1HB SER 9 11.748 -0.812 -2.626 58 2HB SER 9 2HB SER 9 12.170 0.643 -1.729 59 HG SER 9 HG SER 9 10.421 0.294 -0.634 60 H ILE 10 H ILE 10 11.851 -1.171 -4.599 61 HA ILE 10 HA ILE 10 9.811 -1.220 -6.712 62 HB ILE 10 HB ILE 10 12.015 -3.175 -5.989 63 1HG1 ILE 10 1HG1 ILE 10 11.797 -1.199 -8.282 64 2HG1 ILE 10 2HG1 ILE 10 12.713 -0.900 -6.805 65 1HG2 ILE 10 1HG2 ILE 10 9.932 -4.065 -7.229 66 2HG2 ILE 10 2HG2 ILE 10 10.466 -3.062 -8.578 67 3HG2 ILE 10 3HG2 ILE 10 11.503 -4.357 -7.977 68 1HD1 ILE 10 1HD1 ILE 10 14.073 -2.924 -7.253 69 2HD1 ILE 10 2HD1 ILE 10 13.180 -3.178 -8.753 70 3HD1 ILE 10 3HD1 ILE 10 14.200 -1.751 -8.564 71 H CYS 11 H CYS 11 7.960 -2.427 -6.650 72 HA CYS 11 HA CYS 11 7.683 -4.406 -4.424 73 1HB CYS 11 1HB CYS 11 5.389 -3.705 -4.098 74 2HB CYS 11 2HB CYS 11 6.407 -2.266 -4.027 75 H SER 12 H SER 12 4.958 -5.055 -5.357 76 HA SER 12 HA SER 12 5.494 -6.164 -8.063 77 1HB SER 12 1HB SER 12 4.389 -8.345 -7.094 78 2HB SER 12 2HB SER 12 6.108 -8.060 -6.848 79 HG SER 12 HG SER 12 5.632 -8.193 -4.808 80 H LEU 13 H LEU 13 2.872 -7.446 -6.191 81 HA LEU 13 HA LEU 13 0.962 -5.388 -7.030 82 1HB LEU 13 1HB LEU 13 1.304 -7.951 -8.500 83 2HB LEU 13 2HB LEU 13 -0.354 -7.462 -8.150 84 HG LEU 13 HG LEU 13 1.718 -5.697 -9.487 85 1HD1 LEU 13 1HD1 LEU 13 0.455 -7.848 -10.625 86 2HD1 LEU 13 2HD1 LEU 13 -0.682 -6.545 -10.975 87 3HD1 LEU 13 3HD1 LEU 13 0.993 -6.422 -11.514 88 1HD2 LEU 13 1HD2 LEU 13 -0.701 -5.091 -8.150 89 2HD2 LEU 13 2HD2 LEU 13 0.253 -4.013 -9.169 90 3HD2 LEU 13 3HD2 LEU 13 -1.051 -4.968 -9.874 91 H TYR 14 H TYR 14 1.536 -8.614 -5.659 92 HA TYR 14 HA TYR 14 -0.912 -9.174 -4.469 93 1HB TYR 14 1HB TYR 14 1.481 -10.334 -4.281 94 2HB TYR 14 2HB TYR 14 1.527 -9.449 -2.757 95 HD1 TYR 14 HD1 TYR 14 -1.177 -11.227 -4.666 96 HD2 TYR 14 HD2 TYR 14 0.955 -10.812 -0.960 97 HE1 TYR 14 HE1 TYR 14 -2.649 -12.934 -3.629 98 HE2 TYR 14 HE2 TYR 14 -0.517 -12.519 0.078 99 HH TYR 14 HH TYR 14 -3.376 -13.410 -1.049 100 H GLN 15 H GLN 15 1.442 -6.724 -3.545 101 HA GLN 15 HA GLN 15 0.178 -6.055 -1.023 102 1HB GLN 15 1HB GLN 15 1.990 -4.379 -2.789 103 2HB GLN 15 2HB GLN 15 1.603 -4.050 -1.100 104 1HG GLN 15 1HG GLN 15 2.633 -6.770 -1.661 105 2HG GLN 15 2HG GLN 15 3.791 -5.458 -1.883 106 1HE2 GLN 15 2HE2 GLN 15 1.456 -6.755 0.526 107 2HE2 GLN 15 1HE2 GLN 15 2.305 -6.185 1.880 108 H LEU 16 H LEU 16 0.012 -4.736 -4.325 109 HA LEU 16 HA LEU 16 -1.993 -2.740 -3.535 110 1HB LEU 16 1HB LEU 16 -1.421 -3.484 -6.390 111 2HB LEU 16 2HB LEU 16 -1.798 -1.903 -5.708 112 HG LEU 16 HG LEU 16 0.796 -3.440 -5.383 113 1HD1 LEU 16 1HD1 LEU 16 -0.161 -1.504 -7.288 114 2HD1 LEU 16 2HD1 LEU 16 1.157 -0.802 -6.350 115 3HD1 LEU 16 3HD1 LEU 16 1.405 -2.311 -7.229 116 1HD2 LEU 16 1HD2 LEU 16 -0.447 -1.395 -3.738 117 2HD2 LEU 16 2HD2 LEU 16 1.055 -2.277 -3.466 118 3HD2 LEU 16 3HD2 LEU 16 1.062 -0.803 -4.434 119 H GLU 17 H GLU 17 -2.231 -5.942 -3.711 120 HA GLU 17 HA GLU 17 -4.621 -6.164 -5.413 121 1HB GLU 17 1HB GLU 17 -2.680 -7.962 -4.354 122 2HB GLU 17 2HB GLU 17 -4.254 -8.454 -3.725 123 1HG GLU 17 1HG GLU 17 -5.093 -8.185 -6.156 124 2HG GLU 17 2HG GLU 17 -3.388 -8.187 -6.603 125 H ASN 18 H ASN 18 -3.868 -5.565 -2.082 126 HA ASN 18 HA ASN 18 -6.525 -6.377 -1.119 127 1HB ASN 18 1HB ASN 18 -4.897 -4.615 0.608 128 2HB ASN 18 2HB ASN 18 -5.658 -6.161 0.977 129 1HD2 ASN 18 2HD2 ASN 18 -4.402 -7.729 -1.109 130 2HD2 ASN 18 1HD2 ASN 18 -2.749 -7.847 -0.741 131 H TYR 19 H TYR 19 -5.267 -3.706 -2.735 132 HA TYR 19 HA TYR 19 -7.118 -1.775 -1.465 133 1HB TYR 19 1HB TYR 19 -5.335 -1.274 -3.856 134 2HB TYR 19 2HB TYR 19 -5.993 -0.093 -2.723 135 HD1 TYR 19 HD1 TYR 19 -5.474 -1.977 -0.252 136 HD2 TYR 19 HD2 TYR 19 -3.018 -0.547 -3.471 137 HE1 TYR 19 HE1 TYR 19 -3.461 -2.224 1.172 138 HE2 TYR 19 HE2 TYR 19 -1.006 -0.792 -2.049 139 HH TYR 19 HH TYR 19 -1.011 -2.531 0.852 140 H CYS 20 H CYS 20 -7.953 -4.171 -3.130 141 HA CYS 20 HA CYS 20 -9.224 -2.843 -5.456 142 1HB CYS 20 1HB CYS 20 -8.377 -4.946 -6.085 143 2HB CYS 20 2HB CYS 20 -8.859 -5.701 -4.570 144 H ASN 21 H ASN 21 -11.227 -1.989 -5.213 145 HA ASN 21 HA ASN 21 -12.750 -2.192 -2.811 146 1HB ASN 21 1HB ASN 21 -13.531 -1.378 -5.624 147 2HB ASN 21 2HB ASN 21 -14.620 -1.246 -4.241 148 1HD2 ASN 21 2HD2 ASN 21 -12.635 0.628 -6.041 149 2HD2 ASN 21 1HD2 ASN 21 -12.097 1.728 -4.864 150 1H GLU 1 1H GLU 1 7.630 -3.132 -16.113 151 2H GLU 1 2H GLU 1 7.022 -1.647 -16.668 152 3H GLU 1 3H GLU 1 8.430 -1.686 -15.724 153 HA GLU 1 HA GLU 1 6.998 -1.140 -14.082 154 1HB GLU 1 1HB GLU 1 4.584 -2.134 -14.193 155 2HB GLU 1 2HB GLU 1 5.008 -0.816 -15.285 156 1HG GLU 1 1HG GLU 1 5.724 -3.401 -16.414 157 2HG GLU 1 2HG GLU 1 4.006 -3.321 -16.024 158 H VAL 2 H VAL 2 5.413 -2.696 -12.543 159 HA VAL 2 HA VAL 2 5.715 -4.382 -10.916 160 HB VAL 2 HB VAL 2 5.419 -6.600 -11.839 161 1HG1 VAL 2 1HG1 VAL 2 3.704 -4.581 -12.228 162 2HG1 VAL 2 2HG1 VAL 2 4.042 -4.960 -13.917 163 3HG1 VAL 2 3HG1 VAL 2 3.385 -6.200 -12.849 164 1HG2 VAL 2 1HG2 VAL 2 7.286 -6.116 -13.609 165 2HG2 VAL 2 2HG2 VAL 2 5.968 -7.205 -14.043 166 3HG2 VAL 2 3HG2 VAL 2 5.951 -5.533 -14.604 167 H ASN 3 H ASN 3 8.235 -3.090 -11.962 168 HA ASN 3 HA ASN 3 10.094 -4.916 -10.670 169 1HB ASN 3 1HB ASN 3 9.721 -5.387 -13.365 170 2HB ASN 3 2HB ASN 3 11.107 -4.298 -13.362 171 1HD2 ASN 3 2HD2 ASN 3 12.650 -4.980 -11.275 172 2HD2 ASN 3 1HD2 ASN 3 13.055 -6.629 -11.277 173 H GLN 4 H GLN 4 9.053 -2.057 -10.730 174 HA GLN 4 HA GLN 4 11.594 -0.785 -10.116 175 1HB GLN 4 1HB GLN 4 11.432 -0.721 -12.675 176 2HB GLN 4 2HB GLN 4 10.077 0.387 -12.458 177 1HG GLN 4 1HG GLN 4 11.435 2.027 -11.420 178 2HG GLN 4 2HG GLN 4 12.739 0.877 -11.122 179 1HE2 GLN 4 2HE2 GLN 4 12.390 3.498 -12.881 180 2HE2 GLN 4 1HE2 GLN 4 13.119 3.048 -14.346 181 H HIS 5 H HIS 5 11.227 1.528 -9.450 182 HA HIS 5 HA HIS 5 9.031 1.739 -7.678 183 1HB HIS 5 1HB HIS 5 10.484 4.112 -8.841 184 2HB HIS 5 2HB HIS 5 9.801 3.931 -7.222 185 HD1 HIS 5 HD1 HIS 5 12.768 3.028 -9.298 186 HD2 HIS 5 HD2 HIS 5 11.326 2.257 -5.474 187 HE1 HIS 5 HE1 HIS 5 14.655 1.934 -8.026 188 H LEU 6 H LEU 6 6.914 2.105 -8.146 189 HA LEU 6 HA LEU 6 6.240 3.297 -10.782 190 1HB LEU 6 1HB LEU 6 4.752 1.601 -8.801 191 2HB LEU 6 2HB LEU 6 3.854 2.589 -9.951 192 HG LEU 6 HG LEU 6 5.821 1.400 -11.495 193 1HD1 LEU 6 1HD1 LEU 6 4.671 -0.595 -9.523 194 2HD1 LEU 6 2HD1 LEU 6 5.553 -1.024 -10.988 195 3HD1 LEU 6 3HD1 LEU 6 6.372 -0.156 -9.689 196 1HD2 LEU 6 1HD2 LEU 6 3.287 1.824 -11.837 197 2HD2 LEU 6 2HD2 LEU 6 3.989 0.404 -12.613 198 3HD2 LEU 6 3HD2 LEU 6 3.067 0.228 -11.120 199 H CYS 7 H CYS 7 6.368 5.519 -10.518 200 HA CYS 7 HA CYS 7 4.482 6.693 -8.536 201 1HB CYS 7 1HB CYS 7 7.204 6.715 -8.099 202 2HB CYS 7 2HB CYS 7 6.944 8.260 -8.910 203 H GLY 8 H GLY 8 4.492 9.251 -9.057 204 1HA GLY 8 1HA GLY 8 4.043 10.931 -10.638 205 2HA GLY 8 2HA GLY 8 4.968 9.991 -11.810 206 H SER 9 H SER 9 2.188 8.732 -10.043 207 HA SER 9 HA SER 9 0.014 8.207 -10.796 208 1HB SER 9 1HB SER 9 0.638 9.491 -13.447 209 2HB SER 9 2HB SER 9 -0.912 9.364 -12.619 210 HG SER 9 HG SER 9 1.186 11.153 -12.264 211 H GLU 10 H GLU 10 2.791 6.920 -11.690 212 HA GLU 10 HA GLU 10 1.795 5.348 -13.986 213 1HB GLU 10 1HB GLU 10 3.983 4.826 -14.424 214 2HB GLU 10 2HB GLU 10 4.283 6.253 -13.438 215 1HG GLU 10 1HG GLU 10 4.628 4.873 -11.461 216 2HG GLU 10 2HG GLU 10 4.194 3.421 -12.362 217 H LEU 11 H LEU 11 2.144 5.111 -10.544 218 HA LEU 11 HA LEU 11 1.952 2.202 -10.425 219 1HB LEU 11 1HB LEU 11 2.963 3.382 -8.551 220 2HB LEU 11 2HB LEU 11 1.512 4.357 -8.335 221 HG LEU 11 HG LEU 11 0.286 2.092 -8.029 222 1HD1 LEU 11 1HD1 LEU 11 2.846 1.135 -8.623 223 2HD1 LEU 11 2HD1 LEU 11 2.689 0.911 -6.881 224 3HD1 LEU 11 3HD1 LEU 11 1.505 0.192 -7.972 225 1HD2 LEU 11 1HD2 LEU 11 1.576 3.864 -6.260 226 2HD2 LEU 11 2HD2 LEU 11 0.296 2.718 -5.861 227 3HD2 LEU 11 3HD2 LEU 11 1.987 2.249 -5.687 228 H VAL 12 H VAL 12 -0.279 4.941 -10.133 229 HA VAL 12 HA VAL 12 -2.607 3.561 -9.353 230 HB VAL 12 HB VAL 12 -2.280 6.085 -9.667 231 1HG1 VAL 12 1HG1 VAL 12 -2.982 5.292 -12.509 232 2HG1 VAL 12 2HG1 VAL 12 -2.962 6.946 -11.895 233 3HG1 VAL 12 3HG1 VAL 12 -1.466 6.017 -11.975 234 1HG2 VAL 12 1HG2 VAL 12 -4.680 4.458 -10.369 235 2HG2 VAL 12 2HG2 VAL 12 -4.450 5.604 -9.050 236 3HG2 VAL 12 3HG2 VAL 12 -4.761 6.190 -10.684 237 H GLU 13 H GLU 13 -1.183 3.950 -12.584 238 HA GLU 13 HA GLU 13 -3.300 2.814 -14.096 239 1HB GLU 13 1HB GLU 13 -0.499 3.463 -14.507 240 2HB GLU 13 2HB GLU 13 -0.921 1.952 -15.313 241 1HG GLU 13 1HG GLU 13 -1.434 3.623 -16.909 242 2HG GLU 13 2HG GLU 13 -2.993 3.216 -16.192 243 H ALA 14 H ALA 14 -0.682 1.290 -12.265 244 HA ALA 14 HA ALA 14 -1.496 -1.397 -13.152 245 1HB ALA 14 1HB ALA 14 0.907 -0.468 -12.433 246 2HB ALA 14 2HB ALA 14 0.354 -0.987 -10.842 247 3HB ALA 14 3HB ALA 14 0.451 -2.150 -12.163 248 H LEU 15 H LEU 15 -2.316 0.827 -10.690 249 HA LEU 15 HA LEU 15 -3.118 -1.098 -8.671 250 1HB LEU 15 1HB LEU 15 -3.172 1.809 -9.034 251 2HB LEU 15 2HB LEU 15 -4.602 1.193 -8.205 252 HG LEU 15 HG LEU 15 -1.790 0.402 -7.422 253 1HD1 LEU 15 1HD1 LEU 15 -2.522 2.942 -7.249 254 2HD1 LEU 15 2HD1 LEU 15 -3.428 2.358 -5.852 255 3HD1 LEU 15 3HD1 LEU 15 -1.675 2.161 -5.911 256 1HD2 LEU 15 1HD2 LEU 15 -4.554 0.084 -6.256 257 2HD2 LEU 15 2HD2 LEU 15 -3.340 -1.159 -6.558 258 3HD2 LEU 15 3HD2 LEU 15 -3.121 -0.015 -5.235 259 H GLU 16 H GLU 16 -4.509 0.095 -11.590 260 HA GLU 16 HA GLU 16 -7.268 -0.553 -10.819 261 1HB GLU 16 1HB GLU 16 -7.850 0.092 -13.085 262 2HB GLU 16 2HB GLU 16 -6.702 1.274 -12.454 263 1HG GLU 16 1HG GLU 16 -5.528 0.873 -14.352 264 2HG GLU 16 2HG GLU 16 -5.033 -0.621 -13.555 265 H LEU 17 H LEU 17 -4.543 -2.192 -12.153 266 HA LEU 17 HA LEU 17 -6.079 -4.283 -13.495 267 1HB LEU 17 1HB LEU 17 -3.216 -3.683 -12.987 268 2HB LEU 17 2HB LEU 17 -3.626 -5.391 -13.144 269 HG LEU 17 HG LEU 17 -5.061 -4.249 -15.205 270 1HD1 LEU 17 1HD1 LEU 17 -3.362 -2.234 -14.455 271 2HD1 LEU 17 2HD1 LEU 17 -2.402 -3.059 -15.683 272 3HD1 LEU 17 3HD1 LEU 17 -4.002 -2.437 -16.086 273 1HD2 LEU 17 1HD2 LEU 17 -3.198 -6.209 -14.895 274 2HD2 LEU 17 2HD2 LEU 17 -3.794 -5.677 -16.467 275 3HD2 LEU 17 3HD2 LEU 17 -2.274 -5.040 -15.840 276 H VAL 18 H VAL 18 -4.217 -4.066 -10.451 277 HA VAL 18 HA VAL 18 -4.462 -6.618 -9.460 278 HB VAL 18 HB VAL 18 -5.051 -5.207 -7.217 279 1HG1 VAL 18 1HG1 VAL 18 -2.479 -5.648 -8.702 280 2HG1 VAL 18 2HG1 VAL 18 -2.483 -4.823 -7.143 281 3HG1 VAL 18 3HG1 VAL 18 -3.081 -6.476 -7.267 282 1HG2 VAL 18 1HG2 VAL 18 -5.066 -3.192 -9.028 283 2HG2 VAL 18 2HG2 VAL 18 -4.598 -2.975 -7.341 284 3HG2 VAL 18 3HG2 VAL 18 -3.360 -3.198 -8.578 285 H CYS 19 H CYS 19 -6.913 -4.071 -8.786 286 HA CYS 19 HA CYS 19 -8.842 -5.881 -7.741 287 1HB CYS 19 1HB CYS 19 -8.822 -3.312 -7.610 288 2HB CYS 19 2HB CYS 19 -9.530 -3.341 -9.223 289 H GLY 20 H GLY 20 -8.878 -4.299 -10.961 290 1HA GLY 20 1HA GLY 20 -9.773 -5.042 -12.998 291 2HA GLY 20 2HA GLY 20 -9.316 -6.658 -12.463 292 H GLU 21 H GLU 21 -11.856 -4.203 -11.890 293 HA GLU 21 HA GLU 21 -14.073 -5.693 -12.593 294 1HB GLU 21 1HB GLU 21 -12.828 -6.808 -10.235 295 2HB GLU 21 2HB GLU 21 -14.445 -6.222 -9.843 296 1HG GLU 21 1HG GLU 21 -15.389 -7.951 -10.929 297 2HG GLU 21 2HG GLU 21 -14.490 -7.564 -12.397 298 H ARG 22 H ARG 22 -12.736 -3.660 -10.027 299 HA ARG 22 HA ARG 22 -15.101 -1.874 -10.341 300 1HB ARG 22 1HB ARG 22 -13.884 -2.750 -7.701 301 2HB ARG 22 2HB ARG 22 -15.150 -1.534 -7.886 302 1HG ARG 22 1HG ARG 22 -15.485 -4.322 -8.989 303 2HG ARG 22 2HG ARG 22 -15.897 -3.941 -7.316 304 1HD ARG 22 1HD ARG 22 -17.476 -2.238 -8.040 305 2HD ARG 22 2HD ARG 22 -16.995 -2.459 -9.722 306 HE ARG 22 HE ARG 22 -17.825 -4.982 -8.944 307 1HH1 ARG 22 1HH1 ARG 22 -19.139 -1.788 -8.856 308 2HH1 ARG 22 2HH1 ARG 22 -20.778 -2.319 -9.024 309 1HH2 ARG 22 1HH2 ARG 22 -19.958 -5.685 -9.165 310 2HH2 ARG 22 2HH2 ARG 22 -21.242 -4.522 -9.198 311 H GLY 23 H GLY 23 -11.993 -2.123 -8.596 312 1HA GLY 23 1HA GLY 23 -10.377 -0.347 -9.813 313 2HA GLY 23 2HA GLY 23 -11.513 0.755 -9.028 314 H PHE 24 H PHE 24 -10.045 1.586 -7.496 315 HA PHE 24 HA PHE 24 -9.545 -0.178 -5.200 316 1HB PHE 24 1HB PHE 24 -7.069 0.617 -5.220 317 2HB PHE 24 2HB PHE 24 -7.525 -0.701 -6.303 318 HD1 PHE 24 HD1 PHE 24 -8.226 -0.080 -8.708 319 HD2 PHE 24 HD2 PHE 24 -6.132 2.599 -6.083 320 HE1 PHE 24 HE1 PHE 24 -7.519 1.280 -10.658 321 HE2 PHE 24 HE2 PHE 24 -5.426 3.957 -8.034 322 HZ PHE 24 HZ PHE 24 -6.121 3.295 -10.321 323 H PHE 25 H PHE 25 -8.335 1.229 -3.447 324 HA PHE 25 HA PHE 25 -9.737 3.840 -3.401 325 1HB PHE 25 1HB PHE 25 -9.223 1.885 -1.457 326 2HB PHE 25 2HB PHE 25 -8.162 3.230 -1.035 327 HD1 PHE 25 HD1 PHE 25 -9.517 5.622 -1.698 328 HD2 PHE 25 HD2 PHE 25 -11.205 1.955 -0.230 329 HE1 PHE 25 HE1 PHE 25 -11.456 6.877 -0.794 330 HE2 PHE 25 HE2 PHE 25 -13.145 3.210 0.674 331 HZ PHE 25 HZ PHE 25 -13.270 5.671 0.391 332 H TYR 26 H TYR 26 -8.268 4.845 -4.974 333 HA TYR 26 HA TYR 26 -6.055 6.203 -3.680 334 1HB TYR 26 1HB TYR 26 -5.129 3.892 -4.335 335 2HB TYR 26 2HB TYR 26 -5.291 4.432 -6.007 336 HD1 TYR 26 HD1 TYR 26 -4.331 6.355 -2.944 337 HD2 TYR 26 HD2 TYR 26 -3.101 4.830 -6.767 338 HE1 TYR 26 HE1 TYR 26 -2.192 7.596 -2.751 339 HE2 TYR 26 HE2 TYR 26 -0.962 6.071 -6.573 340 HH TYR 26 HH TYR 26 -0.386 8.341 -3.943 341 H GLU 27 H GLU 27 -8.385 7.106 -4.963 342 HA GLU 27 HA GLU 27 -7.215 8.419 -7.382 343 1HB GLU 27 1HB GLU 27 -9.874 7.110 -6.983 344 2HB GLU 27 2HB GLU 27 -9.804 8.550 -7.998 345 1HG GLU 27 1HG GLU 27 -7.746 7.324 -9.091 346 2HG GLU 27 2HG GLU 27 -8.499 5.881 -8.413 347 HA PRO 28 HA PRO 28 -8.213 12.320 -5.686 348 1HB PRO 28 1HB PRO 28 -9.572 13.407 -7.946 349 2HB PRO 28 2HB PRO 28 -7.866 13.603 -7.523 350 1HG PRO 28 1HG PRO 28 -9.011 12.014 -9.656 351 2HG PRO 28 2HG PRO 28 -7.303 12.306 -9.301 352 1HD PRO 28 1HD PRO 28 -8.782 9.890 -8.879 353 2HD PRO 28 2HD PRO 28 -7.093 10.212 -8.448 354 H LYS 29 H LYS 29 -10.948 11.504 -7.860 355 HA LYS 29 HA LYS 29 -12.785 12.213 -5.618 356 1HB LYS 29 1HB LYS 29 -14.480 12.180 -7.640 357 2HB LYS 29 2HB LYS 29 -13.426 13.574 -7.399 358 1HG LYS 29 1HG LYS 29 -11.957 12.915 -9.122 359 2HG LYS 29 2HG LYS 29 -12.553 11.255 -9.116 360 1HD LYS 29 1HD LYS 29 -14.404 13.530 -9.798 361 2HD LYS 29 2HD LYS 29 -13.335 12.850 -11.026 362 1HE LYS 29 1HE LYS 29 -14.656 10.744 -9.529 363 2HE LYS 29 2HE LYS 29 -15.836 11.844 -10.242 364 1HZ LYS 29 1HZ LYS 29 -13.566 10.735 -11.784 365 2HZ LYS 29 2HZ LYS 29 -15.066 9.946 -11.681 366 3HZ LYS 29 3HZ LYS 29 -14.962 11.492 -12.376 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -0.545 1.076 1.989 2 2H GLY 1 2H GLY 1 0.305 0.543 3.361 3 3H GLY 1 3H GLY 1 0.743 1.997 2.607 4 1HA GLY 1 1HA GLY 1 2.348 0.621 1.776 5 2HA GLY 1 2HA GLY 1 1.257 -0.766 1.762 6 H ILE 2 H ILE 2 0.708 2.500 0.460 7 HA ILE 2 HA ILE 2 0.289 1.224 -2.210 8 HB ILE 2 HB ILE 2 -1.119 3.410 -0.736 9 1HG1 ILE 2 1HG1 ILE 2 -2.023 1.096 -1.068 10 2HG1 ILE 2 2HG1 ILE 2 -3.065 2.354 -1.734 11 1HG2 ILE 2 1HG2 ILE 2 -0.357 3.551 -3.608 12 2HG2 ILE 2 2HG2 ILE 2 -2.042 3.905 -3.227 13 3HG2 ILE 2 3HG2 ILE 2 -0.752 4.852 -2.485 14 1HD1 ILE 2 1HD1 ILE 2 -1.579 1.901 -3.914 15 2HD1 ILE 2 2HD1 ILE 2 -1.399 0.322 -3.156 16 3HD1 ILE 2 3HD1 ILE 2 -3.005 0.931 -3.553 17 H VAL 3 H VAL 3 0.988 4.543 -1.057 18 HA VAL 3 HA VAL 3 2.837 4.898 -3.327 19 HB VAL 3 HB VAL 3 1.961 6.800 -1.132 20 1HG1 VAL 3 1HG1 VAL 3 3.541 7.272 -3.679 21 2HG1 VAL 3 2HG1 VAL 3 2.932 8.541 -2.616 22 3HG1 VAL 3 3HG1 VAL 3 4.157 7.414 -2.033 23 1HG2 VAL 3 1HG2 VAL 3 0.715 5.870 -3.562 24 2HG2 VAL 3 2HG2 VAL 3 0.091 7.013 -2.373 25 3HG2 VAL 3 3HG2 VAL 3 1.086 7.588 -3.712 26 H GLU 4 H GLU 4 2.953 4.325 0.118 27 HA GLU 4 HA GLU 4 5.798 5.055 0.309 28 1HB GLU 4 1HB GLU 4 4.520 3.414 2.430 29 2HB GLU 4 2HB GLU 4 5.551 4.835 2.580 30 1HG GLU 4 1HG GLU 4 3.596 6.195 1.672 31 2HG GLU 4 2HG GLU 4 2.604 4.755 1.903 32 H GLN 5 H GLN 5 3.983 2.356 -0.674 33 HA GLN 5 HA GLN 5 6.276 0.522 -0.126 34 1HB GLN 5 1HB GLN 5 3.622 0.133 0.409 35 2HB GLN 5 2HB GLN 5 3.760 -0.615 -1.183 36 1HG GLN 5 1HG GLN 5 6.043 -1.394 0.341 37 2HG GLN 5 2HG GLN 5 4.613 -1.660 1.339 38 1HE2 GLN 5 1HE2 GLN 5 6.522 -3.173 -0.946 39 2HE2 GLN 5 2HE2 GLN 5 5.382 -4.259 -1.579 40 H CYS 6 H CYS 6 4.756 2.319 -2.576 41 HA CYS 6 HA CYS 6 6.001 0.577 -4.666 42 1HB CYS 6 1HB CYS 6 3.546 2.327 -4.704 43 2HB CYS 6 2HB CYS 6 4.374 1.897 -6.201 44 H CYS 7 H CYS 7 5.438 3.942 -3.636 45 HA CYS 7 HA CYS 7 7.278 4.965 -5.677 46 1HB CYS 7 1HB CYS 7 5.324 6.301 -4.881 47 2HB CYS 7 2HB CYS 7 6.075 6.393 -3.288 48 H HIS 8 H HIS 8 7.403 4.050 -2.280 49 HA HIS 8 HA HIS 8 10.100 5.218 -1.980 50 1HB HIS 8 1HB HIS 8 8.475 3.517 -0.064 51 2HB HIS 8 2HB HIS 8 9.971 4.365 0.323 52 HD1 HIS 8 HD1 HIS 8 8.410 5.652 2.129 53 HD2 HIS 8 HD2 HIS 8 7.637 6.491 -1.882 54 HE1 HIS 8 HE1 HIS 8 7.037 7.779 2.094 55 H SER 9 H SER 9 8.892 2.478 -3.398 56 HA SER 9 HA SER 9 11.486 1.205 -3.507 57 1HB SER 9 1HB SER 9 10.832 -0.904 -2.355 58 2HB SER 9 2HB SER 9 10.884 0.469 -1.252 59 HG SER 9 HG SER 9 8.769 0.395 -1.049 60 H ILE 10 H ILE 10 11.056 -1.197 -4.445 61 HA ILE 10 HA ILE 10 9.210 -0.764 -6.728 62 HB ILE 10 HB ILE 10 11.317 -2.900 -6.280 63 1HG1 ILE 10 1HG1 ILE 10 11.373 -0.406 -8.011 64 2HG1 ILE 10 2HG1 ILE 10 12.219 -0.582 -6.473 65 1HG2 ILE 10 1HG2 ILE 10 9.163 -2.723 -8.132 66 2HG2 ILE 10 2HG2 ILE 10 10.648 -2.395 -9.026 67 3HG2 ILE 10 3HG2 ILE 10 10.480 -3.896 -8.116 68 1HD1 ILE 10 1HD1 ILE 10 13.484 -2.496 -7.386 69 2HD1 ILE 10 2HD1 ILE 10 12.644 -2.315 -8.926 70 3HD1 ILE 10 3HD1 ILE 10 13.734 -1.049 -8.364 71 H CYS 11 H CYS 11 7.220 -1.232 -5.621 72 HA CYS 11 HA CYS 11 6.815 -3.673 -4.135 73 1HB CYS 11 1HB CYS 11 4.357 -3.128 -4.529 74 2HB CYS 11 2HB CYS 11 5.293 -1.861 -3.736 75 H SER 12 H SER 12 4.576 -4.875 -5.211 76 HA SER 12 HA SER 12 5.463 -5.747 -7.931 77 1HB SER 12 1HB SER 12 4.357 -8.021 -6.922 78 2HB SER 12 2HB SER 12 6.083 -7.671 -6.873 79 HG SER 12 HG SER 12 5.612 -8.039 -4.798 80 H LEU 13 H LEU 13 2.807 -7.174 -6.146 81 HA LEU 13 HA LEU 13 0.783 -5.457 -7.382 82 1HB LEU 13 1HB LEU 13 1.595 -8.025 -8.592 83 2HB LEU 13 2HB LEU 13 -0.141 -7.861 -8.329 84 HG LEU 13 HG LEU 13 1.539 -5.738 -9.686 85 1HD1 LEU 13 1HD1 LEU 13 1.190 -8.172 -10.773 86 2HD1 LEU 13 2HD1 LEU 13 -0.356 -7.452 -11.222 87 3HD1 LEU 13 3HD1 LEU 13 1.151 -6.697 -11.741 88 1HD2 LEU 13 1HD2 LEU 13 -0.895 -5.481 -8.545 89 2HD2 LEU 13 2HD2 LEU 13 -0.433 -4.601 -10.002 90 3HD2 LEU 13 3HD2 LEU 13 -1.384 -6.081 -10.128 91 H TYR 14 H TYR 14 1.551 -8.457 -5.649 92 HA TYR 14 HA TYR 14 -0.973 -9.090 -4.603 93 1HB TYR 14 1HB TYR 14 1.303 -10.290 -4.279 94 2HB TYR 14 2HB TYR 14 1.514 -9.209 -2.901 95 HD1 TYR 14 HD1 TYR 14 -0.343 -9.133 -1.129 96 HD2 TYR 14 HD2 TYR 14 -0.039 -12.223 -4.098 97 HE1 TYR 14 HE1 TYR 14 -1.804 -10.594 0.242 98 HE2 TYR 14 HE2 TYR 14 -1.500 -13.684 -2.726 99 HH TYR 14 HH TYR 14 -2.275 -12.976 0.523 100 H GLN 15 H GLN 15 1.229 -6.501 -3.682 101 HA GLN 15 HA GLN 15 -0.193 -5.830 -1.236 102 1HB GLN 15 1HB GLN 15 1.602 -4.013 -2.863 103 2HB GLN 15 2HB GLN 15 1.245 -3.909 -1.139 104 1HG GLN 15 1HG GLN 15 2.454 -6.433 -2.215 105 2HG GLN 15 2HG GLN 15 3.492 -5.030 -1.961 106 1HE2 GLN 15 2HE2 GLN 15 2.947 -7.751 -0.423 107 2HE2 GLN 15 1HE2 GLN 15 2.851 -7.238 1.193 108 H LEU 16 H LEU 16 -0.349 -4.789 -4.610 109 HA LEU 16 HA LEU 16 -2.270 -2.652 -4.005 110 1HB LEU 16 1HB LEU 16 -1.640 -3.798 -6.733 111 2HB LEU 16 2HB LEU 16 -2.216 -2.177 -6.339 112 HG LEU 16 HG LEU 16 0.466 -3.284 -5.460 113 1HD1 LEU 16 1HD1 LEU 16 -0.297 -1.493 -7.784 114 2HD1 LEU 16 2HD1 LEU 16 1.355 -1.677 -7.193 115 3HD1 LEU 16 3HD1 LEU 16 0.499 -3.064 -7.867 116 1HD2 LEU 16 1HD2 LEU 16 -0.823 -0.541 -5.359 117 2HD2 LEU 16 2HD2 LEU 16 -0.325 -1.536 -3.991 118 3HD2 LEU 16 3HD2 LEU 16 0.890 -0.825 -5.052 119 H GLU 17 H GLU 17 -2.587 -5.878 -3.877 120 HA GLU 17 HA GLU 17 -5.107 -6.100 -5.402 121 1HB GLU 17 1HB GLU 17 -3.328 -7.956 -5.183 122 2HB GLU 17 2HB GLU 17 -3.952 -8.186 -3.549 123 1HG GLU 17 1HG GLU 17 -6.205 -8.025 -5.270 124 2HG GLU 17 2HG GLU 17 -5.056 -9.126 -6.031 125 H ASN 18 H ASN 18 -4.057 -6.471 -2.007 126 HA ASN 18 HA ASN 18 -6.493 -6.903 -0.755 127 1HB ASN 18 1HB ASN 18 -4.954 -4.762 0.582 128 2HB ASN 18 2HB ASN 18 -5.471 -6.328 1.199 129 1HD2 ASN 18 2HD2 ASN 18 -4.006 -8.136 0.966 130 2HD2 ASN 18 1HD2 ASN 18 -2.408 -7.938 0.429 131 H TYR 19 H TYR 19 -5.435 -3.982 -2.356 132 HA TYR 19 HA TYR 19 -7.678 -2.405 -1.278 133 1HB TYR 19 1HB TYR 19 -5.914 -1.567 -3.567 134 2HB TYR 19 2HB TYR 19 -6.689 -0.558 -2.344 135 HD1 TYR 19 HD1 TYR 19 -5.968 -2.352 0.047 136 HD2 TYR 19 HD2 TYR 19 -3.646 -0.804 -3.219 137 HE1 TYR 19 HE1 TYR 19 -3.922 -2.480 1.441 138 HE2 TYR 19 HE2 TYR 19 -1.602 -0.930 -1.826 139 HH TYR 19 HH TYR 19 -0.907 -1.069 0.414 140 H CYS 20 H CYS 20 -8.662 -4.650 -2.569 141 HA CYS 20 HA CYS 20 -9.461 -3.734 -5.284 142 1HB CYS 20 1HB CYS 20 -8.660 -6.035 -5.150 143 2HB CYS 20 2HB CYS 20 -9.825 -6.395 -3.874 144 H ASN 21 H ASN 21 -10.890 -2.059 -4.423 145 HA ASN 21 HA ASN 21 -13.063 -2.586 -2.647 146 1HB ASN 21 1HB ASN 21 -12.499 -0.301 -3.057 147 2HB ASN 21 2HB ASN 21 -12.631 -0.508 -4.803 148 1HD2 ASN 21 2HD2 ASN 21 -14.568 0.172 -5.681 149 2HD2 ASN 21 1HD2 ASN 21 -16.032 0.321 -4.833 150 1H GLU 1 1H GLU 1 5.351 -1.320 -14.386 151 2H GLU 1 2H GLU 1 6.132 0.165 -14.121 152 3H GLU 1 3H GLU 1 4.591 0.134 -14.828 153 HA GLU 1 HA GLU 1 5.350 -0.507 -16.861 154 1HB GLU 1 1HB GLU 1 7.587 0.996 -15.488 155 2HB GLU 1 2HB GLU 1 7.620 0.629 -17.213 156 1HG GLU 1 1HG GLU 1 5.489 2.217 -15.752 157 2HG GLU 1 2HG GLU 1 6.677 2.855 -16.890 158 H VAL 2 H VAL 2 8.169 -1.056 -14.709 159 HA VAL 2 HA VAL 2 8.388 -3.799 -15.827 160 HB VAL 2 HB VAL 2 10.996 -3.210 -15.823 161 1HG1 VAL 2 1HG1 VAL 2 9.634 -4.069 -17.727 162 2HG1 VAL 2 2HG1 VAL 2 9.125 -2.417 -18.075 163 3HG1 VAL 2 3HG1 VAL 2 10.822 -2.869 -18.238 164 1HG2 VAL 2 1HG2 VAL 2 10.042 -0.747 -15.211 165 2HG2 VAL 2 2HG2 VAL 2 11.537 -1.001 -16.113 166 3HG2 VAL 2 3HG2 VAL 2 10.037 -0.642 -16.971 167 H ASN 3 H ASN 3 10.883 -2.100 -14.011 168 HA ASN 3 HA ASN 3 9.991 -3.401 -11.499 169 1HB ASN 3 1HB ASN 3 11.557 -4.967 -12.742 170 2HB ASN 3 2HB ASN 3 12.814 -3.747 -12.540 171 1HD2 ASN 3 2HD2 ASN 3 10.334 -5.369 -10.456 172 2HD2 ASN 3 1HD2 ASN 3 11.381 -5.580 -9.136 173 H GLN 4 H GLN 4 9.612 -1.024 -11.139 174 HA GLN 4 HA GLN 4 11.988 0.143 -9.840 175 1HB GLN 4 1HB GLN 4 10.667 1.293 -12.275 176 2HB GLN 4 2HB GLN 4 11.277 2.395 -11.040 177 1HG GLN 4 1HG GLN 4 13.357 0.611 -11.295 178 2HG GLN 4 2HG GLN 4 12.758 0.722 -12.951 179 1HE2 GLN 4 2HE2 GLN 4 13.626 2.884 -10.192 180 2HE2 GLN 4 1HE2 GLN 4 14.240 4.128 -11.172 181 H HIS 5 H HIS 5 11.168 2.434 -8.903 182 HA HIS 5 HA HIS 5 8.967 1.800 -7.146 183 1HB HIS 5 1HB HIS 5 10.301 4.470 -7.690 184 2HB HIS 5 2HB HIS 5 9.270 4.094 -6.311 185 HD1 HIS 5 HD1 HIS 5 11.066 4.284 -4.501 186 HD2 HIS 5 HD2 HIS 5 12.100 1.612 -7.528 187 HE1 HIS 5 HE1 HIS 5 13.115 3.043 -3.692 188 H LEU 6 H LEU 6 6.844 1.887 -7.750 189 HA LEU 6 HA LEU 6 6.035 3.339 -10.157 190 1HB LEU 6 1HB LEU 6 4.577 1.663 -8.116 191 2HB LEU 6 2HB LEU 6 3.698 2.589 -9.332 192 HG LEU 6 HG LEU 6 5.313 1.463 -11.026 193 1HD1 LEU 6 1HD1 LEU 6 5.593 -0.282 -8.568 194 2HD1 LEU 6 2HD1 LEU 6 5.931 -0.868 -10.197 195 3HD1 LEU 6 3HD1 LEU 6 6.882 0.455 -9.521 196 1HD2 LEU 6 1HD2 LEU 6 3.163 -0.109 -9.569 197 2HD2 LEU 6 2HD2 LEU 6 2.903 1.006 -10.912 198 3HD2 LEU 6 3HD2 LEU 6 3.788 -0.496 -11.173 199 H CYS 7 H CYS 7 6.458 5.548 -9.609 200 HA CYS 7 HA CYS 7 4.697 6.645 -7.455 201 1HB CYS 7 1HB CYS 7 7.373 6.956 -7.614 202 2HB CYS 7 2HB CYS 7 6.869 8.318 -8.616 203 H GLY 8 H GLY 8 2.955 7.745 -8.205 204 1HA GLY 8 1HA GLY 8 2.154 9.669 -9.561 205 2HA GLY 8 2HA GLY 8 3.191 9.090 -10.866 206 H SER 9 H SER 9 1.429 8.856 -12.337 207 HA SER 9 HA SER 9 -0.970 7.405 -11.719 208 1HB SER 9 1HB SER 9 0.362 7.808 -14.415 209 2HB SER 9 2HB SER 9 -1.312 7.328 -14.150 210 HG SER 9 HG SER 9 -0.980 9.614 -14.516 211 H GLU 10 H GLU 10 2.164 6.405 -13.073 212 HA GLU 10 HA GLU 10 1.667 3.842 -13.960 213 1HB GLU 10 1HB GLU 10 3.914 3.217 -12.877 214 2HB GLU 10 2HB GLU 10 3.928 4.573 -14.002 215 1HG GLU 10 1HG GLU 10 3.399 5.924 -11.737 216 2HG GLU 10 2HG GLU 10 4.285 4.563 -11.049 217 H LEU 11 H LEU 11 1.720 4.924 -10.593 218 HA LEU 11 HA LEU 11 1.551 2.332 -9.390 219 1HB LEU 11 1HB LEU 11 2.036 4.514 -8.194 220 2HB LEU 11 2HB LEU 11 0.320 4.895 -8.335 221 HG LEU 11 HG LEU 11 1.020 3.808 -6.142 222 1HD1 LEU 11 1HD1 LEU 11 -1.304 3.699 -7.452 223 2HD1 LEU 11 2HD1 LEU 11 -0.914 1.980 -7.502 224 3HD1 LEU 11 3HD1 LEU 11 -1.052 2.810 -5.951 225 1HD2 LEU 11 1HD2 LEU 11 2.560 2.179 -7.455 226 2HD2 LEU 11 2HD2 LEU 11 1.637 1.532 -6.099 227 3HD2 LEU 11 3HD2 LEU 11 1.085 1.257 -7.751 228 H VAL 12 H VAL 12 -0.991 4.684 -10.254 229 HA VAL 12 HA VAL 12 -3.184 2.981 -9.536 230 HB VAL 12 HB VAL 12 -3.157 5.535 -9.998 231 1HG1 VAL 12 1HG1 VAL 12 -2.485 4.618 -12.565 232 2HG1 VAL 12 2HG1 VAL 12 -4.163 5.141 -12.691 233 3HG1 VAL 12 3HG1 VAL 12 -2.931 6.263 -12.115 234 1HG2 VAL 12 1HG2 VAL 12 -5.156 3.875 -9.644 235 2HG2 VAL 12 2HG2 VAL 12 -5.485 5.492 -10.266 236 3HG2 VAL 12 3HG2 VAL 12 -5.429 4.116 -11.369 237 H GLU 13 H GLU 13 -1.062 3.012 -12.260 238 HA GLU 13 HA GLU 13 -2.829 1.760 -14.169 239 1HB GLU 13 1HB GLU 13 0.202 1.697 -13.999 240 2HB GLU 13 2HB GLU 13 -0.758 1.249 -15.409 241 1HG GLU 13 1HG GLU 13 -1.088 3.962 -14.145 242 2HG GLU 13 2HG GLU 13 0.222 3.664 -15.287 243 H ALA 14 H ALA 14 -0.817 0.600 -11.551 244 HA ALA 14 HA ALA 14 -1.273 -2.218 -12.381 245 1HB ALA 14 1HB ALA 14 0.736 -0.817 -10.813 246 2HB ALA 14 2HB ALA 14 0.072 -2.187 -9.921 247 3HB ALA 14 3HB ALA 14 0.798 -2.436 -11.510 248 H LEU 15 H LEU 15 -2.447 0.203 -10.228 249 HA LEU 15 HA LEU 15 -3.546 -1.547 -8.219 250 1HB LEU 15 1HB LEU 15 -3.713 1.312 -8.928 251 2HB LEU 15 2HB LEU 15 -5.159 0.668 -8.155 252 HG LEU 15 HG LEU 15 -2.344 0.355 -7.074 253 1HD1 LEU 15 1HD1 LEU 15 -4.599 2.199 -6.234 254 2HD1 LEU 15 2HD1 LEU 15 -3.099 1.964 -5.334 255 3HD1 LEU 15 3HD1 LEU 15 -3.062 2.689 -6.942 256 1HD2 LEU 15 1HD2 LEU 15 -3.946 -1.450 -6.445 257 2HD2 LEU 15 2HD2 LEU 15 -3.490 -0.465 -5.057 258 3HD2 LEU 15 3HD2 LEU 15 -5.055 -0.224 -5.832 259 H GLU 16 H GLU 16 -4.604 -0.497 -11.383 260 HA GLU 16 HA GLU 16 -7.335 -1.540 -10.934 261 1HB GLU 16 1HB GLU 16 -6.524 -0.858 -13.694 262 2HB GLU 16 2HB GLU 16 -7.946 -0.354 -12.784 263 1HG GLU 16 1HG GLU 16 -6.004 0.981 -11.424 264 2HG GLU 16 2HG GLU 16 -5.306 0.963 -13.044 265 H LEU 17 H LEU 17 -4.332 -2.798 -11.752 266 HA LEU 17 HA LEU 17 -5.375 -4.835 -13.617 267 1HB LEU 17 1HB LEU 17 -2.758 -3.806 -12.860 268 2HB LEU 17 2HB LEU 17 -2.790 -5.569 -12.850 269 HG LEU 17 HG LEU 17 -2.193 -4.687 -15.088 270 1HD1 LEU 17 1HD1 LEU 17 -3.563 -6.814 -14.722 271 2HD1 LEU 17 2HD1 LEU 17 -4.981 -5.859 -15.156 272 3HD1 LEU 17 3HD1 LEU 17 -3.682 -6.088 -16.326 273 1HD2 LEU 17 1HD2 LEU 17 -4.711 -3.157 -14.602 274 2HD2 LEU 17 2HD2 LEU 17 -3.235 -2.654 -15.427 275 3HD2 LEU 17 3HD2 LEU 17 -4.395 -3.694 -16.253 276 H VAL 18 H VAL 18 -4.984 -4.405 -10.249 277 HA VAL 18 HA VAL 18 -4.871 -7.318 -9.733 278 HB VAL 18 HB VAL 18 -5.306 -5.977 -7.295 279 1HG1 VAL 18 1HG1 VAL 18 -3.225 -7.504 -8.674 280 2HG1 VAL 18 2HG1 VAL 18 -2.572 -6.376 -7.487 281 3HG1 VAL 18 3HG1 VAL 18 -3.752 -7.591 -6.994 282 1HG2 VAL 18 1HG2 VAL 18 -3.410 -4.460 -9.110 283 2HG2 VAL 18 2HG2 VAL 18 -4.811 -3.817 -8.252 284 3HG2 VAL 18 3HG2 VAL 18 -3.384 -4.329 -7.351 285 H CYS 19 H CYS 19 -6.931 -4.674 -8.450 286 HA CYS 19 HA CYS 19 -9.083 -6.415 -7.753 287 1HB CYS 19 1HB CYS 19 -8.705 -3.997 -6.996 288 2HB CYS 19 2HB CYS 19 -9.392 -3.513 -8.544 289 H GLY 20 H GLY 20 -9.219 -3.969 -10.352 290 1HA GLY 20 1HA GLY 20 -10.234 -4.046 -12.462 291 2HA GLY 20 2HA GLY 20 -9.796 -5.754 -12.482 292 H GLU 21 H GLU 21 -12.342 -4.077 -13.135 293 HA GLU 21 HA GLU 21 -14.589 -4.790 -13.311 294 1HB GLU 21 1HB GLU 21 -13.380 -7.090 -12.403 295 2HB GLU 21 2HB GLU 21 -14.537 -6.744 -11.117 296 1HG GLU 21 1HG GLU 21 -15.777 -6.285 -13.679 297 2HG GLU 21 2HG GLU 21 -15.076 -7.903 -13.642 298 H ARG 22 H ARG 22 -13.443 -5.006 -9.909 299 HA ARG 22 HA ARG 22 -15.859 -3.543 -9.050 300 1HB ARG 22 1HB ARG 22 -13.519 -4.660 -7.473 301 2HB ARG 22 2HB ARG 22 -14.956 -3.926 -6.764 302 1HG ARG 22 1HG ARG 22 -16.037 -5.891 -6.906 303 2HG ARG 22 2HG ARG 22 -15.814 -5.889 -8.656 304 1HD ARG 22 1HD ARG 22 -13.332 -6.631 -7.901 305 2HD ARG 22 2HD ARG 22 -14.253 -7.290 -6.548 306 HE ARG 22 HE ARG 22 -15.667 -8.139 -8.770 307 1HH1 ARG 22 1HH1 ARG 22 -12.385 -8.279 -7.701 308 2HH1 ARG 22 2HH1 ARG 22 -12.053 -9.777 -8.503 309 1HH2 ARG 22 1HH2 ARG 22 -15.243 -10.093 -9.819 310 2HH2 ARG 22 2HH2 ARG 22 -13.666 -10.802 -9.702 311 H GLY 23 H GLY 23 -12.308 -3.126 -8.805 312 1HA GLY 23 1HA GLY 23 -11.373 -0.910 -9.431 313 2HA GLY 23 2HA GLY 23 -12.806 -0.177 -8.710 314 H PHE 24 H PHE 24 -10.310 0.658 -7.875 315 HA PHE 24 HA PHE 24 -10.165 -0.498 -5.119 316 1HB PHE 24 1HB PHE 24 -7.713 0.133 -5.191 317 2HB PHE 24 2HB PHE 24 -8.159 -1.188 -6.273 318 HD1 PHE 24 HD1 PHE 24 -8.659 -0.647 -8.717 319 HD2 PHE 24 HD2 PHE 24 -6.773 2.136 -6.044 320 HE1 PHE 24 HE1 PHE 24 -7.830 0.655 -10.658 321 HE2 PHE 24 HE2 PHE 24 -5.945 3.439 -7.986 322 HZ PHE 24 HZ PHE 24 -6.473 2.698 -10.291 323 H PHE 25 H PHE 25 -8.542 1.356 -3.920 324 HA PHE 25 HA PHE 25 -9.953 3.940 -4.436 325 1HB PHE 25 1HB PHE 25 -10.381 4.252 -2.187 326 2HB PHE 25 2HB PHE 25 -10.464 2.495 -2.257 327 HD1 PHE 25 HD1 PHE 25 -8.155 1.240 -1.898 328 HD2 PHE 25 HD2 PHE 25 -8.974 5.261 -0.628 329 HE1 PHE 25 HE1 PHE 25 -6.305 1.098 -0.252 330 HE2 PHE 25 HE2 PHE 25 -7.125 5.119 1.017 331 HZ PHE 25 HZ PHE 25 -5.789 3.037 1.206 332 H TYR 26 H TYR 26 -8.551 5.489 -5.057 333 HA TYR 26 HA TYR 26 -5.928 5.706 -3.736 334 1HB TYR 26 1HB TYR 26 -5.688 4.170 -5.764 335 2HB TYR 26 2HB TYR 26 -6.095 5.565 -6.757 336 HD1 TYR 26 HD1 TYR 26 -4.306 6.415 -3.732 337 HD2 TYR 26 HD2 TYR 26 -3.798 5.097 -7.791 338 HE1 TYR 26 HE1 TYR 26 -1.948 7.157 -3.676 339 HE2 TYR 26 HE2 TYR 26 -1.436 5.842 -7.731 340 HH TYR 26 HH TYR 26 -0.203 7.897 -5.882 341 H GLU 27 H GLU 27 -5.409 7.878 -3.515 342 HA GLU 27 HA GLU 27 -7.298 9.894 -4.134 343 1HB GLU 27 1HB GLU 27 -5.511 10.126 -2.422 344 2HB GLU 27 2HB GLU 27 -4.315 10.237 -3.714 345 1HG GLU 27 1HG GLU 27 -4.687 12.468 -3.665 346 2HG GLU 27 2HG GLU 27 -6.221 12.110 -4.460 347 HA PRO 28 HA PRO 28 -6.401 10.013 -8.547 348 1HB PRO 28 1HB PRO 28 -8.476 11.919 -8.910 349 2HB PRO 28 2HB PRO 28 -8.566 10.178 -9.211 350 1HG PRO 28 1HG PRO 28 -9.805 11.693 -7.073 351 2HG PRO 28 2HG PRO 28 -9.985 9.973 -7.450 352 1HD PRO 28 1HD PRO 28 -8.510 11.156 -5.283 353 2HD PRO 28 2HD PRO 28 -8.679 9.436 -5.674 354 H LYS 29 H LYS 29 -5.754 11.802 -10.014 355 HA LYS 29 HA LYS 29 -5.341 14.444 -8.767 356 1HB LYS 29 1HB LYS 29 -2.843 13.778 -9.987 357 2HB LYS 29 2HB LYS 29 -3.155 14.182 -8.301 358 1HG LYS 29 1HG LYS 29 -2.135 12.014 -8.293 359 2HG LYS 29 2HG LYS 29 -3.849 11.752 -7.972 360 1HD LYS 29 1HD LYS 29 -3.875 11.626 -10.673 361 2HD LYS 29 2HD LYS 29 -2.241 11.037 -10.365 362 1HE LYS 29 1HE LYS 29 -4.232 9.882 -8.549 363 2HE LYS 29 2HE LYS 29 -4.540 9.501 -10.244 364 1HZ LYS 29 1HZ LYS 29 -1.872 9.197 -8.998 365 2HZ LYS 29 2HZ LYS 29 -3.017 7.943 -9.023 366 3HZ LYS 29 3HZ LYS 29 -2.409 8.571 -10.480 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -1.097 1.270 1.933 2 2H GLY 1 2H GLY 1 -0.414 0.806 3.418 3 3H GLY 1 3H GLY 1 -0.555 2.450 3.028 4 1HA GLY 1 1HA GLY 1 1.506 2.378 2.248 5 2HA GLY 1 2HA GLY 1 1.528 0.619 2.392 6 H ILE 2 H ILE 2 1.193 3.267 0.216 7 HA ILE 2 HA ILE 2 1.065 1.345 -2.041 8 HB ILE 2 HB ILE 2 -0.880 3.615 -1.574 9 1HG1 ILE 2 1HG1 ILE 2 -1.435 0.780 -2.462 10 2HG1 ILE 2 2HG1 ILE 2 -1.269 1.191 -0.754 11 1HG2 ILE 2 1HG2 ILE 2 0.225 2.544 -4.081 12 2HG2 ILE 2 2HG2 ILE 2 -1.537 2.503 -4.010 13 3HG2 ILE 2 3HG2 ILE 2 -0.682 4.030 -3.796 14 1HD1 ILE 2 1HD1 ILE 2 -3.041 2.928 -1.045 15 2HD1 ILE 2 2HD1 ILE 2 -3.254 2.386 -2.710 16 3HD1 ILE 2 3HD1 ILE 2 -3.626 1.297 -1.373 17 H VAL 3 H VAL 3 1.351 4.780 -1.082 18 HA VAL 3 HA VAL 3 2.964 5.313 -3.499 19 HB VAL 3 HB VAL 3 2.092 7.124 -1.225 20 1HG1 VAL 3 1HG1 VAL 3 4.241 7.512 -2.896 21 2HG1 VAL 3 2HG1 VAL 3 2.938 8.298 -3.791 22 3HG1 VAL 3 3HG1 VAL 3 3.309 8.807 -2.144 23 1HG2 VAL 3 1HG2 VAL 3 1.058 6.570 -4.008 24 2HG2 VAL 3 2HG2 VAL 3 0.167 6.551 -2.486 25 3HG2 VAL 3 3HG2 VAL 3 0.697 8.084 -3.178 26 H GLU 4 H GLU 4 3.412 5.014 0.002 27 HA GLU 4 HA GLU 4 6.237 5.803 -0.213 28 1HB GLU 4 1HB GLU 4 4.920 4.449 2.140 29 2HB GLU 4 2HB GLU 4 6.335 5.501 2.146 30 1HG GLU 4 1HG GLU 4 4.778 7.323 1.224 31 2HG GLU 4 2HG GLU 4 3.449 6.266 1.701 32 H GLN 5 H GLN 5 4.443 3.028 -0.840 33 HA GLN 5 HA GLN 5 6.728 1.224 -0.214 34 1HB GLN 5 1HB GLN 5 4.002 0.360 -1.181 35 2HB GLN 5 2HB GLN 5 5.194 -0.581 -0.285 36 1HG GLN 5 1HG GLN 5 4.023 1.913 0.928 37 2HG GLN 5 2HG GLN 5 3.135 0.391 1.000 38 1HE2 GLN 5 1HE2 GLN 5 5.052 -1.510 1.475 39 2HE2 GLN 5 2HE2 GLN 5 5.903 -1.178 2.906 40 H CYS 6 H CYS 6 4.865 2.583 -2.876 41 HA CYS 6 HA CYS 6 6.467 0.903 -4.758 42 1HB CYS 6 1HB CYS 6 3.885 2.429 -5.176 43 2HB CYS 6 2HB CYS 6 4.725 1.512 -6.428 44 H CYS 7 H CYS 7 5.848 4.141 -3.678 45 HA CYS 7 HA CYS 7 7.199 5.354 -5.994 46 1HB CYS 7 1HB CYS 7 5.316 6.401 -4.502 47 2HB CYS 7 2HB CYS 7 6.651 6.809 -3.426 48 H HIS 8 H HIS 8 7.850 4.617 -2.586 49 HA HIS 8 HA HIS 8 10.612 5.632 -2.819 50 1HB HIS 8 1HB HIS 8 9.212 4.179 -0.549 51 2HB HIS 8 2HB HIS 8 10.810 4.919 -0.459 52 HD1 HIS 8 HD1 HIS 8 8.770 6.028 1.453 53 HD2 HIS 8 HD2 HIS 8 9.194 7.504 -2.424 54 HE1 HIS 8 HE1 HIS 8 7.800 8.369 1.466 55 H SER 9 H SER 9 8.891 2.756 -3.423 56 HA SER 9 HA SER 9 11.418 1.322 -3.929 57 1HB SER 9 1HB SER 9 11.181 -0.319 -2.358 58 2HB SER 9 2HB SER 9 10.225 0.894 -1.509 59 HG SER 9 HG SER 9 8.728 -0.588 -1.674 60 H ILE 10 H ILE 10 10.610 -1.059 -4.758 61 HA ILE 10 HA ILE 10 8.529 -0.427 -6.803 62 HB ILE 10 HB ILE 10 10.530 -2.689 -6.923 63 1HG1 ILE 10 1HG1 ILE 10 11.523 -0.799 -8.619 64 2HG1 ILE 10 2HG1 ILE 10 10.907 0.224 -7.321 65 1HG2 ILE 10 1HG2 ILE 10 8.455 -1.538 -8.658 66 2HG2 ILE 10 2HG2 ILE 10 10.010 -1.749 -9.464 67 3HG2 ILE 10 3HG2 ILE 10 9.211 -3.130 -8.715 68 1HD1 ILE 10 1HD1 ILE 10 12.216 -1.980 -6.093 69 2HD1 ILE 10 2HD1 ILE 10 13.293 -1.371 -7.350 70 3HD1 ILE 10 3HD1 ILE 10 12.713 -0.288 -6.085 71 H CYS 11 H CYS 11 6.681 -1.642 -6.868 72 HA CYS 11 HA CYS 11 6.533 -3.993 -5.021 73 1HB CYS 11 1HB CYS 11 4.081 -2.531 -5.946 74 2HB CYS 11 2HB CYS 11 4.350 -3.417 -4.446 75 H SER 12 H SER 12 3.833 -4.570 -6.201 76 HA SER 12 HA SER 12 4.337 -5.186 -9.016 77 1HB SER 12 1HB SER 12 3.747 -7.724 -8.246 78 2HB SER 12 2HB SER 12 5.392 -7.149 -8.497 79 HG SER 12 HG SER 12 4.530 -8.163 -6.335 80 H LEU 13 H LEU 13 2.379 -7.185 -6.894 81 HA LEU 13 HA LEU 13 -0.043 -5.598 -7.448 82 1HB LEU 13 1HB LEU 13 0.519 -8.291 -8.667 83 2HB LEU 13 2HB LEU 13 -1.140 -7.822 -8.288 84 HG LEU 13 HG LEU 13 0.748 -6.118 -9.933 85 1HD1 LEU 13 1HD1 LEU 13 -0.195 -8.516 -10.771 86 2HD1 LEU 13 2HD1 LEU 13 -1.562 -7.487 -11.199 87 3HD1 LEU 13 3HD1 LEU 13 0.040 -7.143 -11.852 88 1HD2 LEU 13 1HD2 LEU 13 -1.658 -5.529 -8.634 89 2HD2 LEU 13 2HD2 LEU 13 -0.912 -4.585 -9.924 90 3HD2 LEU 13 3HD2 LEU 13 -2.125 -5.804 -10.312 91 H TYR 14 H TYR 14 1.433 -8.477 -5.985 92 HA TYR 14 HA TYR 14 -0.620 -9.420 -4.368 93 1HB TYR 14 1HB TYR 14 1.915 -10.096 -4.493 94 2HB TYR 14 2HB TYR 14 2.093 -8.964 -3.152 95 HD1 TYR 14 HD1 TYR 14 0.782 -9.310 -1.042 96 HD2 TYR 14 HD2 TYR 14 0.861 -12.225 -4.196 97 HE1 TYR 14 HE1 TYR 14 -0.080 -11.029 0.525 98 HE2 TYR 14 HE2 TYR 14 0.000 -13.943 -2.630 99 HH TYR 14 HH TYR 14 0.149 -13.819 0.495 100 H GLN 15 H GLN 15 1.405 -6.551 -3.844 101 HA GLN 15 HA GLN 15 0.205 -5.891 -1.290 102 1HB GLN 15 1HB GLN 15 1.555 -3.944 -3.167 103 2HB GLN 15 2HB GLN 15 1.474 -3.880 -1.407 104 1HG GLN 15 1HG GLN 15 2.630 -6.357 -1.910 105 2HG GLN 15 2HG GLN 15 3.363 -5.305 -3.122 106 1HE2 GLN 15 2HE2 GLN 15 4.818 -3.658 -2.397 107 2HE2 GLN 15 1HE2 GLN 15 5.277 -3.485 -0.771 108 H LEU 16 H LEU 16 -0.414 -4.978 -4.660 109 HA LEU 16 HA LEU 16 -2.581 -3.149 -3.820 110 1HB LEU 16 1HB LEU 16 -2.034 -3.929 -6.673 111 2HB LEU 16 2HB LEU 16 -2.619 -2.393 -6.034 112 HG LEU 16 HG LEU 16 0.182 -3.508 -5.713 113 1HD1 LEU 16 1HD1 LEU 16 -1.047 -2.003 -7.788 114 2HD1 LEU 16 2HD1 LEU 16 0.005 -0.898 -6.904 115 3HD1 LEU 16 3HD1 LEU 16 0.665 -2.378 -7.598 116 1HD2 LEU 16 1HD2 LEU 16 -1.225 -1.088 -4.578 117 2HD2 LEU 16 2HD2 LEU 16 -0.259 -2.294 -3.728 118 3HD2 LEU 16 3HD2 LEU 16 0.527 -1.116 -4.780 119 H GLU 17 H GLU 17 -2.461 -6.314 -3.747 120 HA GLU 17 HA GLU 17 -4.804 -6.967 -5.398 121 1HB GLU 17 1HB GLU 17 -2.977 -8.516 -3.576 122 2HB GLU 17 2HB GLU 17 -4.516 -9.213 -4.087 123 1HG GLU 17 1HG GLU 17 -2.966 -7.988 -6.272 124 2HG GLU 17 2HG GLU 17 -2.184 -9.381 -5.526 125 H ASN 18 H ASN 18 -4.165 -5.882 -2.193 126 HA ASN 18 HA ASN 18 -6.845 -6.784 -1.266 127 1HB ASN 18 1HB ASN 18 -5.133 -5.254 0.599 128 2HB ASN 18 2HB ASN 18 -6.032 -6.748 0.861 129 1HD2 ASN 18 2HD2 ASN 18 -2.887 -5.486 0.387 130 2HD2 ASN 18 1HD2 ASN 18 -2.094 -6.953 0.069 131 H TYR 19 H TYR 19 -5.779 -4.300 -3.014 132 HA TYR 19 HA TYR 19 -7.294 -2.215 -1.518 133 1HB TYR 19 1HB TYR 19 -5.588 -1.858 -3.997 134 2HB TYR 19 2HB TYR 19 -6.193 -0.594 -2.926 135 HD1 TYR 19 HD1 TYR 19 -5.656 -2.670 -0.469 136 HD2 TYR 19 HD2 TYR 19 -3.290 -0.869 -3.568 137 HE1 TYR 19 HE1 TYR 19 -3.633 -2.895 0.947 138 HE2 TYR 19 HE2 TYR 19 -1.266 -1.095 -2.153 139 HH TYR 19 HH TYR 19 -1.367 -1.704 1.115 140 H CYS 20 H CYS 20 -8.190 -4.573 -3.399 141 HA CYS 20 HA CYS 20 -9.623 -3.070 -5.492 142 1HB CYS 20 1HB CYS 20 -8.851 -5.193 -6.225 143 2HB CYS 20 2HB CYS 20 -9.401 -5.993 -4.755 144 H ASN 21 H ASN 21 -11.435 -2.006 -4.877 145 HA ASN 21 HA ASN 21 -12.872 -2.452 -2.464 146 1HB ASN 21 1HB ASN 21 -13.719 -1.157 -5.071 147 2HB ASN 21 2HB ASN 21 -14.693 -1.120 -3.601 148 1HD2 ASN 21 2HD2 ASN 21 -12.877 0.923 -5.236 149 2HD2 ASN 21 1HD2 ASN 21 -12.068 1.742 -3.988 150 1H GLU 1 1H GLU 1 18.383 -7.263 -13.423 151 2H GLU 1 2H GLU 1 17.732 -8.763 -12.963 152 3H GLU 1 3H GLU 1 17.258 -8.042 -14.427 153 HA GLU 1 HA GLU 1 15.514 -7.740 -12.833 154 1HB GLU 1 1HB GLU 1 17.832 -7.164 -11.119 155 2HB GLU 1 2HB GLU 1 16.509 -6.014 -10.923 156 1HG GLU 1 1HG GLU 1 15.997 -8.987 -10.950 157 2HG GLU 1 2HG GLU 1 16.463 -8.155 -9.466 158 H VAL 2 H VAL 2 14.279 -6.122 -13.666 159 HA VAL 2 HA VAL 2 15.585 -3.489 -14.196 160 HB VAL 2 HB VAL 2 15.358 -4.854 -16.303 161 1HG1 VAL 2 1HG1 VAL 2 13.205 -5.948 -15.525 162 2HG1 VAL 2 2HG1 VAL 2 12.390 -4.426 -15.884 163 3HG1 VAL 2 3HG1 VAL 2 13.171 -5.336 -17.177 164 1HG2 VAL 2 1HG2 VAL 2 15.175 -2.261 -16.075 165 2HG2 VAL 2 2HG2 VAL 2 14.661 -3.005 -17.589 166 3HG2 VAL 2 3HG2 VAL 2 13.460 -2.513 -16.395 167 H ASN 3 H ASN 3 13.381 -4.960 -12.372 168 HA ASN 3 HA ASN 3 10.944 -3.542 -12.784 169 1HB ASN 3 1HB ASN 3 12.219 -4.855 -10.391 170 2HB ASN 3 2HB ASN 3 10.717 -3.946 -10.211 171 1HD2 ASN 3 2HD2 ASN 3 11.667 -7.042 -10.516 172 2HD2 ASN 3 1HD2 ASN 3 10.399 -7.673 -11.451 173 H GLN 4 H GLN 4 10.249 -1.521 -12.055 174 HA GLN 4 HA GLN 4 12.270 0.132 -10.598 175 1HB GLN 4 1HB GLN 4 12.120 0.647 -13.082 176 2HB GLN 4 2HB GLN 4 10.461 1.171 -12.794 177 1HG GLN 4 1HG GLN 4 11.305 2.788 -11.094 178 2HG GLN 4 2HG GLN 4 12.953 2.314 -11.503 179 1HE2 GLN 4 2HE2 GLN 4 11.133 4.872 -11.994 180 2HE2 GLN 4 1HE2 GLN 4 11.466 5.240 -13.617 181 H HIS 5 H HIS 5 11.276 1.961 -9.418 182 HA HIS 5 HA HIS 5 8.971 1.159 -7.918 183 1HB HIS 5 1HB HIS 5 9.583 4.070 -8.055 184 2HB HIS 5 2HB HIS 5 9.327 3.042 -6.647 185 HD1 HIS 5 HD1 HIS 5 11.390 1.665 -5.782 186 HD2 HIS 5 HD2 HIS 5 12.269 4.264 -8.918 187 HE1 HIS 5 HE1 HIS 5 13.914 1.818 -5.897 188 H LEU 6 H LEU 6 6.799 1.563 -8.252 189 HA LEU 6 HA LEU 6 6.067 2.805 -10.837 190 1HB LEU 6 1HB LEU 6 4.871 0.846 -9.015 191 2HB LEU 6 2HB LEU 6 3.712 2.047 -9.582 192 HG LEU 6 HG LEU 6 4.765 1.588 -11.923 193 1HD1 LEU 6 1HD1 LEU 6 6.578 0.145 -10.806 194 2HD1 LEU 6 2HD1 LEU 6 5.322 -1.079 -10.619 195 3HD1 LEU 6 3HD1 LEU 6 5.790 -0.535 -12.230 196 1HD2 LEU 6 1HD2 LEU 6 2.444 0.922 -10.941 197 2HD2 LEU 6 2HD2 LEU 6 3.016 0.071 -12.375 198 3HD2 LEU 6 3HD2 LEU 6 3.144 -0.689 -10.789 199 H CYS 7 H CYS 7 6.237 5.041 -10.518 200 HA CYS 7 HA CYS 7 4.236 6.189 -8.639 201 1HB CYS 7 1HB CYS 7 6.785 6.142 -7.830 202 2HB CYS 7 2HB CYS 7 6.875 7.574 -8.854 203 H GLY 8 H GLY 8 2.950 7.471 -9.874 204 1HA GLY 8 1HA GLY 8 3.166 9.703 -11.178 205 2HA GLY 8 2HA GLY 8 4.151 8.752 -12.291 206 H SER 9 H SER 9 1.110 7.935 -10.608 207 HA SER 9 HA SER 9 -1.030 7.510 -11.514 208 1HB SER 9 1HB SER 9 -0.032 7.900 -14.312 209 2HB SER 9 2HB SER 9 -1.598 8.311 -13.618 210 HG SER 9 HG SER 9 -0.409 10.188 -13.900 211 H GLU 10 H GLU 10 1.862 5.932 -12.225 212 HA GLU 10 HA GLU 10 0.708 3.796 -13.864 213 1HB GLU 10 1HB GLU 10 2.900 2.700 -13.552 214 2HB GLU 10 2HB GLU 10 3.099 4.375 -14.067 215 1HG GLU 10 1HG GLU 10 3.093 4.764 -11.410 216 2HG GLU 10 2HG GLU 10 3.716 3.114 -11.439 217 H LEU 11 H LEU 11 1.335 4.423 -10.470 218 HA LEU 11 HA LEU 11 0.932 1.726 -9.548 219 1HB LEU 11 1HB LEU 11 1.959 3.759 -8.302 220 2HB LEU 11 2HB LEU 11 0.290 4.203 -7.950 221 HG LEU 11 HG LEU 11 1.281 2.846 -6.129 222 1HD1 LEU 11 1HD1 LEU 11 -1.200 2.629 -7.158 223 2HD1 LEU 11 2HD1 LEU 11 -0.657 0.965 -7.374 224 3HD1 LEU 11 3HD1 LEU 11 -0.664 1.688 -5.766 225 1HD2 LEU 11 1HD2 LEU 11 2.792 1.555 -7.711 226 2HD2 LEU 11 2HD2 LEU 11 1.965 0.573 -6.503 227 3HD2 LEU 11 3HD2 LEU 11 1.378 0.601 -8.162 228 H VAL 12 H VAL 12 -1.185 4.427 -10.288 229 HA VAL 12 HA VAL 12 -3.562 3.103 -9.186 230 HB VAL 12 HB VAL 12 -2.997 5.697 -9.535 231 1HG1 VAL 12 1HG1 VAL 12 -2.894 5.338 -12.059 232 2HG1 VAL 12 2HG1 VAL 12 -4.641 5.107 -12.003 233 3HG1 VAL 12 3HG1 VAL 12 -3.941 6.647 -11.511 234 1HG2 VAL 12 1HG2 VAL 12 -5.138 4.328 -8.683 235 2HG2 VAL 12 2HG2 VAL 12 -5.181 6.076 -8.921 236 3HG2 VAL 12 3HG2 VAL 12 -5.826 5.002 -10.161 237 H GLU 13 H GLU 13 -2.113 3.682 -12.381 238 HA GLU 13 HA GLU 13 -4.258 2.564 -13.920 239 1HB GLU 13 1HB GLU 13 -1.428 3.294 -14.379 240 2HB GLU 13 2HB GLU 13 -2.038 2.007 -15.419 241 1HG GLU 13 1HG GLU 13 -3.377 3.422 -16.574 242 2HG GLU 13 2HG GLU 13 -3.928 4.229 -15.105 243 H ALA 14 H ALA 14 -1.708 1.167 -12.017 244 HA ALA 14 HA ALA 14 -2.170 -1.528 -13.159 245 1HB ALA 14 1HB ALA 14 -0.082 -0.252 -11.518 246 2HB ALA 14 2HB ALA 14 -0.529 -1.867 -10.964 247 3HB ALA 14 3HB ALA 14 0.037 -1.627 -12.617 248 H LEU 15 H LEU 15 -3.070 0.482 -10.492 249 HA LEU 15 HA LEU 15 -3.920 -1.582 -8.677 250 1HB LEU 15 1HB LEU 15 -4.157 1.342 -8.908 251 2HB LEU 15 2HB LEU 15 -5.551 0.584 -8.145 252 HG LEU 15 HG LEU 15 -2.691 0.027 -7.330 253 1HD1 LEU 15 1HD1 LEU 15 -3.763 2.434 -6.975 254 2HD1 LEU 15 2HD1 LEU 15 -4.592 1.618 -5.649 255 3HD1 LEU 15 3HD1 LEU 15 -2.829 1.661 -5.692 256 1HD2 LEU 15 1HD2 LEU 15 -4.433 -1.717 -6.848 257 2HD2 LEU 15 2HD2 LEU 15 -3.720 -1.024 -5.392 258 3HD2 LEU 15 3HD2 LEU 15 -5.323 -0.510 -5.919 259 H GLU 16 H GLU 16 -5.446 0.086 -11.396 260 HA GLU 16 HA GLU 16 -8.090 -1.000 -10.950 261 1HB GLU 16 1HB GLU 16 -6.683 0.539 -13.045 262 2HB GLU 16 2HB GLU 16 -7.990 -0.489 -13.634 263 1HG GLU 16 1HG GLU 16 -9.251 0.575 -11.535 264 2HG GLU 16 2HG GLU 16 -8.092 1.872 -11.822 265 H LEU 17 H LEU 17 -5.168 -2.388 -11.961 266 HA LEU 17 HA LEU 17 -6.390 -4.361 -13.766 267 1HB LEU 17 1HB LEU 17 -3.714 -3.443 -13.150 268 2HB LEU 17 2HB LEU 17 -3.795 -5.203 -13.071 269 HG LEU 17 HG LEU 17 -4.829 -5.266 -15.307 270 1HD1 LEU 17 1HD1 LEU 17 -5.220 -2.470 -14.750 271 2HD1 LEU 17 2HD1 LEU 17 -4.297 -2.640 -16.243 272 3HD1 LEU 17 3HD1 LEU 17 -5.867 -3.427 -16.081 273 1HD2 LEU 17 1HD2 LEU 17 -2.159 -4.432 -14.689 274 2HD2 LEU 17 2HD2 LEU 17 -2.714 -5.382 -16.068 275 3HD2 LEU 17 3HD2 LEU 17 -2.661 -3.622 -16.173 276 H VAL 18 H VAL 18 -5.501 -4.110 -10.392 277 HA VAL 18 HA VAL 18 -5.669 -7.013 -9.988 278 HB VAL 18 HB VAL 18 -5.889 -5.834 -7.474 279 1HG1 VAL 18 1HG1 VAL 18 -4.473 -7.742 -8.115 280 2HG1 VAL 18 2HG1 VAL 18 -3.411 -6.653 -9.008 281 3HG1 VAL 18 3HG1 VAL 18 -3.530 -6.525 -7.255 282 1HG2 VAL 18 1HG2 VAL 18 -4.041 -4.203 -9.236 283 2HG2 VAL 18 2HG2 VAL 18 -5.445 -3.609 -8.351 284 3HG2 VAL 18 3HG2 VAL 18 -4.025 -4.171 -7.474 285 H CYS 19 H CYS 19 -7.743 -4.184 -9.581 286 HA CYS 19 HA CYS 19 -9.884 -5.890 -8.441 287 1HB CYS 19 1HB CYS 19 -9.269 -3.456 -7.685 288 2HB CYS 19 2HB CYS 19 -10.187 -2.973 -9.109 289 H GLY 20 H GLY 20 -9.619 -3.472 -11.071 290 1HA GLY 20 1HA GLY 20 -10.923 -3.279 -13.035 291 2HA GLY 20 2HA GLY 20 -10.353 -4.932 -13.264 292 H GLU 21 H GLU 21 -12.838 -3.280 -11.262 293 HA GLU 21 HA GLU 21 -15.093 -4.447 -12.453 294 1HB GLU 21 1HB GLU 21 -13.602 -6.459 -11.247 295 2HB GLU 21 2HB GLU 21 -14.836 -6.089 -10.043 296 1HG GLU 21 1HG GLU 21 -16.073 -6.108 -12.628 297 2HG GLU 21 2HG GLU 21 -15.137 -7.591 -12.445 298 H ARG 22 H ARG 22 -13.670 -3.846 -9.240 299 HA ARG 22 HA ARG 22 -16.167 -2.343 -8.554 300 1HB ARG 22 1HB ARG 22 -14.292 -3.954 -6.799 301 2HB ARG 22 2HB ARG 22 -15.512 -2.853 -6.154 302 1HG ARG 22 1HG ARG 22 -17.294 -4.108 -7.225 303 2HG ARG 22 2HG ARG 22 -16.122 -5.142 -8.044 304 1HD ARG 22 1HD ARG 22 -15.440 -5.272 -5.321 305 2HD ARG 22 2HD ARG 22 -17.199 -5.375 -5.361 306 HE ARG 22 HE ARG 22 -16.351 -7.132 -7.348 307 1HH1 ARG 22 1HH1 ARG 22 -15.785 -6.655 -3.974 308 2HH1 ARG 22 2HH1 ARG 22 -15.460 -8.327 -3.662 309 1HH2 ARG 22 1HH2 ARG 22 -15.927 -9.311 -6.952 310 2HH2 ARG 22 2HH2 ARG 22 -15.541 -9.828 -5.344 311 H GLY 23 H GLY 23 -13.229 -1.743 -9.648 312 1HA GLY 23 1HA GLY 23 -11.742 0.063 -9.449 313 2HA GLY 23 2HA GLY 23 -13.070 0.919 -8.658 314 H PHE 24 H PHE 24 -10.425 1.254 -7.757 315 HA PHE 24 HA PHE 24 -10.507 -0.237 -5.162 316 1HB PHE 24 1HB PHE 24 -8.006 0.148 -5.122 317 2HB PHE 24 2HB PHE 24 -8.561 -0.953 -6.385 318 HD1 PHE 24 HD1 PHE 24 -7.554 2.566 -5.707 319 HD2 PHE 24 HD2 PHE 24 -8.260 -0.443 -8.688 320 HE1 PHE 24 HE1 PHE 24 -6.563 4.046 -7.434 321 HE2 PHE 24 HE2 PHE 24 -7.267 1.038 -10.412 322 HZ PHE 24 HZ PHE 24 -6.424 3.277 -9.788 323 H PHE 25 H PHE 25 -9.679 0.976 -3.308 324 HA PHE 25 HA PHE 25 -10.422 3.834 -3.482 325 1HB PHE 25 1HB PHE 25 -11.414 2.937 -1.579 326 2HB PHE 25 2HB PHE 25 -10.086 1.818 -1.286 327 HD1 PHE 25 HD1 PHE 25 -10.327 5.551 -1.686 328 HD2 PHE 25 HD2 PHE 25 -9.034 2.249 0.738 329 HE1 PHE 25 HE1 PHE 25 -9.342 7.135 -0.051 330 HE2 PHE 25 HE2 PHE 25 -8.049 3.833 2.372 331 HZ PHE 25 HZ PHE 25 -8.203 6.276 1.978 332 H TYR 26 H TYR 26 -8.743 5.088 -4.202 333 HA TYR 26 HA TYR 26 -6.371 5.403 -2.614 334 1HB TYR 26 1HB TYR 26 -5.591 3.343 -3.565 335 2HB TYR 26 2HB TYR 26 -6.124 3.812 -5.180 336 HD1 TYR 26 HD1 TYR 26 -4.127 5.486 -2.473 337 HD2 TYR 26 HD2 TYR 26 -4.332 4.283 -6.592 338 HE1 TYR 26 HE1 TYR 26 -1.926 6.548 -2.892 339 HE2 TYR 26 HE2 TYR 26 -2.131 5.345 -7.011 340 HH TYR 26 HH TYR 26 -0.794 7.558 -5.236 341 H GLU 27 H GLU 27 -7.909 5.805 -5.783 342 HA GLU 27 HA GLU 27 -6.329 7.964 -6.727 343 1HB GLU 27 1HB GLU 27 -9.301 7.580 -7.178 344 2HB GLU 27 2HB GLU 27 -8.181 8.469 -8.211 345 1HG GLU 27 1HG GLU 27 -7.561 6.581 -9.271 346 2HG GLU 27 2HG GLU 27 -7.201 5.786 -7.737 347 HA PRO 28 HA PRO 28 -7.440 10.929 -3.557 348 1HB PRO 28 1HB PRO 28 -6.043 12.978 -4.954 349 2HB PRO 28 2HB PRO 28 -5.459 12.037 -3.575 350 1HG PRO 28 1HG PRO 28 -4.646 11.854 -6.354 351 2HG PRO 28 2HG PRO 28 -3.961 11.024 -4.949 352 1HD PRO 28 1HD PRO 28 -5.587 9.891 -7.012 353 2HD PRO 28 2HD PRO 28 -4.985 9.088 -5.551 354 H LYS 29 H LYS 29 -7.379 11.909 -7.004 355 HA LYS 29 HA LYS 29 -9.983 13.298 -6.524 356 1HB LYS 29 1HB LYS 29 -9.236 14.682 -8.583 357 2HB LYS 29 2HB LYS 29 -8.450 15.021 -7.041 358 1HG LYS 29 1HG LYS 29 -6.584 13.520 -7.671 359 2HG LYS 29 2HG LYS 29 -7.361 13.222 -9.227 360 1HD LYS 29 1HD LYS 29 -5.979 14.957 -9.855 361 2HD LYS 29 2HD LYS 29 -7.360 15.901 -9.295 362 1HE LYS 29 1HE LYS 29 -6.314 16.514 -7.314 363 2HE LYS 29 2HE LYS 29 -5.269 15.093 -7.306 364 1HZ LYS 29 1HZ LYS 29 -4.961 16.990 -9.506 365 2HZ LYS 29 2HZ LYS 29 -4.385 17.466 -7.980 366 3HZ LYS 29 3HZ LYS 29 -3.789 16.054 -8.707 Start of MODEL 16 1 1H GLY 1 1H GLY 1 0.696 3.770 1.610 2 2H GLY 1 2H GLY 1 0.991 2.970 3.076 3 3H GLY 1 3H GLY 1 2.083 2.806 1.786 4 1HA GLY 1 1HA GLY 1 0.788 0.817 1.912 5 2HA GLY 1 2HA GLY 1 -0.696 1.772 1.905 6 H ILE 2 H ILE 2 -0.176 3.640 -0.056 7 HA ILE 2 HA ILE 2 0.045 1.903 -2.468 8 HB ILE 2 HB ILE 2 -1.700 4.162 -1.704 9 1HG1 ILE 2 1HG1 ILE 2 -2.410 1.799 -2.156 10 2HG1 ILE 2 2HG1 ILE 2 -3.259 2.990 -3.142 11 1HG2 ILE 2 1HG2 ILE 2 -0.321 5.292 -3.424 12 2HG2 ILE 2 2HG2 ILE 2 -0.650 3.970 -4.545 13 3HG2 ILE 2 3HG2 ILE 2 -1.965 5.012 -4.000 14 1HD1 ILE 2 1HD1 ILE 2 -1.353 2.548 -4.876 15 2HD1 ILE 2 2HD1 ILE 2 -1.093 1.066 -3.958 16 3HD1 ILE 2 3HD1 ILE 2 -2.652 1.368 -4.724 17 H VAL 3 H VAL 3 0.807 5.236 -1.409 18 HA VAL 3 HA VAL 3 2.714 5.598 -3.572 19 HB VAL 3 HB VAL 3 2.007 7.171 -1.091 20 1HG1 VAL 3 1HG1 VAL 3 4.513 7.238 -2.512 21 2HG1 VAL 3 2HG1 VAL 3 3.640 8.742 -2.801 22 3HG1 VAL 3 3HG1 VAL 3 3.992 8.230 -1.152 23 1HG2 VAL 3 1HG2 VAL 3 1.310 7.172 -3.942 24 2HG2 VAL 3 2HG2 VAL 3 0.455 7.891 -2.577 25 3HG2 VAL 3 3HG2 VAL 3 1.783 8.763 -3.346 26 H GLU 4 H GLU 4 3.288 5.732 -0.050 27 HA GLU 4 HA GLU 4 6.044 5.418 -0.061 28 1HB GLU 4 1HB GLU 4 3.936 5.118 1.842 29 2HB GLU 4 2HB GLU 4 5.090 3.804 2.069 30 1HG GLU 4 1HG GLU 4 6.682 5.202 2.864 31 2HG GLU 4 2HG GLU 4 6.389 6.383 1.587 32 H GLN 5 H GLN 5 3.632 2.916 -0.615 33 HA GLN 5 HA GLN 5 5.605 0.763 -0.420 34 1HB GLN 5 1HB GLN 5 2.710 0.994 -0.712 35 2HB GLN 5 2HB GLN 5 3.389 -0.264 -1.745 36 1HG GLN 5 1HG GLN 5 2.961 -1.349 0.324 37 2HG GLN 5 2HG GLN 5 4.695 -1.031 0.334 38 1HE2 GLN 5 2HE2 GLN 5 5.131 1.399 1.265 39 2HE2 GLN 5 1HE2 GLN 5 4.311 1.733 2.712 40 H CYS 6 H CYS 6 4.087 2.631 -3.026 41 HA CYS 6 HA CYS 6 5.781 1.094 -4.952 42 1HB CYS 6 1HB CYS 6 3.195 2.610 -5.359 43 2HB CYS 6 2HB CYS 6 4.137 1.893 -6.667 44 H CYS 7 H CYS 7 4.378 4.365 -4.523 45 HA CYS 7 HA CYS 7 6.119 5.675 -6.334 46 1HB CYS 7 1HB CYS 7 4.289 6.474 -4.182 47 2HB CYS 7 2HB CYS 7 5.591 7.617 -4.505 48 H HIS 8 H HIS 8 6.673 4.662 -3.011 49 HA HIS 8 HA HIS 8 9.192 6.233 -2.951 50 1HB HIS 8 1HB HIS 8 7.577 4.780 -0.867 51 2HB HIS 8 2HB HIS 8 9.257 5.215 -0.559 52 HD1 HIS 8 HD1 HIS 8 5.894 6.780 -1.307 53 HD2 HIS 8 HD2 HIS 8 9.711 7.956 -0.110 54 HE1 HIS 8 HE1 HIS 8 5.714 9.212 -0.626 55 H SER 9 H SER 9 8.011 2.965 -3.303 56 HA SER 9 HA SER 9 10.814 2.088 -3.728 57 1HB SER 9 1HB SER 9 9.595 -0.072 -2.405 58 2HB SER 9 2HB SER 9 10.875 0.964 -1.779 59 HG SER 9 HG SER 9 8.932 0.875 -0.474 60 H ILE 10 H ILE 10 10.770 -0.254 -4.640 61 HA ILE 10 HA ILE 10 8.801 -0.278 -6.822 62 HB ILE 10 HB ILE 10 10.871 -2.409 -6.291 63 1HG1 ILE 10 1HG1 ILE 10 11.421 0.051 -7.945 64 2HG1 ILE 10 2HG1 ILE 10 11.750 0.047 -6.211 65 1HG2 ILE 10 1HG2 ILE 10 8.950 -1.951 -8.300 66 2HG2 ILE 10 2HG2 ILE 10 10.502 -1.522 -9.021 67 3HG2 ILE 10 3HG2 ILE 10 10.262 -3.129 -8.335 68 1HD1 ILE 10 1HD1 ILE 10 12.772 -2.390 -7.263 69 2HD1 ILE 10 2HD1 ILE 10 13.324 -1.092 -8.322 70 3HD1 ILE 10 3HD1 ILE 10 13.682 -1.036 -6.595 71 H CYS 11 H CYS 11 6.818 -1.075 -6.276 72 HA CYS 11 HA CYS 11 6.640 -3.313 -4.342 73 1HB CYS 11 1HB CYS 11 4.144 -2.923 -4.622 74 2HB CYS 11 2HB CYS 11 5.042 -1.563 -3.951 75 H SER 12 H SER 12 4.859 -5.009 -5.019 76 HA SER 12 HA SER 12 5.611 -5.941 -7.748 77 1HB SER 12 1HB SER 12 4.376 -8.079 -6.674 78 2HB SER 12 2HB SER 12 6.087 -7.748 -6.415 79 HG SER 12 HG SER 12 5.582 -6.803 -4.462 80 H LEU 13 H LEU 13 2.770 -6.996 -5.970 81 HA LEU 13 HA LEU 13 0.921 -5.349 -7.514 82 1HB LEU 13 1HB LEU 13 1.738 -7.967 -8.504 83 2HB LEU 13 2HB LEU 13 -0.002 -7.884 -8.226 84 HG LEU 13 HG LEU 13 1.492 -5.721 -9.715 85 1HD1 LEU 13 1HD1 LEU 13 1.749 -7.980 -10.815 86 2HD1 LEU 13 2HD1 LEU 13 -0.008 -8.055 -10.935 87 3HD1 LEU 13 3HD1 LEU 13 0.880 -6.796 -11.791 88 1HD2 LEU 13 1HD2 LEU 13 -0.795 -5.276 -8.749 89 2HD2 LEU 13 2HD2 LEU 13 -0.720 -5.126 -10.504 90 3HD2 LEU 13 3HD2 LEU 13 -1.419 -6.569 -9.772 91 H TYR 14 H TYR 14 1.441 -8.166 -5.427 92 HA TYR 14 HA TYR 14 -1.209 -8.533 -4.512 93 1HB TYR 14 1HB TYR 14 1.172 -8.748 -2.673 94 2HB TYR 14 2HB TYR 14 -0.278 -9.751 -2.717 95 HD1 TYR 14 HD1 TYR 14 -0.654 -10.632 -5.365 96 HD2 TYR 14 HD2 TYR 14 3.068 -9.926 -3.340 97 HE1 TYR 14 HE1 TYR 14 0.481 -12.213 -6.900 98 HE2 TYR 14 HE2 TYR 14 4.203 -11.508 -4.876 99 HH TYR 14 HH TYR 14 3.284 -12.366 -7.640 100 H GLN 15 H GLN 15 1.227 -6.145 -3.603 101 HA GLN 15 HA GLN 15 -0.100 -5.132 -1.276 102 1HB GLN 15 1HB GLN 15 1.489 -3.365 -3.122 103 2HB GLN 15 2HB GLN 15 1.435 -3.362 -1.359 104 1HG GLN 15 1HG GLN 15 2.406 -5.809 -1.646 105 2HG GLN 15 2HG GLN 15 2.940 -5.179 -3.204 106 1HE2 GLN 15 2HE2 GLN 15 2.750 -3.675 0.075 107 2HE2 GLN 15 1HE2 GLN 15 4.372 -3.177 0.099 108 H LEU 16 H LEU 16 -0.494 -4.493 -4.719 109 HA LEU 16 HA LEU 16 -2.417 -2.317 -4.178 110 1HB LEU 16 1HB LEU 16 -2.276 -3.299 -6.941 111 2HB LEU 16 2HB LEU 16 -2.056 -1.666 -6.321 112 HG LEU 16 HG LEU 16 0.014 -3.881 -6.363 113 1HD1 LEU 16 1HD1 LEU 16 -0.495 -2.591 -8.494 114 2HD1 LEU 16 2HD1 LEU 16 0.072 -1.146 -7.657 115 3HD1 LEU 16 3HD1 LEU 16 1.175 -2.494 -7.934 116 1HD2 LEU 16 1HD2 LEU 16 -0.242 -1.913 -4.437 117 2HD2 LEU 16 2HD2 LEU 16 1.267 -2.715 -4.869 118 3HD2 LEU 16 3HD2 LEU 16 0.849 -1.166 -5.604 119 H GLU 17 H GLU 17 -2.468 -5.688 -4.411 120 HA GLU 17 HA GLU 17 -5.105 -5.938 -5.644 121 1HB GLU 17 1HB GLU 17 -3.349 -7.738 -5.719 122 2HB GLU 17 2HB GLU 17 -3.591 -7.977 -3.989 123 1HG GLU 17 1HG GLU 17 -6.000 -8.439 -4.419 124 2HG GLU 17 2HG GLU 17 -5.695 -8.288 -6.150 125 H ASN 18 H ASN 18 -4.066 -4.878 -2.642 126 HA ASN 18 HA ASN 18 -6.443 -5.961 -1.217 127 1HB ASN 18 1HB ASN 18 -4.627 -4.134 0.236 128 2HB ASN 18 2HB ASN 18 -5.281 -5.697 0.726 129 1HD2 ASN 18 2HD2 ASN 18 -4.290 -7.604 -0.746 130 2HD2 ASN 18 1HD2 ASN 18 -2.609 -7.526 -0.960 131 H TYR 19 H TYR 19 -5.474 -3.231 -2.964 132 HA TYR 19 HA TYR 19 -7.237 -1.380 -1.467 133 1HB TYR 19 1HB TYR 19 -5.753 -0.765 -4.023 134 2HB TYR 19 2HB TYR 19 -6.280 0.355 -2.765 135 HD1 TYR 19 HD1 TYR 19 -5.447 -1.489 -0.418 136 HD2 TYR 19 HD2 TYR 19 -3.405 -0.143 -3.947 137 HE1 TYR 19 HE1 TYR 19 -3.271 -1.757 0.740 138 HE2 TYR 19 HE2 TYR 19 -1.227 -0.411 -2.791 139 HH TYR 19 HH TYR 19 -0.989 -0.898 0.581 140 H CYS 20 H CYS 20 -7.923 -3.788 -3.435 141 HA CYS 20 HA CYS 20 -9.557 -2.367 -5.428 142 1HB CYS 20 1HB CYS 20 -8.582 -4.402 -6.208 143 2HB CYS 20 2HB CYS 20 -9.113 -5.291 -4.782 144 H ASN 21 H ASN 21 -11.815 -2.221 -5.371 145 HA ASN 21 HA ASN 21 -13.082 -2.111 -2.819 146 1HB ASN 21 1HB ASN 21 -14.125 -2.158 -5.649 147 2HB ASN 21 2HB ASN 21 -15.231 -2.140 -4.275 148 1HD2 ASN 21 2HD2 ASN 21 -14.044 -0.055 -6.427 149 2HD2 ASN 21 1HD2 ASN 21 -13.842 1.333 -5.470 150 1H GLU 1 1H GLU 1 13.118 -7.529 -18.218 151 2H GLU 1 2H GLU 1 12.048 -8.849 -18.249 152 3H GLU 1 3H GLU 1 11.440 -7.266 -18.258 153 HA GLU 1 HA GLU 1 11.136 -7.792 -16.069 154 1HB GLU 1 1HB GLU 1 13.557 -9.512 -16.527 155 2HB GLU 1 2HB GLU 1 13.112 -9.060 -14.881 156 1HG GLU 1 1HG GLU 1 11.092 -10.215 -14.962 157 2HG GLU 1 2HG GLU 1 10.998 -10.128 -16.722 158 H VAL 2 H VAL 2 11.391 -5.884 -15.022 159 HA VAL 2 HA VAL 2 14.163 -4.804 -14.740 160 HB VAL 2 HB VAL 2 11.871 -2.894 -14.916 161 1HG1 VAL 2 1HG1 VAL 2 14.578 -2.643 -14.631 162 2HG1 VAL 2 2HG1 VAL 2 14.406 -2.479 -16.378 163 3HG1 VAL 2 3HG1 VAL 2 13.536 -1.387 -15.300 164 1HG2 VAL 2 1HG2 VAL 2 12.878 -4.612 -17.147 165 2HG2 VAL 2 2HG2 VAL 2 11.268 -3.942 -16.888 166 3HG2 VAL 2 3HG2 VAL 2 12.563 -2.912 -17.499 167 H ASN 3 H ASN 3 13.104 -2.501 -13.232 168 HA ASN 3 HA ASN 3 11.531 -3.408 -11.005 169 1HB ASN 3 1HB ASN 3 13.651 -3.147 -9.411 170 2HB ASN 3 2HB ASN 3 13.237 -4.704 -10.127 171 1HD2 ASN 3 2HD2 ASN 3 14.596 -2.012 -12.013 172 2HD2 ASN 3 1HD2 ASN 3 16.083 -2.764 -12.332 173 H GLN 4 H GLN 4 10.715 -1.273 -11.750 174 HA GLN 4 HA GLN 4 12.336 0.972 -10.612 175 1HB GLN 4 1HB GLN 4 10.553 0.830 -13.038 176 2HB GLN 4 2HB GLN 4 10.872 2.371 -12.242 177 1HG GLN 4 1HG GLN 4 13.311 0.818 -12.627 178 2HG GLN 4 2HG GLN 4 12.493 1.152 -14.153 179 1HE2 GLN 4 2HE2 GLN 4 12.626 3.172 -11.177 180 2HE2 GLN 4 1HE2 GLN 4 13.337 4.511 -11.938 181 H HIS 5 H HIS 5 11.237 2.454 -9.289 182 HA HIS 5 HA HIS 5 9.009 1.481 -7.815 183 1HB HIS 5 1HB HIS 5 9.672 4.408 -7.980 184 2HB HIS 5 2HB HIS 5 9.137 3.468 -6.583 185 HD1 HIS 5 HD1 HIS 5 12.156 4.397 -8.533 186 HD2 HIS 5 HD2 HIS 5 11.192 1.772 -5.454 187 HE1 HIS 5 HE1 HIS 5 14.336 3.539 -7.609 188 H LEU 6 H LEU 6 6.980 1.244 -8.697 189 HA LEU 6 HA LEU 6 6.071 2.721 -10.998 190 1HB LEU 6 1HB LEU 6 4.878 0.792 -9.068 191 2HB LEU 6 2HB LEU 6 3.754 1.839 -9.935 192 HG LEU 6 HG LEU 6 4.867 1.153 -12.079 193 1HD1 LEU 6 1HD1 LEU 6 6.285 -0.749 -10.193 194 2HD1 LEU 6 2HD1 LEU 6 6.243 -0.958 -11.943 195 3HD1 LEU 6 3HD1 LEU 6 7.027 0.459 -11.242 196 1HD2 LEU 6 1HD2 LEU 6 3.730 -1.087 -10.371 197 2HD2 LEU 6 2HD2 LEU 6 2.786 0.064 -11.317 198 3HD2 LEU 6 3HD2 LEU 6 3.831 -1.099 -12.132 199 H CYS 7 H CYS 7 6.309 4.964 -10.480 200 HA CYS 7 HA CYS 7 4.365 5.938 -8.425 201 1HB CYS 7 1HB CYS 7 6.843 6.310 -7.928 202 2HB CYS 7 2HB CYS 7 6.860 7.406 -9.307 203 H GLY 8 H GLY 8 2.853 7.393 -9.143 204 1HA GLY 8 1HA GLY 8 2.296 9.326 -10.598 205 2HA GLY 8 2HA GLY 8 3.262 8.564 -11.863 206 H SER 9 H SER 9 2.033 7.639 -13.411 207 HA SER 9 HA SER 9 -0.716 6.743 -12.700 208 1HB SER 9 1HB SER 9 0.616 7.316 -15.361 209 2HB SER 9 2HB SER 9 -1.006 6.646 -15.209 210 HG SER 9 HG SER 9 -1.536 8.511 -13.960 211 H GLU 10 H GLU 10 2.417 5.530 -13.505 212 HA GLU 10 HA GLU 10 1.715 3.049 -14.716 213 1HB GLU 10 1HB GLU 10 3.905 2.236 -13.763 214 2HB GLU 10 2HB GLU 10 4.033 3.741 -14.673 215 1HG GLU 10 1HG GLU 10 3.538 4.758 -12.224 216 2HG GLU 10 2HG GLU 10 4.345 3.260 -11.757 217 H LEU 11 H LEU 11 1.325 4.195 -11.482 218 HA LEU 11 HA LEU 11 1.151 1.539 -10.273 219 1HB LEU 11 1HB LEU 11 1.806 3.693 -9.058 220 2HB LEU 11 2HB LEU 11 0.099 4.132 -9.120 221 HG LEU 11 HG LEU 11 0.784 2.981 -6.985 222 1HD1 LEU 11 1HD1 LEU 11 -1.533 2.814 -8.346 223 2HD1 LEU 11 2HD1 LEU 11 -1.099 1.104 -8.322 224 3HD1 LEU 11 3HD1 LEU 11 -1.278 1.990 -6.807 225 1HD2 LEU 11 1HD2 LEU 11 2.396 1.421 -8.181 226 2HD2 LEU 11 2HD2 LEU 11 1.325 0.639 -7.018 227 3HD2 LEU 11 3HD2 LEU 11 0.986 0.521 -8.743 228 H VAL 12 H VAL 12 -1.191 4.115 -11.091 229 HA VAL 12 HA VAL 12 -3.525 2.679 -10.336 230 HB VAL 12 HB VAL 12 -3.183 5.179 -11.100 231 1HG1 VAL 12 1HG1 VAL 12 -3.934 3.797 -13.692 232 2HG1 VAL 12 2HG1 VAL 12 -4.006 5.539 -13.421 233 3HG1 VAL 12 3HG1 VAL 12 -2.453 4.703 -13.381 234 1HG2 VAL 12 1HG2 VAL 12 -5.301 3.996 -10.301 235 2HG2 VAL 12 2HG2 VAL 12 -5.550 5.384 -11.363 236 3HG2 VAL 12 3HG2 VAL 12 -5.687 3.746 -12.004 237 H GLU 13 H GLU 13 -1.756 2.765 -13.421 238 HA GLU 13 HA GLU 13 -3.557 1.207 -14.958 239 1HB GLU 13 1HB GLU 13 -0.689 1.923 -15.092 240 2HB GLU 13 2HB GLU 13 -1.124 0.431 -15.929 241 1HG GLU 13 1HG GLU 13 -3.162 2.245 -16.583 242 2HG GLU 13 2HG GLU 13 -1.669 3.179 -16.688 243 H ALA 14 H ALA 14 -1.216 0.285 -12.512 244 HA ALA 14 HA ALA 14 -1.594 -2.588 -13.123 245 1HB ALA 14 1HB ALA 14 0.378 -0.983 -11.677 246 2HB ALA 14 2HB ALA 14 -0.139 -2.398 -10.757 247 3HB ALA 14 3HB ALA 14 0.540 -2.596 -12.372 248 H LEU 15 H LEU 15 -2.890 -0.140 -11.098 249 HA LEU 15 HA LEU 15 -3.768 -1.853 -8.931 250 1HB LEU 15 1HB LEU 15 -3.998 0.953 -9.694 251 2HB LEU 15 2HB LEU 15 -5.506 0.330 -9.036 252 HG LEU 15 HG LEU 15 -2.793 0.095 -7.710 253 1HD1 LEU 15 1HD1 LEU 15 -4.318 2.345 -7.876 254 2HD1 LEU 15 2HD1 LEU 15 -5.007 1.592 -6.438 255 3HD1 LEU 15 3HD1 LEU 15 -3.285 1.964 -6.498 256 1HD2 LEU 15 1HD2 LEU 15 -5.585 -0.718 -6.842 257 2HD2 LEU 15 2HD2 LEU 15 -4.214 -1.790 -7.126 258 3HD2 LEU 15 3HD2 LEU 15 -4.191 -0.674 -5.761 259 H GLU 16 H GLU 16 -5.458 -0.400 -11.738 260 HA GLU 16 HA GLU 16 -7.955 -1.699 -11.310 261 1HB GLU 16 1HB GLU 16 -6.624 -0.202 -13.454 262 2HB GLU 16 2HB GLU 16 -7.779 -1.396 -14.046 263 1HG GLU 16 1HG GLU 16 -9.274 -0.363 -12.095 264 2HG GLU 16 2HG GLU 16 -8.235 1.034 -12.383 265 H LEU 17 H LEU 17 -4.965 -3.074 -12.181 266 HA LEU 17 HA LEU 17 -6.199 -5.244 -13.770 267 1HB LEU 17 1HB LEU 17 -3.391 -4.409 -13.120 268 2HB LEU 17 2HB LEU 17 -3.698 -6.066 -13.639 269 HG LEU 17 HG LEU 17 -4.679 -3.643 -15.167 270 1HD1 LEU 17 1HD1 LEU 17 -2.020 -4.465 -14.878 271 2HD1 LEU 17 2HD1 LEU 17 -2.535 -5.172 -16.410 272 3HD1 LEU 17 3HD1 LEU 17 -2.661 -3.431 -16.154 273 1HD2 LEU 17 1HD2 LEU 17 -4.472 -6.609 -15.756 274 2HD2 LEU 17 2HD2 LEU 17 -5.939 -5.633 -15.676 275 3HD2 LEU 17 3HD2 LEU 17 -4.795 -5.399 -17.000 276 H VAL 18 H VAL 18 -5.183 -4.580 -10.526 277 HA VAL 18 HA VAL 18 -5.261 -7.477 -9.866 278 HB VAL 18 HB VAL 18 -4.747 -6.007 -7.520 279 1HG1 VAL 18 1HG1 VAL 18 -2.999 -7.521 -9.464 280 2HG1 VAL 18 2HG1 VAL 18 -2.426 -6.965 -7.892 281 3HG1 VAL 18 3HG1 VAL 18 -3.744 -8.135 -7.988 282 1HG2 VAL 18 1HG2 VAL 18 -4.291 -4.035 -8.987 283 2HG2 VAL 18 2HG2 VAL 18 -2.851 -4.590 -8.134 284 3HG2 VAL 18 3HG2 VAL 18 -3.073 -4.989 -9.835 285 H CYS 19 H CYS 19 -7.347 -4.878 -10.006 286 HA CYS 19 HA CYS 19 -8.880 -5.604 -7.595 287 1HB CYS 19 1HB CYS 19 -8.694 -3.227 -8.333 288 2HB CYS 19 2HB CYS 19 -9.556 -3.644 -9.811 289 H GLY 20 H GLY 20 -10.114 -5.056 -10.899 290 1HA GLY 20 1HA GLY 20 -10.815 -7.311 -12.031 291 2HA GLY 20 2HA GLY 20 -11.758 -7.525 -10.556 292 H GLU 21 H GLU 21 -11.258 -5.143 -13.173 293 HA GLU 21 HA GLU 21 -12.754 -3.510 -13.997 294 1HB GLU 21 1HB GLU 21 -15.078 -4.827 -14.450 295 2HB GLU 21 2HB GLU 21 -13.651 -5.010 -15.468 296 1HG GLU 21 1HG GLU 21 -12.947 -6.955 -14.075 297 2HG GLU 21 2HG GLU 21 -14.443 -6.801 -13.152 298 H ARG 22 H ARG 22 -12.738 -3.811 -11.019 299 HA ARG 22 HA ARG 22 -15.557 -3.005 -10.445 300 1HB ARG 22 1HB ARG 22 -13.352 -4.113 -8.693 301 2HB ARG 22 2HB ARG 22 -14.791 -3.349 -8.016 302 1HG ARG 22 1HG ARG 22 -15.146 -5.472 -10.097 303 2HG ARG 22 2HG ARG 22 -14.736 -5.963 -8.453 304 1HD ARG 22 1HD ARG 22 -16.892 -3.931 -8.747 305 2HD ARG 22 2HD ARG 22 -17.280 -5.578 -9.243 306 HE ARG 22 HE ARG 22 -16.101 -5.900 -6.758 307 1HH1 ARG 22 1HH1 ARG 22 -18.674 -4.009 -8.073 308 2HH1 ARG 22 2HH1 ARG 22 -19.590 -3.999 -6.604 309 1HH2 ARG 22 1HH2 ARG 22 -17.288 -5.895 -4.838 310 2HH2 ARG 22 2HH2 ARG 22 -18.808 -5.066 -4.775 311 H GLY 23 H GLY 23 -12.174 -2.175 -9.648 312 1HA GLY 23 1HA GLY 23 -11.560 0.232 -10.064 313 2HA GLY 23 2HA GLY 23 -13.085 0.652 -9.280 314 H PHE 24 H PHE 24 -10.957 1.813 -8.153 315 HA PHE 24 HA PHE 24 -10.800 0.490 -5.526 316 1HB PHE 24 1HB PHE 24 -8.250 0.749 -5.558 317 2HB PHE 24 2HB PHE 24 -8.905 -0.569 -6.530 318 HD1 PHE 24 HD1 PHE 24 -7.852 3.016 -6.743 319 HD2 PHE 24 HD2 PHE 24 -8.463 -0.686 -8.836 320 HE1 PHE 24 HE1 PHE 24 -6.833 3.998 -8.783 321 HE2 PHE 24 HE2 PHE 24 -7.437 0.300 -10.869 322 HZ PHE 24 HZ PHE 24 -6.632 2.636 -10.843 323 H PHE 25 H PHE 25 -8.830 2.054 -4.380 324 HA PHE 25 HA PHE 25 -9.716 4.855 -4.932 325 1HB PHE 25 1HB PHE 25 -10.013 3.276 -2.503 326 2HB PHE 25 2HB PHE 25 -9.067 4.734 -2.207 327 HD1 PHE 25 HD1 PHE 25 -12.266 3.493 -3.666 328 HD2 PHE 25 HD2 PHE 25 -10.095 6.870 -2.140 329 HE1 PHE 25 HE1 PHE 25 -14.340 4.851 -3.720 330 HE2 PHE 25 HE2 PHE 25 -12.170 8.228 -2.193 331 HZ PHE 25 HZ PHE 25 -14.292 7.219 -2.984 332 H TYR 26 H TYR 26 -7.834 5.579 -5.917 333 HA TYR 26 HA TYR 26 -5.194 4.775 -5.042 334 1HB TYR 26 1HB TYR 26 -5.964 5.713 -7.354 335 2HB TYR 26 2HB TYR 26 -5.731 7.291 -6.599 336 HD1 TYR 26 HD1 TYR 26 -3.460 7.434 -5.149 337 HD2 TYR 26 HD2 TYR 26 -4.134 4.815 -8.484 338 HE1 TYR 26 HE1 TYR 26 -1.012 7.257 -5.504 339 HE2 TYR 26 HE2 TYR 26 -1.685 4.637 -8.841 340 HH TYR 26 HH TYR 26 0.448 6.588 -7.925 341 H GLU 27 H GLU 27 -6.729 8.021 -4.948 342 HA GLU 27 HA GLU 27 -5.815 8.400 -2.188 343 1HB GLU 27 1HB GLU 27 -4.429 10.389 -2.728 344 2HB GLU 27 2HB GLU 27 -3.757 8.913 -3.420 345 1HG GLU 27 1HG GLU 27 -5.238 9.586 -5.503 346 2HG GLU 27 2HG GLU 27 -5.123 11.198 -4.797 347 HA PRO 28 HA PRO 28 -9.763 10.508 -3.016 348 1HB PRO 28 1HB PRO 28 -10.102 10.637 -0.168 349 2HB PRO 28 2HB PRO 28 -10.962 9.605 -1.319 350 1HG PRO 28 1HG PRO 28 -8.944 8.828 0.589 351 2HG PRO 28 2HG PRO 28 -9.834 7.795 -0.537 352 1HD PRO 28 1HD PRO 28 -7.078 8.576 -0.686 353 2HD PRO 28 2HD PRO 28 -7.988 7.588 -1.842 354 H LYS 29 H LYS 29 -7.089 11.317 -0.882 355 HA LYS 29 HA LYS 29 -8.013 14.117 -0.635 356 1HB LYS 29 1HB LYS 29 -5.972 14.385 0.773 357 2HB LYS 29 2HB LYS 29 -7.019 13.087 1.348 358 1HG LYS 29 1HG LYS 29 -5.290 11.910 -0.551 359 2HG LYS 29 2HG LYS 29 -4.275 12.935 0.464 360 1HD LYS 29 1HD LYS 29 -4.778 11.752 2.400 361 2HD LYS 29 2HD LYS 29 -6.326 11.184 1.773 362 1HE LYS 29 1HE LYS 29 -4.317 9.505 1.935 363 2HE LYS 29 2HE LYS 29 -5.338 9.492 0.496 364 1HZ LYS 29 1HZ LYS 29 -2.995 11.259 0.574 365 2HZ LYS 29 2HZ LYS 29 -2.763 9.604 0.278 366 3HZ LYS 29 3HZ LYS 29 -3.747 10.522 -0.759 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -1.090 0.024 3.164 2 2H GLY 1 2H GLY 1 0.131 -0.380 4.275 3 3H GLY 1 3H GLY 1 -0.097 1.238 3.807 4 1HA GLY 1 1HA GLY 1 1.734 0.619 2.563 5 2HA GLY 1 2HA GLY 1 1.073 -0.989 2.270 6 H ILE 2 H ILE 2 1.868 1.478 0.516 7 HA ILE 2 HA ILE 2 0.164 0.942 -1.665 8 HB ILE 2 HB ILE 2 -1.012 2.710 0.327 9 1HG1 ILE 2 1HG1 ILE 2 -2.033 0.753 -0.929 10 2HG1 ILE 2 2HG1 ILE 2 -3.019 2.213 -0.889 11 1HG2 ILE 2 1HG2 ILE 2 -0.613 3.828 -2.462 12 2HG2 ILE 2 2HG2 ILE 2 -1.870 4.394 -1.363 13 3HG2 ILE 2 3HG2 ILE 2 -0.170 4.586 -0.933 14 1HD1 ILE 2 1HD1 ILE 2 -2.064 2.841 -3.126 15 2HD1 ILE 2 2HD1 ILE 2 -1.265 1.268 -3.171 16 3HD1 ILE 2 3HD1 ILE 2 -3.026 1.362 -3.157 17 H VAL 3 H VAL 3 1.476 3.934 -0.175 18 HA VAL 3 HA VAL 3 2.775 4.594 -2.743 19 HB VAL 3 HB VAL 3 2.573 6.071 -0.105 20 1HG1 VAL 3 1HG1 VAL 3 4.728 6.507 -1.328 21 2HG1 VAL 3 2HG1 VAL 3 3.776 7.042 -2.713 22 3HG1 VAL 3 3HG1 VAL 3 3.693 7.929 -1.191 23 1HG2 VAL 3 1HG2 VAL 3 1.098 6.062 -2.687 24 2HG2 VAL 3 2HG2 VAL 3 0.522 6.448 -1.065 25 3HG2 VAL 3 3HG2 VAL 3 1.428 7.647 -1.988 26 H GLU 4 H GLU 4 3.792 4.131 0.664 27 HA GLU 4 HA GLU 4 6.602 4.204 0.025 28 1HB GLU 4 1HB GLU 4 5.112 3.047 2.394 29 2HB GLU 4 2HB GLU 4 6.868 3.173 2.302 30 1HG GLU 4 1HG GLU 4 6.762 5.317 2.970 31 2HG GLU 4 2HG GLU 4 5.750 5.707 1.579 32 H GLN 5 H GLN 5 4.187 1.836 -0.439 33 HA GLN 5 HA GLN 5 6.105 -0.415 -0.418 34 1HB GLN 5 1HB GLN 5 3.795 -0.739 0.452 35 2HB GLN 5 2HB GLN 5 3.161 -0.363 -1.150 36 1HG GLN 5 1HG GLN 5 3.251 -2.686 -1.252 37 2HG GLN 5 2HG GLN 5 4.828 -2.263 -1.918 38 1HE2 GLN 5 2HE2 GLN 5 6.094 -4.005 -1.131 39 2HE2 GLN 5 1HE2 GLN 5 6.281 -4.358 0.518 40 H CYS 6 H CYS 6 4.518 1.754 -2.654 41 HA CYS 6 HA CYS 6 5.781 0.243 -4.909 42 1HB CYS 6 1HB CYS 6 3.146 1.638 -4.659 43 2HB CYS 6 2HB CYS 6 3.961 1.676 -6.224 44 H CYS 7 H CYS 7 4.655 3.544 -4.074 45 HA CYS 7 HA CYS 7 6.318 4.885 -5.943 46 1HB CYS 7 1HB CYS 7 4.797 5.644 -3.521 47 2HB CYS 7 2HB CYS 7 6.105 6.729 -3.987 48 H HIS 8 H HIS 8 7.046 3.546 -2.783 49 HA HIS 8 HA HIS 8 9.735 4.836 -2.897 50 1HB HIS 8 1HB HIS 8 8.302 3.452 -0.609 51 2HB HIS 8 2HB HIS 8 9.917 4.156 -0.511 52 HD1 HIS 8 HD1 HIS 8 8.238 5.524 1.387 53 HD2 HIS 8 HD2 HIS 8 8.042 6.569 -2.644 54 HE1 HIS 8 HE1 HIS 8 7.228 7.844 1.297 55 H SER 9 H SER 9 9.078 2.581 -4.615 56 HA SER 9 HA SER 9 11.349 1.012 -4.459 57 1HB SER 9 1HB SER 9 10.240 -1.126 -3.403 58 2HB SER 9 2HB SER 9 10.945 0.098 -2.351 59 HG SER 9 HG SER 9 8.223 -0.290 -3.042 60 H ILE 10 H ILE 10 10.979 -1.255 -5.548 61 HA ILE 10 HA ILE 10 9.065 -0.791 -7.763 62 HB ILE 10 HB ILE 10 11.285 -2.824 -7.389 63 1HG1 ILE 10 1HG1 ILE 10 11.519 -1.064 -9.661 64 2HG1 ILE 10 2HG1 ILE 10 11.275 -0.106 -8.200 65 1HG2 ILE 10 1HG2 ILE 10 8.999 -2.951 -9.063 66 2HG2 ILE 10 2HG2 ILE 10 10.359 -2.521 -10.101 67 3HG2 ILE 10 3HG2 ILE 10 10.427 -3.984 -9.118 68 1HD1 ILE 10 1HD1 ILE 10 13.097 -2.224 -7.582 69 2HD1 ILE 10 2HD1 ILE 10 13.656 -1.428 -9.053 70 3HD1 ILE 10 3HD1 ILE 10 13.403 -0.487 -7.583 71 H CYS 11 H CYS 11 7.112 -1.773 -7.728 72 HA CYS 11 HA CYS 11 6.838 -4.288 -6.128 73 1HB CYS 11 1HB CYS 11 4.391 -3.520 -5.906 74 2HB CYS 11 2HB CYS 11 5.591 -2.633 -4.965 75 H SER 12 H SER 12 4.323 -5.060 -6.967 76 HA SER 12 HA SER 12 4.516 -5.176 -9.943 77 1HB SER 12 1HB SER 12 3.608 -7.674 -9.362 78 2HB SER 12 2HB SER 12 5.304 -7.296 -9.647 79 HG SER 12 HG SER 12 5.696 -7.399 -7.541 80 H LEU 13 H LEU 13 2.333 -7.076 -7.936 81 HA LEU 13 HA LEU 13 0.139 -5.140 -8.316 82 1HB LEU 13 1HB LEU 13 0.454 -7.630 -9.906 83 2HB LEU 13 2HB LEU 13 -1.155 -7.329 -9.247 84 HG LEU 13 HG LEU 13 0.066 -4.927 -10.395 85 1HD1 LEU 13 1HD1 LEU 13 0.813 -7.074 -11.812 86 2HD1 LEU 13 2HD1 LEU 13 -0.817 -6.892 -12.462 87 3HD1 LEU 13 3HD1 LEU 13 0.339 -5.565 -12.594 88 1HD2 LEU 13 1HD2 LEU 13 -2.523 -6.454 -10.816 89 2HD2 LEU 13 2HD2 LEU 13 -2.288 -5.040 -9.790 90 3HD2 LEU 13 3HD2 LEU 13 -2.171 -4.885 -11.542 91 H TYR 14 H TYR 14 1.172 -8.349 -7.192 92 HA TYR 14 HA TYR 14 -0.991 -9.095 -5.608 93 1HB TYR 14 1HB TYR 14 1.700 -9.863 -5.823 94 2HB TYR 14 2HB TYR 14 1.481 -9.447 -4.123 95 HD1 TYR 14 HD1 TYR 14 -0.898 -10.292 -3.136 96 HD2 TYR 14 HD2 TYR 14 1.222 -12.057 -6.429 97 HE1 TYR 14 HE1 TYR 14 -2.103 -12.428 -2.767 98 HE2 TYR 14 HE2 TYR 14 0.017 -14.193 -6.061 99 HH TYR 14 HH TYR 14 -2.713 -14.501 -4.414 100 H GLN 15 H GLN 15 1.314 -6.506 -5.048 101 HA GLN 15 HA GLN 15 0.548 -6.065 -2.278 102 1HB GLN 15 1HB GLN 15 1.664 -3.841 -3.933 103 2HB GLN 15 2HB GLN 15 2.084 -4.340 -2.295 104 1HG GLN 15 1HG GLN 15 2.983 -6.503 -3.457 105 2HG GLN 15 2HG GLN 15 2.990 -5.509 -4.914 106 1HE2 GLN 15 2HE2 GLN 15 5.162 -6.554 -2.811 107 2HE2 GLN 15 1HE2 GLN 15 6.136 -5.180 -2.609 108 H LEU 16 H LEU 16 -0.362 -4.623 -5.398 109 HA LEU 16 HA LEU 16 -2.165 -2.687 -4.197 110 1HB LEU 16 1HB LEU 16 -2.336 -3.665 -7.045 111 2HB LEU 16 2HB LEU 16 -2.700 -2.060 -6.410 112 HG LEU 16 HG LEU 16 0.031 -3.343 -6.698 113 1HD1 LEU 16 1HD1 LEU 16 -1.095 -2.232 -8.689 114 2HD1 LEU 16 2HD1 LEU 16 -1.026 -0.722 -7.782 115 3HD1 LEU 16 3HD1 LEU 16 0.466 -1.550 -8.232 116 1HD2 LEU 16 1HD2 LEU 16 -0.891 -0.909 -5.171 117 2HD2 LEU 16 2HD2 LEU 16 0.186 -2.199 -4.636 118 3HD2 LEU 16 3HD2 LEU 16 0.749 -1.010 -5.811 119 H GLU 17 H GLU 17 -2.354 -6.021 -4.644 120 HA GLU 17 HA GLU 17 -5.128 -6.301 -5.362 121 1HB GLU 17 1HB GLU 17 -3.024 -8.033 -5.050 122 2HB GLU 17 2HB GLU 17 -3.994 -8.389 -3.620 123 1HG GLU 17 1HG GLU 17 -5.997 -8.640 -5.087 124 2HG GLU 17 2HG GLU 17 -4.960 -8.401 -6.494 125 H ASN 18 H ASN 18 -3.518 -5.467 -2.411 126 HA ASN 18 HA ASN 18 -5.810 -6.197 -0.715 127 1HB ASN 18 1HB ASN 18 -3.776 -4.355 0.386 128 2HB ASN 18 2HB ASN 18 -4.410 -5.857 1.055 129 1HD2 ASN 18 2HD2 ASN 18 -1.520 -4.796 0.504 130 2HD2 ASN 18 1HD2 ASN 18 -0.778 -6.095 -0.296 131 H TYR 19 H TYR 19 -4.964 -3.612 -2.734 132 HA TYR 19 HA TYR 19 -6.602 -1.669 -1.186 133 1HB TYR 19 1HB TYR 19 -5.143 -1.076 -3.754 134 2HB TYR 19 2HB TYR 19 -5.568 0.032 -2.449 135 HD1 TYR 19 HD1 TYR 19 -4.729 -1.942 -0.196 136 HD2 TYR 19 HD2 TYR 19 -2.765 -0.535 -3.747 137 HE1 TYR 19 HE1 TYR 19 -2.523 -2.350 0.862 138 HE2 TYR 19 HE2 TYR 19 -0.561 -0.943 -2.692 139 HH TYR 19 HH TYR 19 0.501 -1.493 -0.809 140 H CYS 20 H CYS 20 -8.195 -3.636 -2.151 141 HA CYS 20 HA CYS 20 -9.362 -2.504 -4.663 142 1HB CYS 20 1HB CYS 20 -8.690 -4.783 -5.038 143 2HB CYS 20 2HB CYS 20 -9.427 -5.310 -3.525 144 H ASN 21 H ASN 21 -10.945 -1.116 -3.978 145 HA ASN 21 HA ASN 21 -12.447 -1.380 -1.564 146 1HB ASN 21 1HB ASN 21 -12.400 0.775 -2.583 147 2HB ASN 21 2HB ASN 21 -12.932 0.134 -4.138 148 1HD2 ASN 21 2HD2 ASN 21 -15.051 0.717 -4.526 149 2HD2 ASN 21 1HD2 ASN 21 -16.283 0.787 -3.360 150 1H GLU 1 1H GLU 1 17.121 -1.054 -10.101 151 2H GLU 1 2H GLU 1 18.520 -0.138 -9.820 152 3H GLU 1 3H GLU 1 17.591 0.140 -11.215 153 HA GLU 1 HA GLU 1 19.040 -1.187 -12.246 154 1HB GLU 1 1HB GLU 1 19.690 -2.269 -9.488 155 2HB GLU 1 2HB GLU 1 20.526 -2.742 -10.967 156 1HG GLU 1 1HG GLU 1 20.915 -0.201 -11.311 157 2HG GLU 1 2HG GLU 1 20.501 -0.055 -9.603 158 H VAL 2 H VAL 2 16.268 -1.792 -11.889 159 HA VAL 2 HA VAL 2 16.340 -4.650 -12.548 160 HB VAL 2 HB VAL 2 14.792 -3.622 -10.150 161 1HG1 VAL 2 1HG1 VAL 2 14.522 -6.047 -11.864 162 2HG1 VAL 2 2HG1 VAL 2 14.375 -6.275 -10.122 163 3HG1 VAL 2 3HG1 VAL 2 13.290 -5.166 -10.960 164 1HG2 VAL 2 1HG2 VAL 2 17.122 -5.513 -10.526 165 2HG2 VAL 2 2HG2 VAL 2 17.028 -4.091 -9.486 166 3HG2 VAL 2 3HG2 VAL 2 16.122 -5.548 -9.073 167 H ASN 3 H ASN 3 13.931 -2.190 -11.535 168 HA ASN 3 HA ASN 3 12.781 -2.267 -14.260 169 1HB ASN 3 1HB ASN 3 11.315 -3.101 -11.749 170 2HB ASN 3 2HB ASN 3 10.462 -2.537 -13.186 171 1HD2 ASN 3 2HD2 ASN 3 11.293 -3.722 -15.312 172 2HD2 ASN 3 1HD2 ASN 3 11.524 -5.398 -15.167 173 H GLN 4 H GLN 4 11.002 -1.141 -11.459 174 HA GLN 4 HA GLN 4 11.998 1.519 -11.321 175 1HB GLN 4 1HB GLN 4 11.125 1.481 -13.718 176 2HB GLN 4 2HB GLN 4 9.508 1.331 -13.030 177 1HG GLN 4 1HG GLN 4 10.103 3.698 -13.515 178 2HG GLN 4 2HG GLN 4 9.802 3.425 -11.799 179 1HE2 GLN 4 2HE2 GLN 4 11.310 4.585 -10.599 180 2HE2 GLN 4 1HE2 GLN 4 12.957 4.729 -10.980 181 H HIS 5 H HIS 5 10.901 2.674 -9.705 182 HA HIS 5 HA HIS 5 9.094 1.128 -8.033 183 1HB HIS 5 1HB HIS 5 9.408 4.078 -7.654 184 2HB HIS 5 2HB HIS 5 9.399 2.790 -6.451 185 HD1 HIS 5 HD1 HIS 5 11.627 1.339 -6.268 186 HD2 HIS 5 HD2 HIS 5 11.951 4.779 -8.597 187 HE1 HIS 5 HE1 HIS 5 14.105 1.775 -6.562 188 H LEU 6 H LEU 6 7.086 0.789 -8.976 189 HA LEU 6 HA LEU 6 5.677 2.412 -10.738 190 1HB LEU 6 1HB LEU 6 4.764 0.542 -8.569 191 2HB LEU 6 2HB LEU 6 3.577 1.483 -9.474 192 HG LEU 6 HG LEU 6 4.561 0.595 -11.595 193 1HD1 LEU 6 1HD1 LEU 6 6.290 -0.846 -9.595 194 2HD1 LEU 6 2HD1 LEU 6 5.952 -1.577 -11.164 195 3HD1 LEU 6 3HD1 LEU 6 6.767 -0.016 -11.076 196 1HD2 LEU 6 1HD2 LEU 6 3.329 -1.148 -9.491 197 2HD2 LEU 6 2HD2 LEU 6 2.651 -0.602 -11.026 198 3HD2 LEU 6 3HD2 LEU 6 3.851 -1.895 -10.999 199 H CYS 7 H CYS 7 5.929 4.641 -10.267 200 HA CYS 7 HA CYS 7 4.279 5.588 -7.970 201 1HB CYS 7 1HB CYS 7 6.818 5.691 -7.551 202 2HB CYS 7 2HB CYS 7 6.849 6.949 -8.786 203 H GLY 8 H GLY 8 3.433 7.781 -8.303 204 1HA GLY 8 1HA GLY 8 2.896 9.675 -9.677 205 2HA GLY 8 2HA GLY 8 3.668 8.871 -11.045 206 H SER 9 H SER 9 2.456 7.348 -12.260 207 HA SER 9 HA SER 9 -0.444 7.181 -11.547 208 1HB SER 9 1HB SER 9 0.876 7.994 -14.099 209 2HB SER 9 2HB SER 9 -0.599 7.037 -14.212 210 HG SER 9 HG SER 9 -0.530 9.188 -12.425 211 H GLU 10 H GLU 10 2.361 5.654 -13.053 212 HA GLU 10 HA GLU 10 1.352 3.329 -14.138 213 1HB GLU 10 1HB GLU 10 3.411 2.175 -13.107 214 2HB GLU 10 2HB GLU 10 3.710 3.569 -14.143 215 1HG GLU 10 1HG GLU 10 3.414 4.808 -11.740 216 2HG GLU 10 2HG GLU 10 4.105 3.269 -11.224 217 H LEU 11 H LEU 11 1.411 4.194 -10.728 218 HA LEU 11 HA LEU 11 0.794 1.548 -9.749 219 1HB LEU 11 1HB LEU 11 1.721 3.380 -8.319 220 2HB LEU 11 2HB LEU 11 0.169 4.211 -8.443 221 HG LEU 11 HG LEU 11 -0.885 2.038 -7.584 222 1HD1 LEU 11 1HD1 LEU 11 2.005 1.410 -7.480 223 2HD1 LEU 11 2HD1 LEU 11 1.088 0.974 -6.037 224 3HD1 LEU 11 3HD1 LEU 11 0.619 0.327 -7.609 225 1HD2 LEU 11 1HD2 LEU 11 0.378 4.219 -6.229 226 2HD2 LEU 11 2HD2 LEU 11 -1.004 3.261 -5.697 227 3HD2 LEU 11 3HD2 LEU 11 0.632 2.761 -5.269 228 H VAL 12 H VAL 12 -1.243 4.425 -10.388 229 HA VAL 12 HA VAL 12 -3.711 3.216 -9.667 230 HB VAL 12 HB VAL 12 -3.134 5.701 -10.298 231 1HG1 VAL 12 1HG1 VAL 12 -2.539 4.951 -12.689 232 2HG1 VAL 12 2HG1 VAL 12 -4.276 4.791 -12.942 233 3HG1 VAL 12 3HG1 VAL 12 -3.584 6.361 -12.532 234 1HG2 VAL 12 1HG2 VAL 12 -5.324 4.860 -9.486 235 2HG2 VAL 12 2HG2 VAL 12 -5.516 6.118 -10.708 236 3HG2 VAL 12 3HG2 VAL 12 -5.753 4.425 -11.141 237 H GLU 13 H GLU 13 -1.920 3.183 -12.733 238 HA GLU 13 HA GLU 13 -3.953 1.860 -14.266 239 1HB GLU 13 1HB GLU 13 -1.590 2.959 -14.925 240 2HB GLU 13 2HB GLU 13 -1.085 1.271 -14.834 241 1HG GLU 13 1HG GLU 13 -1.815 1.247 -17.006 242 2HG GLU 13 2HG GLU 13 -3.375 0.968 -16.230 243 H ALA 14 H ALA 14 -1.606 0.755 -11.934 244 HA ALA 14 HA ALA 14 -2.172 -2.086 -12.595 245 1HB ALA 14 1HB ALA 14 0.167 -0.918 -11.886 246 2HB ALA 14 2HB ALA 14 -0.427 -1.387 -10.293 247 3HB ALA 14 3HB ALA 14 -0.202 -2.608 -11.544 248 H LEU 15 H LEU 15 -3.376 0.368 -10.643 249 HA LEU 15 HA LEU 15 -4.120 -1.374 -8.385 250 1HB LEU 15 1HB LEU 15 -4.135 1.515 -8.975 251 2HB LEU 15 2HB LEU 15 -5.536 0.961 -8.059 252 HG LEU 15 HG LEU 15 -2.741 0.137 -7.284 253 1HD1 LEU 15 1HD1 LEU 15 -4.242 2.656 -6.532 254 2HD1 LEU 15 2HD1 LEU 15 -2.887 2.025 -5.596 255 3HD1 LEU 15 3HD1 LEU 15 -2.644 2.541 -7.265 256 1HD2 LEU 15 1HD2 LEU 15 -5.476 0.171 -6.028 257 2HD2 LEU 15 2HD2 LEU 15 -4.314 -1.153 -6.118 258 3HD2 LEU 15 3HD2 LEU 15 -4.039 0.186 -5.004 259 H GLU 16 H GLU 16 -5.455 -0.199 -11.372 260 HA GLU 16 HA GLU 16 -8.210 -0.951 -10.607 261 1HB GLU 16 1HB GLU 16 -8.858 -0.052 -12.747 262 2HB GLU 16 2HB GLU 16 -7.677 1.063 -12.057 263 1HG GLU 16 1HG GLU 16 -5.945 -0.446 -13.357 264 2HG GLU 16 2HG GLU 16 -7.354 -0.866 -14.332 265 H LEU 17 H LEU 17 -5.489 -2.570 -11.643 266 HA LEU 17 HA LEU 17 -6.971 -4.475 -13.371 267 1HB LEU 17 1HB LEU 17 -4.063 -4.020 -12.734 268 2HB LEU 17 2HB LEU 17 -4.592 -5.547 -13.439 269 HG LEU 17 HG LEU 17 -5.397 -2.902 -14.646 270 1HD1 LEU 17 1HD1 LEU 17 -2.842 -3.229 -14.409 271 2HD1 LEU 17 2HD1 LEU 17 -3.036 -4.537 -15.577 272 3HD1 LEU 17 3HD1 LEU 17 -3.471 -2.887 -16.021 273 1HD2 LEU 17 1HD2 LEU 17 -6.405 -5.284 -15.164 274 2HD2 LEU 17 2HD2 LEU 17 -6.029 -4.185 -16.492 275 3HD2 LEU 17 3HD2 LEU 17 -4.918 -5.494 -16.089 276 H VAL 18 H VAL 18 -5.557 -4.206 -10.171 277 HA VAL 18 HA VAL 18 -5.818 -7.073 -9.634 278 HB VAL 18 HB VAL 18 -5.546 -5.943 -7.169 279 1HG1 VAL 18 1HG1 VAL 18 -3.935 -7.314 -9.075 280 2HG1 VAL 18 2HG1 VAL 18 -2.944 -6.051 -8.342 281 3HG1 VAL 18 3HG1 VAL 18 -3.733 -7.256 -7.324 282 1HG2 VAL 18 1HG2 VAL 18 -5.471 -3.669 -8.368 283 2HG2 VAL 18 2HG2 VAL 18 -4.174 -4.014 -7.225 284 3HG2 VAL 18 3HG2 VAL 18 -3.888 -4.173 -8.959 285 H CYS 19 H CYS 19 -7.495 -4.094 -8.594 286 HA CYS 19 HA CYS 19 -9.482 -5.505 -7.051 287 1HB CYS 19 1HB CYS 19 -8.884 -3.043 -6.843 288 2HB CYS 19 2HB CYS 19 -9.791 -2.777 -8.330 289 H GLY 20 H GLY 20 -9.950 -3.689 -10.111 290 1HA GLY 20 1HA GLY 20 -10.887 -5.147 -12.008 291 2HA GLY 20 2HA GLY 20 -12.055 -5.697 -10.806 292 H GLU 21 H GLU 21 -13.948 -4.832 -11.618 293 HA GLU 21 HA GLU 21 -13.983 -1.978 -12.423 294 1HB GLU 21 1HB GLU 21 -15.519 -4.347 -13.093 295 2HB GLU 21 2HB GLU 21 -16.586 -3.036 -12.585 296 1HG GLU 21 1HG GLU 21 -16.348 -2.188 -14.662 297 2HG GLU 21 2HG GLU 21 -14.691 -1.783 -14.210 298 H ARG 22 H ARG 22 -13.634 -2.785 -9.595 299 HA ARG 22 HA ARG 22 -16.211 -1.831 -8.434 300 1HB ARG 22 1HB ARG 22 -13.877 -2.914 -6.858 301 2HB ARG 22 2HB ARG 22 -15.581 -2.862 -6.403 302 1HG ARG 22 1HG ARG 22 -15.853 -4.371 -8.573 303 2HG ARG 22 2HG ARG 22 -14.165 -4.757 -8.237 304 1HD ARG 22 1HD ARG 22 -15.635 -6.365 -7.108 305 2HD ARG 22 2HD ARG 22 -14.788 -5.379 -5.917 306 HE ARG 22 HE ARG 22 -17.163 -4.017 -6.326 307 1HH1 ARG 22 1HH1 ARG 22 -16.252 -7.254 -5.538 308 2HH1 ARG 22 2HH1 ARG 22 -17.673 -7.561 -4.597 309 1HH2 ARG 22 1HH2 ARG 22 -19.019 -4.407 -5.099 310 2HH2 ARG 22 2HH2 ARG 22 -19.236 -5.952 -4.348 311 H GLY 23 H GLY 23 -12.709 -1.219 -8.452 312 1HA GLY 23 1HA GLY 23 -11.996 1.163 -8.513 313 2HA GLY 23 2HA GLY 23 -13.306 1.512 -7.386 314 H PHE 24 H PHE 24 -10.669 2.251 -6.776 315 HA PHE 24 HA PHE 24 -10.214 0.553 -4.382 316 1HB PHE 24 1HB PHE 24 -7.681 0.850 -4.885 317 2HB PHE 24 2HB PHE 24 -8.566 -0.388 -5.777 318 HD1 PHE 24 HD1 PHE 24 -9.395 0.112 -8.104 319 HD2 PHE 24 HD2 PHE 24 -6.714 2.725 -5.999 320 HE1 PHE 24 HE1 PHE 24 -8.789 1.212 -10.242 321 HE2 PHE 24 HE2 PHE 24 -6.108 3.825 -8.137 322 HZ PHE 24 HZ PHE 24 -7.145 3.068 -10.258 323 H PHE 25 H PHE 25 -8.596 1.700 -2.883 324 HA PHE 25 HA PHE 25 -9.314 4.579 -2.836 325 1HB PHE 25 1HB PHE 25 -9.296 2.694 -0.848 326 2HB PHE 25 2HB PHE 25 -7.728 3.468 -0.608 327 HD1 PHE 25 HD1 PHE 25 -8.606 6.191 -1.803 328 HD2 PHE 25 HD2 PHE 25 -10.330 3.602 1.159 329 HE1 PHE 25 HE1 PHE 25 -9.726 8.139 -0.755 330 HE2 PHE 25 HE2 PHE 25 -11.451 5.551 2.208 331 HZ PHE 25 HZ PHE 25 -11.149 7.819 1.251 332 H TYR 26 H TYR 26 -7.872 5.790 -3.986 333 HA TYR 26 HA TYR 26 -5.178 6.111 -3.111 334 1HB TYR 26 1HB TYR 26 -4.929 3.863 -4.180 335 2HB TYR 26 2HB TYR 26 -5.448 4.570 -5.710 336 HD1 TYR 26 HD1 TYR 26 -3.290 6.086 -3.070 337 HD2 TYR 26 HD2 TYR 26 -3.498 4.486 -7.051 338 HE1 TYR 26 HE1 TYR 26 -0.974 6.858 -3.500 339 HE2 TYR 26 HE2 TYR 26 -1.181 5.259 -7.482 340 HH TYR 26 HH TYR 26 0.886 6.355 -4.976 341 H GLU 27 H GLU 27 -7.153 6.175 -6.095 342 HA GLU 27 HA GLU 27 -6.404 9.053 -6.364 343 1HB GLU 27 1HB GLU 27 -6.245 6.845 -8.379 344 2HB GLU 27 2HB GLU 27 -6.693 8.456 -8.939 345 1HG GLU 27 1HG GLU 27 -4.456 8.576 -7.090 346 2HG GLU 27 2HG GLU 27 -4.095 7.526 -8.459 347 HA PRO 28 HA PRO 28 -10.807 9.544 -6.387 348 1HB PRO 28 1HB PRO 28 -10.601 12.108 -7.638 349 2HB PRO 28 2HB PRO 28 -10.841 11.763 -5.921 350 1HG PRO 28 1HG PRO 28 -8.465 12.767 -7.209 351 2HG PRO 28 2HG PRO 28 -8.722 12.453 -5.488 352 1HD PRO 28 1HD PRO 28 -7.128 10.932 -7.338 353 2HD PRO 28 2HD PRO 28 -7.391 10.619 -5.613 354 H LYS 29 H LYS 29 -8.801 10.207 -9.222 355 HA LYS 29 HA LYS 29 -11.147 9.802 -11.000 356 1HB LYS 29 1HB LYS 29 -9.621 10.545 -12.799 357 2HB LYS 29 2HB LYS 29 -9.678 11.722 -11.486 358 1HG LYS 29 1HG LYS 29 -7.424 11.578 -11.435 359 2HG LYS 29 2HG LYS 29 -7.648 9.982 -10.717 360 1HD LYS 29 1HD LYS 29 -8.024 9.497 -13.415 361 2HD LYS 29 2HD LYS 29 -6.735 10.702 -13.410 362 1HE LYS 29 1HE LYS 29 -5.505 9.311 -11.734 363 2HE LYS 29 2HE LYS 29 -6.757 8.078 -11.890 364 1HZ LYS 29 1HZ LYS 29 -5.457 9.087 -14.318 365 2HZ LYS 29 2HZ LYS 29 -4.610 7.985 -13.342 366 3HZ LYS 29 3HZ LYS 29 -6.111 7.552 -14.000 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -1.094 0.887 2.210 2 2H GLY 1 2H GLY 1 -0.579 1.457 3.725 3 3H GLY 1 3H GLY 1 -1.075 2.554 2.525 4 1HA GLY 1 1HA GLY 1 1.190 2.730 2.350 5 2HA GLY 1 2HA GLY 1 1.426 1.025 2.734 6 H ILE 2 H ILE 2 -0.170 3.039 0.242 7 HA ILE 2 HA ILE 2 0.461 0.919 -1.752 8 HB ILE 2 HB ILE 2 -1.884 1.810 -1.563 9 1HG1 ILE 2 1HG1 ILE 2 -0.781 0.855 -3.688 10 2HG1 ILE 2 2HG1 ILE 2 -2.251 1.803 -3.902 11 1HG2 ILE 2 1HG2 ILE 2 -0.435 4.338 -2.299 12 2HG2 ILE 2 2HG2 ILE 2 -2.114 4.105 -2.783 13 3HG2 ILE 2 3HG2 ILE 2 -1.678 4.086 -1.075 14 1HD1 ILE 2 1HD1 ILE 2 -0.036 3.611 -3.947 15 2HD1 ILE 2 2HD1 ILE 2 0.332 2.272 -5.032 16 3HD1 ILE 2 3HD1 ILE 2 -1.143 3.209 -5.257 17 H VAL 3 H VAL 3 1.183 4.229 -0.861 18 HA VAL 3 HA VAL 3 2.712 4.679 -3.352 19 HB VAL 3 HB VAL 3 1.953 6.373 -0.978 20 1HG1 VAL 3 1HG1 VAL 3 4.372 6.784 -1.427 21 2HG1 VAL 3 2HG1 VAL 3 3.975 7.144 -3.108 22 3HG1 VAL 3 3HG1 VAL 3 3.372 8.185 -1.818 23 1HG2 VAL 3 1HG2 VAL 3 0.963 5.969 -3.586 24 2HG2 VAL 3 2HG2 VAL 3 0.466 7.219 -2.444 25 3HG2 VAL 3 3HG2 VAL 3 1.742 7.551 -3.615 26 H GLU 4 H GLU 4 3.361 4.558 0.167 27 HA GLU 4 HA GLU 4 6.198 4.761 -0.143 28 1HB GLU 4 1HB GLU 4 4.553 3.563 2.083 29 2HB GLU 4 2HB GLU 4 6.279 3.896 2.193 30 1HG GLU 4 1HG GLU 4 5.792 6.008 2.802 31 2HG GLU 4 2HG GLU 4 5.053 6.261 1.220 32 H GLN 5 H GLN 5 4.081 2.257 -0.932 33 HA GLN 5 HA GLN 5 6.113 0.141 -0.488 34 1HB GLN 5 1HB GLN 5 3.226 0.217 -0.701 35 2HB GLN 5 2HB GLN 5 3.898 -0.945 -1.845 36 1HG GLN 5 1HG GLN 5 3.660 -2.218 0.119 37 2HG GLN 5 2HG GLN 5 5.357 -1.735 0.160 38 1HE2 GLN 5 2HE2 GLN 5 2.184 -1.161 1.633 39 2HE2 GLN 5 1HE2 GLN 5 2.765 -0.257 2.948 40 H CYS 6 H CYS 6 4.423 1.813 -3.138 41 HA CYS 6 HA CYS 6 6.244 0.396 -5.043 42 1HB CYS 6 1HB CYS 6 3.446 1.385 -5.232 43 2HB CYS 6 2HB CYS 6 4.445 1.576 -6.674 44 H CYS 7 H CYS 7 4.860 3.599 -4.295 45 HA CYS 7 HA CYS 7 6.404 5.063 -6.183 46 1HB CYS 7 1HB CYS 7 4.497 5.992 -4.818 47 2HB CYS 7 2HB CYS 7 5.581 6.025 -3.427 48 H HIS 8 H HIS 8 7.143 4.041 -2.838 49 HA HIS 8 HA HIS 8 9.794 5.298 -2.944 50 1HB HIS 8 1HB HIS 8 8.673 3.284 -0.969 51 2HB HIS 8 2HB HIS 8 10.156 4.211 -0.767 52 HD1 HIS 8 HD1 HIS 8 7.640 6.307 -2.340 53 HD2 HIS 8 HD2 HIS 8 8.535 5.194 1.573 54 HE1 HIS 8 HE1 HIS 8 6.414 7.927 -0.832 55 H SER 9 H SER 9 8.707 1.898 -2.593 56 HA SER 9 HA SER 9 11.206 1.083 -4.021 57 1HB SER 9 1HB SER 9 10.945 -1.092 -2.876 58 2HB SER 9 2HB SER 9 11.041 0.227 -1.712 59 HG SER 9 HG SER 9 8.862 -1.355 -2.482 60 H ILE 10 H ILE 10 10.732 -1.266 -5.063 61 HA ILE 10 HA ILE 10 8.388 -0.820 -6.837 62 HB ILE 10 HB ILE 10 10.502 -2.938 -7.217 63 1HG1 ILE 10 1HG1 ILE 10 11.102 -0.647 -8.791 64 2HG1 ILE 10 2HG1 ILE 10 10.912 -0.091 -7.127 65 1HG2 ILE 10 1HG2 ILE 10 8.418 -1.559 -8.858 66 2HG2 ILE 10 2HG2 ILE 10 9.906 -2.056 -9.663 67 3HG2 ILE 10 3HG2 ILE 10 8.900 -3.256 -8.852 68 1HD1 ILE 10 1HD1 ILE 10 12.591 -2.501 -7.848 69 2HD1 ILE 10 2HD1 ILE 10 13.257 -0.870 -7.778 70 3HD1 ILE 10 3HD1 ILE 10 12.576 -1.608 -6.328 71 H CYS 11 H CYS 11 6.595 -2.086 -6.654 72 HA CYS 11 HA CYS 11 6.774 -4.470 -4.863 73 1HB CYS 11 1HB CYS 11 4.096 -3.584 -5.753 74 2HB CYS 11 2HB CYS 11 4.653 -4.028 -4.143 75 H SER 12 H SER 12 4.186 -5.449 -5.982 76 HA SER 12 HA SER 12 5.091 -6.320 -8.689 77 1HB SER 12 1HB SER 12 3.849 -8.554 -7.852 78 2HB SER 12 2HB SER 12 5.574 -8.297 -7.615 79 HG SER 12 HG SER 12 5.112 -8.482 -5.577 80 H LEU 13 H LEU 13 2.296 -7.442 -6.848 81 HA LEU 13 HA LEU 13 0.434 -5.589 -8.091 82 1HB LEU 13 1HB LEU 13 1.045 -8.153 -9.400 83 2HB LEU 13 2HB LEU 13 -0.673 -7.910 -9.088 84 HG LEU 13 HG LEU 13 0.943 -5.675 -10.277 85 1HD1 LEU 13 1HD1 LEU 13 -0.059 -8.159 -11.663 86 2HD1 LEU 13 2HD1 LEU 13 0.087 -6.629 -12.529 87 3HD1 LEU 13 3HD1 LEU 13 1.514 -7.376 -11.812 88 1HD2 LEU 13 1HD2 LEU 13 -1.435 -5.397 -9.476 89 2HD2 LEU 13 2HD2 LEU 13 -1.208 -5.031 -11.187 90 3HD2 LEU 13 3HD2 LEU 13 -1.924 -6.567 -10.701 91 H TYR 14 H TYR 14 0.943 -8.698 -6.458 92 HA TYR 14 HA TYR 14 -1.680 -9.000 -5.384 93 1HB TYR 14 1HB TYR 14 0.491 -10.558 -5.330 94 2HB TYR 14 2HB TYR 14 0.687 -9.811 -3.745 95 HD1 TYR 14 HD1 TYR 14 -2.599 -9.472 -3.823 96 HD2 TYR 14 HD2 TYR 14 0.221 -12.712 -3.955 97 HE1 TYR 14 HE1 TYR 14 -4.311 -11.001 -2.887 98 HE2 TYR 14 HE2 TYR 14 -1.495 -14.240 -3.019 99 HH TYR 14 HH TYR 14 -3.612 -13.958 -1.571 100 H GLN 15 H GLN 15 0.799 -6.731 -4.655 101 HA GLN 15 HA GLN 15 -0.129 -6.205 -1.919 102 1HB GLN 15 1HB GLN 15 1.548 -4.225 -3.399 103 2HB GLN 15 2HB GLN 15 1.684 -4.790 -1.734 104 1HG GLN 15 1HG GLN 15 2.174 -7.094 -3.158 105 2HG GLN 15 2HG GLN 15 2.917 -5.863 -4.180 106 1HE2 GLN 15 2HE2 GLN 15 3.715 -7.937 -1.750 107 2HE2 GLN 15 1HE2 GLN 15 4.931 -7.038 -0.979 108 H LEU 16 H LEU 16 -0.421 -4.693 -5.122 109 HA LEU 16 HA LEU 16 -2.029 -2.481 -4.084 110 1HB LEU 16 1HB LEU 16 -1.784 -3.351 -6.972 111 2HB LEU 16 2HB LEU 16 -2.159 -1.742 -6.354 112 HG LEU 16 HG LEU 16 0.453 -3.137 -5.741 113 1HD1 LEU 16 1HD1 LEU 16 -0.205 -1.233 -8.012 114 2HD1 LEU 16 2HD1 LEU 16 1.426 -1.720 -7.548 115 3HD1 LEU 16 3HD1 LEU 16 0.293 -2.918 -8.172 116 1HD2 LEU 16 1HD2 LEU 16 -0.715 -0.392 -5.394 117 2HD2 LEU 16 2HD2 LEU 16 0.219 -1.358 -4.252 118 3HD2 LEU 16 3HD2 LEU 16 1.028 -0.561 -5.601 119 H GLU 17 H GLU 17 -2.724 -5.650 -4.318 120 HA GLU 17 HA GLU 17 -5.360 -5.442 -5.599 121 1HB GLU 17 1HB GLU 17 -4.016 -7.524 -5.776 122 2HB GLU 17 2HB GLU 17 -4.124 -7.724 -4.026 123 1HG GLU 17 1HG GLU 17 -6.316 -8.380 -4.100 124 2HG GLU 17 2HG GLU 17 -6.696 -7.316 -5.455 125 H ASN 18 H ASN 18 -4.005 -5.220 -2.405 126 HA ASN 18 HA ASN 18 -6.600 -5.611 -1.080 127 1HB ASN 18 1HB ASN 18 -4.428 -4.318 0.453 128 2HB ASN 18 2HB ASN 18 -5.416 -5.717 0.865 129 1HD2 ASN 18 2HD2 ASN 18 -4.795 -7.823 -0.247 130 2HD2 ASN 18 1HD2 ASN 18 -3.168 -8.069 -0.663 131 H TYR 19 H TYR 19 -5.129 -3.104 -2.764 132 HA TYR 19 HA TYR 19 -6.295 -0.954 -1.107 133 1HB TYR 19 1HB TYR 19 -4.912 -0.718 -3.796 134 2HB TYR 19 2HB TYR 19 -5.208 0.573 -2.632 135 HD1 TYR 19 HD1 TYR 19 -4.593 -1.519 -0.254 136 HD2 TYR 19 HD2 TYR 19 -2.479 -0.129 -3.726 137 HE1 TYR 19 HE1 TYR 19 -2.434 -2.023 0.858 138 HE2 TYR 19 HE2 TYR 19 -0.322 -0.631 -2.614 139 HH TYR 19 HH TYR 19 -0.101 -2.512 0.208 140 H CYS 20 H CYS 20 -7.938 -3.027 -2.600 141 HA CYS 20 HA CYS 20 -9.382 -1.237 -4.493 142 1HB CYS 20 1HB CYS 20 -8.779 -3.462 -5.359 143 2HB CYS 20 2HB CYS 20 -9.642 -4.223 -4.023 144 H ASN 21 H ASN 21 -11.772 -1.194 -4.331 145 HA ASN 21 HA ASN 21 -12.650 -0.678 -1.649 146 1HB ASN 21 1HB ASN 21 -14.137 -1.015 -4.263 147 2HB ASN 21 2HB ASN 21 -14.956 -0.629 -2.750 148 1HD2 ASN 21 2HD2 ASN 21 -13.945 0.887 -5.431 149 2HD2 ASN 21 1HD2 ASN 21 -13.456 2.383 -4.794 150 1H GLU 1 1H GLU 1 16.545 -2.043 -14.448 151 2H GLU 1 2H GLU 1 17.838 -2.112 -13.349 152 3H GLU 1 3H GLU 1 18.093 -2.480 -14.988 153 HA GLU 1 HA GLU 1 17.082 -4.522 -14.855 154 1HB GLU 1 1HB GLU 1 17.973 -4.335 -11.990 155 2HB GLU 1 2HB GLU 1 18.231 -5.639 -13.150 156 1HG GLU 1 1HG GLU 1 19.568 -3.749 -14.455 157 2HG GLU 1 2HG GLU 1 19.714 -3.060 -12.838 158 H VAL 2 H VAL 2 15.631 -6.027 -13.603 159 HA VAL 2 HA VAL 2 13.407 -6.352 -12.877 160 HB VAL 2 HB VAL 2 13.120 -5.796 -10.548 161 1HG1 VAL 2 1HG1 VAL 2 15.958 -6.424 -11.367 162 2HG1 VAL 2 2HG1 VAL 2 15.479 -6.380 -9.670 163 3HG1 VAL 2 3HG1 VAL 2 14.719 -7.529 -10.771 164 1HG2 VAL 2 1HG2 VAL 2 13.851 -3.367 -10.918 165 2HG2 VAL 2 2HG2 VAL 2 14.381 -4.113 -9.411 166 3HG2 VAL 2 3HG2 VAL 2 15.509 -3.947 -10.757 167 H ASN 3 H ASN 3 11.808 -4.564 -11.286 168 HA ASN 3 HA ASN 3 11.128 -2.582 -13.403 169 1HB ASN 3 1HB ASN 3 9.569 -4.354 -11.851 170 2HB ASN 3 2HB ASN 3 9.201 -2.735 -11.255 171 1HD2 ASN 3 2HD2 ASN 3 7.015 -3.317 -12.364 172 2HD2 ASN 3 1HD2 ASN 3 6.870 -2.935 -14.012 173 H GLN 4 H GLN 4 10.691 -0.374 -12.785 174 HA GLN 4 HA GLN 4 12.304 0.483 -10.462 175 1HB GLN 4 1HB GLN 4 11.954 1.527 -12.997 176 2HB GLN 4 2HB GLN 4 10.938 2.573 -12.003 177 1HG GLN 4 1HG GLN 4 12.928 2.744 -10.403 178 2HG GLN 4 2HG GLN 4 13.891 2.009 -11.685 179 1HE2 GLN 4 2HE2 GLN 4 13.546 4.934 -10.469 180 2HE2 GLN 4 1HE2 GLN 4 13.512 5.895 -11.867 181 H HIS 5 H HIS 5 11.258 2.521 -9.301 182 HA HIS 5 HA HIS 5 8.994 1.590 -7.841 183 1HB HIS 5 1HB HIS 5 9.650 4.519 -8.094 184 2HB HIS 5 2HB HIS 5 9.089 3.630 -6.678 185 HD1 HIS 5 HD1 HIS 5 10.890 1.796 -5.729 186 HD2 HIS 5 HD2 HIS 5 12.406 4.786 -8.207 187 HE1 HIS 5 HE1 HIS 5 13.395 1.827 -5.364 188 H LEU 6 H LEU 6 6.827 1.754 -8.256 189 HA LEU 6 HA LEU 6 6.009 2.951 -10.820 190 1HB LEU 6 1HB LEU 6 4.896 1.002 -8.908 191 2HB LEU 6 2HB LEU 6 3.697 2.075 -9.633 192 HG LEU 6 HG LEU 6 4.697 1.519 -11.888 193 1HD1 LEU 6 1HD1 LEU 6 6.886 0.735 -10.994 194 2HD1 LEU 6 2HD1 LEU 6 6.072 -0.662 -10.289 195 3HD1 LEU 6 3HD1 LEU 6 6.124 -0.462 -12.041 196 1HD2 LEU 6 1HD2 LEU 6 2.961 -0.014 -10.207 197 2HD2 LEU 6 2HD2 LEU 6 2.956 0.089 -11.968 198 3HD2 LEU 6 3HD2 LEU 6 3.928 -1.140 -11.160 199 H CYS 7 H CYS 7 6.436 5.202 -10.144 200 HA CYS 7 HA CYS 7 4.180 6.272 -8.499 201 1HB CYS 7 1HB CYS 7 6.680 6.310 -7.554 202 2HB CYS 7 2HB CYS 7 6.779 7.746 -8.574 203 H GLY 8 H GLY 8 2.896 7.166 -10.068 204 1HA GLY 8 1HA GLY 8 2.917 9.480 -11.269 205 2HA GLY 8 2HA GLY 8 4.214 8.755 -12.221 206 H SER 9 H SER 9 1.001 7.665 -11.085 207 HA SER 9 HA SER 9 -0.869 7.006 -12.380 208 1HB SER 9 1HB SER 9 0.228 8.567 -14.180 209 2HB SER 9 2HB SER 9 0.790 7.056 -14.887 210 HG SER 9 HG SER 9 -1.147 7.157 -15.760 211 H GLU 10 H GLU 10 2.285 5.699 -13.461 212 HA GLU 10 HA GLU 10 1.525 3.200 -14.379 213 1HB GLU 10 1HB GLU 10 3.693 2.359 -13.285 214 2HB GLU 10 2HB GLU 10 3.848 3.713 -14.404 215 1HG GLU 10 1HG GLU 10 3.328 4.940 -11.961 216 2HG GLU 10 2HG GLU 10 4.405 3.609 -11.540 217 H LEU 11 H LEU 11 1.312 4.397 -11.108 218 HA LEU 11 HA LEU 11 0.999 1.782 -9.875 219 1HB LEU 11 1HB LEU 11 1.712 4.068 -8.814 220 2HB LEU 11 2HB LEU 11 -0.024 4.346 -8.685 221 HG LEU 11 HG LEU 11 0.658 3.331 -6.619 222 1HD1 LEU 11 1HD1 LEU 11 -1.391 2.390 -7.893 223 2HD1 LEU 11 2HD1 LEU 11 -0.370 0.988 -8.219 224 3HD1 LEU 11 3HD1 LEU 11 -0.752 1.434 -6.556 225 1HD2 LEU 11 1HD2 LEU 11 2.233 1.550 -8.454 226 2HD2 LEU 11 2HD2 LEU 11 2.757 2.383 -6.991 227 3HD2 LEU 11 3HD2 LEU 11 1.746 0.942 -6.871 228 H VAL 12 H VAL 12 -1.245 4.397 -10.839 229 HA VAL 12 HA VAL 12 -3.614 3.036 -9.964 230 HB VAL 12 HB VAL 12 -3.277 5.535 -10.633 231 1HG1 VAL 12 1HG1 VAL 12 -3.998 4.295 -13.306 232 2HG1 VAL 12 2HG1 VAL 12 -3.999 6.022 -12.953 233 3HG1 VAL 12 3HG1 VAL 12 -2.487 5.116 -12.922 234 1HG2 VAL 12 1HG2 VAL 12 -5.497 3.882 -10.336 235 2HG2 VAL 12 2HG2 VAL 12 -5.520 5.646 -10.371 236 3HG2 VAL 12 3HG2 VAL 12 -5.810 4.731 -11.851 237 H GLU 13 H GLU 13 -2.054 3.239 -13.172 238 HA GLU 13 HA GLU 13 -3.937 1.693 -14.607 239 1HB GLU 13 1HB GLU 13 -0.925 1.746 -14.979 240 2HB GLU 13 2HB GLU 13 -2.109 1.239 -16.185 241 1HG GLU 13 1HG GLU 13 -3.140 3.634 -15.698 242 2HG GLU 13 2HG GLU 13 -1.493 3.991 -15.174 243 H ALA 14 H ALA 14 -1.346 0.725 -12.429 244 HA ALA 14 HA ALA 14 -1.755 -2.132 -13.051 245 1HB ALA 14 1HB ALA 14 0.232 -0.523 -11.567 246 2HB ALA 14 2HB ALA 14 -0.148 -2.081 -10.832 247 3HB ALA 14 3HB ALA 14 0.452 -2.010 -12.489 248 H LEU 15 H LEU 15 -2.937 0.255 -10.889 249 HA LEU 15 HA LEU 15 -3.729 -1.581 -8.765 250 1HB LEU 15 1HB LEU 15 -3.870 1.305 -9.292 251 2HB LEU 15 2HB LEU 15 -5.308 0.674 -8.488 252 HG LEU 15 HG LEU 15 -2.482 0.107 -7.558 253 1HD1 LEU 15 1HD1 LEU 15 -3.202 2.552 -7.434 254 2HD1 LEU 15 2HD1 LEU 15 -4.461 2.029 -6.315 255 3HD1 LEU 15 3HD1 LEU 15 -2.761 1.807 -5.896 256 1HD2 LEU 15 1HD2 LEU 15 -5.254 -0.402 -6.461 257 2HD2 LEU 15 2HD2 LEU 15 -3.978 -1.578 -6.775 258 3HD2 LEU 15 3HD2 LEU 15 -3.821 -0.444 -5.434 259 H GLU 16 H GLU 16 -5.069 -0.461 -11.771 260 HA GLU 16 HA GLU 16 -7.792 -1.358 -11.084 261 1HB GLU 16 1HB GLU 16 -8.328 -0.685 -13.410 262 2HB GLU 16 2HB GLU 16 -7.513 0.612 -12.535 263 1HG GLU 16 1HG GLU 16 -5.475 0.261 -13.660 264 2HG GLU 16 2HG GLU 16 -5.937 -1.359 -14.179 265 H LEU 17 H LEU 17 -4.952 -2.847 -12.028 266 HA LEU 17 HA LEU 17 -6.343 -4.923 -13.643 267 1HB LEU 17 1HB LEU 17 -3.683 -3.822 -13.630 268 2HB LEU 17 2HB LEU 17 -3.594 -5.557 -13.319 269 HG LEU 17 HG LEU 17 -5.442 -5.518 -15.311 270 1HD1 LEU 17 1HD1 LEU 17 -4.071 -2.944 -15.363 271 2HD1 LEU 17 2HD1 LEU 17 -3.839 -3.840 -16.865 272 3HD1 LEU 17 3HD1 LEU 17 -5.469 -3.485 -16.292 273 1HD2 LEU 17 1HD2 LEU 17 -2.449 -5.753 -15.275 274 2HD2 LEU 17 2HD2 LEU 17 -3.661 -7.002 -15.559 275 3HD2 LEU 17 3HD2 LEU 17 -3.294 -5.827 -16.822 276 H VAL 18 H VAL 18 -5.156 -4.312 -10.474 277 HA VAL 18 HA VAL 18 -4.801 -7.131 -9.776 278 HB VAL 18 HB VAL 18 -5.098 -5.825 -7.381 279 1HG1 VAL 18 1HG1 VAL 18 -2.891 -6.716 -9.105 280 2HG1 VAL 18 2HG1 VAL 18 -2.426 -5.528 -7.889 281 3HG1 VAL 18 3HG1 VAL 18 -3.188 -7.041 -7.398 282 1HG2 VAL 18 1HG2 VAL 18 -5.297 -3.664 -8.728 283 2HG2 VAL 18 2HG2 VAL 18 -4.058 -3.684 -7.474 284 3HG2 VAL 18 3HG2 VAL 18 -3.606 -3.902 -9.163 285 H CYS 19 H CYS 19 -7.140 -4.596 -8.813 286 HA CYS 19 HA CYS 19 -8.923 -6.457 -7.536 287 1HB CYS 19 1HB CYS 19 -8.811 -3.911 -7.229 288 2HB CYS 19 2HB CYS 19 -9.739 -3.804 -8.725 289 H GLY 20 H GLY 20 -9.565 -4.563 -10.511 290 1HA GLY 20 1HA GLY 20 -10.028 -6.023 -12.572 291 2HA GLY 20 2HA GLY 20 -11.113 -6.920 -11.508 292 H GLU 21 H GLU 21 -13.121 -6.424 -12.319 293 HA GLU 21 HA GLU 21 -13.750 -3.645 -13.086 294 1HB GLU 21 1HB GLU 21 -14.922 -6.309 -13.540 295 2HB GLU 21 2HB GLU 21 -16.115 -5.041 -13.251 296 1HG GLU 21 1HG GLU 21 -15.833 -4.338 -15.368 297 2HG GLU 21 2HG GLU 21 -14.160 -3.932 -14.979 298 H ARG 22 H ARG 22 -13.166 -4.240 -10.268 299 HA ARG 22 HA ARG 22 -15.849 -3.855 -9.023 300 1HB ARG 22 1HB ARG 22 -13.426 -4.102 -7.318 301 2HB ARG 22 2HB ARG 22 -15.025 -4.813 -7.107 302 1HG ARG 22 1HG ARG 22 -12.924 -5.734 -9.093 303 2HG ARG 22 2HG ARG 22 -13.367 -6.562 -7.600 304 1HD ARG 22 1HD ARG 22 -15.768 -6.589 -8.531 305 2HD ARG 22 2HD ARG 22 -15.040 -6.164 -10.081 306 HE ARG 22 HE ARG 22 -13.572 -8.358 -9.255 307 1HH1 ARG 22 1HH1 ARG 22 -16.921 -7.611 -9.652 308 2HH1 ARG 22 2HH1 ARG 22 -17.367 -9.236 -10.052 309 1HH2 ARG 22 1HH2 ARG 22 -14.143 -10.477 -9.775 310 2HH2 ARG 22 2HH2 ARG 22 -15.798 -10.856 -10.122 311 H GLY 23 H GLY 23 -12.639 -2.395 -9.351 312 1HA GLY 23 1HA GLY 23 -12.341 0.010 -9.447 313 2HA GLY 23 2HA GLY 23 -13.834 0.200 -8.528 314 H PHE 24 H PHE 24 -10.803 0.932 -8.127 315 HA PHE 24 HA PHE 24 -10.690 -0.054 -5.303 316 1HB PHE 24 1HB PHE 24 -8.179 0.309 -5.537 317 2HB PHE 24 2HB PHE 24 -8.839 -1.037 -6.468 318 HD1 PHE 24 HD1 PHE 24 -9.401 -0.677 -8.912 319 HD2 PHE 24 HD2 PHE 24 -7.109 2.135 -6.615 320 HE1 PHE 24 HE1 PHE 24 -8.553 0.344 -11.007 321 HE2 PHE 24 HE2 PHE 24 -6.258 3.158 -8.711 322 HZ PHE 24 HZ PHE 24 -6.980 2.259 -10.904 323 H PHE 25 H PHE 25 -9.577 1.493 -3.813 324 HA PHE 25 HA PHE 25 -10.305 4.287 -4.553 325 1HB PHE 25 1HB PHE 25 -11.279 3.203 -2.474 326 2HB PHE 25 2HB PHE 25 -9.649 3.204 -1.801 327 HD1 PHE 25 HD1 PHE 25 -8.379 5.504 -1.871 328 HD2 PHE 25 HD2 PHE 25 -12.642 5.080 -2.178 329 HE1 PHE 25 HE1 PHE 25 -8.664 7.868 -1.180 330 HE2 PHE 25 HE2 PHE 25 -12.927 7.443 -1.486 331 HZ PHE 25 HZ PHE 25 -10.938 8.838 -0.988 332 H TYR 26 H TYR 26 -8.460 5.052 -5.604 333 HA TYR 26 HA TYR 26 -6.010 5.207 -3.912 334 1HB TYR 26 1HB TYR 26 -5.642 3.411 -5.556 335 2HB TYR 26 2HB TYR 26 -6.068 4.512 -6.866 336 HD1 TYR 26 HD1 TYR 26 -4.123 5.373 -3.818 337 HD2 TYR 26 HD2 TYR 26 -3.988 4.613 -8.043 338 HE1 TYR 26 HE1 TYR 26 -1.784 6.195 -3.891 339 HE2 TYR 26 HE2 TYR 26 -1.649 5.434 -8.117 340 HH TYR 26 HH TYR 26 -0.248 7.129 -6.575 341 H GLU 27 H GLU 27 -8.125 7.154 -4.447 342 HA GLU 27 HA GLU 27 -6.427 9.383 -5.247 343 1HB GLU 27 1HB GLU 27 -8.419 8.218 -7.129 344 2HB GLU 27 2HB GLU 27 -8.386 9.978 -7.003 345 1HG GLU 27 1HG GLU 27 -5.736 9.509 -7.151 346 2HG GLU 27 2HG GLU 27 -6.322 8.116 -8.061 347 HA PRO 28 HA PRO 28 -9.510 10.392 -2.029 348 1HB PRO 28 1HB PRO 28 -7.768 12.564 -1.317 349 2HB PRO 28 2HB PRO 28 -8.079 11.076 -0.411 350 1HG PRO 28 1HG PRO 28 -5.701 11.792 -1.872 351 2HG PRO 28 2HG PRO 28 -6.008 10.317 -0.944 352 1HD PRO 28 1HD PRO 28 -5.875 10.594 -3.796 353 2HD PRO 28 2HD PRO 28 -6.235 9.130 -2.865 354 H LYS 29 H LYS 29 -7.957 12.280 -4.531 355 HA LYS 29 HA LYS 29 -9.885 14.500 -4.223 356 1HB LYS 29 1HB LYS 29 -8.612 15.600 -5.970 357 2HB LYS 29 2HB LYS 29 -7.473 14.912 -4.812 358 1HG LYS 29 1HG LYS 29 -7.664 12.808 -6.450 359 2HG LYS 29 2HG LYS 29 -8.068 14.071 -7.613 360 1HD LYS 29 1HD LYS 29 -5.847 14.975 -6.052 361 2HD LYS 29 2HD LYS 29 -5.487 13.350 -6.636 362 1HE LYS 29 1HE LYS 29 -5.280 14.054 -8.775 363 2HE LYS 29 2HE LYS 29 -6.748 15.027 -8.677 364 1HZ LYS 29 1HZ LYS 29 -4.256 15.884 -7.347 365 2HZ LYS 29 2HZ LYS 29 -4.533 16.227 -8.988 366 3HZ LYS 29 3HZ LYS 29 -5.594 16.824 -7.807 Start of MODEL 19 1 1H GLY 1 1H GLY 1 1.075 3.089 1.997 2 2H GLY 1 2H GLY 1 0.066 1.723 2.047 3 3H GLY 1 3H GLY 1 1.018 2.131 3.395 4 1HA GLY 1 1HA GLY 1 3.028 1.633 2.219 5 2HA GLY 1 2HA GLY 1 1.936 0.251 2.125 6 H ILE 2 H ILE 2 0.391 2.357 0.249 7 HA ILE 2 HA ILE 2 1.142 1.095 -2.210 8 HB ILE 2 HB ILE 2 -0.409 3.621 -1.600 9 1HG1 ILE 2 1HG1 ILE 2 -1.345 1.005 -2.802 10 2HG1 ILE 2 2HG1 ILE 2 -1.305 1.279 -1.060 11 1HG2 ILE 2 1HG2 ILE 2 0.381 2.389 -4.234 12 2HG2 ILE 2 2HG2 ILE 2 -1.135 3.276 -4.083 13 3HG2 ILE 2 3HG2 ILE 2 0.397 4.088 -3.760 14 1HD1 ILE 2 1HD1 ILE 2 -2.757 3.262 -1.344 15 2HD1 ILE 2 2HD1 ILE 2 -2.813 2.965 -3.081 16 3HD1 ILE 2 3HD1 ILE 2 -3.533 1.806 -1.964 17 H VAL 3 H VAL 3 1.790 4.417 -1.031 18 HA VAL 3 HA VAL 3 3.778 4.777 -3.184 19 HB VAL 3 HB VAL 3 2.950 6.660 -0.955 20 1HG1 VAL 3 1HG1 VAL 3 5.215 6.942 -2.189 21 2HG1 VAL 3 2HG1 VAL 3 4.235 7.378 -3.587 22 3HG1 VAL 3 3HG1 VAL 3 4.141 8.338 -2.110 23 1HG2 VAL 3 1HG2 VAL 3 1.153 5.921 -2.627 24 2HG2 VAL 3 2HG2 VAL 3 1.445 7.656 -2.518 25 3HG2 VAL 3 3HG2 VAL 3 2.114 6.733 -3.862 26 H GLU 4 H GLU 4 3.699 3.918 0.178 27 HA GLU 4 HA GLU 4 6.462 4.712 0.698 28 1HB GLU 4 1HB GLU 4 5.059 2.661 2.361 29 2HB GLU 4 2HB GLU 4 6.103 3.986 2.867 30 1HG GLU 4 1HG GLU 4 4.158 5.465 1.851 31 2HG GLU 4 2HG GLU 4 3.195 4.029 2.194 32 H GLN 5 H GLN 5 4.862 1.942 -0.646 33 HA GLN 5 HA GLN 5 7.391 0.372 -0.408 34 1HB GLN 5 1HB GLN 5 4.534 -0.477 -0.954 35 2HB GLN 5 2HB GLN 5 5.914 -1.566 -1.108 36 1HG GLN 5 1HG GLN 5 6.064 -0.156 1.405 37 2HG GLN 5 2HG GLN 5 4.490 -0.937 1.251 38 1HE2 GLN 5 2HE2 GLN 5 5.018 -2.628 2.801 39 2HE2 GLN 5 1HE2 GLN 5 6.138 -3.850 2.436 40 H CYS 6 H CYS 6 5.133 1.814 -2.674 41 HA CYS 6 HA CYS 6 6.563 0.576 -4.955 42 1HB CYS 6 1HB CYS 6 4.151 2.407 -4.881 43 2HB CYS 6 2HB CYS 6 4.788 1.613 -6.320 44 H CYS 7 H CYS 7 6.248 3.623 -3.260 45 HA CYS 7 HA CYS 7 7.710 5.064 -5.387 46 1HB CYS 7 1HB CYS 7 5.797 5.955 -3.759 47 2HB CYS 7 2HB CYS 7 7.183 6.303 -2.729 48 H HIS 8 H HIS 8 8.185 3.920 -2.054 49 HA HIS 8 HA HIS 8 10.999 4.838 -2.110 50 1HB HIS 8 1HB HIS 8 9.497 3.307 0.036 51 2HB HIS 8 2HB HIS 8 11.077 4.071 0.210 52 HD1 HIS 8 HD1 HIS 8 8.128 4.774 1.587 53 HD2 HIS 8 HD2 HIS 8 10.304 6.993 -1.189 54 HE1 HIS 8 HE1 HIS 8 7.333 7.168 1.803 55 H SER 9 H SER 9 9.489 2.370 -3.524 56 HA SER 9 HA SER 9 11.848 0.752 -3.776 57 1HB SER 9 1HB SER 9 10.236 -1.232 -2.686 58 2HB SER 9 2HB SER 9 11.639 -0.505 -1.910 59 HG SER 9 HG SER 9 10.348 0.503 -0.594 60 H ILE 10 H ILE 10 10.815 -1.650 -4.579 61 HA ILE 10 HA ILE 10 8.879 -0.832 -6.708 62 HB ILE 10 HB ILE 10 10.800 -3.168 -6.818 63 1HG1 ILE 10 1HG1 ILE 10 11.278 -0.619 -8.316 64 2HG1 ILE 10 2HG1 ILE 10 11.736 -0.683 -6.613 65 1HG2 ILE 10 1HG2 ILE 10 9.098 -1.686 -8.834 66 2HG2 ILE 10 2HG2 ILE 10 10.391 -2.787 -9.305 67 3HG2 ILE 10 3HG2 ILE 10 9.009 -3.391 -8.393 68 1HD1 ILE 10 1HD1 ILE 10 12.591 -2.732 -8.676 69 2HD1 ILE 10 2HD1 ILE 10 13.585 -1.365 -8.171 70 3HD1 ILE 10 3HD1 ILE 10 13.148 -2.617 -7.007 71 H CYS 11 H CYS 11 6.874 -1.565 -6.176 72 HA CYS 11 HA CYS 11 6.495 -3.890 -4.452 73 1HB CYS 11 1HB CYS 11 4.401 -2.460 -6.110 74 2HB CYS 11 2HB CYS 11 4.140 -3.433 -4.663 75 H SER 12 H SER 12 4.605 -5.460 -5.423 76 HA SER 12 HA SER 12 5.674 -6.393 -8.056 77 1HB SER 12 1HB SER 12 5.954 -8.412 -7.098 78 2HB SER 12 2HB SER 12 5.372 -7.767 -5.568 79 HG SER 12 HG SER 12 4.016 -9.158 -7.584 80 H LEU 13 H LEU 13 2.695 -7.079 -6.186 81 HA LEU 13 HA LEU 13 0.927 -5.617 -7.856 82 1HB LEU 13 1HB LEU 13 1.886 -8.106 -9.003 83 2HB LEU 13 2HB LEU 13 0.136 -8.144 -8.782 84 HG LEU 13 HG LEU 13 1.461 -5.723 -9.983 85 1HD1 LEU 13 1HD1 LEU 13 1.428 -8.379 -11.111 86 2HD1 LEU 13 2HD1 LEU 13 0.393 -7.316 -12.065 87 3HD1 LEU 13 3HD1 LEU 13 2.085 -6.895 -11.801 88 1HD2 LEU 13 1HD2 LEU 13 -1.148 -6.383 -9.265 89 2HD2 LEU 13 2HD2 LEU 13 -0.680 -5.077 -10.354 90 3HD2 LEU 13 3HD2 LEU 13 -1.117 -6.656 -11.007 91 H TYR 14 H TYR 14 1.298 -8.687 -6.078 92 HA TYR 14 HA TYR 14 -1.432 -8.926 -5.282 93 1HB TYR 14 1HB TYR 14 -0.562 -10.380 -3.466 94 2HB TYR 14 2HB TYR 14 0.160 -10.779 -5.025 95 HD1 TYR 14 HD1 TYR 14 0.732 -9.144 -1.756 96 HD2 TYR 14 HD2 TYR 14 2.497 -10.355 -5.480 97 HE1 TYR 14 HE1 TYR 14 2.991 -8.732 -0.819 98 HE2 TYR 14 HE2 TYR 14 4.756 -9.943 -4.544 99 HH TYR 14 HH TYR 14 5.509 -9.837 -1.552 100 H GLN 15 H GLN 15 0.993 -6.695 -4.338 101 HA GLN 15 HA GLN 15 -0.065 -6.145 -1.678 102 1HB GLN 15 1HB GLN 15 1.604 -4.257 -3.348 103 2HB GLN 15 2HB GLN 15 1.527 -4.380 -1.590 104 1HG GLN 15 1HG GLN 15 2.280 -6.916 -2.819 105 2HG GLN 15 2HG GLN 15 3.402 -5.622 -3.241 106 1HE2 GLN 15 2HE2 GLN 15 4.898 -6.992 -1.772 107 2HE2 GLN 15 1HE2 GLN 15 4.848 -6.675 -0.105 108 H LEU 16 H LEU 16 -0.571 -4.886 -4.935 109 HA LEU 16 HA LEU 16 -2.281 -2.700 -3.951 110 1HB LEU 16 1HB LEU 16 -1.868 -3.650 -6.800 111 2HB LEU 16 2HB LEU 16 -2.511 -2.090 -6.282 112 HG LEU 16 HG LEU 16 0.239 -3.020 -5.456 113 1HD1 LEU 16 1HD1 LEU 16 -0.598 -1.528 -7.956 114 2HD1 LEU 16 2HD1 LEU 16 1.055 -1.538 -7.340 115 3HD1 LEU 16 3HD1 LEU 16 0.300 -3.042 -7.865 116 1HD2 LEU 16 1HD2 LEU 16 -1.267 -0.401 -5.542 117 2HD2 LEU 16 2HD2 LEU 16 -0.512 -1.185 -4.154 118 3HD2 LEU 16 3HD2 LEU 16 0.490 -0.452 -5.405 119 H GLU 17 H GLU 17 -2.662 -5.997 -4.551 120 HA GLU 17 HA GLU 17 -5.351 -5.932 -5.645 121 1HB GLU 17 1HB GLU 17 -3.878 -7.907 -5.903 122 2HB GLU 17 2HB GLU 17 -3.920 -8.154 -4.156 123 1HG GLU 17 1HG GLU 17 -6.051 -8.981 -4.189 124 2HG GLU 17 2HG GLU 17 -6.561 -7.892 -5.479 125 H ASN 18 H ASN 18 -4.016 -5.445 -2.518 126 HA ASN 18 HA ASN 18 -6.491 -6.210 -1.112 127 1HB ASN 18 1HB ASN 18 -4.487 -4.600 0.347 128 2HB ASN 18 2HB ASN 18 -5.258 -6.117 0.803 129 1HD2 ASN 18 2HD2 ASN 18 -4.501 -7.935 -1.059 130 2HD2 ASN 18 1HD2 ASN 18 -2.812 -8.038 -1.193 131 H TYR 19 H TYR 19 -5.345 -3.520 -2.805 132 HA TYR 19 HA TYR 19 -6.902 -1.584 -1.187 133 1HB TYR 19 1HB TYR 19 -5.361 -1.017 -3.726 134 2HB TYR 19 2HB TYR 19 -5.824 0.121 -2.460 135 HD1 TYR 19 HD1 TYR 19 -5.166 -1.979 -0.190 136 HD2 TYR 19 HD2 TYR 19 -2.972 -0.418 -3.536 137 HE1 TYR 19 HE1 TYR 19 -3.035 -2.436 0.995 138 HE2 TYR 19 HE2 TYR 19 -0.841 -0.874 -2.351 139 HH TYR 19 HH TYR 19 -0.729 -2.739 0.577 140 H CYS 20 H CYS 20 -7.726 -3.819 -3.364 141 HA CYS 20 HA CYS 20 -9.354 -2.139 -5.154 142 1HB CYS 20 1HB CYS 20 -8.482 -4.081 -6.212 143 2HB CYS 20 2HB CYS 20 -8.921 -5.117 -4.857 144 H ASN 21 H ASN 21 -11.615 -1.950 -5.014 145 HA ASN 21 HA ASN 21 -12.793 -2.135 -2.414 146 1HB ASN 21 1HB ASN 21 -13.739 -1.498 -5.160 147 2HB ASN 21 2HB ASN 21 -14.973 -2.023 -4.013 148 1HD2 ASN 21 2HD2 ASN 21 -13.440 0.713 -5.140 149 2HD2 ASN 21 1HD2 ASN 21 -13.653 1.725 -3.795 150 1H GLU 1 1H GLU 1 8.398 0.172 -12.635 151 2H GLU 1 2H GLU 1 7.908 1.646 -13.325 152 3H GLU 1 3H GLU 1 6.801 0.709 -12.439 153 HA GLU 1 HA GLU 1 6.193 -0.367 -14.256 154 1HB GLU 1 1HB GLU 1 6.884 1.853 -15.298 155 2HB GLU 1 2HB GLU 1 8.401 1.071 -15.743 156 1HG GLU 1 1HG GLU 1 7.262 -0.553 -17.100 157 2HG GLU 1 2HG GLU 1 5.687 -0.042 -16.490 158 H VAL 2 H VAL 2 6.728 -2.499 -13.889 159 HA VAL 2 HA VAL 2 7.824 -4.518 -14.436 160 HB VAL 2 HB VAL 2 10.139 -2.957 -15.564 161 1HG1 VAL 2 1HG1 VAL 2 9.156 -5.705 -15.561 162 2HG1 VAL 2 2HG1 VAL 2 9.451 -5.108 -17.194 163 3HG1 VAL 2 3HG1 VAL 2 10.748 -5.088 -15.999 164 1HG2 VAL 2 1HG2 VAL 2 7.366 -2.859 -16.433 165 2HG2 VAL 2 2HG2 VAL 2 8.755 -1.960 -17.043 166 3HG2 VAL 2 3HG2 VAL 2 8.396 -3.565 -17.678 167 H ASN 3 H ASN 3 10.595 -2.319 -13.883 168 HA ASN 3 HA ASN 3 10.996 -3.653 -11.248 169 1HB ASN 3 1HB ASN 3 13.278 -3.086 -13.152 170 2HB ASN 3 2HB ASN 3 13.309 -4.058 -11.680 171 1HD2 ASN 3 2HD2 ASN 3 13.858 -4.798 -14.617 172 2HD2 ASN 3 1HD2 ASN 3 12.857 -6.140 -14.897 173 H GLN 4 H GLN 4 9.875 -1.094 -11.710 174 HA GLN 4 HA GLN 4 12.044 0.631 -10.595 175 1HB GLN 4 1HB GLN 4 11.263 1.077 -13.061 176 2HB GLN 4 2HB GLN 4 9.843 1.782 -12.287 177 1HG GLN 4 1HG GLN 4 11.442 3.165 -10.875 178 2HG GLN 4 2HG GLN 4 12.732 2.611 -11.944 179 1HE2 GLN 4 2HE2 GLN 4 10.752 5.210 -11.512 180 2HE2 GLN 4 1HE2 GLN 4 10.596 5.733 -13.119 181 H HIS 5 H HIS 5 11.290 2.219 -9.064 182 HA HIS 5 HA HIS 5 9.223 1.341 -7.322 183 1HB HIS 5 1HB HIS 5 10.391 4.122 -7.641 184 2HB HIS 5 2HB HIS 5 9.462 3.555 -6.253 185 HD1 HIS 5 HD1 HIS 5 11.524 3.831 -4.671 186 HD2 HIS 5 HD2 HIS 5 12.117 1.123 -7.783 187 HE1 HIS 5 HE1 HIS 5 13.605 2.516 -4.091 188 H LEU 6 H LEU 6 7.179 1.095 -8.269 189 HA LEU 6 HA LEU 6 6.050 2.823 -10.221 190 1HB LEU 6 1HB LEU 6 4.751 1.032 -8.154 191 2HB LEU 6 2HB LEU 6 3.826 1.921 -9.363 192 HG LEU 6 HG LEU 6 5.494 0.831 -11.055 193 1HD1 LEU 6 1HD1 LEU 6 6.141 -0.477 -8.520 194 2HD1 LEU 6 2HD1 LEU 6 5.704 -1.632 -9.779 195 3HD1 LEU 6 3HD1 LEU 6 7.026 -0.494 -10.046 196 1HD2 LEU 6 1HD2 LEU 6 3.199 -0.530 -9.636 197 2HD2 LEU 6 2HD2 LEU 6 3.184 0.292 -11.196 198 3HD2 LEU 6 3HD2 LEU 6 3.991 -1.267 -11.029 199 H CYS 7 H CYS 7 5.933 5.003 -9.865 200 HA CYS 7 HA CYS 7 4.337 5.908 -7.539 201 1HB CYS 7 1HB CYS 7 6.962 5.983 -7.168 202 2HB CYS 7 2HB CYS 7 6.841 7.436 -8.160 203 H GLY 8 H GLY 8 2.691 6.715 -8.811 204 1HA GLY 8 1HA GLY 8 2.376 9.136 -9.811 205 2HA GLY 8 2HA GLY 8 3.404 8.487 -11.091 206 H SER 9 H SER 9 2.344 7.554 -12.771 207 HA SER 9 HA SER 9 -0.510 6.791 -12.349 208 1HB SER 9 1HB SER 9 1.078 7.646 -14.763 209 2HB SER 9 2HB SER 9 -0.434 6.761 -14.954 210 HG SER 9 HG SER 9 -1.144 8.781 -14.838 211 H GLU 10 H GLU 10 2.582 5.452 -12.688 212 HA GLU 10 HA GLU 10 1.831 3.048 -14.151 213 1HB GLU 10 1HB GLU 10 4.030 2.189 -13.361 214 2HB GLU 10 2HB GLU 10 4.175 3.787 -14.092 215 1HG GLU 10 1HG GLU 10 3.708 4.504 -11.527 216 2HG GLU 10 2HG GLU 10 4.525 2.963 -11.265 217 H LEU 11 H LEU 11 2.056 4.018 -10.765 218 HA LEU 11 HA LEU 11 1.629 1.407 -9.639 219 1HB LEU 11 1HB LEU 11 2.484 3.425 -8.390 220 2HB LEU 11 2HB LEU 11 0.851 4.087 -8.451 221 HG LEU 11 HG LEU 11 1.463 2.815 -6.321 222 1HD1 LEU 11 1HD1 LEU 11 -0.910 3.149 -7.577 223 2HD1 LEU 11 2HD1 LEU 11 -0.840 1.387 -7.541 224 3HD1 LEU 11 3HD1 LEU 11 -0.751 2.305 -6.037 225 1HD2 LEU 11 1HD2 LEU 11 2.547 0.970 -7.880 226 2HD2 LEU 11 2HD2 LEU 11 1.761 0.508 -6.371 227 3HD2 LEU 11 3HD2 LEU 11 0.904 0.326 -7.901 228 H VAL 12 H VAL 12 -0.582 4.098 -10.401 229 HA VAL 12 HA VAL 12 -2.967 2.749 -9.551 230 HB VAL 12 HB VAL 12 -2.520 5.279 -10.162 231 1HG1 VAL 12 1HG1 VAL 12 -3.455 4.114 -12.801 232 2HG1 VAL 12 2HG1 VAL 12 -3.439 5.832 -12.413 233 3HG1 VAL 12 3HG1 VAL 12 -1.923 4.935 -12.503 234 1HG2 VAL 12 1HG2 VAL 12 -4.706 3.910 -9.491 235 2HG2 VAL 12 2HG2 VAL 12 -4.804 5.594 -10.008 236 3HG2 VAL 12 3HG2 VAL 12 -5.165 4.298 -11.149 237 H GLU 13 H GLU 13 -1.293 2.955 -12.679 238 HA GLU 13 HA GLU 13 -3.211 1.612 -14.274 239 1HB GLU 13 1HB GLU 13 -0.922 2.738 -14.911 240 2HB GLU 13 2HB GLU 13 -0.268 1.120 -14.647 241 1HG GLU 13 1HG GLU 13 -2.454 0.529 -16.157 242 2HG GLU 13 2HG GLU 13 -2.032 2.113 -16.807 243 H ALA 14 H ALA 14 -0.865 0.406 -11.964 244 HA ALA 14 HA ALA 14 -1.394 -2.400 -12.716 245 1HB ALA 14 1HB ALA 14 0.648 -0.972 -11.224 246 2HB ALA 14 2HB ALA 14 0.020 -2.324 -10.281 247 3HB ALA 14 3HB ALA 14 0.695 -2.606 -11.885 248 H LEU 15 H LEU 15 -2.492 -0.007 -10.478 249 HA LEU 15 HA LEU 15 -3.544 -1.756 -8.452 250 1HB LEU 15 1HB LEU 15 -3.690 1.091 -9.152 251 2HB LEU 15 2HB LEU 15 -5.166 0.481 -8.417 252 HG LEU 15 HG LEU 15 -2.435 -0.061 -7.244 253 1HD1 LEU 15 1HD1 LEU 15 -3.024 2.425 -7.430 254 2HD1 LEU 15 2HD1 LEU 15 -4.354 2.086 -6.321 255 3HD1 LEU 15 3HD1 LEU 15 -2.687 1.822 -5.806 256 1HD2 LEU 15 1HD2 LEU 15 -4.518 -1.451 -6.660 257 2HD2 LEU 15 2HD2 LEU 15 -3.658 -0.721 -5.304 258 3HD2 LEU 15 3HD2 LEU 15 -5.147 0.013 -5.902 259 H GLU 16 H GLU 16 -5.195 -0.044 -11.145 260 HA GLU 16 HA GLU 16 -7.709 -1.361 -10.779 261 1HB GLU 16 1HB GLU 16 -6.431 0.344 -12.819 262 2HB GLU 16 2HB GLU 16 -7.670 -0.741 -13.448 263 1HG GLU 16 1HG GLU 16 -8.970 0.149 -11.279 264 2HG GLU 16 2HG GLU 16 -7.920 1.540 -11.553 265 H LEU 17 H LEU 17 -4.754 -2.627 -11.854 266 HA LEU 17 HA LEU 17 -5.959 -4.561 -13.722 267 1HB LEU 17 1HB LEU 17 -3.296 -3.584 -13.130 268 2HB LEU 17 2HB LEU 17 -3.325 -5.348 -13.118 269 HG LEU 17 HG LEU 17 -4.741 -5.034 -15.325 270 1HD1 LEU 17 1HD1 LEU 17 -4.661 -2.477 -14.906 271 2HD1 LEU 17 2HD1 LEU 17 -2.997 -2.577 -15.481 272 3HD1 LEU 17 3HD1 LEU 17 -4.326 -3.050 -16.539 273 1HD2 LEU 17 1HD2 LEU 17 -1.814 -5.034 -14.811 274 2HD2 LEU 17 2HD2 LEU 17 -2.793 -6.175 -15.732 275 3HD2 LEU 17 3HD2 LEU 17 -2.311 -4.640 -16.455 276 H VAL 18 H VAL 18 -5.069 -4.361 -10.363 277 HA VAL 18 HA VAL 18 -5.340 -7.308 -10.087 278 HB VAL 18 HB VAL 18 -4.837 -6.246 -7.554 279 1HG1 VAL 18 1HG1 VAL 18 -3.901 -8.297 -8.623 280 2HG1 VAL 18 2HG1 VAL 18 -2.838 -7.270 -9.587 281 3HG1 VAL 18 3HG1 VAL 18 -2.666 -7.317 -7.832 282 1HG2 VAL 18 1HG2 VAL 18 -4.317 -4.062 -8.668 283 2HG2 VAL 18 2HG2 VAL 18 -2.928 -4.765 -7.838 284 3HG2 VAL 18 3HG2 VAL 18 -3.056 -4.881 -9.591 285 H CYS 19 H CYS 19 -7.189 -4.488 -9.830 286 HA CYS 19 HA CYS 19 -8.874 -5.392 -7.618 287 1HB CYS 19 1HB CYS 19 -8.560 -2.977 -8.162 288 2HB CYS 19 2HB CYS 19 -9.403 -3.237 -9.688 289 H GLY 20 H GLY 20 -10.013 -4.520 -10.887 290 1HA GLY 20 1HA GLY 20 -10.758 -6.664 -12.210 291 2HA GLY 20 2HA GLY 20 -11.761 -6.932 -10.784 292 H GLU 21 H GLU 21 -11.000 -4.003 -12.699 293 HA GLU 21 HA GLU 21 -12.440 -2.413 -13.648 294 1HB GLU 21 1HB GLU 21 -13.512 -5.016 -14.264 295 2HB GLU 21 2HB GLU 21 -14.837 -3.881 -14.001 296 1HG GLU 21 1HG GLU 21 -13.018 -2.405 -15.495 297 2HG GLU 21 2HG GLU 21 -12.924 -4.016 -16.209 298 H ARG 22 H ARG 22 -12.650 -3.354 -10.653 299 HA ARG 22 HA ARG 22 -15.368 -2.298 -10.072 300 1HB ARG 22 1HB ARG 22 -13.295 -3.773 -8.449 301 2HB ARG 22 2HB ARG 22 -14.629 -2.927 -7.662 302 1HG ARG 22 1HG ARG 22 -16.256 -4.299 -8.675 303 2HG ARG 22 2HG ARG 22 -15.139 -4.856 -9.921 304 1HD ARG 22 1HD ARG 22 -14.167 -6.416 -8.547 305 2HD ARG 22 2HD ARG 22 -14.384 -5.430 -7.102 306 HE ARG 22 HE ARG 22 -16.964 -6.154 -7.794 307 1HH1 ARG 22 1HH1 ARG 22 -13.974 -7.793 -7.242 308 2HH1 ARG 22 2HH1 ARG 22 -14.726 -9.236 -6.649 309 1HH2 ARG 22 1HH2 ARG 22 -17.955 -8.031 -7.024 310 2HH2 ARG 22 2HH2 ARG 22 -16.977 -9.371 -6.527 311 H GLY 23 H GLY 23 -11.952 -1.564 -9.701 312 1HA GLY 23 1HA GLY 23 -11.168 0.726 -9.609 313 2HA GLY 23 2HA GLY 23 -12.714 1.197 -8.902 314 H PHE 24 H PHE 24 -10.604 2.138 -7.577 315 HA PHE 24 HA PHE 24 -10.653 0.578 -5.064 316 1HB PHE 24 1HB PHE 24 -8.100 1.038 -4.896 317 2HB PHE 24 2HB PHE 24 -8.630 -0.299 -5.916 318 HD1 PHE 24 HD1 PHE 24 -7.750 3.333 -6.024 319 HD2 PHE 24 HD2 PHE 24 -8.077 -0.352 -8.205 320 HE1 PHE 24 HE1 PHE 24 -6.676 4.401 -7.992 321 HE2 PHE 24 HE2 PHE 24 -7.000 0.717 -10.168 322 HZ PHE 24 HZ PHE 24 -6.307 3.090 -10.062 323 H PHE 25 H PHE 25 -8.906 2.102 -3.577 324 HA PHE 25 HA PHE 25 -9.983 4.876 -3.901 325 1HB PHE 25 1HB PHE 25 -9.664 4.912 -1.311 326 2HB PHE 25 2HB PHE 25 -11.076 4.088 -1.973 327 HD1 PHE 25 HD1 PHE 25 -11.049 1.591 -2.240 328 HD2 PHE 25 HD2 PHE 25 -7.947 3.713 -0.161 329 HE1 PHE 25 HE1 PHE 25 -10.303 -0.529 -1.190 330 HE2 PHE 25 HE2 PHE 25 -7.201 1.594 0.889 331 HZ PHE 25 HZ PHE 25 -8.378 -0.526 0.375 332 H TYR 26 H TYR 26 -7.868 5.005 -5.175 333 HA TYR 26 HA TYR 26 -5.553 5.395 -3.321 334 1HB TYR 26 1HB TYR 26 -5.113 3.713 -5.038 335 2HB TYR 26 2HB TYR 26 -5.611 4.838 -6.302 336 HD1 TYR 26 HD1 TYR 26 -3.737 5.953 -3.335 337 HD2 TYR 26 HD2 TYR 26 -3.458 4.777 -7.458 338 HE1 TYR 26 HE1 TYR 26 -1.432 6.861 -3.438 339 HE2 TYR 26 HE2 TYR 26 -1.153 5.686 -7.560 340 HH TYR 26 HH TYR 26 0.188 7.590 -4.968 341 H GLU 27 H GLU 27 -7.609 6.889 -5.727 342 HA GLU 27 HA GLU 27 -6.965 9.537 -4.897 343 1HB GLU 27 1HB GLU 27 -5.019 8.393 -6.624 344 2HB GLU 27 2HB GLU 27 -5.920 9.574 -7.575 345 1HG GLU 27 1HG GLU 27 -5.594 10.955 -5.253 346 2HG GLU 27 2HG GLU 27 -4.114 9.994 -5.270 347 HA PRO 28 HA PRO 28 -10.686 8.739 -7.618 348 1HB PRO 28 1HB PRO 28 -12.407 9.727 -5.616 349 2HB PRO 28 2HB PRO 28 -12.159 8.025 -6.035 350 1HG PRO 28 1HG PRO 28 -11.242 9.480 -3.673 351 2HG PRO 28 2HG PRO 28 -11.241 7.734 -3.970 352 1HD PRO 28 1HD PRO 28 -8.991 9.485 -3.999 353 2HD PRO 28 2HD PRO 28 -9.019 7.770 -4.449 354 H LYS 29 H LYS 29 -9.555 10.679 -8.644 355 HA LYS 29 HA LYS 29 -10.903 13.206 -7.784 356 1HB LYS 29 1HB LYS 29 -8.942 14.436 -8.571 357 2HB LYS 29 2HB LYS 29 -8.439 13.223 -7.393 358 1HG LYS 29 1HG LYS 29 -7.136 12.195 -8.912 359 2HG LYS 29 2HG LYS 29 -8.476 12.084 -10.053 360 1HD LYS 29 1HD LYS 29 -7.154 13.495 -11.282 361 2HD LYS 29 2HD LYS 29 -7.927 14.719 -10.272 362 1HE LYS 29 1HE LYS 29 -5.736 13.650 -8.795 363 2HE LYS 29 2HE LYS 29 -5.150 14.031 -10.414 364 1HZ LYS 29 1HZ LYS 29 -6.867 16.076 -9.473 365 2HZ LYS 29 2HZ LYS 29 -5.624 15.799 -8.348 366 3HZ LYS 29 3HZ LYS 29 -5.245 16.183 -9.959 Start of MODEL 20 1 1H GLY 1 1H GLY 1 0.680 -0.424 1.546 2 2H GLY 1 2H GLY 1 1.762 -0.561 2.850 3 3H GLY 1 3H GLY 1 0.326 0.330 3.024 4 1HA GLY 1 1HA GLY 1 1.285 2.170 2.291 5 2HA GLY 1 2HA GLY 1 2.811 1.285 2.277 6 H ILE 2 H ILE 2 -0.050 2.025 0.306 7 HA ILE 2 HA ILE 2 0.796 0.824 -2.114 8 HB ILE 2 HB ILE 2 -1.454 1.739 -1.852 9 1HG1 ILE 2 1HG1 ILE 2 0.110 3.260 -3.964 10 2HG1 ILE 2 2HG1 ILE 2 -0.488 1.610 -4.139 11 1HG2 ILE 2 1HG2 ILE 2 -0.014 4.402 -1.716 12 2HG2 ILE 2 2HG2 ILE 2 -1.761 4.220 -1.871 13 3HG2 ILE 2 3HG2 ILE 2 -0.938 3.641 -0.422 14 1HD1 ILE 2 1HD1 ILE 2 -2.507 3.604 -3.290 15 2HD1 ILE 2 2HD1 ILE 2 -1.889 3.803 -4.931 16 3HD1 ILE 2 3HD1 ILE 2 -2.647 2.284 -4.451 17 H VAL 3 H VAL 3 1.625 3.960 -0.688 18 HA VAL 3 HA VAL 3 3.287 4.649 -3.032 19 HB VAL 3 HB VAL 3 2.668 6.091 -0.441 20 1HG1 VAL 3 1HG1 VAL 3 4.445 6.902 -2.760 21 2HG1 VAL 3 2HG1 VAL 3 3.885 8.010 -1.508 22 3HG1 VAL 3 3HG1 VAL 3 4.941 6.663 -1.084 23 1HG2 VAL 3 1HG2 VAL 3 1.147 5.825 -2.688 24 2HG2 VAL 3 2HG2 VAL 3 1.101 7.244 -1.642 25 3HG2 VAL 3 3HG2 VAL 3 2.088 7.257 -3.103 26 H GLU 4 H GLU 4 3.677 3.586 0.318 27 HA GLU 4 HA GLU 4 6.560 3.993 0.332 28 1HB GLU 4 1HB GLU 4 4.988 2.131 2.120 29 2HB GLU 4 2HB GLU 4 6.527 2.918 2.469 30 1HG GLU 4 1HG GLU 4 5.541 5.004 2.804 31 2HG GLU 4 2HG GLU 4 4.122 4.600 1.835 32 H GLN 5 H GLN 5 4.558 1.707 -1.148 33 HA GLN 5 HA GLN 5 6.780 -0.296 -1.187 34 1HB GLN 5 1HB GLN 5 3.792 -0.570 -1.288 35 2HB GLN 5 2HB GLN 5 4.796 -1.794 -2.065 36 1HG GLN 5 1HG GLN 5 6.103 -1.881 0.153 37 2HG GLN 5 2HG GLN 5 4.743 -0.998 0.847 38 1HE2 GLN 5 2HE2 GLN 5 5.142 -3.524 1.876 39 2HE2 GLN 5 1HE2 GLN 5 3.976 -4.607 1.286 40 H CYS 6 H CYS 6 4.598 1.649 -3.142 41 HA CYS 6 HA CYS 6 5.897 0.536 -5.590 42 1HB CYS 6 1HB CYS 6 3.251 1.943 -5.179 43 2HB CYS 6 2HB CYS 6 3.927 1.605 -6.774 44 H CYS 7 H CYS 7 6.166 3.094 -3.518 45 HA CYS 7 HA CYS 7 7.028 4.918 -5.725 46 1HB CYS 7 1HB CYS 7 5.065 5.555 -4.066 47 2HB CYS 7 2HB CYS 7 6.405 5.979 -3.003 48 H HIS 8 H HIS 8 7.648 4.206 -2.264 49 HA HIS 8 HA HIS 8 10.330 5.314 -2.386 50 1HB HIS 8 1HB HIS 8 9.178 3.408 -0.328 51 2HB HIS 8 2HB HIS 8 10.562 4.481 -0.120 52 HD1 HIS 8 HD1 HIS 8 8.564 5.070 1.909 53 HD2 HIS 8 HD2 HIS 8 8.156 6.637 -1.933 54 HE1 HIS 8 HE1 HIS 8 7.013 7.063 2.109 55 H SER 9 H SER 9 8.948 2.388 -3.410 56 HA SER 9 HA SER 9 11.569 1.323 -4.131 57 1HB SER 9 1HB SER 9 11.393 -0.763 -2.897 58 2HB SER 9 2HB SER 9 11.270 0.568 -1.749 59 HG SER 9 HG SER 9 8.869 0.283 -2.305 60 H ILE 10 H ILE 10 11.165 -0.944 -5.231 61 HA ILE 10 HA ILE 10 8.883 -0.541 -7.049 62 HB ILE 10 HB ILE 10 10.829 -2.845 -7.152 63 1HG1 ILE 10 1HG1 ILE 10 12.409 -1.133 -7.123 64 2HG1 ILE 10 2HG1 ILE 10 12.016 -1.179 -8.839 65 1HG2 ILE 10 1HG2 ILE 10 8.767 -2.696 -8.632 66 2HG2 ILE 10 2HG2 ILE 10 9.505 -1.274 -9.372 67 3HG2 ILE 10 3HG2 ILE 10 10.303 -2.843 -9.486 68 1HD1 ILE 10 1HD1 ILE 10 10.106 0.541 -7.924 69 2HD1 ILE 10 2HD1 ILE 10 11.436 0.908 -6.830 70 3HD1 ILE 10 3HD1 ILE 10 11.663 1.055 -8.573 71 H CYS 11 H CYS 11 7.070 -1.814 -7.107 72 HA CYS 11 HA CYS 11 6.889 -3.949 -5.024 73 1HB CYS 11 1HB CYS 11 4.352 -3.505 -5.308 74 2HB CYS 11 2HB CYS 11 5.301 -2.295 -4.449 75 H SER 12 H SER 12 4.222 -3.936 -7.127 76 HA SER 12 HA SER 12 5.138 -5.289 -9.413 77 1HB SER 12 1HB SER 12 4.459 -7.675 -8.618 78 2HB SER 12 2HB SER 12 6.056 -7.072 -8.184 79 HG SER 12 HG SER 12 5.335 -7.622 -6.255 80 H LEU 13 H LEU 13 2.727 -6.988 -7.543 81 HA LEU 13 HA LEU 13 0.510 -5.345 -8.534 82 1HB LEU 13 1HB LEU 13 1.360 -7.852 -9.870 83 2HB LEU 13 2HB LEU 13 -0.366 -7.716 -9.533 84 HG LEU 13 HG LEU 13 1.244 -5.551 -10.905 85 1HD1 LEU 13 1HD1 LEU 13 0.654 -8.022 -11.978 86 2HD1 LEU 13 2HD1 LEU 13 -0.727 -7.051 -12.484 87 3HD1 LEU 13 3HD1 LEU 13 0.908 -6.549 -12.913 88 1HD2 LEU 13 1HD2 LEU 13 -1.282 -5.551 -9.683 89 2HD2 LEU 13 2HD2 LEU 13 -0.658 -4.338 -10.801 90 3HD2 LEU 13 3HD2 LEU 13 -1.617 -5.686 -11.410 91 H TYR 14 H TYR 14 1.497 -8.466 -7.125 92 HA TYR 14 HA TYR 14 -0.924 -9.134 -5.842 93 1HB TYR 14 1HB TYR 14 1.582 -10.221 -5.903 94 2HB TYR 14 2HB TYR 14 1.523 -9.607 -4.250 95 HD1 TYR 14 HD1 TYR 14 -0.343 -11.695 -6.719 96 HD2 TYR 14 HD2 TYR 14 0.273 -10.721 -2.582 97 HE1 TYR 14 HE1 TYR 14 -1.775 -13.609 -6.055 98 HE2 TYR 14 HE2 TYR 14 -1.157 -12.634 -1.917 99 HH TYR 14 HH TYR 14 -1.777 -15.031 -3.307 100 H GLN 15 H GLN 15 1.343 -6.601 -5.154 101 HA GLN 15 HA GLN 15 0.388 -6.166 -2.415 102 1HB GLN 15 1HB GLN 15 1.953 -4.192 -4.085 103 2HB GLN 15 2HB GLN 15 1.940 -4.374 -2.330 104 1HG GLN 15 1HG GLN 15 2.959 -6.507 -4.225 105 2HG GLN 15 2HG GLN 15 3.998 -5.314 -3.447 106 1HE2 GLN 15 2HE2 GLN 15 4.903 -6.047 -1.529 107 2HE2 GLN 15 1HE2 GLN 15 4.208 -7.201 -0.497 108 H LEU 16 H LEU 16 -0.142 -4.777 -5.632 109 HA LEU 16 HA LEU 16 -1.824 -2.613 -4.680 110 1HB LEU 16 1HB LEU 16 -1.675 -3.875 -7.437 111 2HB LEU 16 2HB LEU 16 -2.386 -2.308 -7.049 112 HG LEU 16 HG LEU 16 0.279 -2.438 -5.970 113 1HD1 LEU 16 1HD1 LEU 16 -0.121 -3.491 -8.730 114 2HD1 LEU 16 2HD1 LEU 16 1.206 -2.355 -8.488 115 3HD1 LEU 16 3HD1 LEU 16 1.149 -3.853 -7.561 116 1HD2 LEU 16 1HD2 LEU 16 -0.997 -0.808 -8.192 117 2HD2 LEU 16 2HD2 LEU 16 -0.941 -0.373 -6.483 118 3HD2 LEU 16 3HD2 LEU 16 0.548 -0.434 -7.427 119 H GLU 17 H GLU 17 -2.287 -5.945 -4.890 120 HA GLU 17 HA GLU 17 -5.111 -5.922 -5.613 121 1HB GLU 17 1HB GLU 17 -3.665 -7.914 -5.967 122 2HB GLU 17 2HB GLU 17 -3.480 -8.069 -4.220 123 1HG GLU 17 1HG GLU 17 -6.116 -8.037 -4.236 124 2HG GLU 17 2HG GLU 17 -5.912 -8.539 -5.915 125 H ASN 18 H ASN 18 -3.285 -5.379 -2.731 126 HA ASN 18 HA ASN 18 -5.497 -6.020 -0.914 127 1HB ASN 18 1HB ASN 18 -3.341 -4.264 0.089 128 2HB ASN 18 2HB ASN 18 -3.980 -5.758 0.769 129 1HD2 ASN 18 2HD2 ASN 18 -3.459 -7.706 -1.033 130 2HD2 ASN 18 1HD2 ASN 18 -1.812 -7.779 -1.437 131 H TYR 19 H TYR 19 -4.620 -3.402 -2.902 132 HA TYR 19 HA TYR 19 -6.070 -1.421 -1.236 133 1HB TYR 19 1HB TYR 19 -4.870 -0.923 -3.961 134 2HB TYR 19 2HB TYR 19 -5.174 0.241 -2.670 135 HD1 TYR 19 HD1 TYR 19 -4.159 -1.700 -0.436 136 HD2 TYR 19 HD2 TYR 19 -2.496 -0.355 -4.160 137 HE1 TYR 19 HE1 TYR 19 -1.873 -2.080 0.447 138 HE2 TYR 19 HE2 TYR 19 -0.210 -0.734 -3.277 139 HH TYR 19 HH TYR 19 0.330 -2.343 -0.211 140 H CYS 20 H CYS 20 -7.143 -3.815 -2.979 141 HA CYS 20 HA CYS 20 -9.018 -2.258 -4.685 142 1HB CYS 20 1HB CYS 20 -7.981 -4.100 -5.843 143 2HB CYS 20 2HB CYS 20 -8.364 -5.212 -4.530 144 H ASN 21 H ASN 21 -11.150 -2.059 -4.120 145 HA ASN 21 HA ASN 21 -11.993 -2.885 -1.475 146 1HB ASN 21 1HB ASN 21 -14.049 -1.768 -1.977 147 2HB ASN 21 2HB ASN 21 -12.781 -0.823 -2.760 148 1HD2 ASN 21 2HD2 ASN 21 -13.284 -0.272 -4.862 149 2HD2 ASN 21 1HD2 ASN 21 -14.258 -1.180 -5.914 150 1H GLU 1 1H GLU 1 16.633 -5.167 -12.402 151 2H GLU 1 2H GLU 1 18.054 -5.779 -11.701 152 3H GLU 1 3H GLU 1 17.662 -6.165 -13.308 153 HA GLU 1 HA GLU 1 16.139 -7.722 -12.741 154 1HB GLU 1 1HB GLU 1 17.752 -7.601 -10.176 155 2HB GLU 1 2HB GLU 1 16.968 -9.020 -10.870 156 1HG GLU 1 1HG GLU 1 19.154 -7.448 -12.260 157 2HG GLU 1 2HG GLU 1 19.439 -8.915 -11.322 158 H VAL 2 H VAL 2 14.713 -5.448 -12.349 159 HA VAL 2 HA VAL 2 12.756 -6.182 -10.425 160 HB VAL 2 HB VAL 2 14.626 -5.489 -8.859 161 1HG1 VAL 2 1HG1 VAL 2 14.037 -2.812 -10.152 162 2HG1 VAL 2 2HG1 VAL 2 14.925 -2.997 -8.639 163 3HG1 VAL 2 3HG1 VAL 2 15.580 -3.666 -10.133 164 1HG2 VAL 2 1HG2 VAL 2 11.901 -5.069 -8.714 165 2HG2 VAL 2 2HG2 VAL 2 13.026 -4.866 -7.371 166 3HG2 VAL 2 3HG2 VAL 2 12.547 -3.472 -8.340 167 H ASN 3 H ASN 3 10.921 -4.832 -10.603 168 HA ASN 3 HA ASN 3 10.722 -3.246 -12.975 169 1HB ASN 3 1HB ASN 3 8.943 -4.293 -11.084 170 2HB ASN 3 2HB ASN 3 8.742 -2.545 -10.957 171 1HD2 ASN 3 2HD2 ASN 3 6.801 -4.446 -12.146 172 2HD2 ASN 3 1HD2 ASN 3 6.611 -3.979 -13.767 173 H GLN 4 H GLN 4 9.239 -0.971 -11.826 174 HA GLN 4 HA GLN 4 11.488 0.526 -10.551 175 1HB GLN 4 1HB GLN 4 9.742 1.403 -12.864 176 2HB GLN 4 2HB GLN 4 10.763 2.506 -11.941 177 1HG GLN 4 1HG GLN 4 12.228 0.128 -12.765 178 2HG GLN 4 2HG GLN 4 11.555 0.990 -14.149 179 1HE2 GLN 4 2HE2 GLN 4 12.557 2.514 -11.075 180 2HE2 GLN 4 1HE2 GLN 4 13.819 3.425 -11.751 181 H HIS 5 H HIS 5 10.701 2.545 -9.458 182 HA HIS 5 HA HIS 5 8.496 1.984 -7.724 183 1HB HIS 5 1HB HIS 5 9.510 4.774 -8.253 184 2HB HIS 5 2HB HIS 5 8.919 4.088 -6.741 185 HD1 HIS 5 HD1 HIS 5 10.576 2.786 -5.294 186 HD2 HIS 5 HD2 HIS 5 12.206 3.990 -8.936 187 HE1 HIS 5 HE1 HIS 5 13.070 2.369 -5.136 188 H LEU 6 H LEU 6 6.492 1.731 -8.736 189 HA LEU 6 HA LEU 6 5.640 3.522 -10.876 190 1HB LEU 6 1HB LEU 6 4.234 1.384 -9.262 191 2HB LEU 6 2HB LEU 6 3.369 2.396 -10.418 192 HG LEU 6 HG LEU 6 5.368 1.678 -12.004 193 1HD1 LEU 6 1HD1 LEU 6 6.084 0.254 -9.796 194 2HD1 LEU 6 2HD1 LEU 6 5.095 -0.936 -10.641 195 3HD1 LEU 6 3HD1 LEU 6 6.497 -0.227 -11.441 196 1HD2 LEU 6 1HD2 LEU 6 2.748 0.443 -11.335 197 2HD2 LEU 6 2HD2 LEU 6 3.331 1.082 -12.872 198 3HD2 LEU 6 3HD2 LEU 6 3.824 -0.526 -12.341 199 H CYS 7 H CYS 7 5.434 5.642 -10.222 200 HA CYS 7 HA CYS 7 3.500 6.159 -8.010 201 1HB CYS 7 1HB CYS 7 6.217 6.578 -7.742 202 2HB CYS 7 2HB CYS 7 5.634 8.163 -8.247 203 H GLY 8 H GLY 8 1.914 7.526 -8.680 204 1HA GLY 8 1HA GLY 8 1.407 9.750 -9.728 205 2HA GLY 8 2HA GLY 8 2.497 9.282 -11.034 206 H SER 9 H SER 9 1.599 8.273 -12.779 207 HA SER 9 HA SER 9 -1.256 7.441 -12.543 208 1HB SER 9 1HB SER 9 -1.344 7.683 -14.978 209 2HB SER 9 2HB SER 9 -0.694 9.155 -14.263 210 HG SER 9 HG SER 9 0.550 7.184 -15.791 211 H GLU 10 H GLU 10 1.905 6.354 -13.788 212 HA GLU 10 HA GLU 10 1.175 3.885 -14.863 213 1HB GLU 10 1HB GLU 10 3.523 3.187 -13.836 214 2HB GLU 10 2HB GLU 10 3.407 4.340 -15.158 215 1HG GLU 10 1HG GLU 10 4.899 4.982 -13.149 216 2HG GLU 10 2HG GLU 10 3.773 6.193 -13.761 217 H LEU 11 H LEU 11 0.956 4.864 -11.553 218 HA LEU 11 HA LEU 11 0.990 2.088 -10.560 219 1HB LEU 11 1HB LEU 11 1.956 3.881 -9.163 220 2HB LEU 11 2HB LEU 11 0.390 4.692 -9.123 221 HG LEU 11 HG LEU 11 -0.517 2.439 -8.209 222 1HD1 LEU 11 1HD1 LEU 11 2.470 2.111 -7.961 223 2HD1 LEU 11 2HD1 LEU 11 1.377 1.326 -6.821 224 3HD1 LEU 11 3HD1 LEU 11 1.278 0.948 -8.541 225 1HD2 LEU 11 1HD2 LEU 11 0.567 4.745 -6.989 226 2HD2 LEU 11 2HD2 LEU 11 -0.572 3.601 -6.278 227 3HD2 LEU 11 3HD2 LEU 11 1.164 3.378 -6.048 228 H VAL 12 H VAL 12 -1.349 4.773 -10.872 229 HA VAL 12 HA VAL 12 -3.597 3.363 -9.856 230 HB VAL 12 HB VAL 12 -3.356 5.877 -10.488 231 1HG1 VAL 12 1HG1 VAL 12 -2.877 5.135 -12.948 232 2HG1 VAL 12 2HG1 VAL 12 -4.628 4.983 -13.063 233 3HG1 VAL 12 3HG1 VAL 12 -3.901 6.541 -12.667 234 1HG2 VAL 12 1HG2 VAL 12 -5.867 4.308 -11.150 235 2HG2 VAL 12 2HG2 VAL 12 -5.396 4.880 -9.550 236 3HG2 VAL 12 3HG2 VAL 12 -5.812 6.038 -10.814 237 H GLU 13 H GLU 13 -2.150 3.426 -13.090 238 HA GLU 13 HA GLU 13 -4.253 1.966 -14.396 239 1HB GLU 13 1HB GLU 13 -1.527 2.839 -15.028 240 2HB GLU 13 2HB GLU 13 -1.921 1.269 -15.731 241 1HG GLU 13 1HG GLU 13 -2.971 2.422 -17.368 242 2HG GLU 13 2HG GLU 13 -4.221 2.765 -16.171 243 H ALA 14 H ALA 14 -1.542 1.044 -12.388 244 HA ALA 14 HA ALA 14 -1.950 -1.827 -12.988 245 1HB ALA 14 1HB ALA 14 0.251 -0.266 -12.073 246 2HB ALA 14 2HB ALA 14 -0.174 -1.383 -10.774 247 3HB ALA 14 3HB ALA 14 0.211 -2.004 -12.377 248 H LEU 15 H LEU 15 -3.145 0.552 -10.898 249 HA LEU 15 HA LEU 15 -3.696 -1.264 -8.650 250 1HB LEU 15 1HB LEU 15 -3.914 1.625 -9.202 251 2HB LEU 15 2HB LEU 15 -5.242 0.978 -8.240 252 HG LEU 15 HG LEU 15 -2.335 0.429 -7.602 253 1HD1 LEU 15 1HD1 LEU 15 -3.429 2.923 -7.497 254 2HD1 LEU 15 2HD1 LEU 15 -3.878 2.304 -5.907 255 3HD1 LEU 15 3HD1 LEU 15 -2.181 2.355 -6.387 256 1HD2 LEU 15 1HD2 LEU 15 -4.854 -0.545 -6.635 257 2HD2 LEU 15 2HD2 LEU 15 -3.235 -0.960 -6.071 258 3HD2 LEU 15 3HD2 LEU 15 -4.096 0.403 -5.355 259 H GLU 16 H GLU 16 -5.268 -0.014 -11.510 260 HA GLU 16 HA GLU 16 -7.905 -1.054 -10.681 261 1HB GLU 16 1HB GLU 16 -8.743 -0.053 -12.696 262 2HB GLU 16 2HB GLU 16 -7.589 1.097 -12.019 263 1HG GLU 16 1HG GLU 16 -6.557 1.057 -14.026 264 2HG GLU 16 2HG GLU 16 -6.019 -0.570 -13.609 265 H LEU 17 H LEU 17 -5.139 -1.999 -12.564 266 HA LEU 17 HA LEU 17 -6.418 -3.951 -14.231 267 1HB LEU 17 1HB LEU 17 -4.275 -4.546 -14.886 268 2HB LEU 17 2HB LEU 17 -3.942 -2.956 -14.211 269 HG LEU 17 HG LEU 17 -3.585 -4.251 -11.969 270 1HD1 LEU 17 1HD1 LEU 17 -3.863 -6.388 -13.985 271 2HD1 LEU 17 2HD1 LEU 17 -2.439 -6.537 -12.957 272 3HD1 LEU 17 3HD1 LEU 17 -4.045 -6.464 -12.234 273 1HD2 LEU 17 1HD2 LEU 17 -1.881 -3.539 -14.171 274 2HD2 LEU 17 2HD2 LEU 17 -1.485 -3.587 -12.453 275 3HD2 LEU 17 3HD2 LEU 17 -1.276 -5.029 -13.448 276 H VAL 18 H VAL 18 -5.252 -3.994 -10.919 277 HA VAL 18 HA VAL 18 -5.693 -6.889 -10.683 278 HB VAL 18 HB VAL 18 -5.340 -6.059 -8.129 279 1HG1 VAL 18 1HG1 VAL 18 -3.190 -6.488 -10.215 280 2HG1 VAL 18 2HG1 VAL 18 -2.954 -6.626 -8.471 281 3HG1 VAL 18 3HG1 VAL 18 -4.022 -7.754 -9.308 282 1HG2 VAL 18 1HG2 VAL 18 -5.156 -3.668 -8.954 283 2HG2 VAL 18 2HG2 VAL 18 -3.780 -4.238 -8.011 284 3HG2 VAL 18 3HG2 VAL 18 -3.666 -4.148 -9.767 285 H CYS 19 H CYS 19 -7.148 -3.881 -9.441 286 HA CYS 19 HA CYS 19 -9.287 -5.273 -8.066 287 1HB CYS 19 1HB CYS 19 -8.350 -2.861 -7.697 288 2HB CYS 19 2HB CYS 19 -9.442 -2.415 -9.004 289 H GLY 20 H GLY 20 -9.586 -2.958 -10.763 290 1HA GLY 20 1HA GLY 20 -11.008 -2.944 -12.618 291 2HA GLY 20 2HA GLY 20 -10.710 -4.677 -12.681 292 H GLU 21 H GLU 21 -13.180 -3.076 -13.171 293 HA GLU 21 HA GLU 21 -15.477 -3.215 -12.743 294 1HB GLU 21 1HB GLU 21 -14.316 -5.879 -12.338 295 2HB GLU 21 2HB GLU 21 -15.857 -5.647 -11.509 296 1HG GLU 21 1HG GLU 21 -15.925 -4.509 -14.182 297 2HG GLU 21 2HG GLU 21 -15.500 -6.220 -14.229 298 H ARG 22 H ARG 22 -13.506 -2.438 -10.402 299 HA ARG 22 HA ARG 22 -15.690 -2.257 -8.429 300 1HB ARG 22 1HB ARG 22 -13.019 -3.472 -7.680 301 2HB ARG 22 2HB ARG 22 -14.403 -3.234 -6.615 302 1HG ARG 22 1HG ARG 22 -15.739 -4.743 -8.092 303 2HG ARG 22 2HG ARG 22 -14.282 -5.051 -9.038 304 1HD ARG 22 1HD ARG 22 -14.515 -6.845 -7.432 305 2HD ARG 22 2HD ARG 22 -13.164 -5.834 -6.922 306 HE ARG 22 HE ARG 22 -15.322 -4.761 -5.567 307 1HH1 ARG 22 1HH1 ARG 22 -13.943 -7.904 -5.964 308 2HH1 ARG 22 2HH1 ARG 22 -14.424 -8.453 -4.394 309 1HH2 ARG 22 1HH2 ARG 22 -15.951 -5.467 -3.517 310 2HH2 ARG 22 2HH2 ARG 22 -15.557 -7.076 -3.010 311 H GLY 23 H GLY 23 -12.197 -1.649 -8.928 312 1HA GLY 23 1HA GLY 23 -11.248 0.574 -8.993 313 2HA GLY 23 2HA GLY 23 -12.682 1.178 -8.158 314 H PHE 24 H PHE 24 -10.189 1.886 -7.191 315 HA PHE 24 HA PHE 24 -10.115 0.358 -4.627 316 1HB PHE 24 1HB PHE 24 -7.559 0.949 -4.729 317 2HB PHE 24 2HB PHE 24 -8.156 -0.446 -5.630 318 HD1 PHE 24 HD1 PHE 24 -8.736 -0.172 -8.082 319 HD2 PHE 24 HD2 PHE 24 -6.597 2.812 -5.852 320 HE1 PHE 24 HE1 PHE 24 -7.963 0.857 -10.202 321 HE2 PHE 24 HE2 PHE 24 -5.824 3.842 -7.973 322 HZ PHE 24 HZ PHE 24 -6.509 2.864 -10.147 323 H PHE 25 H PHE 25 -8.616 1.771 -3.038 324 HA PHE 25 HA PHE 25 -9.707 4.545 -3.207 325 1HB PHE 25 1HB PHE 25 -9.038 4.531 -0.703 326 2HB PHE 25 2HB PHE 25 -10.439 3.570 -1.179 327 HD1 PHE 25 HD1 PHE 25 -10.282 1.115 -1.368 328 HD2 PHE 25 HD2 PHE 25 -6.963 3.483 -0.015 329 HE1 PHE 25 HE1 PHE 25 -9.172 -0.930 -0.508 330 HE2 PHE 25 HE2 PHE 25 -5.853 1.438 0.844 331 HZ PHE 25 HZ PHE 25 -6.958 -0.768 0.598 332 H TYR 26 H TYR 26 -7.736 4.679 -4.811 333 HA TYR 26 HA TYR 26 -5.271 5.324 -3.245 334 1HB TYR 26 1HB TYR 26 -4.785 3.625 -4.872 335 2HB TYR 26 2HB TYR 26 -5.651 4.501 -6.134 336 HD1 TYR 26 HD1 TYR 26 -3.281 5.829 -3.571 337 HD2 TYR 26 HD2 TYR 26 -3.986 5.013 -7.729 338 HE1 TYR 26 HE1 TYR 26 -1.199 7.040 -4.162 339 HE2 TYR 26 HE2 TYR 26 -1.904 6.223 -8.320 340 HH TYR 26 HH TYR 26 0.413 7.151 -5.962 341 H GLU 27 H GLU 27 -7.112 6.400 -6.125 342 HA GLU 27 HA GLU 27 -6.706 9.200 -5.261 343 1HB GLU 27 1HB GLU 27 -5.793 8.132 -7.951 344 2HB GLU 27 2HB GLU 27 -5.910 9.844 -7.545 345 1HG GLU 27 1HG GLU 27 -4.250 7.862 -5.967 346 2HG GLU 27 2HG GLU 27 -3.598 8.876 -7.256 347 HA PRO 28 HA PRO 28 -10.822 7.979 -7.204 348 1HB PRO 28 1HB PRO 28 -12.202 8.812 -4.885 349 2HB PRO 28 2HB PRO 28 -11.916 7.142 -5.394 350 1HG PRO 28 1HG PRO 28 -10.667 8.630 -3.212 351 2HG PRO 28 2HG PRO 28 -10.597 6.893 -3.554 352 1HD PRO 28 1HD PRO 28 -8.523 8.799 -3.951 353 2HD PRO 28 2HD PRO 28 -8.526 7.103 -4.470 354 H LYS 29 H LYS 29 -10.312 9.935 -8.486 355 HA LYS 29 HA LYS 29 -11.139 12.489 -7.199 356 1HB LYS 29 1HB LYS 29 -10.142 13.546 -9.236 357 2HB LYS 29 2HB LYS 29 -8.982 12.569 -8.335 358 1HG LYS 29 1HG LYS 29 -8.701 11.146 -10.064 359 2HG LYS 29 2HG LYS 29 -10.441 10.985 -10.302 360 1HD LYS 29 1HD LYS 29 -9.362 11.984 -12.287 361 2HD LYS 29 2HD LYS 29 -10.478 13.121 -11.531 362 1HE LYS 29 1HE LYS 29 -7.830 13.327 -10.358 363 2HE LYS 29 2HE LYS 29 -7.771 13.574 -12.104 364 1HZ LYS 29 1HZ LYS 29 -9.894 15.017 -11.536 365 2HZ LYS 29 2HZ LYS 29 -9.097 15.155 -10.042 366 3HZ LYS 29 3HZ LYS 29 -8.325 15.659 -11.470 Start of MODEL 21 1 1H GLY 1 1H GLY 1 -2.276 3.062 2.118 2 2H GLY 1 2H GLY 1 -2.317 2.149 3.549 3 3H GLY 1 3H GLY 1 -1.067 3.268 3.288 4 1HA GLY 1 1HA GLY 1 0.161 1.665 2.418 5 2HA GLY 1 2HA GLY 1 -1.199 0.548 2.535 6 H ILE 2 H ILE 2 0.056 3.206 0.515 7 HA ILE 2 HA ILE 2 -0.778 1.693 -1.886 8 HB ILE 2 HB ILE 2 -1.866 4.392 -1.084 9 1HG1 ILE 2 1HG1 ILE 2 -3.107 2.188 -0.731 10 2HG1 ILE 2 2HG1 ILE 2 -3.973 3.407 -1.664 11 1HG2 ILE 2 1HG2 ILE 2 -1.244 3.374 -3.837 12 2HG2 ILE 2 2HG2 ILE 2 -2.707 4.328 -3.591 13 3HG2 ILE 2 3HG2 ILE 2 -1.130 5.015 -3.202 14 1HD1 ILE 2 1HD1 ILE 2 -2.311 1.203 -2.910 15 2HD1 ILE 2 2HD1 ILE 2 -4.056 1.103 -2.674 16 3HD1 ILE 2 3HD1 ILE 2 -3.380 2.330 -3.746 17 H VAL 3 H VAL 3 0.533 4.858 -0.820 18 HA VAL 3 HA VAL 3 2.401 4.832 -3.106 19 HB VAL 3 HB VAL 3 1.830 6.836 -0.908 20 1HG1 VAL 3 1HG1 VAL 3 3.846 7.016 -3.170 21 2HG1 VAL 3 2HG1 VAL 3 3.428 8.323 -2.063 22 3HG1 VAL 3 3HG1 VAL 3 4.236 6.879 -1.456 23 1HG2 VAL 3 1HG2 VAL 3 1.306 6.663 -3.881 24 2HG2 VAL 3 2HG2 VAL 3 0.139 6.900 -2.581 25 3HG2 VAL 3 3HG2 VAL 3 1.247 8.199 -3.018 26 H GLU 4 H GLU 4 2.399 4.208 0.335 27 HA GLU 4 HA GLU 4 5.315 4.307 0.548 28 1HB GLU 4 1HB GLU 4 3.428 2.971 2.483 29 2HB GLU 4 2HB GLU 4 5.004 3.686 2.820 30 1HG GLU 4 1HG GLU 4 3.983 5.906 2.037 31 2HG GLU 4 2HG GLU 4 2.419 5.103 2.168 32 H GLN 5 H GLN 5 3.102 2.096 -0.714 33 HA GLN 5 HA GLN 5 4.869 -0.226 -0.114 34 1HB GLN 5 1HB GLN 5 2.127 -0.214 -1.402 35 2HB GLN 5 2HB GLN 5 3.018 -1.624 -0.830 36 1HG GLN 5 1HG GLN 5 2.745 0.432 1.231 37 2HG GLN 5 2HG GLN 5 1.186 -0.156 0.656 38 1HE2 GLN 5 2HE2 GLN 5 2.786 -0.711 3.248 39 2HE2 GLN 5 1HE2 GLN 5 2.814 -2.406 3.347 40 H CYS 6 H CYS 6 4.001 1.951 -2.674 41 HA CYS 6 HA CYS 6 5.445 0.150 -4.579 42 1HB CYS 6 1HB CYS 6 2.969 1.782 -4.902 43 2HB CYS 6 2HB CYS 6 4.052 1.648 -6.289 44 H CYS 7 H CYS 7 4.909 3.506 -3.545 45 HA CYS 7 HA CYS 7 6.955 4.488 -5.410 46 1HB CYS 7 1HB CYS 7 5.256 5.786 -3.289 47 2HB CYS 7 2HB CYS 7 6.598 6.647 -4.034 48 H HIS 8 H HIS 8 6.699 3.805 -1.927 49 HA HIS 8 HA HIS 8 9.174 4.938 -1.131 50 1HB HIS 8 1HB HIS 8 7.546 2.626 -0.089 51 2HB HIS 8 2HB HIS 8 9.097 3.040 0.641 52 HD1 HIS 8 HD1 HIS 8 6.957 3.484 2.567 53 HD2 HIS 8 HD2 HIS 8 7.781 6.360 -0.337 54 HE1 HIS 8 HE1 HIS 8 5.986 5.663 3.420 55 H SER 9 H SER 9 8.559 2.251 -3.172 56 HA SER 9 HA SER 9 11.337 1.865 -3.751 57 1HB SER 9 1HB SER 9 11.850 -0.167 -2.656 58 2HB SER 9 2HB SER 9 11.054 0.790 -1.410 59 HG SER 9 HG SER 9 10.306 -1.455 -1.739 60 H ILE 10 H ILE 10 11.142 -0.943 -4.438 61 HA ILE 10 HA ILE 10 9.379 -0.653 -6.798 62 HB ILE 10 HB ILE 10 11.421 -2.779 -6.078 63 1HG1 ILE 10 1HG1 ILE 10 12.107 -1.289 -8.396 64 2HG1 ILE 10 2HG1 ILE 10 11.641 -0.119 -7.161 65 1HG2 ILE 10 1HG2 ILE 10 9.412 -2.524 -8.231 66 2HG2 ILE 10 2HG2 ILE 10 11.044 -2.900 -8.784 67 3HG2 ILE 10 3HG2 ILE 10 10.239 -3.961 -7.628 68 1HD1 ILE 10 1HD1 ILE 10 13.330 -2.317 -6.161 69 2HD1 ILE 10 2HD1 ILE 10 14.123 -1.274 -7.342 70 3HD1 ILE 10 3HD1 ILE 10 13.449 -0.582 -5.866 71 H CYS 11 H CYS 11 7.466 -1.729 -6.981 72 HA CYS 11 HA CYS 11 6.914 -3.919 -5.018 73 1HB CYS 11 1HB CYS 11 4.596 -3.133 -4.881 74 2HB CYS 11 2HB CYS 11 5.692 -1.826 -4.438 75 H SER 12 H SER 12 4.412 -4.655 -6.059 76 HA SER 12 HA SER 12 4.780 -5.130 -8.950 77 1HB SER 12 1HB SER 12 4.296 -7.664 -8.380 78 2HB SER 12 2HB SER 12 5.945 -7.046 -8.335 79 HG SER 12 HG SER 12 5.612 -8.093 -6.422 80 H LEU 13 H LEU 13 2.868 -7.091 -6.719 81 HA LEU 13 HA LEU 13 0.432 -5.545 -7.359 82 1HB LEU 13 1HB LEU 13 0.981 -8.351 -8.311 83 2HB LEU 13 2HB LEU 13 -0.671 -7.816 -7.998 84 HG LEU 13 HG LEU 13 1.282 -6.396 -9.829 85 1HD1 LEU 13 1HD1 LEU 13 -0.702 -8.564 -10.255 86 2HD1 LEU 13 2HD1 LEU 13 -0.732 -7.249 -11.429 87 3HD1 LEU 13 3HD1 LEU 13 0.751 -8.171 -11.175 88 1HD2 LEU 13 1HD2 LEU 13 -1.049 -5.496 -8.531 89 2HD2 LEU 13 2HD2 LEU 13 -0.220 -4.712 -9.876 90 3HD2 LEU 13 3HD2 LEU 13 -1.542 -5.837 -10.190 91 H TYR 14 H TYR 14 1.919 -8.293 -5.671 92 HA TYR 14 HA TYR 14 -0.096 -9.127 -3.971 93 1HB TYR 14 1HB TYR 14 2.843 -8.856 -3.707 94 2HB TYR 14 2HB TYR 14 1.956 -8.987 -2.187 95 HD1 TYR 14 HD1 TYR 14 2.007 -10.544 -5.604 96 HD2 TYR 14 HD2 TYR 14 1.484 -11.123 -1.380 97 HE1 TYR 14 HE1 TYR 14 1.741 -12.984 -5.970 98 HE2 TYR 14 HE2 TYR 14 1.220 -13.562 -1.746 99 HH TYR 14 HH TYR 14 0.422 -14.947 -4.392 100 H GLN 15 H GLN 15 1.605 -6.048 -3.894 101 HA GLN 15 HA GLN 15 0.357 -5.277 -1.343 102 1HB GLN 15 1HB GLN 15 1.577 -3.172 -3.037 103 2HB GLN 15 2HB GLN 15 1.827 -3.525 -1.329 104 1HG GLN 15 1HG GLN 15 2.985 -5.717 -2.365 105 2HG GLN 15 2HG GLN 15 3.246 -4.610 -3.714 106 1HE2 GLN 15 2HE2 GLN 15 3.754 -4.874 -0.163 107 2HE2 GLN 15 1HE2 GLN 15 5.113 -3.857 -0.131 108 H LEU 16 H LEU 16 -0.002 -4.561 -4.800 109 HA LEU 16 HA LEU 16 -2.174 -2.662 -4.322 110 1HB LEU 16 1HB LEU 16 -1.435 -3.979 -6.943 111 2HB LEU 16 2HB LEU 16 -2.269 -2.443 -6.705 112 HG LEU 16 HG LEU 16 0.546 -2.965 -5.722 113 1HD1 LEU 16 1HD1 LEU 16 -0.262 -2.761 -8.390 114 2HD1 LEU 16 2HD1 LEU 16 0.278 -1.135 -7.974 115 3HD1 LEU 16 3HD1 LEU 16 1.369 -2.505 -7.773 116 1HD2 LEU 16 1HD2 LEU 16 -1.388 -0.861 -5.372 117 2HD2 LEU 16 2HD2 LEU 16 0.239 -0.980 -4.701 118 3HD2 LEU 16 3HD2 LEU 16 -0.012 -0.235 -6.279 119 H GLU 17 H GLU 17 -2.075 -5.887 -3.918 120 HA GLU 17 HA GLU 17 -4.617 -6.519 -5.284 121 1HB GLU 17 1HB GLU 17 -2.415 -8.044 -4.681 122 2HB GLU 17 2HB GLU 17 -3.522 -8.484 -3.379 123 1HG GLU 17 1HG GLU 17 -4.908 -8.342 -5.932 124 2HG GLU 17 2HG GLU 17 -3.560 -9.478 -5.998 125 H ASN 18 H ASN 18 -3.470 -5.534 -2.163 126 HA ASN 18 HA ASN 18 -5.892 -6.452 -0.767 127 1HB ASN 18 1HB ASN 18 -4.172 -4.455 0.570 128 2HB ASN 18 2HB ASN 18 -4.764 -6.005 1.163 129 1HD2 ASN 18 2HD2 ASN 18 -3.607 -7.993 0.225 130 2HD2 ASN 18 1HD2 ASN 18 -1.957 -7.847 -0.144 131 H TYR 19 H TYR 19 -5.132 -3.876 -2.771 132 HA TYR 19 HA TYR 19 -6.933 -1.981 -1.364 133 1HB TYR 19 1HB TYR 19 -5.531 -1.457 -3.979 134 2HB TYR 19 2HB TYR 19 -6.043 -0.298 -2.753 135 HD1 TYR 19 HD1 TYR 19 -5.047 -2.090 -0.387 136 HD2 TYR 19 HD2 TYR 19 -3.213 -0.680 -4.005 137 HE1 TYR 19 HE1 TYR 19 -2.816 -2.240 0.686 138 HE2 TYR 19 HE2 TYR 19 -0.984 -0.830 -2.935 139 HH TYR 19 HH TYR 19 -0.642 -1.828 0.471 140 H CYS 20 H CYS 20 -7.364 -4.538 -3.334 141 HA CYS 20 HA CYS 20 -9.215 -3.308 -5.262 142 1HB CYS 20 1HB CYS 20 -7.967 -5.221 -6.044 143 2HB CYS 20 2HB CYS 20 -8.482 -6.186 -4.661 144 H ASN 21 H ASN 21 -10.878 -2.418 -3.969 145 HA ASN 21 HA ASN 21 -12.171 -3.838 -1.832 146 1HB ASN 21 1HB ASN 21 -13.820 -2.091 -1.896 147 2HB ASN 21 2HB ASN 21 -12.270 -1.337 -2.269 148 1HD2 ASN 21 2HD2 ASN 21 -12.363 0.028 -4.032 149 2HD2 ASN 21 1HD2 ASN 21 -13.424 -0.134 -5.347 150 1H GLU 1 1H GLU 1 5.057 -5.620 -17.828 151 2H GLU 1 2H GLU 1 5.764 -7.115 -17.454 152 3H GLU 1 3H GLU 1 4.083 -6.912 -17.309 153 HA GLU 1 HA GLU 1 4.268 -5.554 -15.437 154 1HB GLU 1 1HB GLU 1 5.846 -8.039 -15.543 155 2HB GLU 1 2HB GLU 1 6.291 -6.966 -14.217 156 1HG GLU 1 1HG GLU 1 3.687 -6.782 -13.872 157 2HG GLU 1 2HG GLU 1 3.661 -8.304 -14.763 158 H VAL 2 H VAL 2 5.835 -4.483 -13.848 159 HA VAL 2 HA VAL 2 8.266 -3.464 -15.249 160 HB VAL 2 HB VAL 2 7.721 -1.200 -14.228 161 1HG1 VAL 2 1HG1 VAL 2 6.604 -2.522 -16.549 162 2HG1 VAL 2 2HG1 VAL 2 5.493 -1.291 -15.951 163 3HG1 VAL 2 3HG1 VAL 2 7.148 -0.853 -16.378 164 1HG2 VAL 2 1HG2 VAL 2 5.995 -2.302 -12.647 165 2HG2 VAL 2 2HG2 VAL 2 5.540 -0.773 -13.399 166 3HG2 VAL 2 3HG2 VAL 2 4.909 -2.291 -14.038 167 H ASN 3 H ASN 3 9.808 -2.429 -13.664 168 HA ASN 3 HA ASN 3 9.449 -3.381 -10.870 169 1HB ASN 3 1HB ASN 3 10.796 -5.025 -12.385 170 2HB ASN 3 2HB ASN 3 12.074 -3.813 -12.282 171 1HD2 ASN 3 2HD2 ASN 3 13.498 -4.233 -10.599 172 2HD2 ASN 3 1HD2 ASN 3 13.084 -4.969 -9.126 173 H GLN 4 H GLN 4 9.133 -0.992 -10.651 174 HA GLN 4 HA GLN 4 11.604 0.291 -9.849 175 1HB GLN 4 1HB GLN 4 11.144 0.539 -12.525 176 2HB GLN 4 2HB GLN 4 10.280 1.949 -11.913 177 1HG GLN 4 1HG GLN 4 12.500 2.234 -10.466 178 2HG GLN 4 2HG GLN 4 13.200 1.320 -11.803 179 1HE2 GLN 4 2HE2 GLN 4 13.280 4.338 -10.974 180 2HE2 GLN 4 1HE2 GLN 4 12.925 5.143 -12.425 181 H HIS 5 H HIS 5 11.083 2.672 -9.219 182 HA HIS 5 HA HIS 5 8.867 2.650 -7.424 183 1HB HIS 5 1HB HIS 5 10.415 5.021 -8.499 184 2HB HIS 5 2HB HIS 5 9.407 5.012 -7.048 185 HD1 HIS 5 HD1 HIS 5 12.815 4.475 -8.109 186 HD2 HIS 5 HD2 HIS 5 10.380 2.891 -5.125 187 HE1 HIS 5 HE1 HIS 5 14.352 3.349 -6.450 188 H LEU 6 H LEU 6 6.785 2.561 -8.201 189 HA LEU 6 HA LEU 6 6.075 3.987 -10.682 190 1HB LEU 6 1HB LEU 6 4.746 1.992 -8.893 191 2HB LEU 6 2HB LEU 6 3.713 3.045 -9.862 192 HG LEU 6 HG LEU 6 5.135 2.394 -11.868 193 1HD1 LEU 6 1HD1 LEU 6 6.326 0.705 -9.721 194 2HD1 LEU 6 2HD1 LEU 6 6.114 -0.042 -11.305 195 3HD1 LEU 6 3HD1 LEU 6 7.089 1.418 -11.143 196 1HD2 LEU 6 1HD2 LEU 6 2.886 1.445 -11.426 197 2HD2 LEU 6 2HD2 LEU 6 3.954 0.256 -12.174 198 3HD2 LEU 6 3HD2 LEU 6 3.624 0.180 -10.443 199 H CYS 7 H CYS 7 6.324 6.190 -9.990 200 HA CYS 7 HA CYS 7 4.148 7.090 -8.151 201 1HB CYS 7 1HB CYS 7 6.939 7.304 -7.714 202 2HB CYS 7 2HB CYS 7 6.371 8.922 -8.124 203 H GLY 8 H GLY 8 2.773 8.375 -9.269 204 1HA GLY 8 1HA GLY 8 2.626 10.607 -10.444 205 2HA GLY 8 2HA GLY 8 3.894 10.006 -11.514 206 H SER 9 H SER 9 0.905 8.502 -10.275 207 HA SER 9 HA SER 9 -1.019 7.816 -11.468 208 1HB SER 9 1HB SER 9 0.297 8.446 -14.093 209 2HB SER 9 2HB SER 9 -1.409 8.518 -13.657 210 HG SER 9 HG SER 9 -0.689 10.259 -12.169 211 H GLU 10 H GLU 10 2.129 7.068 -13.005 212 HA GLU 10 HA GLU 10 1.541 4.665 -14.263 213 1HB GLU 10 1HB GLU 10 3.849 3.950 -13.738 214 2HB GLU 10 2HB GLU 10 3.811 5.646 -14.218 215 1HG GLU 10 1HG GLU 10 3.591 6.148 -11.685 216 2HG GLU 10 2HG GLU 10 4.135 4.487 -11.452 217 H LEU 11 H LEU 11 1.596 5.347 -10.841 218 HA LEU 11 HA LEU 11 1.671 2.613 -9.928 219 1HB LEU 11 1HB LEU 11 2.124 4.668 -8.512 220 2HB LEU 11 2HB LEU 11 0.388 4.977 -8.529 221 HG LEU 11 HG LEU 11 1.253 3.685 -6.511 222 1HD1 LEU 11 1HD1 LEU 11 -1.111 3.486 -7.953 223 2HD1 LEU 11 2HD1 LEU 11 -0.632 1.805 -7.726 224 3HD1 LEU 11 3HD1 LEU 11 -0.843 2.857 -6.327 225 1HD2 LEU 11 1HD2 LEU 11 2.820 2.278 -7.941 226 2HD2 LEU 11 2HD2 LEU 11 1.832 1.370 -6.797 227 3HD2 LEU 11 3HD2 LEU 11 1.394 1.408 -8.505 228 H VAL 12 H VAL 12 -1.019 4.924 -10.397 229 HA VAL 12 HA VAL 12 -3.115 3.142 -9.715 230 HB VAL 12 HB VAL 12 -3.217 5.681 -10.191 231 1HG1 VAL 12 1HG1 VAL 12 -2.420 4.902 -12.703 232 2HG1 VAL 12 2HG1 VAL 12 -4.161 5.081 -12.914 233 3HG1 VAL 12 3HG1 VAL 12 -3.200 6.439 -12.331 234 1HG2 VAL 12 1HG2 VAL 12 -5.173 3.551 -10.557 235 2HG2 VAL 12 2HG2 VAL 12 -5.360 5.111 -9.756 236 3HG2 VAL 12 3HG2 VAL 12 -5.586 4.982 -11.500 237 H GLU 13 H GLU 13 -1.191 3.420 -12.624 238 HA GLU 13 HA GLU 13 -2.892 2.021 -14.429 239 1HB GLU 13 1HB GLU 13 -0.397 3.166 -14.594 240 2HB GLU 13 2HB GLU 13 -0.015 1.448 -14.706 241 1HG GLU 13 1HG GLU 13 -0.470 1.835 -16.927 242 2HG GLU 13 2HG GLU 13 -2.114 1.503 -16.380 243 H ALA 14 H ALA 14 -0.651 0.874 -11.949 244 HA ALA 14 HA ALA 14 -1.109 -1.937 -12.742 245 1HB ALA 14 1HB ALA 14 1.063 -0.719 -11.657 246 2HB ALA 14 2HB ALA 14 0.282 -1.321 -10.193 247 3HB ALA 14 3HB ALA 14 0.731 -2.443 -11.479 248 H LEU 15 H LEU 15 -2.306 0.410 -10.488 249 HA LEU 15 HA LEU 15 -3.336 -1.353 -8.483 250 1HB LEU 15 1HB LEU 15 -3.678 1.452 -9.276 251 2HB LEU 15 2HB LEU 15 -5.134 0.743 -8.585 252 HG LEU 15 HG LEU 15 -2.396 0.583 -7.301 253 1HD1 LEU 15 1HD1 LEU 15 -4.696 2.503 -6.941 254 2HD1 LEU 15 2HD1 LEU 15 -3.545 2.194 -5.640 255 3HD1 LEU 15 3HD1 LEU 15 -2.986 2.871 -7.170 256 1HD2 LEU 15 1HD2 LEU 15 -4.978 -0.673 -6.817 257 2HD2 LEU 15 2HD2 LEU 15 -3.417 -1.013 -6.070 258 3HD2 LEU 15 3HD2 LEU 15 -4.447 0.261 -5.419 259 H GLU 16 H GLU 16 -4.493 -0.416 -11.661 260 HA GLU 16 HA GLU 16 -7.116 -1.687 -11.224 261 1HB GLU 16 1HB GLU 16 -7.609 -0.987 -13.501 262 2HB GLU 16 2HB GLU 16 -6.860 0.362 -12.648 263 1HG GLU 16 1HG GLU 16 -4.716 -0.099 -13.673 264 2HG GLU 16 2HG GLU 16 -5.333 -1.583 -14.399 265 H LEU 17 H LEU 17 -3.993 -2.672 -12.079 266 HA LEU 17 HA LEU 17 -4.816 -4.824 -13.895 267 1HB LEU 17 1HB LEU 17 -2.276 -3.730 -12.851 268 2HB LEU 17 2HB LEU 17 -2.277 -5.474 -13.117 269 HG LEU 17 HG LEU 17 -1.559 -4.260 -15.148 270 1HD1 LEU 17 1HD1 LEU 17 -3.172 -6.379 -15.057 271 2HD1 LEU 17 2HD1 LEU 17 -4.300 -5.254 -15.817 272 3HD1 LEU 17 3HD1 LEU 17 -2.757 -5.614 -16.592 273 1HD2 LEU 17 1HD2 LEU 17 -3.523 -2.440 -14.385 274 2HD2 LEU 17 2HD2 LEU 17 -2.650 -2.430 -15.917 275 3HD2 LEU 17 3HD2 LEU 17 -4.218 -3.229 -15.802 276 H VAL 18 H VAL 18 -4.668 -4.319 -10.526 277 HA VAL 18 HA VAL 18 -4.506 -7.232 -9.964 278 HB VAL 18 HB VAL 18 -4.915 -5.872 -7.543 279 1HG1 VAL 18 1HG1 VAL 18 -2.535 -7.040 -8.969 280 2HG1 VAL 18 2HG1 VAL 18 -2.359 -6.325 -7.366 281 3HG1 VAL 18 3HG1 VAL 18 -3.438 -7.699 -7.605 282 1HG2 VAL 18 1HG2 VAL 18 -4.443 -3.743 -8.768 283 2HG2 VAL 18 2HG2 VAL 18 -3.232 -4.100 -7.537 284 3HG2 VAL 18 3HG2 VAL 18 -2.874 -4.397 -9.239 285 H CYS 19 H CYS 19 -6.637 -4.428 -9.406 286 HA CYS 19 HA CYS 19 -8.807 -6.234 -8.537 287 1HB CYS 19 1HB CYS 19 -8.268 -3.876 -7.566 288 2HB CYS 19 2HB CYS 19 -9.080 -3.270 -9.008 289 H GLY 20 H GLY 20 -8.553 -3.591 -10.928 290 1HA GLY 20 1HA GLY 20 -9.839 -3.263 -12.895 291 2HA GLY 20 2HA GLY 20 -9.100 -4.811 -13.295 292 H GLU 21 H GLU 21 -11.725 -3.827 -11.054 293 HA GLU 21 HA GLU 21 -13.859 -4.949 -12.523 294 1HB GLU 21 1HB GLU 21 -12.205 -6.989 -11.785 295 2HB GLU 21 2HB GLU 21 -13.303 -6.939 -10.406 296 1HG GLU 21 1HG GLU 21 -14.833 -6.646 -12.818 297 2HG GLU 21 2HG GLU 21 -13.793 -8.062 -12.968 298 H ARG 22 H ARG 22 -12.707 -5.199 -9.135 299 HA ARG 22 HA ARG 22 -15.335 -4.173 -8.229 300 1HB ARG 22 1HB ARG 22 -12.933 -5.118 -6.632 301 2HB ARG 22 2HB ARG 22 -14.521 -4.726 -5.971 302 1HG ARG 22 1HG ARG 22 -14.763 -6.592 -8.177 303 2HG ARG 22 2HG ARG 22 -13.678 -7.224 -6.939 304 1HD ARG 22 1HD ARG 22 -15.454 -7.733 -5.659 305 2HD ARG 22 2HD ARG 22 -15.883 -6.023 -5.597 306 HE ARG 22 HE ARG 22 -16.862 -6.854 -8.047 307 1HH1 ARG 22 1HH1 ARG 22 -17.131 -7.909 -4.770 308 2HH1 ARG 22 2HH1 ARG 22 -18.733 -8.537 -4.968 309 1HH2 ARG 22 1HH2 ARG 22 -18.948 -7.670 -8.317 310 2HH2 ARG 22 2HH2 ARG 22 -19.761 -8.401 -6.974 311 H GLY 23 H GLY 23 -12.356 -2.909 -9.124 312 1HA GLY 23 1HA GLY 23 -11.649 -0.654 -9.036 313 2HA GLY 23 2HA GLY 23 -13.052 -0.292 -8.027 314 H PHE 24 H PHE 24 -10.337 0.603 -7.530 315 HA PHE 24 HA PHE 24 -9.842 -0.819 -4.945 316 1HB PHE 24 1HB PHE 24 -7.419 0.174 -5.374 317 2HB PHE 24 2HB PHE 24 -7.903 -1.354 -6.113 318 HD1 PHE 24 HD1 PHE 24 -8.850 -1.322 -8.476 319 HD2 PHE 24 HD2 PHE 24 -6.861 2.055 -6.716 320 HE1 PHE 24 HE1 PHE 24 -8.501 -0.353 -10.732 321 HE2 PHE 24 HE2 PHE 24 -6.509 3.023 -8.976 322 HZ PHE 24 HZ PHE 24 -7.330 1.819 -10.980 323 H PHE 25 H PHE 25 -8.085 0.940 -3.780 324 HA PHE 25 HA PHE 25 -9.729 3.432 -3.608 325 1HB PHE 25 1HB PHE 25 -8.849 1.629 -1.598 326 2HB PHE 25 2HB PHE 25 -7.939 3.125 -1.378 327 HD1 PHE 25 HD1 PHE 25 -9.388 5.346 -1.652 328 HD2 PHE 25 HD2 PHE 25 -10.970 1.482 -0.635 329 HE1 PHE 25 HE1 PHE 25 -11.394 6.425 -0.669 330 HE2 PHE 25 HE2 PHE 25 -12.975 2.563 0.345 331 HZ PHE 25 HZ PHE 25 -13.188 5.033 0.329 332 H TYR 26 H TYR 26 -8.681 5.419 -3.738 333 HA TYR 26 HA TYR 26 -5.886 5.853 -3.485 334 1HB TYR 26 1HB TYR 26 -6.169 4.369 -5.667 335 2HB TYR 26 2HB TYR 26 -6.606 5.913 -6.395 336 HD1 TYR 26 HD1 TYR 26 -4.660 7.165 -3.997 337 HD2 TYR 26 HD2 TYR 26 -4.225 4.547 -7.377 338 HE1 TYR 26 HE1 TYR 26 -2.263 7.772 -4.160 339 HE2 TYR 26 HE2 TYR 26 -1.827 5.156 -7.537 340 HH TYR 26 HH TYR 26 -0.496 7.798 -6.012 341 H GLU 27 H GLU 27 -5.892 7.744 -5.870 342 HA GLU 27 HA GLU 27 -8.115 9.559 -5.457 343 1HB GLU 27 1HB GLU 27 -6.327 11.378 -4.643 344 2HB GLU 27 2HB GLU 27 -7.219 10.380 -3.494 345 1HG GLU 27 1HG GLU 27 -4.765 9.122 -4.543 346 2HG GLU 27 2HG GLU 27 -4.485 10.570 -3.575 347 HA PRO 28 HA PRO 28 -6.827 11.064 -9.353 348 1HB PRO 28 1HB PRO 28 -7.343 13.825 -8.829 349 2HB PRO 28 2HB PRO 28 -8.411 12.666 -9.631 350 1HG PRO 28 1HG PRO 28 -8.667 13.798 -6.978 351 2HG PRO 28 2HG PRO 28 -9.789 12.724 -7.825 352 1HD PRO 28 1HD PRO 28 -8.076 12.067 -5.628 353 2HD PRO 28 2HD PRO 28 -9.133 10.973 -6.537 354 H LYS 29 H LYS 29 -6.026 13.742 -7.117 355 HA LYS 29 HA LYS 29 -3.305 13.808 -8.306 356 1HB LYS 29 1HB LYS 29 -3.119 16.024 -7.327 357 2HB LYS 29 2HB LYS 29 -4.665 15.915 -8.170 358 1HG LYS 29 1HG LYS 29 -5.465 15.058 -5.756 359 2HG LYS 29 2HG LYS 29 -4.108 16.063 -5.245 360 1HD LYS 29 1HD LYS 29 -5.227 17.761 -6.997 361 2HD LYS 29 2HD LYS 29 -6.672 16.856 -6.542 362 1HE LYS 29 1HE LYS 29 -6.707 18.431 -4.862 363 2HE LYS 29 2HE LYS 29 -5.662 17.239 -4.089 364 1HZ LYS 29 1HZ LYS 29 -4.194 18.980 -5.802 365 2HZ LYS 29 2HZ LYS 29 -5.041 19.854 -4.621 366 3HZ LYS 29 3HZ LYS 29 -3.956 18.632 -4.156 Start of MODEL 22 1 1H GLY 1 1H GLY 1 -1.596 1.591 1.689 2 2H GLY 1 2H GLY 1 -0.537 1.326 2.991 3 3H GLY 1 3H GLY 1 -1.667 2.592 3.055 4 1HA GLY 1 1HA GLY 1 -0.488 3.940 1.665 5 2HA GLY 1 2HA GLY 1 0.818 3.063 2.461 6 H ILE 2 H ILE 2 -0.696 3.714 -0.538 7 HA ILE 2 HA ILE 2 0.580 1.412 -1.895 8 HB ILE 2 HB ILE 2 -0.766 3.633 -3.381 9 1HG1 ILE 2 1HG1 ILE 2 -2.163 1.551 -1.670 10 2HG1 ILE 2 2HG1 ILE 2 -2.279 3.302 -1.505 11 1HG2 ILE 2 1HG2 ILE 2 -0.602 0.617 -3.591 12 2HG2 ILE 2 2HG2 ILE 2 -1.617 1.607 -4.638 13 3HG2 ILE 2 3HG2 ILE 2 0.134 1.807 -4.665 14 1HD1 ILE 2 1HD1 ILE 2 -2.907 2.443 -4.216 15 2HD1 ILE 2 2HD1 ILE 2 -3.963 1.676 -3.031 16 3HD1 ILE 2 3HD1 ILE 2 -3.859 3.433 -3.110 17 H VAL 3 H VAL 3 1.110 4.790 -1.292 18 HA VAL 3 HA VAL 3 3.137 4.998 -3.428 19 HB VAL 3 HB VAL 3 1.993 6.921 -1.389 20 1HG1 VAL 3 1HG1 VAL 3 4.470 7.296 -1.670 21 2HG1 VAL 3 2HG1 VAL 3 4.176 7.561 -3.388 22 3HG1 VAL 3 3HG1 VAL 3 3.472 8.648 -2.195 23 1HG2 VAL 3 1HG2 VAL 3 1.315 6.185 -4.029 24 2HG2 VAL 3 2HG2 VAL 3 0.663 7.534 -3.098 25 3HG2 VAL 3 3HG2 VAL 3 2.057 7.781 -4.150 26 H GLU 4 H GLU 4 2.992 3.947 -0.224 27 HA GLU 4 HA GLU 4 5.794 4.717 0.372 28 1HB GLU 4 1HB GLU 4 3.503 4.199 1.944 29 2HB GLU 4 2HB GLU 4 4.640 2.898 2.290 30 1HG GLU 4 1HG GLU 4 6.405 4.805 2.457 31 2HG GLU 4 2HG GLU 4 5.006 5.859 2.663 32 H GLN 5 H GLN 5 3.839 1.947 -0.516 33 HA GLN 5 HA GLN 5 6.186 0.152 -0.247 34 1HB GLN 5 1HB GLN 5 3.248 -0.312 -0.762 35 2HB GLN 5 2HB GLN 5 4.440 -1.593 -0.987 36 1HG GLN 5 1HG GLN 5 5.053 -0.433 1.504 37 2HG GLN 5 2HG GLN 5 3.297 -0.584 1.475 38 1HE2 GLN 5 1HE2 GLN 5 6.327 -2.423 1.341 39 2HE2 GLN 5 2HE2 GLN 5 5.617 -3.946 1.577 40 H CYS 6 H CYS 6 4.403 1.893 -2.704 41 HA CYS 6 HA CYS 6 5.863 0.309 -4.783 42 1HB CYS 6 1HB CYS 6 3.316 1.934 -4.961 43 2HB CYS 6 2HB CYS 6 4.118 1.189 -6.347 44 H CYS 7 H CYS 7 4.738 3.632 -4.047 45 HA CYS 7 HA CYS 7 6.485 4.829 -6.016 46 1HB CYS 7 1HB CYS 7 4.776 5.824 -3.783 47 2HB CYS 7 2HB CYS 7 6.014 6.898 -4.429 48 H HIS 8 H HIS 8 6.738 4.145 -2.550 49 HA HIS 8 HA HIS 8 9.451 5.344 -2.500 50 1HB HIS 8 1HB HIS 8 7.767 4.122 -0.293 51 2HB HIS 8 2HB HIS 8 9.339 4.887 -0.063 52 HD1 HIS 8 HD1 HIS 8 7.612 6.446 1.512 53 HD2 HIS 8 HD2 HIS 8 7.473 6.949 -2.623 54 HE1 HIS 8 HE1 HIS 8 6.513 8.691 1.100 55 H SER 9 H SER 9 8.550 2.667 -3.817 56 HA SER 9 HA SER 9 10.951 1.231 -3.506 57 1HB SER 9 1HB SER 9 9.891 -0.726 -2.117 58 2HB SER 9 2HB SER 9 10.566 0.663 -1.272 59 HG SER 9 HG SER 9 8.563 0.413 -0.435 60 H ILE 10 H ILE 10 10.835 -0.919 -4.563 61 HA ILE 10 HA ILE 10 8.730 -0.938 -6.616 62 HB ILE 10 HB ILE 10 10.874 -3.034 -6.254 63 1HG1 ILE 10 1HG1 ILE 10 11.606 -0.964 -8.126 64 2HG1 ILE 10 2HG1 ILE 10 11.317 -0.251 -6.539 65 1HG2 ILE 10 1HG2 ILE 10 8.952 -2.202 -8.332 66 2HG2 ILE 10 2HG2 ILE 10 10.592 -2.469 -8.925 67 3HG2 ILE 10 3HG2 ILE 10 9.738 -3.762 -8.084 68 1HD1 ILE 10 1HD1 ILE 10 12.925 -2.773 -6.713 69 2HD1 ILE 10 2HD1 ILE 10 13.693 -1.245 -7.143 70 3HD1 ILE 10 3HD1 ILE 10 13.017 -1.468 -5.530 71 H CYS 11 H CYS 11 6.859 -1.503 -5.400 72 HA CYS 11 HA CYS 11 6.757 -3.793 -3.651 73 1HB CYS 11 1HB CYS 11 4.249 -3.540 -3.981 74 2HB CYS 11 2HB CYS 11 5.072 -2.092 -3.400 75 H SER 12 H SER 12 4.650 -5.343 -4.475 76 HA SER 12 HA SER 12 5.711 -6.573 -6.987 77 1HB SER 12 1HB SER 12 4.329 -8.596 -5.933 78 2HB SER 12 2HB SER 12 5.985 -8.261 -5.433 79 HG SER 12 HG SER 12 5.141 -7.069 -3.690 80 H LEU 13 H LEU 13 2.634 -7.084 -5.285 81 HA LEU 13 HA LEU 13 0.988 -5.536 -7.009 82 1HB LEU 13 1HB LEU 13 1.908 -8.066 -8.127 83 2HB LEU 13 2HB LEU 13 0.149 -8.005 -8.012 84 HG LEU 13 HG LEU 13 1.586 -5.598 -9.062 85 1HD1 LEU 13 1HD1 LEU 13 1.333 -8.260 -10.421 86 2HD1 LEU 13 2HD1 LEU 13 1.146 -6.792 -11.381 87 3HD1 LEU 13 3HD1 LEU 13 2.646 -7.085 -10.503 88 1HD2 LEU 13 1HD2 LEU 13 -1.039 -6.217 -8.644 89 2HD2 LEU 13 2HD2 LEU 13 -0.490 -5.051 -9.850 90 3HD2 LEU 13 3HD2 LEU 13 -0.852 -6.712 -10.326 91 H TYR 14 H TYR 14 1.349 -8.443 -5.044 92 HA TYR 14 HA TYR 14 -1.430 -8.797 -4.424 93 1HB TYR 14 1HB TYR 14 1.138 -9.831 -3.472 94 2HB TYR 14 2HB TYR 14 -0.040 -9.645 -2.173 95 HD1 TYR 14 HD1 TYR 14 -2.301 -10.731 -2.377 96 HD2 TYR 14 HD2 TYR 14 0.892 -11.525 -5.138 97 HE1 TYR 14 HE1 TYR 14 -3.476 -12.776 -3.149 98 HE2 TYR 14 HE2 TYR 14 -0.282 -13.570 -5.908 99 HH TYR 14 HH TYR 14 -3.389 -14.171 -5.493 100 H GLN 15 H GLN 15 1.050 -6.640 -3.216 101 HA GLN 15 HA GLN 15 -0.258 -5.866 -0.781 102 1HB GLN 15 1HB GLN 15 1.408 -3.946 -2.391 103 2HB GLN 15 2HB GLN 15 1.352 -4.173 -0.643 104 1HG GLN 15 1HG GLN 15 2.178 -6.645 -1.457 105 2HG GLN 15 2HG GLN 15 2.931 -5.618 -2.679 106 1HE2 GLN 15 2HE2 GLN 15 4.657 -4.225 -2.018 107 2HE2 GLN 15 1HE2 GLN 15 5.287 -4.224 -0.442 108 H LEU 16 H LEU 16 -0.795 -5.084 -4.122 109 HA LEU 16 HA LEU 16 -2.460 -2.737 -3.454 110 1HB LEU 16 1HB LEU 16 -2.237 -4.002 -6.181 111 2HB LEU 16 2HB LEU 16 -2.538 -2.313 -5.770 112 HG LEU 16 HG LEU 16 0.052 -3.755 -5.146 113 1HD1 LEU 16 1HD1 LEU 16 -0.704 -3.293 -7.662 114 2HD1 LEU 16 2HD1 LEU 16 -0.169 -1.660 -7.270 115 3HD1 LEU 16 3HD1 LEU 16 0.957 -3.011 -7.141 116 1HD2 LEU 16 1HD2 LEU 16 -1.049 -1.011 -4.743 117 2HD2 LEU 16 2HD2 LEU 16 0.067 -1.932 -3.734 118 3HD2 LEU 16 3HD2 LEU 16 0.651 -1.135 -5.196 119 H GLU 17 H GLU 17 -2.822 -6.102 -3.705 120 HA GLU 17 HA GLU 17 -5.453 -6.282 -4.822 121 1HB GLU 17 1HB GLU 17 -3.571 -8.089 -3.869 122 2HB GLU 17 2HB GLU 17 -4.894 -8.236 -2.712 123 1HG GLU 17 1HG GLU 17 -6.324 -8.198 -4.999 124 2HG GLU 17 2HG GLU 17 -4.828 -8.906 -5.610 125 H ASN 18 H ASN 18 -4.383 -4.881 -1.933 126 HA ASN 18 HA ASN 18 -6.836 -5.435 -0.402 127 1HB ASN 18 1HB ASN 18 -5.101 -3.217 0.495 128 2HB ASN 18 2HB ASN 18 -5.709 -4.605 1.398 129 1HD2 ASN 18 2HD2 ASN 18 -4.662 -6.748 -0.092 130 2HD2 ASN 18 1HD2 ASN 18 -2.966 -6.695 -0.052 131 H TYR 19 H TYR 19 -5.518 -2.922 -2.461 132 HA TYR 19 HA TYR 19 -7.660 -1.028 -1.751 133 1HB TYR 19 1HB TYR 19 -5.803 -0.679 -4.082 134 2HB TYR 19 2HB TYR 19 -6.456 0.544 -2.989 135 HD1 TYR 19 HD1 TYR 19 -5.889 -0.522 -0.342 136 HD2 TYR 19 HD2 TYR 19 -3.469 -0.614 -3.888 137 HE1 TYR 19 HE1 TYR 19 -3.849 -0.708 1.054 138 HE2 TYR 19 HE2 TYR 19 -1.429 -0.803 -2.493 139 HH TYR 19 HH TYR 19 -1.629 -1.232 1.001 140 H CYS 20 H CYS 20 -8.755 -3.387 -2.695 141 HA CYS 20 HA CYS 20 -9.531 -2.725 -5.505 142 1HB CYS 20 1HB CYS 20 -8.554 -4.925 -5.394 143 2HB CYS 20 2HB CYS 20 -9.544 -5.354 -4.000 144 H ASN 21 H ASN 21 -11.303 -1.392 -5.204 145 HA ASN 21 HA ASN 21 -13.378 -2.183 -3.249 146 1HB ASN 21 1HB ASN 21 -13.004 0.145 -3.187 147 2HB ASN 21 2HB ASN 21 -12.877 0.265 -4.940 148 1HD2 ASN 21 2HD2 ASN 21 -14.736 0.836 -6.054 149 2HD2 ASN 21 1HD2 ASN 21 -16.299 0.863 -5.387 150 1H GLU 1 1H GLU 1 10.763 1.273 -17.018 151 2H GLU 1 2H GLU 1 9.886 2.358 -17.988 152 3H GLU 1 3H GLU 1 9.758 2.438 -16.299 153 HA GLU 1 HA GLU 1 8.001 1.116 -16.404 154 1HB GLU 1 1HB GLU 1 8.257 1.846 -18.990 155 2HB GLU 1 2HB GLU 1 8.506 0.108 -19.157 156 1HG GLU 1 1HG GLU 1 6.258 -0.095 -19.118 157 2HG GLU 1 2HG GLU 1 6.350 0.308 -17.403 158 H VAL 2 H VAL 2 10.573 0.096 -15.557 159 HA VAL 2 HA VAL 2 10.021 -2.798 -15.930 160 HB VAL 2 HB VAL 2 12.400 -3.277 -16.305 161 1HG1 VAL 2 1HG1 VAL 2 10.645 -2.250 -18.142 162 2HG1 VAL 2 2HG1 VAL 2 12.023 -1.166 -18.332 163 3HG1 VAL 2 3HG1 VAL 2 12.233 -2.905 -18.543 164 1HG2 VAL 2 1HG2 VAL 2 12.651 -0.531 -15.424 165 2HG2 VAL 2 2HG2 VAL 2 13.912 -1.747 -15.625 166 3HG2 VAL 2 3HG2 VAL 2 13.435 -0.739 -16.990 167 H ASN 3 H ASN 3 12.746 -3.149 -14.484 168 HA ASN 3 HA ASN 3 11.700 -3.326 -11.835 169 1HB ASN 3 1HB ASN 3 14.620 -3.118 -12.619 170 2HB ASN 3 2HB ASN 3 13.962 -3.861 -11.161 171 1HD2 ASN 3 2HD2 ASN 3 14.467 -4.321 -14.622 172 2HD2 ASN 3 1HD2 ASN 3 13.961 -5.940 -14.666 173 H GLN 4 H GLN 4 10.888 -1.369 -11.049 174 HA GLN 4 HA GLN 4 12.770 0.494 -9.929 175 1HB GLN 4 1HB GLN 4 12.371 1.003 -12.587 176 2HB GLN 4 2HB GLN 4 11.107 1.993 -11.856 177 1HG GLN 4 1HG GLN 4 12.932 2.836 -10.252 178 2HG GLN 4 2HG GLN 4 14.086 2.118 -11.375 179 1HE2 GLN 4 2HE2 GLN 4 12.835 5.046 -10.677 180 2HE2 GLN 4 1HE2 GLN 4 12.774 5.739 -12.225 181 H HIS 5 H HIS 5 11.572 2.375 -8.912 182 HA HIS 5 HA HIS 5 9.358 1.444 -7.420 183 1HB HIS 5 1HB HIS 5 9.857 4.371 -7.906 184 2HB HIS 5 2HB HIS 5 9.294 3.577 -6.433 185 HD1 HIS 5 HD1 HIS 5 12.388 4.285 -8.420 186 HD2 HIS 5 HD2 HIS 5 11.349 2.328 -4.899 187 HE1 HIS 5 HE1 HIS 5 14.546 3.739 -7.239 188 H LEU 6 H LEU 6 7.330 1.038 -8.233 189 HA LEU 6 HA LEU 6 6.411 2.205 -10.722 190 1HB LEU 6 1HB LEU 6 5.402 0.263 -8.757 191 2HB LEU 6 2HB LEU 6 4.140 1.266 -9.465 192 HG LEU 6 HG LEU 6 5.387 0.705 -11.716 193 1HD1 LEU 6 1HD1 LEU 6 6.416 -1.280 -9.734 194 2HD1 LEU 6 2HD1 LEU 6 6.028 -1.862 -11.354 195 3HD1 LEU 6 3HD1 LEU 6 7.220 -0.582 -11.139 196 1HD2 LEU 6 1HD2 LEU 6 3.036 0.043 -10.862 197 2HD2 LEU 6 2HD2 LEU 6 3.755 -0.977 -12.108 198 3HD2 LEU 6 3HD2 LEU 6 3.773 -1.498 -10.424 199 H CYS 7 H CYS 7 6.609 4.526 -10.227 200 HA CYS 7 HA CYS 7 4.424 5.491 -8.420 201 1HB CYS 7 1HB CYS 7 6.953 5.939 -7.845 202 2HB CYS 7 2HB CYS 7 6.812 7.184 -9.086 203 H GLY 8 H GLY 8 3.336 7.450 -9.113 204 1HA GLY 8 1HA GLY 8 2.789 9.141 -10.740 205 2HA GLY 8 2HA GLY 8 3.807 8.304 -11.914 206 H SER 9 H SER 9 2.869 6.775 -13.249 207 HA SER 9 HA SER 9 -0.042 6.238 -12.789 208 1HB SER 9 1HB SER 9 -0.353 6.194 -15.167 209 2HB SER 9 2HB SER 9 0.599 7.636 -14.826 210 HG SER 9 HG SER 9 1.280 5.304 -16.143 211 H GLU 10 H GLU 10 3.074 4.898 -13.771 212 HA GLU 10 HA GLU 10 2.507 2.358 -14.624 213 1HB GLU 10 1HB GLU 10 4.510 1.685 -13.046 214 2HB GLU 10 2HB GLU 10 4.776 2.775 -14.403 215 1HG GLU 10 1HG GLU 10 3.908 4.270 -12.084 216 2HG GLU 10 2HG GLU 10 5.325 3.301 -11.698 217 H LEU 11 H LEU 11 1.870 3.615 -11.409 218 HA LEU 11 HA LEU 11 1.395 0.944 -10.301 219 1HB LEU 11 1HB LEU 11 2.230 3.051 -9.033 220 2HB LEU 11 2HB LEU 11 0.532 3.530 -9.021 221 HG LEU 11 HG LEU 11 1.117 2.281 -6.967 222 1HD1 LEU 11 1HD1 LEU 11 -1.119 2.000 -8.399 223 2HD1 LEU 11 2HD1 LEU 11 -0.539 0.340 -8.524 224 3HD1 LEU 11 3HD1 LEU 11 -0.840 1.051 -6.939 225 1HD2 LEU 11 1HD2 LEU 11 2.502 0.633 -8.873 226 2HD2 LEU 11 2HD2 LEU 11 2.551 0.552 -7.116 227 3HD2 LEU 11 3HD2 LEU 11 1.333 -0.360 -8.005 228 H VAL 12 H VAL 12 -0.671 3.805 -10.948 229 HA VAL 12 HA VAL 12 -3.138 2.622 -10.323 230 HB VAL 12 HB VAL 12 -2.621 5.055 -11.042 231 1HG1 VAL 12 1HG1 VAL 12 -3.170 3.772 -13.737 232 2HG1 VAL 12 2HG1 VAL 12 -3.103 5.508 -13.433 233 3HG1 VAL 12 3HG1 VAL 12 -1.654 4.522 -13.237 234 1HG2 VAL 12 1HG2 VAL 12 -4.913 3.745 -10.676 235 2HG2 VAL 12 2HG2 VAL 12 -4.897 5.398 -11.290 236 3HG2 VAL 12 3HG2 VAL 12 -5.083 4.044 -12.405 237 H GLU 13 H GLU 13 -1.351 2.502 -13.396 238 HA GLU 13 HA GLU 13 -3.307 1.062 -14.884 239 1HB GLU 13 1HB GLU 13 -1.322 2.143 -15.905 240 2HB GLU 13 2HB GLU 13 -0.284 0.949 -15.127 241 1HG GLU 13 1HG GLU 13 -0.588 -0.362 -16.934 242 2HG GLU 13 2HG GLU 13 -2.264 -0.558 -16.419 243 H ALA 14 H ALA 14 -0.856 0.034 -12.583 244 HA ALA 14 HA ALA 14 -1.420 -2.817 -13.122 245 1HB ALA 14 1HB ALA 14 0.657 -1.288 -11.688 246 2HB ALA 14 2HB ALA 14 0.152 -2.770 -10.871 247 3HB ALA 14 3HB ALA 14 0.771 -2.840 -12.520 248 H LEU 15 H LEU 15 -2.719 -0.333 -11.252 249 HA LEU 15 HA LEU 15 -3.526 -2.030 -8.994 250 1HB LEU 15 1HB LEU 15 -3.513 0.822 -9.625 251 2HB LEU 15 2HB LEU 15 -5.044 0.310 -8.915 252 HG LEU 15 HG LEU 15 -2.344 -0.395 -7.742 253 1HD1 LEU 15 1HD1 LEU 15 -2.875 2.097 -7.786 254 2HD1 LEU 15 2HD1 LEU 15 -4.258 1.733 -6.757 255 3HD1 LEU 15 3HD1 LEU 15 -2.623 1.404 -6.184 256 1HD2 LEU 15 1HD2 LEU 15 -5.217 -0.624 -6.816 257 2HD2 LEU 15 2HD2 LEU 15 -4.044 -1.924 -7.022 258 3HD2 LEU 15 3HD2 LEU 15 -3.853 -0.763 -5.708 259 H GLU 16 H GLU 16 -4.738 -1.027 -12.079 260 HA GLU 16 HA GLU 16 -7.523 -1.710 -11.461 261 1HB GLU 16 1HB GLU 16 -7.993 -1.094 -13.726 262 2HB GLU 16 2HB GLU 16 -6.778 0.053 -13.159 263 1HG GLU 16 1HG GLU 16 -5.443 -0.564 -14.858 264 2HG GLU 16 2HG GLU 16 -5.371 -2.192 -14.182 265 H LEU 17 H LEU 17 -4.731 -3.469 -12.162 266 HA LEU 17 HA LEU 17 -6.254 -5.626 -13.532 267 1HB LEU 17 1HB LEU 17 -3.389 -4.850 -13.363 268 2HB LEU 17 2HB LEU 17 -3.730 -6.579 -13.447 269 HG LEU 17 HG LEU 17 -5.160 -4.743 -15.334 270 1HD1 LEU 17 1HD1 LEU 17 -2.319 -5.742 -15.698 271 2HD1 LEU 17 2HD1 LEU 17 -3.290 -4.946 -16.938 272 3HD1 LEU 17 3HD1 LEU 17 -2.799 -4.058 -15.494 273 1HD2 LEU 17 1HD2 LEU 17 -4.281 -7.616 -15.205 274 2HD2 LEU 17 2HD2 LEU 17 -5.878 -6.957 -15.560 275 3HD2 LEU 17 3HD2 LEU 17 -4.602 -6.875 -16.773 276 H VAL 18 H VAL 18 -4.998 -4.740 -10.458 277 HA VAL 18 HA VAL 18 -4.912 -7.545 -9.518 278 HB VAL 18 HB VAL 18 -4.722 -5.686 -7.337 279 1HG1 VAL 18 1HG1 VAL 18 -2.793 -7.510 -8.785 280 2HG1 VAL 18 2HG1 VAL 18 -2.383 -6.661 -7.295 281 3HG1 VAL 18 3HG1 VAL 18 -3.684 -7.851 -7.302 282 1HG2 VAL 18 1HG2 VAL 18 -2.955 -5.075 -9.727 283 2HG2 VAL 18 2HG2 VAL 18 -4.113 -3.974 -8.979 284 3HG2 VAL 18 3HG2 VAL 18 -2.669 -4.474 -8.094 285 H CYS 19 H CYS 19 -6.976 -4.693 -9.260 286 HA CYS 19 HA CYS 19 -8.652 -5.787 -7.175 287 1HB CYS 19 1HB CYS 19 -8.576 -3.363 -7.663 288 2HB CYS 19 2HB CYS 19 -9.293 -3.665 -9.247 289 H GLY 20 H GLY 20 -9.374 -5.274 -10.653 290 1HA GLY 20 1HA GLY 20 -10.126 -7.407 -11.853 291 2HA GLY 20 2HA GLY 20 -11.200 -7.637 -10.471 292 H GLU 21 H GLU 21 -13.241 -7.242 -11.218 293 HA GLU 21 HA GLU 21 -13.651 -4.930 -13.052 294 1HB GLU 21 1HB GLU 21 -15.893 -5.928 -13.435 295 2HB GLU 21 2HB GLU 21 -14.599 -7.071 -13.796 296 1HG GLU 21 1HG GLU 21 -14.876 -8.109 -11.584 297 2HG GLU 21 2HG GLU 21 -16.148 -6.952 -11.190 298 H ARG 22 H ARG 22 -13.264 -4.910 -10.004 299 HA ARG 22 HA ARG 22 -15.891 -3.851 -9.135 300 1HB ARG 22 1HB ARG 22 -13.405 -3.885 -7.437 301 2HB ARG 22 2HB ARG 22 -15.091 -4.013 -6.935 302 1HG ARG 22 1HG ARG 22 -13.700 -6.116 -8.612 303 2HG ARG 22 2HG ARG 22 -13.791 -6.189 -6.852 304 1HD ARG 22 1HD ARG 22 -16.412 -5.660 -7.601 305 2HD ARG 22 2HD ARG 22 -15.853 -6.785 -8.841 306 HE ARG 22 HE ARG 22 -15.010 -7.963 -6.490 307 1HH1 ARG 22 1HH1 ARG 22 -17.989 -6.703 -7.704 308 2HH1 ARG 22 2HH1 ARG 22 -18.972 -7.804 -6.798 309 1HH2 ARG 22 1HH2 ARG 22 -16.286 -9.407 -5.309 310 2HH2 ARG 22 2HH2 ARG 22 -18.010 -9.334 -5.448 311 H GLY 23 H GLY 23 -12.478 -2.729 -9.102 312 1HA GLY 23 1HA GLY 23 -12.011 -0.503 -10.139 313 2HA GLY 23 2HA GLY 23 -13.551 0.040 -9.471 314 H PHE 24 H PHE 24 -10.335 0.335 -8.993 315 HA PHE 24 HA PHE 24 -10.514 0.283 -6.023 316 1HB PHE 24 1HB PHE 24 -8.064 0.528 -6.066 317 2HB PHE 24 2HB PHE 24 -8.566 -0.843 -7.054 318 HD1 PHE 24 HD1 PHE 24 -8.626 -0.651 -9.533 319 HD2 PHE 24 HD2 PHE 24 -7.045 2.475 -7.048 320 HE1 PHE 24 HE1 PHE 24 -7.508 0.351 -11.502 321 HE2 PHE 24 HE2 PHE 24 -5.923 3.476 -9.022 322 HZ PHE 24 HZ PHE 24 -6.155 2.411 -11.248 323 H PHE 25 H PHE 25 -8.502 2.271 -5.575 324 HA PHE 25 HA PHE 25 -9.631 4.740 -6.769 325 1HB PHE 25 1HB PHE 25 -9.875 5.757 -4.503 326 2HB PHE 25 2HB PHE 25 -10.976 4.402 -4.759 327 HD1 PHE 25 HD1 PHE 25 -7.644 5.288 -3.318 328 HD2 PHE 25 HD2 PHE 25 -10.934 2.527 -3.328 329 HE1 PHE 25 HE1 PHE 25 -6.676 4.128 -1.351 330 HE2 PHE 25 HE2 PHE 25 -9.965 1.365 -1.362 331 HZ PHE 25 HZ PHE 25 -7.836 2.166 -0.373 332 H TYR 26 H TYR 26 -8.103 6.360 -6.945 333 HA TYR 26 HA TYR 26 -5.551 6.091 -5.452 334 1HB TYR 26 1HB TYR 26 -5.649 5.052 -7.941 335 2HB TYR 26 2HB TYR 26 -5.297 6.732 -8.347 336 HD1 TYR 26 HD1 TYR 26 -3.784 7.360 -5.727 337 HD2 TYR 26 HD2 TYR 26 -3.493 4.145 -8.562 338 HE1 TYR 26 HE1 TYR 26 -1.411 7.017 -5.095 339 HE2 TYR 26 HE2 TYR 26 -1.121 3.803 -7.930 340 HH TYR 26 HH TYR 26 0.233 4.940 -5.196 341 H GLU 27 H GLU 27 -7.953 7.945 -5.619 342 HA GLU 27 HA GLU 27 -6.739 10.431 -6.649 343 1HB GLU 27 1HB GLU 27 -9.440 9.759 -5.468 344 2HB GLU 27 2HB GLU 27 -8.957 11.412 -5.851 345 1HG GLU 27 1HG GLU 27 -8.338 9.689 -8.077 346 2HG GLU 27 2HG GLU 27 -10.031 9.483 -7.625 347 HA PRO 28 HA PRO 28 -5.057 11.025 -2.512 348 1HB PRO 28 1HB PRO 28 -3.793 13.415 -3.315 349 2HB PRO 28 2HB PRO 28 -3.053 11.807 -3.255 350 1HG PRO 28 1HG PRO 28 -3.863 13.366 -5.590 351 2HG PRO 28 2HG PRO 28 -2.873 11.899 -5.524 352 1HD PRO 28 1HD PRO 28 -5.575 12.102 -6.399 353 2HD PRO 28 2HD PRO 28 -4.642 10.615 -6.154 354 H LYS 29 H LYS 29 -6.828 11.720 -1.277 355 HA LYS 29 HA LYS 29 -7.584 14.590 -1.636 356 1HB LYS 29 1HB LYS 29 -9.844 13.735 -0.592 357 2HB LYS 29 2HB LYS 29 -9.545 13.515 -2.317 358 1HG LYS 29 1HG LYS 29 -8.722 11.225 -1.880 359 2HG LYS 29 2HG LYS 29 -9.045 11.443 -0.159 360 1HD LYS 29 1HD LYS 29 -11.456 11.944 -0.790 361 2HD LYS 29 2HD LYS 29 -11.059 11.401 -2.420 362 1HE LYS 29 1HE LYS 29 -10.899 9.782 0.135 363 2HE LYS 29 2HE LYS 29 -11.978 9.510 -1.234 364 1HZ LYS 29 1HZ LYS 29 -9.915 9.224 -2.603 365 2HZ LYS 29 2HZ LYS 29 -9.034 9.192 -1.154 366 3HZ LYS 29 3HZ LYS 29 -10.204 7.998 -1.462 Start of MODEL 23 1 1H GLY 1 1H GLY 1 1.022 1.030 2.074 2 2H GLY 1 2H GLY 1 0.632 2.426 2.962 3 3H GLY 1 3H GLY 1 0.598 0.907 3.715 4 1HA GLY 1 1HA GLY 1 -1.432 0.408 2.964 5 2HA GLY 1 2HA GLY 1 -1.560 2.151 2.715 6 H ILE 2 H ILE 2 0.283 2.401 0.565 7 HA ILE 2 HA ILE 2 -0.118 0.573 -1.566 8 HB ILE 2 HB ILE 2 -2.471 1.079 -1.435 9 1HG1 ILE 2 1HG1 ILE 2 -1.233 1.086 -3.716 10 2HG1 ILE 2 2HG1 ILE 2 -2.874 1.723 -3.664 11 1HG2 ILE 2 1HG2 ILE 2 -1.474 3.894 -1.209 12 2HG2 ILE 2 2HG2 ILE 2 -3.071 3.598 -1.897 13 3HG2 ILE 2 3HG2 ILE 2 -2.704 3.062 -0.257 14 1HD1 ILE 2 1HD1 ILE 2 -1.014 3.841 -3.056 15 2HD1 ILE 2 2HD1 ILE 2 -0.541 3.054 -4.560 16 3HD1 ILE 2 3HD1 ILE 2 -2.161 3.727 -4.388 17 H VAL 3 H VAL 3 0.322 3.920 -0.550 18 HA VAL 3 HA VAL 3 1.758 4.566 -3.053 19 HB VAL 3 HB VAL 3 1.121 6.194 -0.572 20 1HG1 VAL 3 1HG1 VAL 3 3.320 6.732 -1.868 21 2HG1 VAL 3 2HG1 VAL 3 2.240 7.309 -3.137 22 3HG1 VAL 3 3HG1 VAL 3 2.196 8.049 -1.538 23 1HG2 VAL 3 1HG2 VAL 3 -0.282 5.582 -3.018 24 2HG2 VAL 3 2HG2 VAL 3 -0.829 6.546 -1.647 25 3HG2 VAL 3 3HG2 VAL 3 0.073 7.308 -2.956 26 H GLU 4 H GLU 4 2.494 4.494 0.457 27 HA GLU 4 HA GLU 4 5.315 4.887 0.075 28 1HB GLU 4 1HB GLU 4 3.961 3.442 2.363 29 2HB GLU 4 2HB GLU 4 5.541 4.221 2.393 30 1HG GLU 4 1HG GLU 4 4.517 6.407 2.046 31 2HG GLU 4 2HG GLU 4 2.925 5.666 1.878 32 H GLN 5 H GLN 5 3.286 2.268 -0.621 33 HA GLN 5 HA GLN 5 5.301 0.175 -0.198 34 1HB GLN 5 1HB GLN 5 2.765 -0.150 -0.038 35 2HB GLN 5 2HB GLN 5 2.743 -0.046 -1.798 36 1HG GLN 5 1HG GLN 5 3.368 -2.199 -1.945 37 2HG GLN 5 2HG GLN 5 4.837 -1.841 -1.035 38 1HE2 GLN 5 2HE2 GLN 5 4.067 -1.350 1.506 39 2HE2 GLN 5 1HE2 GLN 5 3.144 -2.618 2.153 40 H CYS 6 H CYS 6 3.848 1.914 -2.962 41 HA CYS 6 HA CYS 6 6.117 0.871 -4.615 42 1HB CYS 6 1HB CYS 6 3.267 0.784 -5.081 43 2HB CYS 6 2HB CYS 6 4.054 1.734 -6.342 44 H CYS 7 H CYS 7 3.913 3.614 -4.070 45 HA CYS 7 HA CYS 7 5.195 5.445 -5.824 46 1HB CYS 7 1HB CYS 7 3.280 5.578 -3.647 47 2HB CYS 7 2HB CYS 7 4.375 6.958 -3.637 48 H HIS 8 H HIS 8 6.123 4.194 -2.702 49 HA HIS 8 HA HIS 8 8.309 6.210 -2.516 50 1HB HIS 8 1HB HIS 8 7.053 4.310 -0.542 51 2HB HIS 8 2HB HIS 8 8.637 5.022 -0.230 52 HD1 HIS 8 HD1 HIS 8 7.386 6.299 1.786 53 HD2 HIS 8 HD2 HIS 8 6.229 7.429 -2.057 54 HE1 HIS 8 HE1 HIS 8 6.152 8.496 2.027 55 H SER 9 H SER 9 7.704 2.863 -3.256 56 HA SER 9 HA SER 9 10.603 2.518 -3.760 57 1HB SER 9 1HB SER 9 10.778 0.470 -2.517 58 2HB SER 9 2HB SER 9 10.083 1.668 -1.429 59 HG SER 9 HG SER 9 9.002 -0.432 -1.513 60 H ILE 10 H ILE 10 10.440 -0.276 -4.305 61 HA ILE 10 HA ILE 10 8.722 -0.187 -6.746 62 HB ILE 10 HB ILE 10 11.165 -1.889 -6.169 63 1HG1 ILE 10 1HG1 ILE 10 10.993 0.342 -8.184 64 2HG1 ILE 10 2HG1 ILE 10 11.379 0.699 -6.500 65 1HG2 ILE 10 1HG2 ILE 10 9.389 -1.539 -8.594 66 2HG2 ILE 10 2HG2 ILE 10 11.012 -2.223 -8.695 67 3HG2 ILE 10 3HG2 ILE 10 9.772 -3.034 -7.739 68 1HD1 ILE 10 1HD1 ILE 10 13.231 -0.979 -6.618 69 2HD1 ILE 10 2HD1 ILE 10 12.888 -1.184 -8.335 70 3HD1 ILE 10 3HD1 ILE 10 13.456 0.371 -7.729 71 H CYS 11 H CYS 11 7.627 -2.171 -7.364 72 HA CYS 11 HA CYS 11 7.468 -4.357 -5.407 73 1HB CYS 11 1HB CYS 11 4.761 -3.419 -6.050 74 2HB CYS 11 2HB CYS 11 5.429 -3.931 -4.505 75 H SER 12 H SER 12 4.937 -5.316 -6.466 76 HA SER 12 HA SER 12 5.590 -5.682 -9.352 77 1HB SER 12 1HB SER 12 4.761 -8.137 -8.900 78 2HB SER 12 2HB SER 12 6.429 -7.704 -8.532 79 HG SER 12 HG SER 12 4.455 -7.315 -6.581 80 H LEU 13 H LEU 13 3.124 -7.694 -8.035 81 HA LEU 13 HA LEU 13 1.023 -5.665 -8.479 82 1HB LEU 13 1HB LEU 13 1.671 -7.833 -10.359 83 2HB LEU 13 2HB LEU 13 -0.029 -7.781 -9.885 84 HG LEU 13 HG LEU 13 1.413 -5.261 -10.681 85 1HD1 LEU 13 1HD1 LEU 13 0.189 -7.363 -12.479 86 2HD1 LEU 13 2HD1 LEU 13 0.368 -5.683 -12.982 87 3HD1 LEU 13 3HD1 LEU 13 1.795 -6.642 -12.590 88 1HD2 LEU 13 1HD2 LEU 13 -1.012 -5.605 -9.597 89 2HD2 LEU 13 2HD2 LEU 13 -0.706 -4.356 -10.804 90 3HD2 LEU 13 3HD2 LEU 13 -1.444 -5.884 -11.285 91 H TYR 14 H TYR 14 2.217 -7.755 -6.439 92 HA TYR 14 HA TYR 14 -0.333 -9.126 -5.752 93 1HB TYR 14 1HB TYR 14 2.439 -9.824 -5.519 94 2HB TYR 14 2HB TYR 14 1.748 -9.745 -3.898 95 HD1 TYR 14 HD1 TYR 14 1.556 -11.392 -7.194 96 HD2 TYR 14 HD2 TYR 14 -0.036 -11.251 -3.207 97 HE1 TYR 14 HE1 TYR 14 0.425 -13.567 -7.569 98 HE2 TYR 14 HE2 TYR 14 -1.168 -13.426 -3.581 99 HH TYR 14 HH TYR 14 -0.563 -15.528 -5.360 100 H GLN 15 H GLN 15 1.825 -6.584 -4.760 101 HA GLN 15 HA GLN 15 0.623 -6.310 -2.097 102 1HB GLN 15 1HB GLN 15 2.211 -4.100 -3.333 103 2HB GLN 15 2HB GLN 15 2.261 -4.730 -1.687 104 1HG GLN 15 1HG GLN 15 3.141 -6.910 -3.005 105 2HG GLN 15 2HG GLN 15 3.706 -5.662 -4.115 106 1HE2 GLN 15 2HE2 GLN 15 4.561 -3.609 -2.561 107 2HE2 GLN 15 1HE2 GLN 15 5.738 -4.111 -1.446 108 H LEU 16 H LEU 16 0.076 -5.129 -5.314 109 HA LEU 16 HA LEU 16 -1.547 -2.845 -4.424 110 1HB LEU 16 1HB LEU 16 -1.297 -4.047 -7.197 111 2HB LEU 16 2HB LEU 16 -1.925 -2.450 -6.790 112 HG LEU 16 HG LEU 16 0.883 -3.314 -6.071 113 1HD1 LEU 16 1HD1 LEU 16 -0.052 -3.029 -8.666 114 2HD1 LEU 16 2HD1 LEU 16 0.598 -1.431 -8.299 115 3HD1 LEU 16 3HD1 LEU 16 1.628 -2.856 -8.159 116 1HD2 LEU 16 1HD2 LEU 16 -0.558 -1.235 -5.135 117 2HD2 LEU 16 2HD2 LEU 16 1.183 -1.133 -5.399 118 3HD2 LEU 16 3HD2 LEU 16 0.068 -0.498 -6.609 119 H GLU 17 H GLU 17 -2.013 -6.175 -4.731 120 HA GLU 17 HA GLU 17 -4.778 -6.130 -5.641 121 1HB GLU 17 1HB GLU 17 -3.046 -8.229 -4.321 122 2HB GLU 17 2HB GLU 17 -4.748 -8.513 -4.688 123 1HG GLU 17 1HG GLU 17 -4.254 -7.859 -7.077 124 2HG GLU 17 2HG GLU 17 -2.541 -7.844 -6.652 125 H ASN 18 H ASN 18 -3.173 -5.591 -2.632 126 HA ASN 18 HA ASN 18 -5.534 -6.211 -0.996 127 1HB ASN 18 1HB ASN 18 -3.411 -4.534 0.195 128 2HB ASN 18 2HB ASN 18 -4.145 -6.017 0.801 129 1HD2 ASN 18 2HD2 ASN 18 -3.344 -8.099 -0.212 130 2HD2 ASN 18 1HD2 ASN 18 -1.758 -8.157 -0.815 131 H TYR 19 H TYR 19 -4.835 -3.757 -3.079 132 HA TYR 19 HA TYR 19 -6.122 -1.672 -1.383 133 1HB TYR 19 1HB TYR 19 -4.870 -1.239 -4.098 134 2HB TYR 19 2HB TYR 19 -5.171 -0.049 -2.832 135 HD1 TYR 19 HD1 TYR 19 -4.256 -2.109 -0.595 136 HD2 TYR 19 HD2 TYR 19 -2.474 -0.611 -4.204 137 HE1 TYR 19 HE1 TYR 19 -1.998 -2.534 0.343 138 HE2 TYR 19 HE2 TYR 19 -0.218 -1.033 -3.268 139 HH TYR 19 HH TYR 19 0.611 -1.228 -0.492 140 H CYS 20 H CYS 20 -7.250 -4.046 -3.143 141 HA CYS 20 HA CYS 20 -9.038 -2.472 -4.911 142 1HB CYS 20 1HB CYS 20 -8.223 -4.435 -5.978 143 2HB CYS 20 2HB CYS 20 -8.509 -5.428 -4.552 144 H ASN 21 H ASN 21 -11.093 -1.967 -4.299 145 HA ASN 21 HA ASN 21 -12.021 -2.415 -1.639 146 1HB ASN 21 1HB ASN 21 -13.439 -1.588 -4.182 147 2HB ASN 21 2HB ASN 21 -14.268 -1.693 -2.627 148 1HD2 ASN 21 2HD2 ASN 21 -12.765 0.500 -4.601 149 2HD2 ASN 21 1HD2 ASN 21 -12.230 1.616 -3.438 150 1H GLU 1 1H GLU 1 13.973 -6.791 -15.951 151 2H GLU 1 2H GLU 1 15.117 -7.890 -15.344 152 3H GLU 1 3H GLU 1 13.698 -8.458 -16.087 153 HA GLU 1 HA GLU 1 12.650 -8.473 -14.156 154 1HB GLU 1 1HB GLU 1 15.392 -8.181 -13.495 155 2HB GLU 1 2HB GLU 1 14.496 -7.114 -12.414 156 1HG GLU 1 1HG GLU 1 13.840 -10.036 -12.888 157 2HG GLU 1 2HG GLU 1 14.721 -9.416 -11.491 158 H VAL 2 H VAL 2 10.942 -7.069 -14.272 159 HA VAL 2 HA VAL 2 10.954 -4.315 -14.676 160 HB VAL 2 HB VAL 2 8.863 -5.521 -14.660 161 1HG1 VAL 2 1HG1 VAL 2 9.939 -6.801 -12.434 162 2HG1 VAL 2 2HG1 VAL 2 8.599 -5.865 -11.771 163 3HG1 VAL 2 3HG1 VAL 2 8.309 -7.025 -13.068 164 1HG2 VAL 2 1HG2 VAL 2 9.304 -3.127 -13.184 165 2HG2 VAL 2 2HG2 VAL 2 7.818 -3.643 -13.981 166 3HG2 VAL 2 3HG2 VAL 2 8.110 -4.072 -12.295 167 H ASN 3 H ASN 3 11.918 -2.707 -13.539 168 HA ASN 3 HA ASN 3 11.904 -2.864 -10.569 169 1HB ASN 3 1HB ASN 3 14.258 -2.235 -10.441 170 2HB ASN 3 2HB ASN 3 14.108 -3.715 -11.388 171 1HD2 ASN 3 2HD2 ASN 3 13.959 -3.327 -13.866 172 2HD2 ASN 3 1HD2 ASN 3 14.898 -2.065 -14.505 173 H GLN 4 H GLN 4 10.570 -1.105 -10.240 174 HA GLN 4 HA GLN 4 11.608 1.539 -10.613 175 1HB GLN 4 1HB GLN 4 10.995 0.996 -12.990 176 2HB GLN 4 2HB GLN 4 9.319 0.819 -12.467 177 1HG GLN 4 1HG GLN 4 9.588 3.069 -13.306 178 2HG GLN 4 2HG GLN 4 9.444 3.166 -11.551 179 1HE2 GLN 4 2HE2 GLN 4 10.656 5.285 -11.793 180 2HE2 GLN 4 1HE2 GLN 4 12.347 5.243 -11.924 181 H HIS 5 H HIS 5 10.477 2.943 -9.280 182 HA HIS 5 HA HIS 5 8.394 1.794 -7.592 183 1HB HIS 5 1HB HIS 5 8.815 4.729 -7.512 184 2HB HIS 5 2HB HIS 5 8.778 3.564 -6.192 185 HD1 HIS 5 HD1 HIS 5 11.018 2.327 -5.624 186 HD2 HIS 5 HD2 HIS 5 11.379 5.206 -8.616 187 HE1 HIS 5 HE1 HIS 5 13.499 2.714 -5.948 188 H LEU 6 H LEU 6 6.458 1.479 -8.664 189 HA LEU 6 HA LEU 6 5.439 3.207 -10.713 190 1HB LEU 6 1HB LEU 6 4.263 1.054 -8.979 191 2HB LEU 6 2HB LEU 6 3.190 2.064 -9.948 192 HG LEU 6 HG LEU 6 4.741 1.521 -11.924 193 1HD1 LEU 6 1HD1 LEU 6 6.579 0.618 -10.500 194 2HD1 LEU 6 2HD1 LEU 6 5.530 -0.723 -10.042 195 3HD1 LEU 6 3HD1 LEU 6 6.043 -0.538 -11.720 196 1HD2 LEU 6 1HD2 LEU 6 2.476 0.265 -10.891 197 2HD2 LEU 6 2HD2 LEU 6 3.135 0.035 -12.510 198 3HD2 LEU 6 3HD2 LEU 6 3.584 -1.069 -11.212 199 H CYS 7 H CYS 7 5.283 5.375 -10.116 200 HA CYS 7 HA CYS 7 3.356 5.953 -7.913 201 1HB CYS 7 1HB CYS 7 5.834 6.358 -7.318 202 2HB CYS 7 2HB CYS 7 5.758 7.698 -8.461 203 H GLY 8 H GLY 8 2.373 8.157 -8.148 204 1HA GLY 8 1HA GLY 8 1.581 9.978 -9.459 205 2HA GLY 8 2HA GLY 8 2.590 9.418 -10.795 206 H SER 9 H SER 9 1.683 8.068 -12.338 207 HA SER 9 HA SER 9 -1.196 7.371 -11.918 208 1HB SER 9 1HB SER 9 0.334 8.322 -14.315 209 2HB SER 9 2HB SER 9 -1.054 7.267 -14.559 210 HG SER 9 HG SER 9 -2.285 8.761 -13.331 211 H GLU 10 H GLU 10 1.875 6.259 -13.345 212 HA GLU 10 HA GLU 10 1.197 3.790 -14.372 213 1HB GLU 10 1HB GLU 10 3.430 2.974 -13.422 214 2HB GLU 10 2HB GLU 10 3.497 4.426 -14.422 215 1HG GLU 10 1HG GLU 10 3.399 5.811 -12.347 216 2HG GLU 10 2HG GLU 10 3.461 4.330 -11.391 217 H LEU 11 H LEU 11 1.083 4.747 -11.011 218 HA LEU 11 HA LEU 11 0.883 2.028 -9.978 219 1HB LEU 11 1HB LEU 11 1.676 4.081 -8.680 220 2HB LEU 11 2HB LEU 11 -0.018 4.566 -8.597 221 HG LEU 11 HG LEU 11 0.795 3.254 -6.593 222 1HD1 LEU 11 1HD1 LEU 11 -1.628 3.248 -7.827 223 2HD1 LEU 11 2HD1 LEU 11 -1.266 1.523 -7.831 224 3HD1 LEU 11 3HD1 LEU 11 -1.307 2.411 -6.308 225 1HD2 LEU 11 1HD2 LEU 11 2.070 1.683 -8.363 226 2HD2 LEU 11 2HD2 LEU 11 1.552 1.087 -6.786 227 3HD2 LEU 11 3HD2 LEU 11 0.574 0.761 -8.216 228 H VAL 12 H VAL 12 -1.446 4.664 -10.606 229 HA VAL 12 HA VAL 12 -3.741 3.183 -9.725 230 HB VAL 12 HB VAL 12 -3.474 5.737 -10.158 231 1HG1 VAL 12 1HG1 VAL 12 -2.801 5.522 -12.527 232 2HG1 VAL 12 2HG1 VAL 12 -4.358 4.783 -12.899 233 3HG1 VAL 12 3HG1 VAL 12 -4.282 6.463 -12.367 234 1HG2 VAL 12 1HG2 VAL 12 -5.569 4.427 -9.491 235 2HG2 VAL 12 2HG2 VAL 12 -5.847 5.961 -10.317 236 3HG2 VAL 12 3HG2 VAL 12 -6.003 4.442 -11.200 237 H GLU 13 H GLU 13 -2.421 3.755 -13.002 238 HA GLU 13 HA GLU 13 -4.354 2.328 -14.468 239 1HB GLU 13 1HB GLU 13 -2.455 3.677 -15.432 240 2HB GLU 13 2HB GLU 13 -1.378 2.334 -15.043 241 1HG GLU 13 1HG GLU 13 -2.542 0.852 -16.520 242 2HG GLU 13 2HG GLU 13 -3.870 1.995 -16.724 243 H ALA 14 H ALA 14 -1.640 1.143 -12.558 244 HA ALA 14 HA ALA 14 -2.116 -1.632 -13.455 245 1HB ALA 14 1HB ALA 14 0.204 -0.747 -13.012 246 2HB ALA 14 2HB ALA 14 -0.225 -0.632 -11.305 247 3HB ALA 14 3HB ALA 14 -0.192 -2.206 -12.102 248 H LEU 15 H LEU 15 -3.064 0.502 -10.917 249 HA LEU 15 HA LEU 15 -3.625 -1.477 -8.899 250 1HB LEU 15 1HB LEU 15 -4.039 1.380 -9.278 251 2HB LEU 15 2HB LEU 15 -5.441 0.617 -8.529 252 HG LEU 15 HG LEU 15 -2.602 0.190 -7.572 253 1HD1 LEU 15 1HD1 LEU 15 -3.403 2.578 -7.356 254 2HD1 LEU 15 2HD1 LEU 15 -4.725 1.978 -6.353 255 3HD1 LEU 15 3HD1 LEU 15 -3.055 1.787 -5.818 256 1HD2 LEU 15 1HD2 LEU 15 -4.362 -1.550 -7.067 257 2HD2 LEU 15 2HD2 LEU 15 -3.675 -0.789 -5.631 258 3HD2 LEU 15 3HD2 LEU 15 -5.268 -0.302 -6.210 259 H GLU 16 H GLU 16 -5.721 0.145 -11.318 260 HA GLU 16 HA GLU 16 -8.077 -1.348 -10.668 261 1HB GLU 16 1HB GLU 16 -7.165 0.436 -12.835 262 2HB GLU 16 2HB GLU 16 -8.379 -0.747 -13.325 263 1HG GLU 16 1HG GLU 16 -9.483 0.060 -11.011 264 2HG GLU 16 2HG GLU 16 -8.599 1.528 -11.426 265 H LEU 17 H LEU 17 -5.168 -2.327 -12.114 266 HA LEU 17 HA LEU 17 -6.379 -4.398 -13.818 267 1HB LEU 17 1HB LEU 17 -3.796 -3.142 -13.558 268 2HB LEU 17 2HB LEU 17 -3.615 -4.895 -13.474 269 HG LEU 17 HG LEU 17 -3.503 -4.210 -15.805 270 1HD1 LEU 17 1HD1 LEU 17 -5.393 -6.032 -14.736 271 2HD1 LEU 17 2HD1 LEU 17 -6.195 -5.203 -16.069 272 3HD1 LEU 17 3HD1 LEU 17 -4.675 -6.053 -16.346 273 1HD2 LEU 17 1HD2 LEU 17 -5.323 -2.242 -15.000 274 2HD2 LEU 17 2HD2 LEU 17 -4.758 -2.529 -16.645 275 3HD2 LEU 17 3HD2 LEU 17 -6.252 -3.279 -16.083 276 H VAL 18 H VAL 18 -5.211 -4.074 -10.571 277 HA VAL 18 HA VAL 18 -5.047 -7.020 -10.253 278 HB VAL 18 HB VAL 18 -4.653 -5.865 -7.743 279 1HG1 VAL 18 1HG1 VAL 18 -3.417 -7.746 -8.776 280 2HG1 VAL 18 2HG1 VAL 18 -2.597 -6.604 -9.841 281 3HG1 VAL 18 3HG1 VAL 18 -2.321 -6.539 -8.101 282 1HG2 VAL 18 1HG2 VAL 18 -3.428 -4.163 -9.923 283 2HG2 VAL 18 2HG2 VAL 18 -4.465 -3.626 -8.602 284 3HG2 VAL 18 3HG2 VAL 18 -2.826 -4.185 -8.266 285 H CYS 19 H CYS 19 -6.995 -4.243 -9.320 286 HA CYS 19 HA CYS 19 -8.601 -5.611 -7.364 287 1HB CYS 19 1HB CYS 19 -8.522 -3.145 -7.546 288 2HB CYS 19 2HB CYS 19 -9.320 -3.243 -9.116 289 H GLY 20 H GLY 20 -9.565 -4.586 -10.664 290 1HA GLY 20 1HA GLY 20 -10.338 -6.650 -12.064 291 2HA GLY 20 2HA GLY 20 -11.435 -6.909 -10.707 292 H GLU 21 H GLU 21 -13.383 -5.877 -10.775 293 HA GLU 21 HA GLU 21 -13.660 -3.582 -12.675 294 1HB GLU 21 1HB GLU 21 -15.123 -6.121 -12.535 295 2HB GLU 21 2HB GLU 21 -16.184 -4.713 -12.519 296 1HG GLU 21 1HG GLU 21 -15.636 -4.109 -14.652 297 2HG GLU 21 2HG GLU 21 -13.956 -4.613 -14.471 298 H ARG 22 H ARG 22 -13.113 -3.425 -9.842 299 HA ARG 22 HA ARG 22 -15.689 -2.220 -8.913 300 1HB ARG 22 1HB ARG 22 -13.549 -3.445 -7.149 301 2HB ARG 22 2HB ARG 22 -15.131 -2.853 -6.642 302 1HG ARG 22 1HG ARG 22 -15.331 -4.808 -8.802 303 2HG ARG 22 2HG ARG 22 -14.530 -5.470 -7.377 304 1HD ARG 22 1HD ARG 22 -16.933 -5.814 -7.165 305 2HD ARG 22 2HD ARG 22 -16.417 -4.619 -5.976 306 HE ARG 22 HE ARG 22 -17.161 -3.092 -8.162 307 1HH1 ARG 22 1HH1 ARG 22 -18.595 -5.584 -6.250 308 2HH1 ARG 22 2HH1 ARG 22 -20.211 -5.000 -6.471 309 1HH2 ARG 22 1HH2 ARG 22 -19.263 -2.323 -8.457 310 2HH2 ARG 22 2HH2 ARG 22 -20.589 -3.157 -7.718 311 H GLY 23 H GLY 23 -12.151 -2.026 -8.907 312 1HA GLY 23 1HA GLY 23 -11.067 0.149 -9.227 313 2HA GLY 23 2HA GLY 23 -12.423 0.899 -8.383 314 H PHE 24 H PHE 24 -10.711 1.877 -6.995 315 HA PHE 24 HA PHE 24 -10.215 0.141 -4.664 316 1HB PHE 24 1HB PHE 24 -7.748 1.088 -4.729 317 2HB PHE 24 2HB PHE 24 -8.166 -0.360 -5.649 318 HD1 PHE 24 HD1 PHE 24 -7.699 3.326 -5.892 319 HD2 PHE 24 HD2 PHE 24 -8.116 -0.373 -8.035 320 HE1 PHE 24 HE1 PHE 24 -7.063 4.474 -7.999 321 HE2 PHE 24 HE2 PHE 24 -7.476 0.778 -10.138 322 HZ PHE 24 HZ PHE 24 -6.954 3.196 -10.119 323 H PHE 25 H PHE 25 -8.712 1.717 -3.094 324 HA PHE 25 HA PHE 25 -10.367 4.179 -2.882 325 1HB PHE 25 1HB PHE 25 -9.649 4.267 -0.569 326 2HB PHE 25 2HB PHE 25 -10.169 2.618 -0.918 327 HD1 PHE 25 HD1 PHE 25 -7.223 4.822 -0.461 328 HD2 PHE 25 HD2 PHE 25 -8.611 0.783 -0.927 329 HE1 PHE 25 HE1 PHE 25 -4.983 3.978 0.185 330 HE2 PHE 25 HE2 PHE 25 -6.371 -0.061 -0.280 331 HZ PHE 25 HZ PHE 25 -4.556 1.537 0.276 332 H TYR 26 H TYR 26 -7.361 3.238 -4.052 333 HA TYR 26 HA TYR 26 -5.645 5.329 -3.164 334 1HB TYR 26 1HB TYR 26 -4.740 3.439 -4.388 335 2HB TYR 26 2HB TYR 26 -5.717 3.833 -5.801 336 HD1 TYR 26 HD1 TYR 26 -3.812 6.123 -3.543 337 HD2 TYR 26 HD2 TYR 26 -4.149 4.410 -7.468 338 HE1 TYR 26 HE1 TYR 26 -2.029 7.640 -4.359 339 HE2 TYR 26 HE2 TYR 26 -2.366 5.929 -8.283 340 HH TYR 26 HH TYR 26 -0.300 7.564 -6.306 341 H GLU 27 H GLU 27 -6.121 7.467 -3.334 342 HA GLU 27 HA GLU 27 -8.030 8.544 -5.181 343 1HB GLU 27 1HB GLU 27 -6.080 9.627 -3.220 344 2HB GLU 27 2HB GLU 27 -6.564 10.723 -4.514 345 1HG GLU 27 1HG GLU 27 -8.971 9.611 -3.787 346 2HG GLU 27 2HG GLU 27 -8.130 9.705 -2.239 347 HA PRO 28 HA PRO 28 -5.854 9.227 -8.907 348 1HB PRO 28 1HB PRO 28 -6.440 12.011 -9.195 349 2HB PRO 28 2HB PRO 28 -7.296 10.648 -9.929 350 1HG PRO 28 1HG PRO 28 -8.177 12.356 -7.766 351 2HG PRO 28 2HG PRO 28 -9.068 11.055 -8.566 352 1HD PRO 28 1HD PRO 28 -7.939 11.030 -5.935 353 2HD PRO 28 2HD PRO 28 -8.758 9.699 -6.773 354 H LYS 29 H LYS 29 -5.535 12.268 -7.025 355 HA LYS 29 HA LYS 29 -2.662 12.338 -7.757 356 1HB LYS 29 1HB LYS 29 -2.836 14.622 -6.549 357 2HB LYS 29 2HB LYS 29 -3.670 14.451 -8.094 358 1HG LYS 29 1HG LYS 29 -5.777 14.321 -7.096 359 2HG LYS 29 2HG LYS 29 -5.119 13.792 -5.547 360 1HD LYS 29 1HD LYS 29 -4.317 15.974 -5.025 361 2HD LYS 29 2HD LYS 29 -4.557 16.537 -6.679 362 1HE LYS 29 1HE LYS 29 -7.064 15.560 -5.798 363 2HE LYS 29 2HE LYS 29 -6.426 16.554 -4.487 364 1HZ LYS 29 1HZ LYS 29 -6.230 17.556 -7.235 365 2HZ LYS 29 2HZ LYS 29 -7.736 17.621 -6.460 366 3HZ LYS 29 3HZ LYS 29 -6.397 18.414 -5.778 Start of MODEL 24 1 1H GLY 1 1H GLY 1 -1.012 1.817 1.386 2 2H GLY 1 2H GLY 1 -0.465 1.769 2.990 3 3H GLY 1 3H GLY 1 -0.387 3.220 2.111 4 1HA GLY 1 1HA GLY 1 1.769 2.571 1.911 5 2HA GLY 1 2HA GLY 1 1.340 0.860 1.976 6 H ILE 2 H ILE 2 -0.499 2.964 -0.089 7 HA ILE 2 HA ILE 2 0.225 1.394 -2.427 8 HB ILE 2 HB ILE 2 -1.438 3.896 -2.039 9 1HG1 ILE 2 1HG1 ILE 2 -2.217 1.113 -2.940 10 2HG1 ILE 2 2HG1 ILE 2 -2.267 1.627 -1.253 11 1HG2 ILE 2 1HG2 ILE 2 -0.950 2.317 -4.584 12 2HG2 ILE 2 2HG2 ILE 2 -2.107 3.636 -4.402 13 3HG2 ILE 2 3HG2 ILE 2 -0.377 3.955 -4.270 14 1HD1 ILE 2 1HD1 ILE 2 -3.559 3.614 -2.877 15 2HD1 ILE 2 2HD1 ILE 2 -4.244 2.033 -3.251 16 3HD1 ILE 2 3HD1 ILE 2 -4.252 2.628 -1.590 17 H VAL 3 H VAL 3 0.443 4.938 -1.932 18 HA VAL 3 HA VAL 3 2.548 5.120 -3.950 19 HB VAL 3 HB VAL 3 1.292 7.148 -2.086 20 1HG1 VAL 3 1HG1 VAL 3 3.451 7.473 -4.187 21 2HG1 VAL 3 2HG1 VAL 3 2.501 8.819 -3.559 22 3HG1 VAL 3 3HG1 VAL 3 3.547 7.898 -2.478 23 1HG2 VAL 3 1HG2 VAL 3 0.353 5.990 -4.407 24 2HG2 VAL 3 2HG2 VAL 3 -0.146 7.568 -3.796 25 3HG2 VAL 3 3HG2 VAL 3 1.129 7.455 -5.009 26 H GLU 4 H GLU 4 2.451 4.572 -0.562 27 HA GLU 4 HA GLU 4 5.156 5.660 -0.106 28 1HB GLU 4 1HB GLU 4 3.322 4.076 1.713 29 2HB GLU 4 2HB GLU 4 4.837 4.832 2.203 30 1HG GLU 4 1HG GLU 4 3.104 6.363 2.821 31 2HG GLU 4 2HG GLU 4 3.862 7.035 1.376 32 H GLN 5 H GLN 5 3.755 2.760 -1.212 33 HA GLN 5 HA GLN 5 6.237 1.247 -0.504 34 1HB GLN 5 1HB GLN 5 3.961 0.360 0.279 35 2HB GLN 5 2HB GLN 5 3.624 0.031 -1.422 36 1HG GLN 5 1HG GLN 5 4.928 -1.809 -1.404 37 2HG GLN 5 2HG GLN 5 6.265 -0.926 -0.667 38 1HE2 GLN 5 2HE2 GLN 5 4.476 -3.584 -0.088 39 2HE2 GLN 5 1HE2 GLN 5 4.386 -3.543 1.606 40 H CYS 6 H CYS 6 4.307 2.537 -3.062 41 HA CYS 6 HA CYS 6 5.835 0.965 -5.081 42 1HB CYS 6 1HB CYS 6 3.305 2.615 -5.241 43 2HB CYS 6 2HB CYS 6 4.157 2.058 -6.682 44 H CYS 7 H CYS 7 5.269 4.222 -3.872 45 HA CYS 7 HA CYS 7 6.992 5.371 -5.990 46 1HB CYS 7 1HB CYS 7 4.840 6.474 -5.067 47 2HB CYS 7 2HB CYS 7 5.827 6.894 -3.668 48 H HIS 8 H HIS 8 6.919 5.068 -2.423 49 HA HIS 8 HA HIS 8 9.550 6.231 -2.091 50 1HB HIS 8 1HB HIS 8 8.089 4.357 -0.208 51 2HB HIS 8 2HB HIS 8 9.383 5.480 0.210 52 HD1 HIS 8 HD1 HIS 8 7.101 6.136 1.831 53 HD2 HIS 8 HD2 HIS 8 7.231 7.434 -2.128 54 HE1 HIS 8 HE1 HIS 8 5.479 8.075 1.659 55 H SER 9 H SER 9 8.424 3.122 -3.064 56 HA SER 9 HA SER 9 11.191 2.199 -3.347 57 1HB SER 9 1HB SER 9 10.510 -0.004 -2.111 58 2HB SER 9 2HB SER 9 11.017 1.386 -1.154 59 HG SER 9 HG SER 9 8.987 0.298 -0.533 60 H ILE 10 H ILE 10 11.108 -0.158 -4.276 61 HA ILE 10 HA ILE 10 9.178 -0.087 -6.492 62 HB ILE 10 HB ILE 10 11.405 -2.044 -5.846 63 1HG1 ILE 10 1HG1 ILE 10 11.937 -0.528 -8.169 64 2HG1 ILE 10 2HG1 ILE 10 11.379 0.625 -6.958 65 1HG2 ILE 10 1HG2 ILE 10 9.238 -2.144 -7.739 66 2HG2 ILE 10 2HG2 ILE 10 10.763 -1.971 -8.610 67 3HG2 ILE 10 3HG2 ILE 10 10.535 -3.312 -7.488 68 1HD1 ILE 10 1HD1 ILE 10 13.018 -0.321 -5.342 69 2HD1 ILE 10 2HD1 ILE 10 13.611 -1.397 -6.608 70 3HD1 ILE 10 3HD1 ILE 10 13.804 0.348 -6.773 71 H CYS 11 H CYS 11 7.183 -0.589 -5.423 72 HA CYS 11 HA CYS 11 6.866 -2.875 -3.703 73 1HB CYS 11 1HB CYS 11 4.429 -2.572 -4.160 74 2HB CYS 11 2HB CYS 11 5.221 -1.066 -3.696 75 H SER 12 H SER 12 4.757 -4.333 -4.794 76 HA SER 12 HA SER 12 5.950 -5.487 -7.282 77 1HB SER 12 1HB SER 12 4.734 -7.632 -6.064 78 2HB SER 12 2HB SER 12 6.459 -7.280 -5.986 79 HG SER 12 HG SER 12 6.145 -6.256 -4.047 80 H LEU 13 H LEU 13 3.097 -6.553 -5.487 81 HA LEU 13 HA LEU 13 1.168 -5.135 -7.064 82 1HB LEU 13 1HB LEU 13 2.337 -7.511 -8.267 83 2HB LEU 13 2HB LEU 13 0.598 -7.695 -8.047 84 HG LEU 13 HG LEU 13 1.970 -5.365 -9.420 85 1HD1 LEU 13 1HD1 LEU 13 1.757 -7.723 -10.550 86 2HD1 LEU 13 2HD1 LEU 13 0.052 -7.299 -10.694 87 3HD1 LEU 13 3HD1 LEU 13 1.279 -6.288 -11.457 88 1HD2 LEU 13 1HD2 LEU 13 -0.579 -5.565 -8.161 89 2HD2 LEU 13 2HD2 LEU 13 0.040 -4.238 -9.145 90 3HD2 LEU 13 3HD2 LEU 13 -0.851 -5.558 -9.903 91 H TYR 14 H TYR 14 1.963 -7.985 -5.125 92 HA TYR 14 HA TYR 14 -0.677 -8.774 -4.451 93 1HB TYR 14 1HB TYR 14 0.285 -9.889 -2.530 94 2HB TYR 14 2HB TYR 14 1.401 -10.059 -3.882 95 HD1 TYR 14 HD1 TYR 14 0.799 -8.431 -0.637 96 HD2 TYR 14 HD2 TYR 14 3.524 -8.849 -3.931 97 HE1 TYR 14 HE1 TYR 14 2.595 -7.377 0.713 98 HE2 TYR 14 HE2 TYR 14 5.319 -7.801 -2.578 99 HH TYR 14 HH TYR 14 5.441 -6.210 -0.606 100 H GLN 15 H GLN 15 1.084 -5.941 -3.568 101 HA GLN 15 HA GLN 15 -0.540 -5.403 -1.175 102 1HB GLN 15 1HB GLN 15 1.634 -3.957 -2.656 103 2HB GLN 15 2HB GLN 15 0.578 -3.035 -1.588 104 1HG GLN 15 1HG GLN 15 1.977 -5.563 -0.702 105 2HG GLN 15 2HG GLN 15 2.691 -3.964 -0.507 106 1HE2 GLN 15 2HE2 GLN 15 2.342 -5.011 1.892 107 2HE2 GLN 15 1HE2 GLN 15 0.920 -4.490 2.661 108 H LEU 16 H LEU 16 -0.318 -4.249 -4.533 109 HA LEU 16 HA LEU 16 -2.463 -2.336 -4.275 110 1HB LEU 16 1HB LEU 16 -1.176 -3.695 -6.655 111 2HB LEU 16 2HB LEU 16 -2.435 -2.476 -6.815 112 HG LEU 16 HG LEU 16 0.134 -1.812 -6.877 113 1HD1 LEU 16 1HD1 LEU 16 -2.314 -0.470 -6.039 114 2HD1 LEU 16 2HD1 LEU 16 -0.878 0.279 -5.340 115 3HD1 LEU 16 3HD1 LEU 16 -1.021 0.111 -7.090 116 1HD2 LEU 16 1HD2 LEU 16 -0.515 -1.856 -3.917 117 2HD2 LEU 16 2HD2 LEU 16 0.786 -2.727 -4.731 118 3HD2 LEU 16 3HD2 LEU 16 0.838 -0.967 -4.619 119 H GLU 17 H GLU 17 -2.509 -5.675 -4.159 120 HA GLU 17 HA GLU 17 -5.055 -5.999 -5.618 121 1HB GLU 17 1HB GLU 17 -3.306 -7.763 -5.734 122 2HB GLU 17 2HB GLU 17 -3.466 -8.012 -3.995 123 1HG GLU 17 1HG GLU 17 -5.994 -8.360 -4.504 124 2HG GLU 17 2HG GLU 17 -5.467 -8.596 -6.171 125 H ASN 18 H ASN 18 -3.957 -5.439 -2.375 126 HA ASN 18 HA ASN 18 -6.331 -6.524 -1.077 127 1HB ASN 18 1HB ASN 18 -4.860 -4.387 0.341 128 2HB ASN 18 2HB ASN 18 -5.310 -5.998 0.893 129 1HD2 ASN 18 2HD2 ASN 18 -3.975 -7.837 -0.256 130 2HD2 ASN 18 1HD2 ASN 18 -2.322 -7.524 -0.484 131 H TYR 19 H TYR 19 -5.594 -3.632 -2.769 132 HA TYR 19 HA TYR 19 -7.775 -2.108 -1.485 133 1HB TYR 19 1HB TYR 19 -6.290 -1.201 -3.926 134 2HB TYR 19 2HB TYR 19 -6.911 -0.239 -2.583 135 HD1 TYR 19 HD1 TYR 19 -5.871 -1.705 -0.245 136 HD2 TYR 19 HD2 TYR 19 -3.982 -0.775 -3.987 137 HE1 TYR 19 HE1 TYR 19 -3.647 -1.824 0.848 138 HE2 TYR 19 HE2 TYR 19 -1.759 -0.896 -2.897 139 HH TYR 19 HH TYR 19 -1.445 -1.298 0.593 140 H CYS 20 H CYS 20 -8.320 -4.591 -3.024 141 HA CYS 20 HA CYS 20 -9.648 -3.555 -5.462 142 1HB CYS 20 1HB CYS 20 -8.434 -5.623 -5.757 143 2HB CYS 20 2HB CYS 20 -9.258 -6.358 -4.382 144 H ASN 21 H ASN 21 -11.434 -2.419 -4.642 145 HA ASN 21 HA ASN 21 -13.155 -3.320 -2.558 146 1HB ASN 21 1HB ASN 21 -13.404 -1.054 -3.158 147 2HB ASN 21 2HB ASN 21 -13.487 -1.423 -4.880 148 1HD2 ASN 21 2HD2 ASN 21 -15.551 -1.297 -5.714 149 2HD2 ASN 21 1HD2 ASN 21 -16.985 -1.554 -4.841 150 1H GLU 1 1H GLU 1 5.391 -6.145 -16.140 151 2H GLU 1 2H GLU 1 4.196 -7.064 -15.363 152 3H GLU 1 3H GLU 1 3.987 -5.389 -15.553 153 HA GLU 1 HA GLU 1 4.615 -5.630 -13.334 154 1HB GLU 1 1HB GLU 1 5.451 -8.049 -13.899 155 2HB GLU 1 2HB GLU 1 7.018 -7.266 -14.105 156 1HG GLU 1 1HG GLU 1 6.616 -6.203 -11.805 157 2HG GLU 1 2HG GLU 1 5.302 -7.366 -11.621 158 H VAL 2 H VAL 2 5.852 -3.979 -12.484 159 HA VAL 2 HA VAL 2 7.801 -2.704 -14.349 160 HB VAL 2 HB VAL 2 6.409 -1.560 -11.907 161 1HG1 VAL 2 1HG1 VAL 2 8.671 -0.687 -13.466 162 2HG1 VAL 2 2HG1 VAL 2 7.331 0.438 -13.692 163 3HG1 VAL 2 3HG1 VAL 2 7.928 0.091 -12.068 164 1HG2 VAL 2 1HG2 VAL 2 5.856 -1.357 -14.879 165 2HG2 VAL 2 2HG2 VAL 2 4.762 -1.918 -13.614 166 3HG2 VAL 2 3HG2 VAL 2 5.202 -0.213 -13.705 167 H ASN 3 H ASN 3 9.921 -2.297 -13.652 168 HA ASN 3 HA ASN 3 10.679 -3.656 -11.103 169 1HB ASN 3 1HB ASN 3 12.197 -3.105 -13.658 170 2HB ASN 3 2HB ASN 3 13.016 -3.580 -12.169 171 1HD2 ASN 3 2HD2 ASN 3 11.670 -5.584 -11.071 172 2HD2 ASN 3 1HD2 ASN 3 11.357 -6.854 -12.153 173 H GLN 4 H GLN 4 9.626 -0.942 -11.160 174 HA GLN 4 HA GLN 4 11.865 0.378 -9.782 175 1HB GLN 4 1HB GLN 4 11.405 0.966 -12.483 176 2HB GLN 4 2HB GLN 4 10.647 2.293 -11.598 177 1HG GLN 4 1HG GLN 4 12.780 2.494 -10.254 178 2HG GLN 4 2HG GLN 4 13.514 1.342 -11.370 179 1HE2 GLN 4 2HE2 GLN 4 12.612 4.673 -10.951 180 2HE2 GLN 4 1HE2 GLN 4 13.063 5.203 -12.498 181 H HIS 5 H HIS 5 11.025 2.587 -8.903 182 HA HIS 5 HA HIS 5 8.714 2.137 -7.316 183 1HB HIS 5 1HB HIS 5 9.776 4.860 -8.109 184 2HB HIS 5 2HB HIS 5 8.925 4.428 -6.627 185 HD1 HIS 5 HD1 HIS 5 10.306 3.549 -4.708 186 HD2 HIS 5 HD2 HIS 5 12.490 3.749 -8.251 187 HE1 HIS 5 HE1 HIS 5 12.714 3.061 -4.093 188 H LEU 6 H LEU 6 6.730 1.790 -8.277 189 HA LEU 6 HA LEU 6 5.950 3.056 -10.759 190 1HB LEU 6 1HB LEU 6 4.522 1.412 -8.680 191 2HB LEU 6 2HB LEU 6 3.598 2.239 -9.934 192 HG LEU 6 HG LEU 6 5.338 1.150 -11.556 193 1HD1 LEU 6 1HD1 LEU 6 5.930 -0.087 -8.965 194 2HD1 LEU 6 2HD1 LEU 6 5.600 -1.268 -10.232 195 3HD1 LEU 6 3HD1 LEU 6 6.886 -0.080 -10.447 196 1HD2 LEU 6 1HD2 LEU 6 2.804 0.644 -11.133 197 2HD2 LEU 6 2HD2 LEU 6 3.774 -0.551 -11.994 198 3HD2 LEU 6 3HD2 LEU 6 3.406 -0.780 -10.285 199 H CYS 7 H CYS 7 6.119 5.328 -10.459 200 HA CYS 7 HA CYS 7 4.066 6.468 -8.606 201 1HB CYS 7 1HB CYS 7 6.723 6.729 -8.160 202 2HB CYS 7 2HB CYS 7 6.463 8.110 -9.226 203 H GLY 8 H GLY 8 3.317 8.655 -9.312 204 1HA GLY 8 1HA GLY 8 2.983 10.326 -11.020 205 2HA GLY 8 2HA GLY 8 3.781 9.262 -12.178 206 H SER 9 H SER 9 2.336 6.892 -11.710 207 HA SER 9 HA SER 9 -0.424 6.942 -11.556 208 1HB SER 9 1HB SER 9 -0.951 8.459 -13.193 209 2HB SER 9 2HB SER 9 0.571 8.220 -14.046 210 HG SER 9 HG SER 9 -1.063 7.337 -15.276 211 H GLU 10 H GLU 10 2.391 5.799 -13.300 212 HA GLU 10 HA GLU 10 1.479 3.549 -14.636 213 1HB GLU 10 1HB GLU 10 3.661 2.446 -13.810 214 2HB GLU 10 2HB GLU 10 3.813 3.960 -14.702 215 1HG GLU 10 1HG GLU 10 3.427 4.657 -11.983 216 2HG GLU 10 2HG GLU 10 4.640 3.379 -12.012 217 H LEU 11 H LEU 11 1.514 4.103 -11.187 218 HA LEU 11 HA LEU 11 1.163 1.328 -10.426 219 1HB LEU 11 1HB LEU 11 1.999 2.962 -8.805 220 2HB LEU 11 2HB LEU 11 0.502 3.887 -8.936 221 HG LEU 11 HG LEU 11 -0.664 1.652 -8.281 222 1HD1 LEU 11 1HD1 LEU 11 2.231 1.151 -7.611 223 2HD1 LEU 11 2HD1 LEU 11 0.947 0.396 -6.666 224 3HD1 LEU 11 3HD1 LEU 11 1.077 0.072 -8.395 225 1HD2 LEU 11 1HD2 LEU 11 0.411 3.837 -6.794 226 2HD2 LEU 11 2HD2 LEU 11 -0.970 2.821 -6.382 227 3HD2 LEU 11 3HD2 LEU 11 0.646 2.376 -5.834 228 H VAL 12 H VAL 12 -1.089 4.081 -10.811 229 HA VAL 12 HA VAL 12 -3.457 2.678 -10.128 230 HB VAL 12 HB VAL 12 -3.105 5.212 -10.615 231 1HG1 VAL 12 1HG1 VAL 12 -2.440 4.475 -13.083 232 2HG1 VAL 12 2HG1 VAL 12 -4.183 4.559 -13.327 233 3HG1 VAL 12 3HG1 VAL 12 -3.299 5.985 -12.787 234 1HG2 VAL 12 1HG2 VAL 12 -5.402 3.448 -10.826 235 2HG2 VAL 12 2HG2 VAL 12 -5.291 5.045 -10.088 236 3HG2 VAL 12 3HG2 VAL 12 -5.620 4.893 -11.814 237 H GLU 13 H GLU 13 -1.643 2.817 -13.163 238 HA GLU 13 HA GLU 13 -3.632 1.457 -14.751 239 1HB GLU 13 1HB GLU 13 -0.946 2.455 -15.110 240 2HB GLU 13 2HB GLU 13 -1.057 0.814 -15.749 241 1HG GLU 13 1HG GLU 13 -1.674 2.361 -17.515 242 2HG GLU 13 2HG GLU 13 -3.125 1.503 -16.995 243 H ALA 14 H ALA 14 -1.116 0.448 -12.547 244 HA ALA 14 HA ALA 14 -1.444 -2.401 -13.260 245 1HB ALA 14 1HB ALA 14 0.686 -0.963 -12.256 246 2HB ALA 14 2HB ALA 14 0.048 -1.736 -10.805 247 3HB ALA 14 3HB ALA 14 0.539 -2.720 -12.183 248 H LEU 15 H LEU 15 -2.987 -0.115 -11.336 249 HA LEU 15 HA LEU 15 -3.713 -1.904 -9.134 250 1HB LEU 15 1HB LEU 15 -4.032 0.928 -9.818 251 2HB LEU 15 2HB LEU 15 -5.478 0.236 -9.087 252 HG LEU 15 HG LEU 15 -2.774 -0.293 -7.885 253 1HD1 LEU 15 1HD1 LEU 15 -3.955 2.288 -8.167 254 2HD1 LEU 15 2HD1 LEU 15 -4.116 1.806 -6.478 255 3HD1 LEU 15 3HD1 LEU 15 -2.524 1.843 -7.237 256 1HD2 LEU 15 1HD2 LEU 15 -5.638 -0.577 -7.155 257 2HD2 LEU 15 2HD2 LEU 15 -4.256 -1.569 -6.691 258 3HD2 LEU 15 3HD2 LEU 15 -4.567 -0.046 -5.858 259 H GLU 16 H GLU 16 -5.187 -0.678 -12.117 260 HA GLU 16 HA GLU 16 -7.765 -1.927 -11.581 261 1HB GLU 16 1HB GLU 16 -8.249 -1.342 -13.954 262 2HB GLU 16 2HB GLU 16 -7.642 0.037 -13.037 263 1HG GLU 16 1HG GLU 16 -5.565 -0.002 -14.092 264 2HG GLU 16 2HG GLU 16 -5.698 -1.712 -14.511 265 H LEU 17 H LEU 17 -4.820 -3.255 -12.247 266 HA LEU 17 HA LEU 17 -5.886 -5.361 -14.050 267 1HB LEU 17 1HB LEU 17 -3.246 -4.247 -13.472 268 2HB LEU 17 2HB LEU 17 -3.253 -6.011 -13.452 269 HG LEU 17 HG LEU 17 -4.380 -4.302 -15.688 270 1HD1 LEU 17 1HD1 LEU 17 -1.690 -4.987 -15.068 271 2HD1 LEU 17 2HD1 LEU 17 -2.174 -5.981 -16.443 272 3HD1 LEU 17 3HD1 LEU 17 -2.298 -4.224 -16.537 273 1HD2 LEU 17 1HD2 LEU 17 -5.005 -6.902 -14.980 274 2HD2 LEU 17 2HD2 LEU 17 -5.180 -6.222 -16.598 275 3HD2 LEU 17 3HD2 LEU 17 -3.727 -7.127 -16.174 276 H VAL 18 H VAL 18 -4.715 -4.876 -10.759 277 HA VAL 18 HA VAL 18 -4.727 -7.719 -10.129 278 HB VAL 18 HB VAL 18 -4.895 -6.499 -7.698 279 1HG1 VAL 18 1HG1 VAL 18 -3.055 -7.933 -9.086 280 2HG1 VAL 18 2HG1 VAL 18 -2.214 -6.391 -8.932 281 3HG1 VAL 18 3HG1 VAL 18 -2.754 -7.247 -7.488 282 1HG2 VAL 18 1HG2 VAL 18 -4.992 -4.261 -8.889 283 2HG2 VAL 18 2HG2 VAL 18 -3.697 -4.424 -7.703 284 3HG2 VAL 18 3HG2 VAL 18 -3.340 -4.568 -9.424 285 H CYS 19 H CYS 19 -6.811 -4.977 -9.126 286 HA CYS 19 HA CYS 19 -8.790 -6.612 -7.879 287 1HB CYS 19 1HB CYS 19 -8.561 -4.103 -7.649 288 2HB CYS 19 2HB CYS 19 -9.274 -3.955 -9.256 289 H GLY 20 H GLY 20 -9.323 -4.826 -10.932 290 1HA GLY 20 1HA GLY 20 -9.773 -6.403 -12.936 291 2HA GLY 20 2HA GLY 20 -10.942 -7.159 -11.853 292 H GLU 21 H GLU 21 -12.942 -6.566 -12.539 293 HA GLU 21 HA GLU 21 -13.349 -3.787 -13.520 294 1HB GLU 21 1HB GLU 21 -15.580 -4.696 -14.271 295 2HB GLU 21 2HB GLU 21 -14.192 -5.489 -15.017 296 1HG GLU 21 1HG GLU 21 -14.656 -7.478 -14.034 297 2HG GLU 21 2HG GLU 21 -15.014 -6.721 -12.481 298 H ARG 22 H ARG 22 -13.070 -4.596 -10.626 299 HA ARG 22 HA ARG 22 -15.804 -3.951 -9.636 300 1HB ARG 22 1HB ARG 22 -13.358 -4.748 -8.032 301 2HB ARG 22 2HB ARG 22 -15.028 -4.685 -7.465 302 1HG ARG 22 1HG ARG 22 -13.977 -6.520 -9.640 303 2HG ARG 22 2HG ARG 22 -14.367 -7.004 -7.989 304 1HD ARG 22 1HD ARG 22 -16.635 -5.620 -8.932 305 2HD ARG 22 2HD ARG 22 -16.140 -6.683 -10.250 306 HE ARG 22 HE ARG 22 -16.042 -8.318 -8.021 307 1HH1 ARG 22 1HH1 ARG 22 -18.367 -6.213 -9.467 308 2HH1 ARG 22 2HH1 ARG 22 -19.728 -7.139 -8.931 309 1HH2 ARG 22 1HH2 ARG 22 -17.809 -9.531 -7.317 310 2HH2 ARG 22 2HH2 ARG 22 -19.413 -9.014 -7.715 311 H GLY 23 H GLY 23 -12.412 -2.952 -9.032 312 1HA GLY 23 1HA GLY 23 -12.160 -0.393 -9.343 313 2HA GLY 23 2HA GLY 23 -13.480 -0.295 -8.178 314 H PHE 24 H PHE 24 -10.990 0.884 -7.635 315 HA PHE 24 HA PHE 24 -10.207 -0.700 -5.254 316 1HB PHE 24 1HB PHE 24 -7.756 0.000 -5.843 317 2HB PHE 24 2HB PHE 24 -8.454 -1.408 -6.642 318 HD1 PHE 24 HD1 PHE 24 -9.523 -1.103 -8.940 319 HD2 PHE 24 HD2 PHE 24 -7.053 1.886 -7.091 320 HE1 PHE 24 HE1 PHE 24 -9.176 -0.025 -11.147 321 HE2 PHE 24 HE2 PHE 24 -6.705 2.963 -9.298 322 HZ PHE 24 HZ PHE 24 -7.767 2.007 -11.326 323 H PHE 25 H PHE 25 -8.206 0.921 -4.283 324 HA PHE 25 HA PHE 25 -9.573 3.578 -4.094 325 1HB PHE 25 1HB PHE 25 -9.577 2.029 -2.030 326 2HB PHE 25 2HB PHE 25 -7.850 2.376 -1.924 327 HD1 PHE 25 HD1 PHE 25 -11.127 4.155 -2.347 328 HD2 PHE 25 HD2 PHE 25 -7.157 4.248 -0.710 329 HE1 PHE 25 HE1 PHE 25 -11.630 6.320 -1.247 330 HE2 PHE 25 HE2 PHE 25 -7.661 6.413 0.390 331 HZ PHE 25 HZ PHE 25 -9.897 7.449 0.121 332 H TYR 26 H TYR 26 -8.181 5.427 -3.865 333 HA TYR 26 HA TYR 26 -5.296 5.180 -3.964 334 1HB TYR 26 1HB TYR 26 -6.281 4.627 -6.366 335 2HB TYR 26 2HB TYR 26 -6.409 6.382 -6.472 336 HD1 TYR 26 HD1 TYR 26 -4.082 7.278 -4.903 337 HD2 TYR 26 HD2 TYR 26 -4.437 4.051 -7.716 338 HE1 TYR 26 HE1 TYR 26 -1.654 7.426 -5.377 339 HE2 TYR 26 HE2 TYR 26 -2.008 4.200 -8.191 340 HH TYR 26 HH TYR 26 -0.213 6.260 -7.963 341 H GLU 27 H GLU 27 -4.799 6.911 -2.708 342 HA GLU 27 HA GLU 27 -6.531 9.162 -2.343 343 1HB GLU 27 1HB GLU 27 -3.641 8.628 -1.667 344 2HB GLU 27 2HB GLU 27 -4.380 10.195 -1.339 345 1HG GLU 27 1HG GLU 27 -5.518 9.393 0.439 346 2HG GLU 27 2HG GLU 27 -6.066 7.976 -0.459 347 HA PRO 28 HA PRO 28 -5.595 11.313 -6.130 348 1HB PRO 28 1HB PRO 28 -6.659 13.739 -5.017 349 2HB PRO 28 2HB PRO 28 -7.428 12.647 -6.178 350 1HG PRO 28 1HG PRO 28 -8.088 13.011 -3.401 351 2HG PRO 28 2HG PRO 28 -8.850 11.919 -4.566 352 1HD PRO 28 1HD PRO 28 -7.108 11.231 -2.380 353 2HD PRO 28 2HD PRO 28 -7.875 10.141 -3.549 354 H LYS 29 H LYS 29 -4.591 12.191 -2.923 355 HA LYS 29 HA LYS 29 -2.756 14.292 -3.893 356 1HB LYS 29 1HB LYS 29 -2.164 14.551 -1.517 357 2HB LYS 29 2HB LYS 29 -3.916 14.585 -1.722 358 1HG LYS 29 1HG LYS 29 -4.130 12.308 -0.984 359 2HG LYS 29 2HG LYS 29 -2.383 12.068 -1.033 360 1HD LYS 29 1HD LYS 29 -2.515 14.199 0.638 361 2HD LYS 29 2HD LYS 29 -4.048 13.413 1.019 362 1HE LYS 29 1HE LYS 29 -2.662 12.265 2.469 363 2HE LYS 29 2HE LYS 29 -2.515 11.235 1.044 364 1HZ LYS 29 1HZ LYS 29 -0.592 12.817 0.445 365 2HZ LYS 29 2HZ LYS 29 -0.615 13.226 2.094 366 3HZ LYS 29 3HZ LYS 29 -0.332 11.621 1.623 Start of MODEL 25 1 1H GLY 1 1H GLY 1 1.908 2.922 2.457 2 2H GLY 1 2H GLY 1 2.194 2.276 4.002 3 3H GLY 1 3H GLY 1 2.943 1.591 2.639 4 1HA GLY 1 1HA GLY 1 1.130 0.191 3.327 5 2HA GLY 1 2HA GLY 1 0.037 1.574 3.244 6 H ILE 2 H ILE 2 0.264 2.769 0.987 7 HA ILE 2 HA ILE 2 0.339 0.667 -1.141 8 HB ILE 2 HB ILE 2 -1.980 1.318 -0.672 9 1HG1 ILE 2 1HG1 ILE 2 -0.949 2.593 -3.227 10 2HG1 ILE 2 2HG1 ILE 2 -1.286 0.874 -3.022 11 1HG2 ILE 2 1HG2 ILE 2 -1.309 3.588 0.249 12 2HG2 ILE 2 2HG2 ILE 2 -1.158 4.133 -1.421 13 3HG2 ILE 2 3HG2 ILE 2 -2.722 3.596 -0.807 14 1HD1 ILE 2 1HD1 ILE 2 -3.507 2.616 -2.196 15 2HD1 ILE 2 2HD1 ILE 2 -3.111 2.738 -3.909 16 3HD1 ILE 2 3HD1 ILE 2 -3.527 1.173 -3.210 17 H VAL 3 H VAL 3 0.715 4.124 -0.401 18 HA VAL 3 HA VAL 3 2.080 4.553 -2.986 19 HB VAL 3 HB VAL 3 0.970 6.282 -0.820 20 1HG1 VAL 3 1HG1 VAL 3 3.368 6.994 -0.957 21 2HG1 VAL 3 2HG1 VAL 3 3.152 7.269 -2.688 22 3HG1 VAL 3 3HG1 VAL 3 2.253 8.240 -1.523 23 1HG2 VAL 3 1HG2 VAL 3 0.930 6.090 -3.812 24 2HG2 VAL 3 2HG2 VAL 3 -0.420 6.186 -2.682 25 3HG2 VAL 3 3HG2 VAL 3 0.528 7.628 -3.048 26 H GLU 4 H GLU 4 2.842 4.635 0.497 27 HA GLU 4 HA GLU 4 5.620 5.283 0.015 28 1HB GLU 4 1HB GLU 4 4.570 3.927 2.483 29 2HB GLU 4 2HB GLU 4 5.926 5.041 2.352 30 1HG GLU 4 1HG GLU 4 4.298 6.833 1.674 31 2HG GLU 4 2HG GLU 4 2.987 5.706 2.024 32 H GLN 5 H GLN 5 3.830 2.474 -0.434 33 HA GLN 5 HA GLN 5 6.117 0.675 0.127 34 1HB GLN 5 1HB GLN 5 3.471 0.267 0.492 35 2HB GLN 5 2HB GLN 5 3.645 -0.381 -1.141 36 1HG GLN 5 1HG GLN 5 5.330 -1.936 -0.441 37 2HG GLN 5 2HG GLN 5 5.481 -1.160 1.135 38 1HE2 GLN 5 2HE2 GLN 5 4.631 -4.003 0.366 39 2HE2 GLN 5 1HE2 GLN 5 3.141 -4.220 1.149 40 H CYS 6 H CYS 6 4.386 2.134 -2.568 41 HA CYS 6 HA CYS 6 6.166 0.605 -4.425 42 1HB CYS 6 1HB CYS 6 3.361 1.470 -4.578 43 2HB CYS 6 2HB CYS 6 4.298 1.848 -6.025 44 H CYS 7 H CYS 7 4.737 3.863 -3.970 45 HA CYS 7 HA CYS 7 6.416 5.134 -5.889 46 1HB CYS 7 1HB CYS 7 4.480 6.318 -5.063 47 2HB CYS 7 2HB CYS 7 5.076 6.237 -3.406 48 H HIS 8 H HIS 8 6.989 4.223 -2.521 49 HA HIS 8 HA HIS 8 9.495 5.771 -2.442 50 1HB HIS 8 1HB HIS 8 8.386 3.763 -0.459 51 2HB HIS 8 2HB HIS 8 9.757 4.832 -0.185 52 HD1 HIS 8 HD1 HIS 8 7.287 6.638 -2.108 53 HD2 HIS 8 HD2 HIS 8 7.784 5.758 1.933 54 HE1 HIS 8 HE1 HIS 8 5.795 8.232 -0.832 55 H SER 9 H SER 9 8.485 2.389 -2.798 56 HA SER 9 HA SER 9 11.285 1.761 -3.630 57 1HB SER 9 1HB SER 9 11.205 -0.353 -2.435 58 2HB SER 9 2HB SER 9 10.834 0.938 -1.296 59 HG SER 9 HG SER 9 9.385 -0.908 -1.245 60 H ILE 10 H ILE 10 10.264 -1.123 -3.911 61 HA ILE 10 HA ILE 10 8.484 -0.682 -6.271 62 HB ILE 10 HB ILE 10 10.812 -2.620 -6.222 63 1HG1 ILE 10 1HG1 ILE 10 11.114 -0.477 -8.113 64 2HG1 ILE 10 2HG1 ILE 10 10.852 0.213 -6.510 65 1HG2 ILE 10 1HG2 ILE 10 8.585 -2.016 -8.055 66 2HG2 ILE 10 2HG2 ILE 10 10.167 -2.044 -8.835 67 3HG2 ILE 10 3HG2 ILE 10 9.595 -3.458 -7.950 68 1HD1 ILE 10 1HD1 ILE 10 12.633 -2.026 -6.272 69 2HD1 ILE 10 2HD1 ILE 10 13.238 -0.948 -7.531 70 3HD1 ILE 10 3HD1 ILE 10 12.947 -0.331 -5.904 71 H CYS 11 H CYS 11 6.683 -1.916 -6.097 72 HA CYS 11 HA CYS 11 6.750 -4.242 -4.235 73 1HB CYS 11 1HB CYS 11 4.182 -3.365 -5.460 74 2HB CYS 11 2HB CYS 11 4.518 -3.885 -3.811 75 H SER 12 H SER 12 4.923 -5.938 -5.113 76 HA SER 12 HA SER 12 5.900 -6.689 -7.829 77 1HB SER 12 1HB SER 12 4.522 -8.872 -6.909 78 2HB SER 12 2HB SER 12 6.254 -8.630 -6.696 79 HG SER 12 HG SER 12 5.715 -8.761 -4.656 80 H LEU 13 H LEU 13 2.878 -7.399 -6.059 81 HA LEU 13 HA LEU 13 1.158 -5.812 -7.667 82 1HB LEU 13 1HB LEU 13 2.114 -8.189 -8.982 83 2HB LEU 13 2HB LEU 13 0.379 -8.340 -8.691 84 HG LEU 13 HG LEU 13 1.609 -5.845 -9.875 85 1HD1 LEU 13 1HD1 LEU 13 0.531 -8.315 -11.262 86 2HD1 LEU 13 2HD1 LEU 13 0.756 -6.764 -12.070 87 3HD1 LEU 13 3HD1 LEU 13 2.147 -7.626 -11.415 88 1HD2 LEU 13 1HD2 LEU 13 -0.782 -6.044 -8.783 89 2HD2 LEU 13 2HD2 LEU 13 -0.593 -5.200 -10.321 90 3HD2 LEU 13 3HD2 LEU 13 -1.190 -6.861 -10.292 91 H TYR 14 H TYR 14 1.600 -8.802 -5.846 92 HA TYR 14 HA TYR 14 -1.159 -9.192 -5.153 93 1HB TYR 14 1HB TYR 14 1.470 -10.190 -4.194 94 2HB TYR 14 2HB TYR 14 0.142 -10.271 -3.036 95 HD1 TYR 14 HD1 TYR 14 -0.374 -10.425 -6.685 96 HD2 TYR 14 HD2 TYR 14 -0.044 -12.698 -3.056 97 HE1 TYR 14 HE1 TYR 14 -1.275 -12.419 -7.852 98 HE2 TYR 14 HE2 TYR 14 -0.945 -14.692 -4.223 99 HH TYR 14 HH TYR 14 -2.124 -14.496 -7.554 100 H GLN 15 H GLN 15 1.263 -6.971 -4.045 101 HA GLN 15 HA GLN 15 0.032 -6.403 -1.473 102 1HB GLN 15 1HB GLN 15 1.695 -4.348 -2.867 103 2HB GLN 15 2HB GLN 15 1.730 -4.862 -1.182 104 1HG GLN 15 1HG GLN 15 2.919 -6.260 -3.582 105 2HG GLN 15 2HG GLN 15 3.739 -5.717 -2.119 106 1HE2 GLN 15 2HE2 GLN 15 3.529 -8.512 -3.289 107 2HE2 GLN 15 1HE2 GLN 15 2.883 -9.460 -2.038 108 H LEU 16 H LEU 16 -0.346 -5.215 -4.757 109 HA LEU 16 HA LEU 16 -2.044 -2.967 -3.887 110 1HB LEU 16 1HB LEU 16 -1.524 -4.005 -6.688 111 2HB LEU 16 2HB LEU 16 -2.191 -2.431 -6.252 112 HG LEU 16 HG LEU 16 0.469 -3.219 -5.121 113 1HD1 LEU 16 1HD1 LEU 16 -0.060 -3.202 -7.911 114 2HD1 LEU 16 2HD1 LEU 16 0.814 -1.715 -7.549 115 3HD1 LEU 16 3HD1 LEU 16 1.511 -3.276 -7.115 116 1HD2 LEU 16 1HD2 LEU 16 -0.978 -1.069 -4.675 117 2HD2 LEU 16 2HD2 LEU 16 0.763 -0.907 -4.910 118 3HD2 LEU 16 3HD2 LEU 16 -0.343 -0.547 -6.236 119 H GLU 17 H GLU 17 -2.579 -6.138 -3.865 120 HA GLU 17 HA GLU 17 -5.178 -6.154 -5.273 121 1HB GLU 17 1HB GLU 17 -3.317 -8.110 -4.853 122 2HB GLU 17 2HB GLU 17 -4.451 -8.442 -3.543 123 1HG GLU 17 1HG GLU 17 -6.096 -7.933 -5.734 124 2HG GLU 17 2HG GLU 17 -4.768 -8.876 -6.410 125 H ASN 18 H ASN 18 -3.912 -5.643 -2.099 126 HA ASN 18 HA ASN 18 -6.462 -6.247 -0.758 127 1HB ASN 18 1HB ASN 18 -4.436 -4.689 0.723 128 2HB ASN 18 2HB ASN 18 -5.280 -6.165 1.187 129 1HD2 ASN 18 2HD2 ASN 18 -4.521 -7.873 -0.959 130 2HD2 ASN 18 1HD2 ASN 18 -2.842 -8.119 -0.895 131 H TYR 19 H TYR 19 -5.148 -3.654 -2.481 132 HA TYR 19 HA TYR 19 -6.620 -1.594 -0.950 133 1HB TYR 19 1HB TYR 19 -5.137 -1.192 -3.551 134 2HB TYR 19 2HB TYR 19 -5.504 0.005 -2.308 135 HD1 TYR 19 HD1 TYR 19 -4.840 -2.052 0.005 136 HD2 TYR 19 HD2 TYR 19 -2.726 -0.675 -3.472 137 HE1 TYR 19 HE1 TYR 19 -2.680 -2.543 1.122 138 HE2 TYR 19 HE2 TYR 19 -0.568 -1.163 -2.355 139 HH TYR 19 HH TYR 19 -0.450 -2.246 1.019 140 H CYS 20 H CYS 20 -7.536 -3.889 -3.065 141 HA CYS 20 HA CYS 20 -9.180 -2.198 -4.835 142 1HB CYS 20 1HB CYS 20 -8.272 -4.179 -5.855 143 2HB CYS 20 2HB CYS 20 -8.855 -5.196 -4.538 144 H ASN 21 H ASN 21 -11.449 -2.048 -4.688 145 HA ASN 21 HA ASN 21 -12.599 -2.210 -2.074 146 1HB ASN 21 1HB ASN 21 -13.857 -1.966 -4.821 147 2HB ASN 21 2HB ASN 21 -14.782 -1.876 -3.322 148 1HD2 ASN 21 2HD2 ASN 21 -13.529 0.122 -5.570 149 2HD2 ASN 21 1HD2 ASN 21 -13.103 1.453 -4.607 150 1H GLU 1 1H GLU 1 5.273 -4.352 -16.336 151 2H GLU 1 2H GLU 1 4.930 -5.782 -17.180 152 3H GLU 1 3H GLU 1 5.240 -5.837 -15.511 153 HA GLU 1 HA GLU 1 7.353 -6.254 -15.970 154 1HB GLU 1 1HB GLU 1 6.446 -6.927 -18.257 155 2HB GLU 1 2HB GLU 1 6.914 -5.321 -18.816 156 1HG GLU 1 1HG GLU 1 8.944 -6.938 -17.333 157 2HG GLU 1 2HG GLU 1 8.590 -7.380 -19.003 158 H VAL 2 H VAL 2 8.396 -4.690 -14.773 159 HA VAL 2 HA VAL 2 9.877 -2.640 -16.003 160 HB VAL 2 HB VAL 2 7.872 -1.444 -16.523 161 1HG1 VAL 2 1HG1 VAL 2 7.074 -2.093 -13.674 162 2HG1 VAL 2 2HG1 VAL 2 6.219 -0.915 -14.670 163 3HG1 VAL 2 3HG1 VAL 2 6.272 -2.608 -15.158 164 1HG2 VAL 2 1HG2 VAL 2 9.735 -0.142 -15.409 165 2HG2 VAL 2 2HG2 VAL 2 8.140 0.592 -15.246 166 3HG2 VAL 2 3HG2 VAL 2 8.846 -0.290 -13.892 167 H ASN 3 H ASN 3 11.528 -2.732 -14.556 168 HA ASN 3 HA ASN 3 10.920 -3.073 -11.679 169 1HB ASN 3 1HB ASN 3 13.355 -3.375 -13.399 170 2HB ASN 3 2HB ASN 3 13.573 -3.065 -11.676 171 1HD2 ASN 3 2HD2 ASN 3 11.487 -5.171 -13.750 172 2HD2 ASN 3 1HD2 ASN 3 11.638 -6.540 -12.758 173 H GLN 4 H GLN 4 10.203 -1.024 -11.013 174 HA GLN 4 HA GLN 4 12.256 0.935 -10.474 175 1HB GLN 4 1HB GLN 4 11.975 1.574 -12.781 176 2HB GLN 4 2HB GLN 4 10.219 1.542 -12.628 177 1HG GLN 4 1HG GLN 4 10.911 3.852 -12.517 178 2HG GLN 4 2HG GLN 4 10.418 3.366 -10.896 179 1HE2 GLN 4 2HE2 GLN 4 12.493 5.426 -11.898 180 2HE2 GLN 4 1HE2 GLN 4 13.902 5.031 -11.038 181 H HIS 5 H HIS 5 11.435 2.656 -9.100 182 HA HIS 5 HA HIS 5 9.366 1.846 -7.330 183 1HB HIS 5 1HB HIS 5 10.051 4.751 -7.668 184 2HB HIS 5 2HB HIS 5 9.745 3.846 -6.186 185 HD1 HIS 5 HD1 HIS 5 11.679 2.132 -5.448 186 HD2 HIS 5 HD2 HIS 5 12.736 4.852 -8.425 187 HE1 HIS 5 HE1 HIS 5 14.208 2.107 -5.578 188 H LEU 6 H LEU 6 7.395 1.429 -8.344 189 HA LEU 6 HA LEU 6 6.206 3.015 -10.378 190 1HB LEU 6 1HB LEU 6 5.147 1.072 -8.347 191 2HB LEU 6 2HB LEU 6 4.011 2.024 -9.302 192 HG LEU 6 HG LEU 6 5.131 1.220 -11.378 193 1HD1 LEU 6 1HD1 LEU 6 6.866 -0.088 -9.324 194 2HD1 LEU 6 2HD1 LEU 6 6.538 -0.978 -10.811 195 3HD1 LEU 6 3HD1 LEU 6 7.305 0.608 -10.884 196 1HD2 LEU 6 1HD2 LEU 6 3.537 -0.318 -9.513 197 2HD2 LEU 6 2HD2 LEU 6 3.467 -0.306 -11.276 198 3HD2 LEU 6 3HD2 LEU 6 4.579 -1.394 -10.444 199 H CYS 7 H CYS 7 6.474 5.249 -9.749 200 HA CYS 7 HA CYS 7 4.602 6.085 -7.568 201 1HB CYS 7 1HB CYS 7 7.054 6.436 -7.032 202 2HB CYS 7 2HB CYS 7 7.116 7.564 -8.385 203 H GLY 8 H GLY 8 2.953 7.309 -8.329 204 1HA GLY 8 1HA GLY 8 2.364 9.410 -9.570 205 2HA GLY 8 2HA GLY 8 3.403 8.825 -10.871 206 H SER 9 H SER 9 2.334 7.869 -12.522 207 HA SER 9 HA SER 9 -0.428 6.878 -12.020 208 1HB SER 9 1HB SER 9 1.027 7.444 -14.620 209 2HB SER 9 2HB SER 9 -0.655 6.938 -14.484 210 HG SER 9 HG SER 9 0.536 9.308 -13.467 211 H GLU 10 H GLU 10 2.781 5.824 -12.901 212 HA GLU 10 HA GLU 10 2.241 3.349 -14.130 213 1HB GLU 10 1HB GLU 10 4.410 2.598 -13.069 214 2HB GLU 10 2HB GLU 10 4.521 4.125 -13.942 215 1HG GLU 10 1HG GLU 10 3.903 5.146 -11.576 216 2HG GLU 10 2HG GLU 10 4.573 3.624 -10.992 217 H LEU 11 H LEU 11 2.087 4.263 -10.720 218 HA LEU 11 HA LEU 11 1.730 1.554 -9.752 219 1HB LEU 11 1HB LEU 11 2.544 3.269 -8.236 220 2HB LEU 11 2HB LEU 11 1.092 4.238 -8.495 221 HG LEU 11 HG LEU 11 -0.228 2.216 -7.640 222 1HD1 LEU 11 1HD1 LEU 11 2.607 1.385 -7.072 223 2HD1 LEU 11 2HD1 LEU 11 1.303 0.859 -6.007 224 3HD1 LEU 11 3HD1 LEU 11 1.278 0.421 -7.715 225 1HD2 LEU 11 1HD2 LEU 11 0.899 4.374 -6.337 226 2HD2 LEU 11 2HD2 LEU 11 -0.276 3.267 -5.626 227 3HD2 LEU 11 3HD2 LEU 11 1.448 3.013 -5.357 228 H VAL 12 H VAL 12 -0.524 4.260 -10.379 229 HA VAL 12 HA VAL 12 -2.888 2.844 -9.633 230 HB VAL 12 HB VAL 12 -2.631 5.358 -10.078 231 1HG1 VAL 12 1HG1 VAL 12 -2.051 4.359 -12.678 232 2HG1 VAL 12 2HG1 VAL 12 -3.583 5.221 -12.781 233 3HG1 VAL 12 3HG1 VAL 12 -2.150 6.041 -12.165 234 1HG2 VAL 12 1HG2 VAL 12 -4.873 3.552 -10.764 235 2HG2 VAL 12 2HG2 VAL 12 -4.833 4.927 -9.660 236 3HG2 VAL 12 3HG2 VAL 12 -5.014 5.194 -11.394 237 H GLU 13 H GLU 13 -0.875 2.661 -12.449 238 HA GLU 13 HA GLU 13 -2.874 1.501 -14.210 239 1HB GLU 13 1HB GLU 13 -0.741 2.622 -14.981 240 2HB GLU 13 2HB GLU 13 0.139 1.215 -14.382 241 1HG GLU 13 1HG GLU 13 -0.314 0.119 -16.292 242 2HG GLU 13 2HG GLU 13 -2.040 0.265 -15.960 243 H ALA 14 H ALA 14 -0.644 0.298 -11.792 244 HA ALA 14 HA ALA 14 -1.273 -2.510 -12.535 245 1HB ALA 14 1HB ALA 14 0.942 -1.166 -11.212 246 2HB ALA 14 2HB ALA 14 0.330 -2.499 -10.233 247 3HB ALA 14 3HB ALA 14 0.870 -2.794 -11.885 248 H LEU 15 H LEU 15 -2.306 -0.040 -10.438 249 HA LEU 15 HA LEU 15 -3.199 -1.739 -8.247 250 1HB LEU 15 1HB LEU 15 -3.267 1.121 -8.940 251 2HB LEU 15 2HB LEU 15 -4.712 0.563 -8.094 252 HG LEU 15 HG LEU 15 -1.894 -0.015 -7.148 253 1HD1 LEU 15 1HD1 LEU 15 -3.199 2.464 -7.132 254 2HD1 LEU 15 2HD1 LEU 15 -3.449 1.815 -5.510 255 3HD1 LEU 15 3HD1 LEU 15 -1.813 2.000 -6.143 256 1HD2 LEU 15 1HD2 LEU 15 -4.102 -1.371 -6.516 257 2HD2 LEU 15 2HD2 LEU 15 -2.885 -0.995 -5.297 258 3HD2 LEU 15 3HD2 LEU 15 -4.339 -0.007 -5.424 259 H GLU 16 H GLU 16 -4.490 -0.619 -11.291 260 HA GLU 16 HA GLU 16 -7.219 -1.529 -10.626 261 1HB GLU 16 1HB GLU 16 -7.786 -0.734 -12.879 262 2HB GLU 16 2HB GLU 16 -6.870 0.507 -12.022 263 1HG GLU 16 1HG GLU 16 -4.844 -0.074 -13.182 264 2HG GLU 16 2HG GLU 16 -5.592 -1.509 -13.883 265 H LEU 17 H LEU 17 -4.323 -2.789 -11.963 266 HA LEU 17 HA LEU 17 -5.574 -4.790 -13.673 267 1HB LEU 17 1HB LEU 17 -2.969 -3.821 -13.284 268 2HB LEU 17 2HB LEU 17 -2.913 -5.495 -12.730 269 HG LEU 17 HG LEU 17 -4.322 -4.877 -15.301 270 1HD1 LEU 17 1HD1 LEU 17 -2.026 -3.734 -15.263 271 2HD1 LEU 17 2HD1 LEU 17 -1.340 -5.356 -15.164 272 3HD1 LEU 17 3HD1 LEU 17 -2.302 -4.891 -16.567 273 1HD2 LEU 17 1HD2 LEU 17 -3.883 -7.166 -13.886 274 2HD2 LEU 17 2HD2 LEU 17 -4.120 -7.129 -15.633 275 3HD2 LEU 17 3HD2 LEU 17 -2.488 -7.180 -14.965 276 H VAL 18 H VAL 18 -4.878 -4.476 -10.304 277 HA VAL 18 HA VAL 18 -5.205 -7.395 -9.880 278 HB VAL 18 HB VAL 18 -4.962 -6.243 -7.377 279 1HG1 VAL 18 1HG1 VAL 18 -2.980 -7.434 -9.310 280 2HG1 VAL 18 2HG1 VAL 18 -2.508 -6.990 -7.670 281 3HG1 VAL 18 3HG1 VAL 18 -3.760 -8.205 -7.929 282 1HG2 VAL 18 1HG2 VAL 18 -4.452 -4.053 -8.522 283 2HG2 VAL 18 2HG2 VAL 18 -3.158 -4.637 -7.477 284 3HG2 VAL 18 3HG2 VAL 18 -3.030 -4.822 -9.225 285 H CYS 19 H CYS 19 -6.787 -4.303 -9.300 286 HA CYS 19 HA CYS 19 -8.912 -5.462 -7.668 287 1HB CYS 19 1HB CYS 19 -8.199 -3.045 -7.554 288 2HB CYS 19 2HB CYS 19 -8.905 -2.818 -9.154 289 H GLY 20 H GLY 20 -8.789 -4.111 -10.983 290 1HA GLY 20 1HA GLY 20 -9.786 -5.490 -12.810 291 2HA GLY 20 2HA GLY 20 -11.052 -5.942 -11.667 292 H GLU 21 H GLU 21 -12.763 -5.072 -12.921 293 HA GLU 21 HA GLU 21 -12.642 -2.218 -13.667 294 1HB GLU 21 1HB GLU 21 -14.999 -2.717 -14.526 295 2HB GLU 21 2HB GLU 21 -13.689 -3.601 -15.310 296 1HG GLU 21 1HG GLU 21 -14.161 -5.590 -14.081 297 2HG GLU 21 2HG GLU 21 -15.215 -4.732 -12.956 298 H ARG 22 H ARG 22 -12.767 -3.268 -10.803 299 HA ARG 22 HA ARG 22 -15.372 -2.155 -9.924 300 1HB ARG 22 1HB ARG 22 -13.204 -3.244 -8.125 301 2HB ARG 22 2HB ARG 22 -14.941 -3.163 -7.825 302 1HG ARG 22 1HG ARG 22 -14.617 -4.656 -10.207 303 2HG ARG 22 2HG ARG 22 -13.426 -5.279 -9.064 304 1HD ARG 22 1HD ARG 22 -15.234 -5.479 -7.353 305 2HD ARG 22 2HD ARG 22 -16.403 -4.974 -8.573 306 HE ARG 22 HE ARG 22 -15.115 -7.124 -9.748 307 1HH1 ARG 22 1HH1 ARG 22 -16.733 -6.507 -6.759 308 2HH1 ARG 22 2HH1 ARG 22 -17.282 -8.139 -6.572 309 1HH2 ARG 22 1HH2 ARG 22 -15.824 -9.254 -9.512 310 2HH2 ARG 22 2HH2 ARG 22 -16.768 -9.692 -8.129 311 H GLY 23 H GLY 23 -11.888 -1.710 -9.223 312 1HA GLY 23 1HA GLY 23 -11.032 0.641 -9.326 313 2HA GLY 23 2HA GLY 23 -12.532 1.130 -8.535 314 H PHE 24 H PHE 24 -9.923 1.687 -7.499 315 HA PHE 24 HA PHE 24 -10.051 0.092 -4.976 316 1HB PHE 24 1HB PHE 24 -7.461 0.741 -4.965 317 2HB PHE 24 2HB PHE 24 -8.038 -0.718 -5.768 318 HD1 PHE 24 HD1 PHE 24 -8.661 -0.537 -8.269 319 HD2 PHE 24 HD2 PHE 24 -6.320 2.401 -6.186 320 HE1 PHE 24 HE1 PHE 24 -7.791 0.302 -10.430 321 HE2 PHE 24 HE2 PHE 24 -5.447 3.241 -8.352 322 HZ PHE 24 HZ PHE 24 -6.183 2.191 -10.474 323 H PHE 25 H PHE 25 -8.341 1.497 -3.407 324 HA PHE 25 HA PHE 25 -9.745 4.086 -3.158 325 1HB PHE 25 1HB PHE 25 -8.032 2.400 -1.366 326 2HB PHE 25 2HB PHE 25 -8.177 4.124 -1.025 327 HD1 PHE 25 HD1 PHE 25 -10.693 5.052 -1.219 328 HD2 PHE 25 HD2 PHE 25 -9.600 0.979 -0.396 329 HE1 PHE 25 HE1 PHE 25 -12.916 4.662 -0.192 330 HE2 PHE 25 HE2 PHE 25 -11.825 0.591 0.631 331 HZ PHE 25 HZ PHE 25 -13.482 2.432 0.733 332 H TYR 26 H TYR 26 -8.304 4.361 -5.364 333 HA TYR 26 HA TYR 26 -6.247 6.299 -4.588 334 1HB TYR 26 1HB TYR 26 -5.210 3.893 -4.745 335 2HB TYR 26 2HB TYR 26 -5.347 4.148 -6.485 336 HD1 TYR 26 HD1 TYR 26 -4.582 6.542 -3.707 337 HD2 TYR 26 HD2 TYR 26 -3.190 4.618 -7.289 338 HE1 TYR 26 HE1 TYR 26 -2.535 7.940 -3.663 339 HE2 TYR 26 HE2 TYR 26 -1.143 6.018 -7.242 340 HH TYR 26 HH TYR 26 -0.839 8.767 -5.409 341 H GLU 27 H GLU 27 -8.841 5.926 -6.236 342 HA GLU 27 HA GLU 27 -7.895 6.677 -8.927 343 1HB GLU 27 1HB GLU 27 -10.363 5.656 -7.789 344 2HB GLU 27 2HB GLU 27 -10.662 7.042 -8.839 345 1HG GLU 27 1HG GLU 27 -10.572 5.500 -10.512 346 2HG GLU 27 2HG GLU 27 -8.826 5.659 -10.315 347 HA PRO 28 HA PRO 28 -10.232 10.736 -7.796 348 1HB PRO 28 1HB PRO 28 -10.987 10.897 -5.094 349 2HB PRO 28 2HB PRO 28 -12.070 10.590 -6.460 350 1HG PRO 28 1HG PRO 28 -11.102 8.724 -4.414 351 2HG PRO 28 2HG PRO 28 -12.454 8.538 -5.542 352 1HD PRO 28 1HD PRO 28 -9.943 7.253 -5.703 353 2HD PRO 28 2HD PRO 28 -11.189 7.293 -6.962 354 H LYS 29 H LYS 29 -8.082 11.567 -7.918 355 HA LYS 29 HA LYS 29 -6.974 12.375 -5.293 356 1HB LYS 29 1HB LYS 29 -4.665 11.779 -6.679 357 2HB LYS 29 2HB LYS 29 -5.381 10.766 -5.427 358 1HG LYS 29 1HG LYS 29 -6.636 9.515 -7.129 359 2HG LYS 29 2HG LYS 29 -5.977 10.553 -8.395 360 1HD LYS 29 1HD LYS 29 -3.784 9.586 -6.848 361 2HD LYS 29 2HD LYS 29 -4.806 8.206 -7.249 362 1HE LYS 29 1HE LYS 29 -3.495 8.305 -9.157 363 2HE LYS 29 2HE LYS 29 -4.833 9.345 -9.644 364 1HZ LYS 29 1HZ LYS 29 -3.498 11.239 -8.740 365 2HZ LYS 29 2HZ LYS 29 -2.185 10.173 -8.602 366 3HZ LYS 29 3HZ LYS 29 -2.852 10.504 -10.128 Start of MODEL 26 1 1H GLY 1 1H GLY 1 -1.198 2.237 1.729 2 2H GLY 1 2H GLY 1 0.095 2.238 2.827 3 3H GLY 1 3H GLY 1 -1.062 3.481 2.879 4 1HA GLY 1 1HA GLY 1 -0.001 4.679 1.363 5 2HA GLY 1 2HA GLY 1 1.329 3.532 1.537 6 H ILE 2 H ILE 2 1.354 4.409 -0.888 7 HA ILE 2 HA ILE 2 0.620 2.170 -2.548 8 HB ILE 2 HB ILE 2 -1.328 4.321 -2.239 9 1HG1 ILE 2 1HG1 ILE 2 -1.663 1.809 -2.177 10 2HG1 ILE 2 2HG1 ILE 2 -2.796 2.684 -3.207 11 1HG2 ILE 2 1HG2 ILE 2 -0.138 3.860 -4.971 12 2HG2 ILE 2 2HG2 ILE 2 -1.836 4.300 -4.790 13 3HG2 ILE 2 3HG2 ILE 2 -0.576 5.385 -4.201 14 1HD1 ILE 2 1HD1 ILE 2 -0.244 1.418 -4.235 15 2HD1 ILE 2 2HD1 ILE 2 -1.810 0.609 -4.263 16 3HD1 ILE 2 3HD1 ILE 2 -1.566 2.088 -5.192 17 H VAL 3 H VAL 3 1.268 5.689 -2.615 18 HA VAL 3 HA VAL 3 2.939 5.332 -5.025 19 HB VAL 3 HB VAL 3 2.128 7.763 -3.413 20 1HG1 VAL 3 1HG1 VAL 3 4.421 8.045 -4.300 21 2HG1 VAL 3 2HG1 VAL 3 3.846 7.612 -5.910 22 3HG1 VAL 3 3HG1 VAL 3 3.278 9.093 -5.141 23 1HG2 VAL 3 1HG2 VAL 3 1.429 6.673 -6.153 24 2HG2 VAL 3 2HG2 VAL 3 0.338 6.948 -4.795 25 3HG2 VAL 3 3HG2 VAL 3 1.044 8.319 -5.651 26 H GLU 4 H GLU 4 3.332 5.312 -1.633 27 HA GLU 4 HA GLU 4 6.103 6.295 -1.691 28 1HB GLU 4 1HB GLU 4 4.535 4.951 0.531 29 2HB GLU 4 2HB GLU 4 6.103 5.737 0.709 30 1HG GLU 4 1HG GLU 4 4.974 7.832 -0.263 31 2HG GLU 4 2HG GLU 4 3.446 7.009 0.056 32 H GLN 5 H GLN 5 4.410 3.219 -1.745 33 HA GLN 5 HA GLN 5 6.948 1.738 -1.385 34 1HB GLN 5 1HB GLN 5 5.464 -0.277 -1.553 35 2HB GLN 5 2HB GLN 5 5.002 0.820 -0.252 36 1HG GLN 5 1HG GLN 5 3.659 1.717 -2.584 37 2HG GLN 5 2HG GLN 5 3.441 -0.033 -2.514 38 1HE2 GLN 5 2HE2 GLN 5 1.152 0.271 -1.899 39 2HE2 GLN 5 1HE2 GLN 5 0.738 0.762 -0.328 40 H CYS 6 H CYS 6 4.940 2.938 -3.913 41 HA CYS 6 HA CYS 6 6.190 1.073 -5.873 42 1HB CYS 6 1HB CYS 6 3.843 2.975 -6.109 43 2HB CYS 6 2HB CYS 6 4.487 2.031 -7.453 44 H CYS 7 H CYS 7 6.069 4.415 -4.854 45 HA CYS 7 HA CYS 7 7.574 5.309 -7.237 46 1HB CYS 7 1HB CYS 7 5.729 6.659 -6.029 47 2HB CYS 7 2HB CYS 7 6.958 6.987 -4.810 48 H HIS 8 H HIS 8 8.040 4.975 -3.720 49 HA HIS 8 HA HIS 8 10.879 5.729 -3.980 50 1HB HIS 8 1HB HIS 8 9.336 4.739 -1.562 51 2HB HIS 8 2HB HIS 8 10.948 5.453 -1.546 52 HD1 HIS 8 HD1 HIS 8 8.619 6.802 -0.002 53 HD2 HIS 8 HD2 HIS 8 9.721 7.805 -3.895 54 HE1 HIS 8 HE1 HIS 8 7.783 9.159 -0.398 55 H SER 9 H SER 9 9.451 3.109 -5.007 56 HA SER 9 HA SER 9 11.734 1.420 -4.837 57 1HB SER 9 1HB SER 9 11.050 -0.253 -3.242 58 2HB SER 9 2HB SER 9 10.962 1.306 -2.430 59 HG SER 9 HG SER 9 9.061 0.227 -2.031 60 H ILE 10 H ILE 10 11.012 -0.969 -5.433 61 HA ILE 10 HA ILE 10 9.022 -0.665 -7.615 62 HB ILE 10 HB ILE 10 11.030 -2.867 -7.050 63 1HG1 ILE 10 1HG1 ILE 10 11.539 -1.512 -9.485 64 2HG1 ILE 10 2HG1 ILE 10 11.256 -0.261 -8.273 65 1HG2 ILE 10 1HG2 ILE 10 8.960 -3.567 -8.297 66 2HG2 ILE 10 2HG2 ILE 10 9.351 -2.363 -9.524 67 3HG2 ILE 10 3HG2 ILE 10 10.441 -3.721 -9.242 68 1HD1 ILE 10 1HD1 ILE 10 12.825 -1.992 -6.864 69 2HD1 ILE 10 2HD1 ILE 10 13.472 -2.206 -8.491 70 3HD1 ILE 10 3HD1 ILE 10 13.447 -0.604 -7.754 71 H CYS 11 H CYS 11 7.125 -0.813 -6.218 72 HA CYS 11 HA CYS 11 6.675 -3.037 -4.457 73 1HB CYS 11 1HB CYS 11 4.293 -2.352 -4.570 74 2HB CYS 11 2HB CYS 11 5.351 -0.967 -4.314 75 H SER 12 H SER 12 3.954 -3.613 -5.851 76 HA SER 12 HA SER 12 4.630 -4.941 -8.326 77 1HB SER 12 1HB SER 12 4.050 -7.268 -7.125 78 2HB SER 12 2HB SER 12 5.703 -6.679 -7.270 79 HG SER 12 HG SER 12 4.092 -6.944 -5.060 80 H LEU 13 H LEU 13 2.536 -6.673 -6.152 81 HA LEU 13 HA LEU 13 0.154 -5.166 -7.041 82 1HB LEU 13 1HB LEU 13 0.772 -8.013 -7.831 83 2HB LEU 13 2HB LEU 13 -0.887 -7.418 -7.752 84 HG LEU 13 HG LEU 13 1.266 -5.983 -9.315 85 1HD1 LEU 13 1HD1 LEU 13 -0.691 -8.094 -10.277 86 2HD1 LEU 13 2HD1 LEU 13 0.316 -7.095 -11.325 87 3HD1 LEU 13 3HD1 LEU 13 1.066 -8.251 -10.225 88 1HD2 LEU 13 1HD2 LEU 13 -1.376 -5.352 -8.573 89 2HD2 LEU 13 2HD2 LEU 13 -0.391 -4.521 -9.777 90 3HD2 LEU 13 3HD2 LEU 13 -1.470 -5.825 -10.270 91 H TYR 14 H TYR 14 1.495 -7.895 -5.202 92 HA TYR 14 HA TYR 14 -0.745 -8.550 -3.634 93 1HB TYR 14 1HB TYR 14 2.139 -8.897 -3.451 94 2HB TYR 14 2HB TYR 14 1.419 -8.648 -1.861 95 HD1 TYR 14 HD1 TYR 14 -1.138 -9.863 -1.889 96 HD2 TYR 14 HD2 TYR 14 2.427 -11.167 -3.899 97 HE1 TYR 14 HE1 TYR 14 -2.001 -12.189 -1.912 98 HE2 TYR 14 HE2 TYR 14 1.565 -13.492 -3.922 99 HH TYR 14 HH TYR 14 -0.357 -14.755 -2.194 100 H GLN 15 H GLN 15 1.233 -5.694 -3.589 101 HA GLN 15 HA GLN 15 0.245 -4.831 -0.951 102 1HB GLN 15 1HB GLN 15 1.700 -3.093 -2.947 103 2HB GLN 15 2HB GLN 15 1.692 -2.972 -1.187 104 1HG GLN 15 1HG GLN 15 2.625 -5.585 -1.946 105 2HG GLN 15 2HG GLN 15 3.555 -4.362 -2.813 106 1HE2 GLN 15 2HE2 GLN 15 2.498 -5.280 0.496 107 2HE2 GLN 15 1HE2 GLN 15 3.799 -4.526 1.285 108 H LEU 16 H LEU 16 -0.395 -4.236 -4.365 109 HA LEU 16 HA LEU 16 -2.394 -2.152 -3.683 110 1HB LEU 16 1HB LEU 16 -2.018 -3.132 -6.481 111 2HB LEU 16 2HB LEU 16 -2.292 -1.491 -5.896 112 HG LEU 16 HG LEU 16 0.288 -3.067 -5.648 113 1HD1 LEU 16 1HD1 LEU 16 -0.572 -0.705 -7.337 114 2HD1 LEU 16 2HD1 LEU 16 1.120 -1.139 -7.086 115 3HD1 LEU 16 3HD1 LEU 16 0.031 -2.266 -7.895 116 1HD2 LEU 16 1HD2 LEU 16 -0.740 -0.967 -4.041 117 2HD2 LEU 16 2HD2 LEU 16 0.899 -1.617 -4.036 118 3HD2 LEU 16 3HD2 LEU 16 0.496 -0.251 -5.075 119 H GLU 17 H GLU 17 -2.410 -5.379 -3.539 120 HA GLU 17 HA GLU 17 -4.906 -5.879 -5.027 121 1HB GLU 17 1HB GLU 17 -2.838 -7.504 -4.520 122 2HB GLU 17 2HB GLU 17 -3.807 -7.867 -3.091 123 1HG GLU 17 1HG GLU 17 -5.611 -7.816 -5.266 124 2HG GLU 17 2HG GLU 17 -4.210 -8.739 -5.813 125 H ASN 18 H ASN 18 -3.952 -4.889 -1.877 126 HA ASN 18 HA ASN 18 -6.425 -5.857 -0.596 127 1HB ASN 18 1HB ASN 18 -4.789 -3.853 0.835 128 2HB ASN 18 2HB ASN 18 -5.394 -5.412 1.389 129 1HD2 ASN 18 2HD2 ASN 18 -4.121 -7.361 0.763 130 2HD2 ASN 18 1HD2 ASN 18 -2.479 -7.206 0.365 131 H TYR 19 H TYR 19 -5.591 -3.272 -2.556 132 HA TYR 19 HA TYR 19 -7.435 -1.371 -1.223 133 1HB TYR 19 1HB TYR 19 -5.950 -0.906 -3.809 134 2HB TYR 19 2HB TYR 19 -6.548 0.292 -2.661 135 HD1 TYR 19 HD1 TYR 19 -5.651 -1.380 -0.173 136 HD2 TYR 19 HD2 TYR 19 -3.640 -0.079 -3.739 137 HE1 TYR 19 HE1 TYR 19 -3.482 -1.440 1.028 138 HE2 TYR 19 HE2 TYR 19 -1.471 -0.138 -2.537 139 HH TYR 19 HH TYR 19 -1.310 -0.781 0.932 140 H CYS 20 H CYS 20 -7.720 -3.910 -3.325 141 HA CYS 20 HA CYS 20 -9.719 -2.639 -5.094 142 1HB CYS 20 1HB CYS 20 -8.359 -4.233 -6.223 143 2HB CYS 20 2HB CYS 20 -8.519 -5.409 -4.922 144 H ASN 21 H ASN 21 -11.944 -3.315 -5.103 145 HA ASN 21 HA ASN 21 -13.088 -3.713 -2.508 146 1HB ASN 21 1HB ASN 21 -15.206 -3.845 -3.642 147 2HB ASN 21 2HB ASN 21 -14.227 -2.674 -4.528 148 1HD2 ASN 21 2HD2 ASN 21 -14.082 -3.021 -6.731 149 2HD2 ASN 21 1HD2 ASN 21 -14.384 -4.498 -7.512 150 1H GLU 1 1H GLU 1 13.721 -4.412 -8.416 151 2H GLU 1 2H GLU 1 12.123 -4.104 -7.928 152 3H GLU 1 3H GLU 1 13.393 -4.003 -6.804 153 HA GLU 1 HA GLU 1 13.712 -6.297 -6.740 154 1HB GLU 1 1HB GLU 1 11.457 -5.280 -5.828 155 2HB GLU 1 2HB GLU 1 10.736 -6.214 -7.141 156 1HG GLU 1 1HG GLU 1 10.943 -8.111 -5.951 157 2HG GLU 1 2HG GLU 1 12.678 -7.843 -5.781 158 H VAL 2 H VAL 2 11.532 -5.423 -9.426 159 HA VAL 2 HA VAL 2 12.823 -7.328 -11.189 160 HB VAL 2 HB VAL 2 11.337 -8.804 -9.764 161 1HG1 VAL 2 1HG1 VAL 2 9.502 -6.746 -10.192 162 2HG1 VAL 2 2HG1 VAL 2 8.921 -8.058 -11.219 163 3HG1 VAL 2 3HG1 VAL 2 9.147 -8.325 -9.490 164 1HG2 VAL 2 1HG2 VAL 2 11.720 -8.726 -12.574 165 2HG2 VAL 2 2HG2 VAL 2 11.334 -10.134 -11.583 166 3HG2 VAL 2 3HG2 VAL 2 10.038 -9.185 -12.311 167 H ASN 3 H ASN 3 11.906 -4.471 -11.012 168 HA ASN 3 HA ASN 3 11.071 -4.168 -13.740 169 1HB ASN 3 1HB ASN 3 8.960 -4.298 -11.653 170 2HB ASN 3 2HB ASN 3 8.822 -2.977 -12.815 171 1HD2 ASN 3 2HD2 ASN 3 7.969 -6.197 -12.344 172 2HD2 ASN 3 1HD2 ASN 3 7.735 -6.646 -13.964 173 H GLN 4 H GLN 4 9.632 -2.064 -11.348 174 HA GLN 4 HA GLN 4 11.874 -0.314 -10.964 175 1HB GLN 4 1HB GLN 4 10.466 -0.063 -13.481 176 2HB GLN 4 2HB GLN 4 10.275 1.408 -12.524 177 1HG GLN 4 1HG GLN 4 12.994 0.474 -12.317 178 2HG GLN 4 2HG GLN 4 12.546 0.616 -14.018 179 1HE2 GLN 4 2HE2 GLN 4 13.563 2.406 -11.289 180 2HE2 GLN 4 1HE2 GLN 4 13.220 3.958 -11.885 181 H HIS 5 H HIS 5 10.932 1.985 -10.275 182 HA HIS 5 HA HIS 5 8.815 1.388 -8.314 183 1HB HIS 5 1HB HIS 5 9.747 4.176 -8.496 184 2HB HIS 5 2HB HIS 5 9.676 3.106 -7.098 185 HD1 HIS 5 HD1 HIS 5 11.664 1.211 -7.051 186 HD2 HIS 5 HD2 HIS 5 12.310 4.540 -9.475 187 HE1 HIS 5 HE1 HIS 5 14.150 1.275 -7.533 188 H LEU 6 H LEU 6 7.041 1.151 -9.862 189 HA LEU 6 HA LEU 6 6.221 2.987 -11.801 190 1HB LEU 6 1HB LEU 6 4.785 1.101 -9.985 191 2HB LEU 6 2HB LEU 6 3.813 2.315 -10.817 192 HG LEU 6 HG LEU 6 4.682 1.590 -12.978 193 1HD1 LEU 6 1HD1 LEU 6 6.948 0.941 -12.021 194 2HD1 LEU 6 2HD1 LEU 6 6.200 -0.563 -11.484 195 3HD1 LEU 6 3HD1 LEU 6 6.283 -0.185 -13.204 196 1HD2 LEU 6 1HD2 LEU 6 3.783 -0.735 -11.242 197 2HD2 LEU 6 2HD2 LEU 6 2.727 0.388 -12.099 198 3HD2 LEU 6 3HD2 LEU 6 3.756 -0.721 -13.006 199 H CYS 7 H CYS 7 5.930 5.160 -11.614 200 HA CYS 7 HA CYS 7 4.624 6.183 -9.133 201 1HB CYS 7 1HB CYS 7 7.212 6.486 -9.258 202 2HB CYS 7 2HB CYS 7 6.848 7.716 -10.467 203 H GLY 8 H GLY 8 2.921 7.480 -9.626 204 1HA GLY 8 1HA GLY 8 2.044 9.427 -10.873 205 2HA GLY 8 2HA GLY 8 2.915 8.837 -12.290 206 H SER 9 H SER 9 1.187 8.478 -13.682 207 HA SER 9 HA SER 9 -1.243 7.134 -12.779 208 1HB SER 9 1HB SER 9 -1.195 8.800 -14.660 209 2HB SER 9 2HB SER 9 -0.285 7.633 -15.616 210 HG SER 9 HG SER 9 -2.727 7.721 -15.745 211 H GLU 10 H GLU 10 1.862 6.128 -13.891 212 HA GLU 10 HA GLU 10 1.138 3.634 -15.102 213 1HB GLU 10 1HB GLU 10 3.504 2.965 -14.454 214 2HB GLU 10 2HB GLU 10 3.379 4.441 -15.410 215 1HG GLU 10 1HG GLU 10 3.124 5.289 -12.750 216 2HG GLU 10 2HG GLU 10 4.418 4.091 -12.725 217 H LEU 11 H LEU 11 1.042 4.730 -11.854 218 HA LEU 11 HA LEU 11 1.206 2.026 -10.698 219 1HB LEU 11 1HB LEU 11 2.057 4.082 -9.499 220 2HB LEU 11 2HB LEU 11 0.382 4.611 -9.343 221 HG LEU 11 HG LEU 11 1.331 3.342 -7.342 222 1HD1 LEU 11 1HD1 LEU 11 -1.202 3.391 -8.454 223 2HD1 LEU 11 2HD1 LEU 11 -0.920 1.668 -8.207 224 3HD1 LEU 11 3HD1 LEU 11 -0.808 2.784 -6.846 225 1HD2 LEU 11 1HD2 LEU 11 2.531 1.658 -8.798 226 2HD2 LEU 11 2HD2 LEU 11 1.543 0.941 -7.526 227 3HD2 LEU 11 3HD2 LEU 11 0.956 0.965 -9.188 228 H VAL 12 H VAL 12 -1.261 4.562 -11.163 229 HA VAL 12 HA VAL 12 -3.442 3.062 -10.063 230 HB VAL 12 HB VAL 12 -3.328 5.580 -10.666 231 1HG1 VAL 12 1HG1 VAL 12 -2.865 4.692 -13.181 232 2HG1 VAL 12 2HG1 VAL 12 -4.617 4.874 -13.244 233 3HG1 VAL 12 3HG1 VAL 12 -3.600 6.255 -12.835 234 1HG2 VAL 12 1HG2 VAL 12 -5.358 4.066 -9.980 235 2HG2 VAL 12 2HG2 VAL 12 -5.669 5.675 -10.633 236 3HG2 VAL 12 3HG2 VAL 12 -5.835 4.256 -11.668 237 H GLU 13 H GLU 13 -1.914 3.095 -13.231 238 HA GLU 13 HA GLU 13 -3.977 1.678 -14.644 239 1HB GLU 13 1HB GLU 13 -0.984 1.863 -15.107 240 2HB GLU 13 2HB GLU 13 -2.104 1.088 -16.228 241 1HG GLU 13 1HG GLU 13 -2.311 3.969 -15.304 242 2HG GLU 13 2HG GLU 13 -1.628 3.457 -16.847 243 H ALA 14 H ALA 14 -1.341 0.698 -12.548 244 HA ALA 14 HA ALA 14 -1.733 -2.159 -13.158 245 1HB ALA 14 1HB ALA 14 0.504 -1.023 -12.480 246 2HB ALA 14 2HB ALA 14 -0.144 -1.056 -10.840 247 3HB ALA 14 3HB ALA 14 0.101 -2.564 -11.720 248 H LEU 15 H LEU 15 -2.827 0.249 -10.932 249 HA LEU 15 HA LEU 15 -3.718 -1.490 -8.820 250 1HB LEU 15 1HB LEU 15 -4.002 1.334 -9.581 251 2HB LEU 15 2HB LEU 15 -5.435 0.683 -8.791 252 HG LEU 15 HG LEU 15 -2.609 0.469 -7.716 253 1HD1 LEU 15 1HD1 LEU 15 -4.246 2.699 -7.737 254 2HD1 LEU 15 2HD1 LEU 15 -4.612 1.962 -6.177 255 3HD1 LEU 15 3HD1 LEU 15 -2.950 2.397 -6.579 256 1HD2 LEU 15 1HD2 LEU 15 -5.321 -0.408 -6.693 257 2HD2 LEU 15 2HD2 LEU 15 -3.879 -1.396 -6.929 258 3HD2 LEU 15 3HD2 LEU 15 -3.931 -0.211 -5.625 259 H GLU 16 H GLU 16 -4.936 -0.667 -11.963 260 HA GLU 16 HA GLU 16 -7.628 -1.734 -11.374 261 1HB GLU 16 1HB GLU 16 -8.129 -1.133 -13.706 262 2HB GLU 16 2HB GLU 16 -7.390 0.231 -12.869 263 1HG GLU 16 1HG GLU 16 -5.473 0.130 -14.112 264 2HG GLU 16 2HG GLU 16 -5.509 -1.630 -14.208 265 H LEU 17 H LEU 17 -4.583 -2.861 -12.433 266 HA LEU 17 HA LEU 17 -5.640 -5.094 -14.020 267 1HB LEU 17 1HB LEU 17 -3.061 -3.879 -13.551 268 2HB LEU 17 2HB LEU 17 -2.965 -5.617 -13.266 269 HG LEU 17 HG LEU 17 -2.546 -4.919 -15.663 270 1HD1 LEU 17 1HD1 LEU 17 -4.317 -6.979 -14.622 271 2HD1 LEU 17 2HD1 LEU 17 -4.748 -6.540 -16.274 272 3HD1 LEU 17 3HD1 LEU 17 -3.113 -7.089 -15.905 273 1HD2 LEU 17 1HD2 LEU 17 -4.906 -3.433 -15.197 274 2HD2 LEU 17 2HD2 LEU 17 -4.028 -3.586 -16.718 275 3HD2 LEU 17 3HD2 LEU 17 -5.348 -4.695 -16.347 276 H VAL 18 H VAL 18 -5.150 -4.378 -10.730 277 HA VAL 18 HA VAL 18 -4.947 -7.249 -9.992 278 HB VAL 18 HB VAL 18 -5.122 -5.690 -7.649 279 1HG1 VAL 18 1HG1 VAL 18 -2.820 -6.951 -9.151 280 2HG1 VAL 18 2HG1 VAL 18 -2.659 -6.292 -7.522 281 3HG1 VAL 18 3HG1 VAL 18 -3.747 -7.648 -7.822 282 1HG2 VAL 18 1HG2 VAL 18 -4.680 -3.684 -9.057 283 2HG2 VAL 18 2HG2 VAL 18 -3.349 -4.017 -7.950 284 3HG2 VAL 18 3HG2 VAL 18 -3.209 -4.451 -9.653 285 H CYS 19 H CYS 19 -7.133 -4.494 -9.895 286 HA CYS 19 HA CYS 19 -9.120 -6.012 -8.321 287 1HB CYS 19 1HB CYS 19 -8.651 -3.447 -8.193 288 2HB CYS 19 2HB CYS 19 -9.621 -3.361 -9.661 289 H GLY 20 H GLY 20 -9.122 -4.323 -11.488 290 1HA GLY 20 1HA GLY 20 -9.741 -5.890 -13.430 291 2HA GLY 20 2HA GLY 20 -11.112 -6.350 -12.420 292 H GLU 21 H GLU 21 -12.673 -5.553 -13.903 293 HA GLU 21 HA GLU 21 -12.557 -2.712 -14.688 294 1HB GLU 21 1HB GLU 21 -13.388 -4.571 -16.220 295 2HB GLU 21 2HB GLU 21 -14.807 -4.680 -15.176 296 1HG GLU 21 1HG GLU 21 -14.394 -1.923 -15.767 297 2HG GLU 21 2HG GLU 21 -14.300 -2.813 -17.288 298 H ARG 22 H ARG 22 -13.034 -3.851 -11.839 299 HA ARG 22 HA ARG 22 -15.717 -2.779 -11.239 300 1HB ARG 22 1HB ARG 22 -13.563 -3.999 -9.483 301 2HB ARG 22 2HB ARG 22 -15.144 -3.476 -8.899 302 1HG ARG 22 1HG ARG 22 -14.885 -5.425 -11.190 303 2HG ARG 22 2HG ARG 22 -14.878 -5.971 -9.513 304 1HD ARG 22 1HD ARG 22 -17.029 -4.062 -10.093 305 2HD ARG 22 2HD ARG 22 -17.144 -5.547 -11.037 306 HE ARG 22 HE ARG 22 -16.661 -6.446 -8.465 307 1HH1 ARG 22 1HH1 ARG 22 -18.917 -4.313 -9.978 308 2HH1 ARG 22 2HH1 ARG 22 -20.189 -4.654 -8.854 309 1HH2 ARG 22 1HH2 ARG 22 -18.314 -6.900 -6.997 310 2HH2 ARG 22 2HH2 ARG 22 -19.849 -6.116 -7.169 311 H GLY 23 H GLY 23 -12.539 -2.264 -9.688 312 1HA GLY 23 1HA GLY 23 -11.833 0.262 -10.045 313 2HA GLY 23 2HA GLY 23 -13.339 0.548 -9.169 314 H PHE 24 H PHE 24 -11.181 1.516 -7.926 315 HA PHE 24 HA PHE 24 -10.976 -0.197 -5.543 316 1HB PHE 24 1HB PHE 24 -8.362 0.301 -5.679 317 2HB PHE 24 2HB PHE 24 -9.056 -1.125 -6.450 318 HD1 PHE 24 HD1 PHE 24 -9.559 -1.108 -8.895 319 HD2 PHE 24 HD2 PHE 24 -7.454 2.108 -6.977 320 HE1 PHE 24 HE1 PHE 24 -8.785 -0.294 -11.107 321 HE2 PHE 24 HE2 PHE 24 -6.681 2.922 -9.188 322 HZ PHE 24 HZ PHE 24 -7.346 1.720 -11.252 323 H PHE 25 H PHE 25 -9.386 1.068 -3.933 324 HA PHE 25 HA PHE 25 -10.266 3.916 -4.050 325 1HB PHE 25 1HB PHE 25 -9.208 2.443 -1.628 326 2HB PHE 25 2HB PHE 25 -10.119 3.952 -1.663 327 HD1 PHE 25 HD1 PHE 25 -12.403 3.629 -3.217 328 HD2 PHE 25 HD2 PHE 25 -10.435 0.631 -0.852 329 HE1 PHE 25 HE1 PHE 25 -14.525 2.355 -3.068 330 HE2 PHE 25 HE2 PHE 25 -12.558 -0.643 -0.703 331 HZ PHE 25 HZ PHE 25 -14.603 0.219 -1.809 332 H TYR 26 H TYR 26 -8.531 4.720 -5.338 333 HA TYR 26 HA TYR 26 -5.778 4.123 -4.923 334 1HB TYR 26 1HB TYR 26 -6.891 5.418 -6.866 335 2HB TYR 26 2HB TYR 26 -6.770 6.831 -5.817 336 HD1 TYR 26 HD1 TYR 26 -4.555 7.658 -5.066 337 HD2 TYR 26 HD2 TYR 26 -4.929 4.431 -7.880 338 HE1 TYR 26 HE1 TYR 26 -2.174 7.935 -5.702 339 HE2 TYR 26 HE2 TYR 26 -2.548 4.708 -8.513 340 HH TYR 26 HH TYR 26 -0.849 6.731 -8.431 341 H GLU 27 H GLU 27 -7.333 7.225 -4.031 342 HA GLU 27 HA GLU 27 -6.548 7.103 -1.278 343 1HB GLU 27 1HB GLU 27 -4.530 8.036 -3.198 344 2HB GLU 27 2HB GLU 27 -4.845 9.184 -1.896 345 1HG GLU 27 1HG GLU 27 -4.711 6.473 -0.870 346 2HG GLU 27 2HG GLU 27 -3.238 6.887 -1.748 347 HA PRO 28 HA PRO 28 -9.453 10.472 -2.837 348 1HB PRO 28 1HB PRO 28 -11.637 9.338 -1.460 349 2HB PRO 28 2HB PRO 28 -11.359 9.279 -3.206 350 1HG PRO 28 1HG PRO 28 -11.113 7.130 -1.245 351 2HG PRO 28 2HG PRO 28 -11.096 7.025 -3.011 352 1HD PRO 28 1HD PRO 28 -8.865 6.777 -1.246 353 2HD PRO 28 2HD PRO 28 -8.836 6.811 -3.018 354 H LYS 29 H LYS 29 -7.977 11.517 -1.152 355 HA LYS 29 HA LYS 29 -9.321 11.586 1.518 356 1HB LYS 29 1HB LYS 29 -7.124 12.308 2.422 357 2HB LYS 29 2HB LYS 29 -7.021 10.730 1.640 358 1HG LYS 29 1HG LYS 29 -5.879 11.572 -0.214 359 2HG LYS 29 2HG LYS 29 -6.480 13.211 0.036 360 1HD LYS 29 1HD LYS 29 -5.126 12.969 2.322 361 2HD LYS 29 2HD LYS 29 -4.206 11.804 1.368 362 1HE LYS 29 1HE LYS 29 -4.454 13.902 -0.390 363 2HE LYS 29 2HE LYS 29 -4.303 14.737 1.156 364 1HZ LYS 29 1HZ LYS 29 -2.380 13.093 1.539 365 2HZ LYS 29 2HZ LYS 29 -2.411 12.894 -0.147 366 3HZ LYS 29 3HZ LYS 29 -2.122 14.427 0.525
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